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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 A0A2K5ZGH9, Species MANLE (Mandrillus leucophaeus, Drill), Gene TUBB1, Length 451 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.8Low90.8Very high143 Ų14335.1 Ų35.170%0.70416%0.158SC*.  0172.90-73167.8-97.800107.2E3 D128 C129M1-E3 WeakPolarHBondContact CB-OE1 3.29Å; M1-D128 VanDerWaalsContact CE-OD2 3.29Å; M1-D128 WeakPolarHBondContact CE-OD2 3.17Å; M1-C129 WeakPolarHBondContact O-CB 3.29Å
2R82.3Confident90.9Very high121 Ų12134.5 Ų34.546%0.45716%0.161SC..  trans-144.687.6-170.4-66.4-173.2173-175.6-13.2109.9C129 Q131 D249R2-C129 WeakPolarHBondContact CA-O 3.47Å; R2-Q131 HydrophobicContact CB-CG 3.64Å; R2-Q131 HydrophobicContact CG-CG 4.42Å; R2-Q131 PolarHBondContact O-NE2 3.15Å; R2-D249 IonicContact CZ-OD2 3.43Å; R2-D249 VanDerWaalsContact NH1-CB 3.26Å; R2-D249 IonicContact NH1-OD2 2.72Å; R2-D249 PolarHBondContact NH1-OD2 3.14Å; R2-D249 IonicContact NH2-OD2 3.46Å; R2-D249 PolarHBondContact NH2-OD2 3.08Å
3E92.8Very high91.2Very high5 Ų531.8 Ų31.82%0.02315%0.148CC..EExtended strand (participates in β ladder)trans-86.2153-168.8-58.769.5-146.100112.3M1 C127 D128 C129 Q131M1-E3 WeakPolarHBondContact CB-OE1 3.29Å; E3-C127 HydrophobicContact CB-CB 3.91Å; E3-C127 VanDerWaalsContact CB-SG 3.58Å; E3-C127 HydrophobicContact CG-CB 4Å; E3-D128 PolarHBondContact OE2-N 2.63Å; E3-C129 PolarHBondContact N-O 3.35Å; E3-C129 WeakPolarHBondContact OE2-CA 3.42Å; E3-C129 PolarHBondContact OE2-N 2.85Å; E3-Q131 WeakPolarHBondContact O-CB 3.31Å; E3-Q131 PolarHBondContact O-N 3.3Å
4I95Very high91.4Very high0 Ų029.6 Ų29.60%014%0.138CC..EExtended strand (participates in β ladder)trans-128.3126.2174.2-63.6170000108.3V49 Y50 R62 Q131 Q134 L240 L250I4-V49 HydrophobicContact CD1-CG1 3.73Å; I4-V49 HydrophobicContact CG1-CG1 4.06Å; I4-V49 PolarHBondContact N-O 3.49Å; I4-Y50 HydrophobicContact CB-CE1 4.35Å; I4-Y50 HydrophobicContact CD1-CE2 4.27Å; I4-Y50 HydrophobicContact CG2-CE1 4.15Å; I4-R62 VanDerWaalsContact O-CD 3.31Å; I4-R62 WeakPolarHBondContact O-CD 3.47Å; I4-Q131 HydrophobicContact CG1-CB 4.2Å; I4-Q134 HydrophobicContact CG2-CB 3.93Å; I4-L240 HydrophobicContact CD1-CD1 3.73Å; I4-L250 HydrophobicContact CD1-CD1 3.71Å; I4-L250 HydrophobicContact CD1-CD2 4.35Å; I4-L250 HydrophobicContact CD1-CG 4.01Å; I4-L250 HydrophobicContact CG1-CD1 3.9Å
5V96.4Very high91.5Very high0 Ų032.2 Ų32.20%015%0.15CC..EExtended strand (participates in β ladder)trans-87.3120.9171.9177.50000108.7I7 R62 V64 E123 L130 G132 F133 Q134V5-I7 HydrophobicContact CG1-CG1 4.18Å; V5-R62 HydrophobicContact CG2-CG 4.09Å; V5-V64 HydrophobicContact CG1-CG2 4.36Å; V5-E123 HydrophobicContact CG1-CB 4.32Å; V5-E123 HydrophobicContact CG2-CB 4.13Å; V5-L130 HydrophobicContact CB-CD1 4.46Å; V5-L130 HydrophobicContact CG2-CD1 3.75Å; V5-G132 PolarHBondContact N-O 3.19Å; V5-F133 HydrophobicContact CB-CD1 3.78Å; V5-F133 HydrophobicContact CB-CE1 4.04Å; V5-F133 HydrophobicContact CG1-CD1 4.12Å; V5-F133 HydrophobicContact CG1-CE1 4.35Å; V5-F133 HydrophobicContact CG2-CE1 4.35Å; V5-F133 WeakPolarHBondContact O-CA 3.39Å; V5-Q134 PolarHBondContact O-N 3.33Å
6H97.1Very high91.6Very high0 Ų030.3 Ų30.30%014%0.141CC..EExtended strand (participates in β ladder)trans-97130.8179.3-173.783.1000110.4Q8 F20 W21 R62 A63 V64 Q134 V136H6-Q8 PolarHBondContact CD2-NE2 2.76Å; H6-Q8 WeakPolarHBondContact NE2-CG 3.45Å; H6-Q8 PolarHBondContact NE2-NE2 3.33Å; H6-F20 AromaticContact CE1-CD1 3.78Å; H6-F20 AromaticContact CE1-CE1 3.9Å; H6-W21 HydrophobicContact CB-CZ2 3.74Å; H6-W21 AromaticContact CD2-CE2 3.95Å; H6-W21 AromaticContact CD2-CZ2 3.95Å; H6-W21 AromaticContact CD2-NE1 3.46Å; H6-W21 PolarHBondContact CD2-NE1 2.77Å; H6-W21 AromaticContact CG-CZ2 3.94Å; H6-W21 AromaticContact NE2-NE1 3.87Å; H6-R62 WeakPolarHBondContact CB-O 3.49Å; H6-R62 PolarHBondContact N-O 2.87Å; H6-A63 CarbonylContact O-C 3.58Å; H6-A63 VanDerWaalsContact O-CA 3.23Å; H6-A63 WeakPolarHBondContact O-CA 3.47Å; H6-V64 PolarHBondContact O-N 3.37Å; H6-Q134 CarbonylContact C-O 3.47Å; H6-Q134 WeakPolarHBondContact CA-O 2.97Å; H6-V136 WeakPolarHBondContact CE1-CG2 3.34Å
7I97.4Very high91.8Very high0 Ų028.5 Ų28.50%013%0.133CC..EExtended strand (participates in β ladder)trans-125.6127.4-176.9-51173.5000108.7V5 I9 V64 V66 V120 F133 Q134 I135 V136 L151 I155V5-I7 HydrophobicContact CG1-CG1 4.18Å; I7-I9 HydrophobicContact CG2-CD1 3.96Å; I7-I9 HydrophobicContact CG2-CG1 3.78Å; I7-V64 WeakPolarHBondContact CA-O 3.46Å; I7-V64 HydrophobicContact CG1-CB 4.44Å; I7-V64 HydrophobicContact CG2-CB 4.44Å; I7-V66 HydrophobicContact CG2-CG2 4.42Å; I7-V120 HydrophobicContact CD1-CG1 4.46Å; I7-V120 HydrophobicContact CD1-CG2 3.88Å; I7-V120 HydrophobicContact CG1-CG2 4.46Å; I7-F133 HydrophobicContact CD1-CD1 4.07Å; I7-Q134 PolarHBondContact N-O 3.21Å; I7-I135 HydrophobicContact CB-CG1 4.21Å; I7-I135 HydrophobicContact CD1-CG1 4.34Å; I7-I135 CarbonylContact O-C 3.6Å; I7-I135 VanDerWaalsContact O-CA 3.32Å; I7-I135 WeakPolarHBondContact O-CA 3.49Å; I7-V136 PolarHBondContact O-N 2.79Å; I7-L151 HydrophobicContact CD1-CD2 4.24Å; I7-L151 HydrophobicContact CG2-CD2 3.78Å; I7-I155 HydrophobicContact CD1-CD1 3.53Å
8Q96.2Very high91.9Very high0 Ų027.8 Ų27.80%013%0.133CC..EExtended strand (participates in β ladder)trans-116124.4-179.5-62.2171.619.900108.9H6 N14 G17 V64 V66H6-Q8 PolarHBondContact CD2-NE2 2.76Å; H6-Q8 WeakPolarHBondContact NE2-CG 3.45Å; H6-Q8 PolarHBondContact NE2-NE2 3.33Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.42Å; Q8-G17 VanDerWaalsContact NE2-C 3.3Å; Q8-G17 PolarHBondContact NE2-O 3.15Å; Q8-V64 PolarHBondContact N-O 3.31Å; Q8-V66 PolarHBondContact O-N 3.49Å
9I95.7Very high91.9Very high1 Ų130.4 Ų30.41%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-127.5126.7-169.7-46.2176.5000110.6I7 V66 I135 V136 H137 T143 L151I7-I9 HydrophobicContact CG2-CD1 3.96Å; I7-I9 HydrophobicContact CG2-CG1 3.78Å; I9-V66 WeakPolarHBondContact CA-O 3.33Å; I9-V66 HydrophobicContact CG1-CB 4.44Å; I9-V66 HydrophobicContact CG2-CB 4.45Å; I9-I135 HydrophobicContact CD1-CG2 3.67Å; I9-I135 HydrophobicContact CG1-CG2 4.25Å; I9-V136 PolarHBondContact N-O 3.43Å; I9-H137 HydrophobicContact CB-CB 4.35Å; I9-T143 HydrophobicContact CG2-CG2 4.34Å; I9-L151 HydrophobicContact CD1-CB 4.45Å; I9-L151 HydrophobicContact CD1-CD2 3.63Å
10G94.4Very high92Very high1 Ų128.9 Ų28.91%0.0114%0.136CC..Hα-helixtrans70.9175.218000000113.6C12 G13 N14 V66G10-C12 PolarHBondContact O-N 3.45Å; G10-G13 PolarHBondContact O-N 3.46Å; G10-N14 WeakPolarHBondContact O-CB 3.49Å; G10-N14 PolarHBondContact O-N 2.72Å; G10-N14 PolarHBondContact O-ND2 3.26Å; G10-V66 PolarHBondContact N-O 3.15Å
11Q92.1Very high92.1Very high115 Ų11527.5 Ų27.554%0.53713%0.13SC..Hα-helixtrans-53.9-48.5-174.3-173.2-175.85.900113.7Q15 D67Q11-Q15 VanDerWaalsContact O-CG 3.29Å; Q11-Q15 WeakPolarHBondContact O-CG 3Å; Q11-Q15 PolarHBondContact O-N 3.28Å; Q11-Q15 VanDerWaalsContact O-N 3.11Å; Q11-D67 PolarHBondContact N-OD2 3.43Å
12C91.9Very high93.6Very high28 Ų2823.8 Ų23.819%0.18911%0.111CC..Hα-helixtrans-67.3-45.1-178.6-1780000112G10 N14 Q15 I16G10-C12 PolarHBondContact O-N 3.45Å; C12-N14 PolarHBondContact O-N 2.94Å; C12-Q15 PolarHBondContact O-N 3.29Å; C12-I16 WeakPolarHBondContact O-CG1 3.48Å; C12-I16 PolarHBondContact O-N 3.17Å; C12-I16 VanDerWaalsContact SG-CD1 3.58Å
13G93.9Very high94Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-60.5-44.8179.700000112.3G10 G17 V136G10-G13 PolarHBondContact O-N 3.46Å; G13-G17 WeakPolarHBondContact O-CA 3.4Å; G13-G17 PolarHBondContact O-N 3.04Å; G13-V136 VanDerWaalsContact CA-O 3.32Å; G13-V136 WeakPolarHBondContact CA-O 3.37Å
14N94.5Very high94Very high0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-65.2-38.9177.3-79.3-56.2000112.9Q8 G10 C12 A18 V66 T72 I76Q8-N14 WeakPolarHBondContact CB-OD1 3.42Å; G10-N14 WeakPolarHBondContact O-CB 3.49Å; G10-N14 PolarHBondContact O-N 2.72Å; G10-N14 PolarHBondContact O-ND2 3.26Å; C12-N14 PolarHBondContact O-N 2.94Å; N14-A18 VanDerWaalsContact O-CB 3.29Å; N14-A18 WeakPolarHBondContact O-CB 3.3Å; N14-A18 PolarHBondContact O-N 3.1Å; N14-V66 PolarHBondContact ND2-O 3.24Å; N14-T72 HydrophobicContact CB-CG2 3.61Å; N14-I76 HydrophobicContact CB-CD1 3.64Å
15Q92.9Very high93.8Very high69 Ų6919 Ų1932%0.32210%0.095SC..Hα-helixtrans-68.3-45.5176.7-73.4177.926.600113Q11 C12 G17 K19Q11-Q15 VanDerWaalsContact O-CG 3.29Å; Q11-Q15 WeakPolarHBondContact O-CG 3Å; Q11-Q15 PolarHBondContact O-N 3.28Å; Q11-Q15 VanDerWaalsContact O-N 3.11Å; C12-Q15 PolarHBondContact O-N 3.29Å; Q15-G17 VanDerWaalsContact C-N 3.35Å; Q15-K19 PolarHBondContact O-N 3.48Å
16I93.9Very high93.4Very high2 Ų222.6 Ų22.61%0.0111%0.112CC..Hα-helixtrans-65.4-44.3177.3-70168.9000109.8C12 K19 F20 V136 V169 N226 V229 M233C12-I16 WeakPolarHBondContact O-CG1 3.48Å; C12-I16 PolarHBondContact O-N 3.17Å; C12-I16 VanDerWaalsContact SG-CD1 3.58Å; I16-K19 PolarHBondContact O-N 3.39Å; I16-F20 PolarHBondContact O-N 3.38Å; I16-V136 HydrophobicContact CB-CG1 4.08Å; I16-V136 HydrophobicContact CG2-CG1 3.8Å; I16-V169 HydrophobicContact CD1-CG2 3.45Å; I16-V169 VanDerWaalsContact CD1-CG2 3.45Å; I16-N226 HydrophobicContact CG1-CB 4.48Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.4Å; I16-V229 HydrophobicContact CD1-CG1 4.26Å; I16-V229 HydrophobicContact CG1-CG1 4.44Å; I16-V229 HydrophobicContact CG2-CB 4.23Å; I16-V229 HydrophobicContact CG2-CG1 3.46Å; I16-V229 VanDerWaalsContact CG2-CG1 3.46Å; I16-M233 HydrophobicContact CG2-SD 3.49Å; I16-M233 WeakPolarHBondContact CG2-SD 3.48Å
17G93.9Very high93Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-62.7-41.517900000113.1Q8 G13 Q15 K19 F20 W21Q8-G17 VanDerWaalsContact NE2-C 3.3Å; Q8-G17 PolarHBondContact NE2-O 3.15Å; G13-G17 WeakPolarHBondContact O-CA 3.4Å; G13-G17 PolarHBondContact O-N 3.04Å; Q15-G17 VanDerWaalsContact C-N 3.35Å; G17-K19 VanDerWaalsContact C-N 3.32Å; G17-K19 PolarHBondContact O-N 2.97Å; G17-F20 WeakPolarHBondContact O-CB 3.43Å; G17-F20 PolarHBondContact O-N 3.2Å; G17-W21 PolarHBondContact O-N 3.33Å
18A93.1Very high92.7Very high16 Ų1623.1 Ų23.113%0.13211%0.114CC..Hα-helixtrans-58.3-43.8172.100000111.7N14 W21 E22 L81N14-A18 VanDerWaalsContact O-CB 3.29Å; N14-A18 WeakPolarHBondContact O-CB 3.3Å; N14-A18 PolarHBondContact O-N 3.1Å; A18-W21 PolarHBondContact O-N 3.37Å; A18-E22 PolarHBondContact O-N 3.46Å; A18-L81 WeakPolarHBondContact O-CD1 3.41Å
19K92.4Very high92.3Very high77 Ų7723.8 Ų23.834%0.33512%0.122SC..Hα-helixtrans-66.4-36.1175.5-74.4-73.7164-161.40112.9Q15 I16 G17 E22 M23 N226Q15-K19 PolarHBondContact O-N 3.48Å; I16-K19 PolarHBondContact O-N 3.39Å; G17-K19 VanDerWaalsContact C-N 3.32Å; G17-K19 PolarHBondContact O-N 2.97Å; K19-E22 WeakPolarHBondContact CD-OE2 3.4Å; K19-E22 IonicContact NZ-OE1 3.45Å; K19-E22 IonicContact NZ-OE2 3.65Å; K19-E22 PolarHBondContact NZ-OE2 2.78Å; K19-E22 WeakPolarHBondContact O-CB 3.31Å; K19-E22 PolarHBondContact O-N 3.44Å; K19-M23 VanDerWaalsContact O-CG 3.28Å; K19-M23 WeakPolarHBondContact O-CG 3.38Å; K19-M23 PolarHBondContact O-N 3.36Å; K19-N226 HydrophobicContact CG-CB 4.19Å
20F94.6Very high91.9Very high0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-61.1-47.7173.7170.2-106.5000111.5H6 I16 G17 E22 M23 I24 Y50 M233 T237H6-F20 AromaticContact CE1-CD1 3.78Å; H6-F20 AromaticContact CE1-CE1 3.9Å; I16-F20 PolarHBondContact O-N 3.38Å; G17-F20 WeakPolarHBondContact O-CB 3.43Å; G17-F20 PolarHBondContact O-N 3.2Å; F20-E22 PolarHBondContact O-N 3.36Å; F20-M23 PolarHBondContact O-N 2.75Å; F20-I24 HydrophobicContact CD1-CD1 4.34Å; F20-I24 HydrophobicContact CD2-CG2 4.01Å; F20-I24 HydrophobicContact CE1-CD1 3.7Å; F20-I24 HydrophobicContact CE2-CD1 4.46Å; F20-I24 HydrophobicContact CE2-CG2 3.61Å; F20-I24 HydrophobicContact CZ-CD1 3.77Å; F20-I24 HydrophobicContact CZ-CG2 3.97Å; F20-I24 WeakPolarHBondContact O-CG1 3.25Å; F20-I24 PolarHBondContact O-N 3.48Å; F20-Y50 HydrophobicContact CE1-CD1 4.39Å; F20-Y50 HydrophobicContact CE1-CE1 4.11Å; F20-Y50 HydrophobicContact CZ-CE1 4.02Å; F20-M233 HydrophobicContact CB-CE 4.01Å; F20-M233 HydrophobicContact CB-SD 4.25Å; F20-M233 HydrophobicContact CD1-CE 4.26Å; F20-M233 HydrophobicContact CD2-CB 3.59Å; F20-M233 HydrophobicContact CD2-CE 3.89Å; F20-M233 HydrophobicContact CD2-SD 4.4Å; F20-M233 HydrophobicContact CE2-CB 3.96Å; F20-M233 HydrophobicContact CE2-CE 4.42Å; F20-M233 HydrophobicContact CG-CE 3.79Å; F20-M233 HydrophobicContact CG-SD 4.48Å; F20-T237 HydrophobicContact CE2-CG2 4.34Å; F20-T237 HydrophobicContact CZ-CG2 4.34Å
21W94.2Very high91.5Very high0 Ų025.7 Ų25.70%013%0.131CC..Hα-helixtrans-64.6-37.1176.8-72.4112.3000113.2H6 G17 A18 I24 G25 Y50 Y51 P61 A63 F85H6-W21 HydrophobicContact CB-CZ2 3.74Å; H6-W21 AromaticContact CD2-CE2 3.95Å; H6-W21 AromaticContact CD2-CZ2 3.95Å; H6-W21 AromaticContact CD2-NE1 3.46Å; H6-W21 PolarHBondContact CD2-NE1 2.77Å; H6-W21 AromaticContact CG-CZ2 3.94Å; H6-W21 AromaticContact NE2-NE1 3.87Å; G17-W21 PolarHBondContact O-N 3.33Å; A18-W21 PolarHBondContact O-N 3.37Å; W21-I24 HydrophobicContact CD2-CD1 4.37Å; W21-I24 HydrophobicContact CE3-CD1 3.6Å; W21-I24 HydrophobicContact CE3-CG1 4.04Å; W21-I24 HydrophobicContact CH2-CD1 4.45Å; W21-I24 HydrophobicContact CZ3-CD1 3.66Å; W21-G25 PolarHBondContact O-N 3.24Å; W21-Y50 AromaticContact CH2-CD1 3.85Å; W21-Y50 HydrophobicContact CH2-CD1 3.85Å; W21-Y50 HydrophobicContact CH2-CG 4.32Å; W21-Y50 VanDerWaalsContact CH2-O 3.3Å; W21-Y50 WeakPolarHBondContact CH2-O 3.25Å; W21-Y50 HydrophobicContact CZ2-CD1 4.47Å; W21-Y50 HydrophobicContact CZ3-CD1 4.46Å; W21-Y51 HydrophobicContact CE3-CE1 4.26Å; W21-Y51 AromaticContact CE3-CZ 3.92Å; W21-Y51 HydrophobicContact CZ3-CE1 4.11Å; W21-Y51 HydrophobicContact CZ3-CE2 4.04Å; W21-Y51 AromaticContact CZ3-CZ 3.82Å; W21-P61 HydrophobicContact CD2-CB 3.9Å; W21-P61 HydrophobicContact CD2-CG 4.27Å; W21-P61 HydrophobicContact CE3-CB 3.67Å; W21-P61 HydrophobicContact CE3-CG 3.89Å; W21-P61 HydrophobicContact CH2-CB 3.71Å; W21-P61 HydrophobicContact CZ2-CB 3.92Å; W21-P61 HydrophobicContact CZ3-CB 3.56Å; W21-P61 HydrophobicContact CZ3-CG 4.13Å; W21-A63 HydrophobicContact CZ2-CB 3.65Å; W21-F85 HydrophobicContact CB-CZ 3.96Å; W21-F85 AromaticContact CD1-CE1 3.54Å; W21-F85 AromaticContact CD1-CZ 3.42Å; W21-F85 VanDerWaalsContact CD1-CZ 3.42Å; W21-F85 HydrophobicContact CD2-CE1 4.24Å; W21-F85 AromaticContact CG-CE1 3.87Å; W21-F85 HydrophobicContact CG-CE1 3.87Å; W21-F85 AromaticContact CG-CZ 3.72Å; W21-F85 HydrophobicContact CG-CZ 3.72Å; W21-F85 AromaticContact NE1-CE1 3.73Å
22E91.4Very high91.1Very high65 Ų6524.1 Ų24.130%0.30413%0.126SC..Hα-helixtrans-55.2-53.7170.9-156.3174.418000110.4A18 K19 F20 G25 E26 L81A18-E22 PolarHBondContact O-N 3.46Å; K19-E22 WeakPolarHBondContact CD-OE2 3.4Å; K19-E22 IonicContact NZ-OE1 3.45Å; K19-E22 IonicContact NZ-OE2 3.65Å; K19-E22 PolarHBondContact NZ-OE2 2.78Å; K19-E22 WeakPolarHBondContact O-CB 3.31Å; K19-E22 PolarHBondContact O-N 3.44Å; F20-E22 PolarHBondContact O-N 3.36Å; E22-G25 PolarHBondContact O-N 3.28Å; E22-E26 VanDerWaalsContact O-CG 3.27Å; E22-E26 WeakPolarHBondContact O-CG 3.48Å; E22-E26 PolarHBondContact O-N 3.02Å; E22-L81 HydrophobicContact CB-CD1 3.82Å; E22-L81 HydrophobicContact CG-CD1 4.25Å
23M90.6Very high90.6Very high20 Ų2025.7 Ų25.710%0.09914%0.141CC..Hα-helixtrans-64.4-48.6-175.1-73.9-70.7-67.600112.5K19 F20 E26 E27 S230 L231K19-M23 VanDerWaalsContact O-CG 3.28Å; K19-M23 WeakPolarHBondContact O-CG 3.38Å; K19-M23 PolarHBondContact O-N 3.36Å; F20-M23 PolarHBondContact O-N 2.75Å; M23-E26 PolarHBondContact O-N 3.3Å; M23-E27 WeakPolarHBondContact O-CG 3.3Å; M23-E27 PolarHBondContact O-N 3.37Å; M23-S230 WeakPolarHBondContact CG-OG 3.28Å; M23-L231 HydrophobicContact CE-CD2 3.39Å; M23-L231 HydrophobicContact CE-CG 4.04Å
24I92.3Very high90.1Very high0 Ų025.8 Ų25.80%014%0.142CC..Hα-helixtrans-72.8-32.3-178.871.1171.9000111.7F20 W21 E26 E27 H28 Y50 Y51F20-I24 HydrophobicContact CD1-CD1 4.34Å; F20-I24 HydrophobicContact CD2-CG2 4.01Å; F20-I24 HydrophobicContact CE1-CD1 3.7Å; F20-I24 HydrophobicContact CE2-CD1 4.46Å; F20-I24 HydrophobicContact CE2-CG2 3.61Å; F20-I24 HydrophobicContact CZ-CD1 3.77Å; F20-I24 HydrophobicContact CZ-CG2 3.97Å; F20-I24 WeakPolarHBondContact O-CG1 3.25Å; F20-I24 PolarHBondContact O-N 3.48Å; W21-I24 HydrophobicContact CD2-CD1 4.37Å; W21-I24 HydrophobicContact CE3-CD1 3.6Å; W21-I24 HydrophobicContact CE3-CG1 4.04Å; W21-I24 HydrophobicContact CH2-CD1 4.45Å; W21-I24 HydrophobicContact CZ3-CD1 3.66Å; I24-E26 VanDerWaalsContact C-N 3.32Å; I24-E26 PolarHBondContact O-N 3.05Å; I24-E27 PolarHBondContact O-N 3.17Å; I24-H28 WeakPolarHBondContact O-CB 3.41Å; I24-H28 PolarHBondContact O-CD2 3.04Å; I24-H28 PolarHBondContact O-N 2.98Å; I24-Y50 HydrophobicContact CD1-CG 4.28Å; I24-Y51 HydrophobicContact CD1-CE2 4.27Å; I24-Y51 HydrophobicContact CG1-CE2 4.49Å
25G89.9Confident89.7Confident5 Ų527.8 Ų27.85%0.05216%0.156CC..Hα-helixtrans-59.1-46173.200000111W21 E22 E27 H28 G29 I30 Y51W21-G25 PolarHBondContact O-N 3.24Å; E22-G25 PolarHBondContact O-N 3.28Å; G25-E27 PolarHBondContact O-N 3.3Å; G25-H28 CarbonylContact O-C 3.58Å; G25-H28 PolarHBondContact O-N 3.07Å; G25-G29 PolarHBondContact O-N 3.28Å; G25-I30 PolarHBondContact O-N 2.82Å; G25-Y51 VanDerWaalsContact CA-OH 3.31Å; G25-Y51 WeakPolarHBondContact CA-OH 3.5Å; G25-Y51 PolarHBondContact N-OH 3.35Å
26E89.1Confident89.3Confident76 Ų7627.5 Ų27.536%0.35516%0.157SC..Hα-helixtrans-63.9-38.7174.5-69.1-175162.300113.4E22 M23 I24 H28 G29 R359E22-E26 VanDerWaalsContact O-CG 3.27Å; E22-E26 WeakPolarHBondContact O-CG 3.48Å; E22-E26 PolarHBondContact O-N 3.02Å; M23-E26 PolarHBondContact O-N 3.3Å; I24-E26 VanDerWaalsContact C-N 3.32Å; I24-E26 PolarHBondContact O-N 3.05Å; E26-H28 VanDerWaalsContact C-N 3.34Å; E26-G29 PolarHBondContact O-N 3.25Å; E26-R359 VanDerWaalsContact CG-NH1 3.31Å; E26-R359 IonicContact OE1-NH1 3.25Å; E26-R359 PolarHBondContact OE1-NH1 3.22Å; E26-R359 VanDerWaalsContact OE2-CD 3.22Å; E26-R359 WeakPolarHBondContact OE2-CD 3.46Å; E26-R359 IonicContact OE2-CZ 3.2Å; E26-R359 IonicContact OE2-NE 3.07Å; E26-R359 IonicContact OE2-NH1 2.75Å; E26-R359 PolarHBondContact OE2-NH1 2.96Å
27E89.4Confident88.8Confident9 Ų936.7 Ų36.74%0.04219%0.191CC..Hα-helixtrans-67.3-33.5176.3-74.4-173.5-173.900113.3M23 I24 G25 G29 Q43 S234 R241 F242 R318M23-E27 WeakPolarHBondContact O-CG 3.3Å; M23-E27 PolarHBondContact O-N 3.37Å; I24-E27 PolarHBondContact O-N 3.17Å; G25-E27 PolarHBondContact O-N 3.3Å; E27-G29 VanDerWaalsContact C-N 3.34Å; E27-Q43 PolarHBondContact O-NE2 2.85Å; E27-S234 PolarHBondContact OE1-OG 3.47Å; E27-S234 PolarHBondContact OE2-OG 3.18Å; E27-R241 IonicContact OE2-CZ 3.75Å; E27-R241 VanDerWaalsContact OE2-CZ 3.25Å; E27-R241 IonicContact OE2-NH1 2.79Å; E27-R241 PolarHBondContact OE2-NH1 3.41Å; E27-R241 IonicContact OE2-NH2 3.43Å; E27-R241 PolarHBondContact OE2-NH2 3.32Å; E27-F242 HydrophobicContact CB-CZ 4.17Å; E27-R318 IonicContact OE1-CZ 3.23Å; E27-R318 IonicContact OE1-NH1 2.7Å; E27-R318 PolarHBondContact OE1-NH1 3.5Å; E27-R318 IonicContact OE1-NH2 2.93Å; E27-R318 PolarHBondContact OE1-NH2 3.47Å; E27-R318 IonicContact OE2-CZ 3.69Å; E27-R318 IonicContact OE2-NH1 3.78Å; E27-R318 PolarHBondContact OE2-NH1 2.9Å; E27-R318 IonicContact OE2-NH2 3.89Å; E27-R318 PolarHBondContact OE2-NH2 2.94Å
28H89.4Confident87.9Confident1 Ų138 Ų381%0.00520%0.204CC..Hα-helixtrans-85.7-6.7175.2-74.2-73.8000113.2I24 G25 E26 I30 Q43 I47 R241 F242I24-H28 WeakPolarHBondContact O-CB 3.41Å; I24-H28 PolarHBondContact O-CD2 3.04Å; I24-H28 PolarHBondContact O-N 2.98Å; G25-H28 CarbonylContact O-C 3.58Å; G25-H28 PolarHBondContact O-N 3.07Å; E26-H28 VanDerWaalsContact C-N 3.34Å; H28-I30 VanDerWaalsContact C-N 3.31Å; H28-I30 HydrophobicContact CB-CD1 4.19Å; H28-I30 HydrophobicContact CB-CG1 4.25Å; H28-Q43 PolarHBondContact ND1-O 2.64Å; H28-I47 HydrophobicContact CB-CD1 3.58Å; H28-I47 WeakPolarHBondContact ND1-CD1 3.44Å; H28-R241 PolarHBondContact NE2-NH1 2.91Å; H28-F242 AromaticContact CE1-CE1 3.56Å; H28-F242 AromaticContact CE1-CZ 3.8Å; H28-F242 AromaticContact ND1-CE1 3.79Å
29G87.7Confident86.9Confident15 Ų1542.4 Ų42.416%0.15524%0.241CC..THydrogen-bonded Turntrans73.721.2-178.400000113.9G25 E26 E27 R37 G38G25-G29 PolarHBondContact O-N 3.28Å; E26-G29 PolarHBondContact O-N 3.25Å; E27-G29 VanDerWaalsContact C-N 3.34Å; G29-R37 CarbonylContact O-C 3.5Å; G29-R37 WeakPolarHBondContact O-CA 3.43Å; G29-R37 PolarHBondContact O-N 3.29Å; G29-G38 PolarHBondContact O-N 3.31Å
30I88.8Confident86.2Confident14 Ų1441.2 Ų41.27%0.07224%0.242CC..BIsolated β-bridgetrans-82.4126.9176.3-65171.3000108.9G25 H28 I47 Y51 Y59 L84G25-I30 PolarHBondContact O-N 2.82Å; H28-I30 VanDerWaalsContact C-N 3.31Å; H28-I30 HydrophobicContact CB-CD1 4.19Å; H28-I30 HydrophobicContact CB-CG1 4.25Å; I30-I47 HydrophobicContact CD1-CD1 3.65Å; I30-I47 HydrophobicContact CD1-CG1 4.08Å; I30-Y51 HydrophobicContact CD1-CD1 3.82Å; I30-Y51 HydrophobicContact CD1-CD2 3.96Å; I30-Y51 HydrophobicContact CD1-CE1 3.64Å; I30-Y51 HydrophobicContact CD1-CE2 3.8Å; I30-Y51 HydrophobicContact CD1-CG 3.98Å; I30-Y59 HydrophobicContact CD1-CD2 4.3Å; I30-Y59 HydrophobicContact CD1-CG 4.07Å; I30-Y59 HydrophobicContact CG1-CD2 4.34Å; I30-L84 HydrophobicContact CG2-CD1 4.48Å
31D85.4Confident85.6Confident28 Ų2845.2 Ų45.215%0.1528%0.275CS..  trans-78.2169173.676.912000112.5A33 G34 S35 R37D31-A33 PolarHBondContact O-N 2.73Å; D31-A33 WeakPolarHBondContact OD1-CA 3.5Å; D31-A33 WeakPolarHBondContact OD1-CB 3.3Å; D31-A33 PolarHBondContact OD1-N 3.24Å; D31-G34 PolarHBondContact O-N 2.8Å; D31-G34 PolarHBondContact OD1-N 2.85Å; D31-G34 VanDerWaalsContact OD1-N 3.13Å; D31-S35 PolarHBondContact N-O 2.79Å; D31-S35 WeakPolarHBondContact OD1-CB 3.22Å; D31-S35 PolarHBondContact OD1-N 3.11Å; D31-R37 HydrophobicContact CB-CG 4.38Å; D31-R37 IonicContact OD2-CZ 3.34Å; D31-R37 VanDerWaalsContact OD2-CZ 3.25Å; D31-R37 IonicContact OD2-NE 3.98Å; D31-R37 PolarHBondContact OD2-NE 3.29Å; D31-R37 IonicContact OD2-NH2 3.44Å; D31-R37 PolarHBondContact OD2-NH2 2.98Å
32L82.8Confident85.1Confident82 Ų8248.4 Ų48.443%0.42929%0.292SS..THydrogen-bonded Turntrans-62.8-12.3-179.4-60.9170.1000113.8K80 L81L32-K80 HydrophobicContact CD1-CB 3.85Å; L32-K80 HydrophobicContact CD1-CD 4.3Å; L32-K80 HydrophobicContact CD1-CG 4.49Å; L32-K80 HydrophobicContact CD2-CB 4.22Å; L32-L81 HydrophobicContact CD2-CD2 3.6Å; L32-L81 HydrophobicContact CD2-CG 4.23Å
33A82.4Confident84.8Confident60 Ų6046.7 Ų46.750%0.49628%0.284SS..THydrogen-bonded Turntrans-96.95.317500000112.6D31 S35D31-A33 PolarHBondContact O-N 2.73Å; D31-A33 WeakPolarHBondContact OD1-CA 3.5Å; D31-A33 WeakPolarHBondContact OD1-CB 3.3Å; D31-A33 PolarHBondContact OD1-N 3.24Å; A33-S35 VanDerWaalsContact C-N 3.31Å
34G83.1Confident84.5Confident2 Ų248 Ų482%0.02129%0.292CS..SBendtrans79.87.5-17900000114D31 K58 Y59D31-G34 PolarHBondContact O-N 2.8Å; D31-G34 PolarHBondContact OD1-N 2.85Å; D31-G34 VanDerWaalsContact OD1-N 3.13Å; G34-K58 CarbonylContact O-C 3.6Å; G34-K58 WeakPolarHBondContact O-CA 3.32Å; G34-Y59 WeakPolarHBondContact CA-O 3.49Å; G34-Y59 PolarHBondContact O-N 2.8Å
35S86.7Confident84.2Confident42 Ų4253.6 Ų53.629%0.29432%0.318SS..BIsolated β-bridgetrans-88.4139.5-178-52.70000111D31 A33 R37D31-S35 PolarHBondContact N-O 2.79Å; D31-S35 WeakPolarHBondContact OD1-CB 3.22Å; D31-S35 PolarHBondContact OD1-N 3.11Å; A33-S35 VanDerWaalsContact C-N 3.31Å; S35-R37 PolarHBondContact O-N 2.68Å
36D84.9Confident84.1Confident64 Ų6456.3 Ų56.334%0.34233%0.326SS..BIsolated β-bridgetrans-70.2124.2174.6173.437.4000111.7G38 L44 Y59D36-G38 WeakPolarHBondContact OD1-CA 3.44Å; D36-G38 PolarHBondContact OD1-N 3.49Å; D36-L44 HydrophobicContact CB-CD2 4.48Å; D36-L44 WeakPolarHBondContact OD2-CD1 3.45Å; D36-Y59 HydrophobicContact CB-CD2 4.5Å; D36-Y59 HydrophobicContact CB-CE2 4.04Å
37R82.1Confident84.2Confident194 Ų19453.3 Ų53.373%0.73231%0.312SS*.  trans-126.818.3169-56.8-169-171.8-155.62.4111.3G29 D31 S35G29-R37 CarbonylContact O-C 3.5Å; G29-R37 WeakPolarHBondContact O-CA 3.43Å; G29-R37 PolarHBondContact O-N 3.29Å; D31-R37 HydrophobicContact CB-CG 4.38Å; D31-R37 IonicContact OD2-CZ 3.34Å; D31-R37 VanDerWaalsContact OD2-CZ 3.25Å; D31-R37 IonicContact OD2-NE 3.98Å; D31-R37 PolarHBondContact OD2-NE 3.29Å; D31-R37 IonicContact OD2-NH2 3.44Å; D31-R37 PolarHBondContact OD2-NH2 2.98Å; S35-R37 PolarHBondContact O-N 2.68Å
38G74.9Confident84.2Confident27 Ų2754.3 Ų54.328%0.27832%0.321SS..  trans-60.3149.4-179.700000112.3G29 D36 Q43G29-G38 PolarHBondContact O-N 3.31Å; D36-G38 WeakPolarHBondContact OD1-CA 3.44Å; D36-G38 PolarHBondContact OD1-N 3.49Å; G38-Q43 VanDerWaalsContact CA-OE1 3.31Å
39A71.8Confident84.4Confident110 Ų11054.6 Ų54.691%0.90932%0.323SS*.SBendtrans-95.5-15177.900000112.4
40S79.4Confident84.7Confident51 Ų5154 Ų5436%0.35732%0.316SS..  trans-128.5133.4-173.1178.50000111.9L42 Q43S40-L42 PolarHBondContact O-N 3.41Å; S40-L42 PolarHBondContact OG-N 3.33Å; S40-Q43 VanDerWaalsContact N-OE1 3.09Å; S40-Q43 VanDerWaalsContact O-CB 3.3Å; S40-Q43 WeakPolarHBondContact O-CB 3.4Å; S40-Q43 PolarHBondContact O-N 3.01Å; S40-Q43 PolarHBondContact O-OE1 3.49Å
41A81.6Confident84.9Confident84 Ų8453.6 Ų53.669%0.69431%0.313SS*.G310 helixtrans-60.9-27.8175.600000113Q43 L44 E45A41-Q43 PolarHBondContact O-N 2.89Å; A41-L44 PolarHBondContact O-N 3.29Å; A41-L44 VanDerWaalsContact O-N 3.08Å; A41-E45 PolarHBondContact O-N 2.97Å
42L82.8Confident85.2Confident68 Ų6853.6 Ų53.636%0.35631%0.313SS..G310 helixtrans-63.9-20.8176.9-62.8173.8000112.6S40 L44 P243 I356S40-L42 PolarHBondContact O-N 3.41Å; S40-L42 PolarHBondContact OG-N 3.33Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-P243 HydrophobicContact CD2-CG 3.89Å; L42-I356 HydrophobicContact CB-CD1 3.78Å; L42-I356 HydrophobicContact CD1-CD1 4.47Å
43Q84.6Confident85.6Confident28 Ų2855.8 Ų55.813%0.13132%0.321CS..G310 helixtrans-69.9-28.8175.8-66.1173.7-61.800111.8E27 H28 G38 S40 A41E27-Q43 PolarHBondContact O-NE2 2.85Å; H28-Q43 PolarHBondContact ND1-O 2.64Å; G38-Q43 VanDerWaalsContact CA-OE1 3.31Å; S40-Q43 VanDerWaalsContact N-OE1 3.09Å; S40-Q43 VanDerWaalsContact O-CB 3.3Å; S40-Q43 WeakPolarHBondContact O-CB 3.4Å; S40-Q43 PolarHBondContact O-N 3.01Å; S40-Q43 PolarHBondContact O-OE1 3.49Å; A41-Q43 PolarHBondContact O-N 2.89Å
44L86.1Confident85.8Confident49 Ų4955 Ų5526%0.25731%0.314SS..THydrogen-bonded Turntrans-95.9-17.4-178-62177.8000113.5D36 A41 L42 R46 I47 Y59D36-L44 HydrophobicContact CB-CD2 4.48Å; D36-L44 WeakPolarHBondContact OD2-CD1 3.45Å; A41-L44 PolarHBondContact O-N 3.29Å; A41-L44 VanDerWaalsContact O-N 3.08Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 3.29Å; L44-R46 VanDerWaalsContact O-N 3.14Å; L44-I47 VanDerWaalsContact O-CG2 3.29Å; L44-I47 WeakPolarHBondContact O-CG2 3.43Å; L44-I47 PolarHBondContact O-N 2.76Å; L44-I47 VanDerWaalsContact O-N 3.15Å; L44-Y59 HydrophobicContact CD2-CE2 4.05Å
45E86.1Confident85.7Confident117 Ų11765.7 Ų65.755%0.54736%0.356SS..THydrogen-bonded Turntrans-56.2-36.9-171.6-170.8179.5149.900113.6A41 P243A41-E45 PolarHBondContact O-N 2.97Å; E45-P243 WeakPolarHBondContact OE2-CG 3.41Å
46R87.9Confident85.4Confident62 Ų6266.6 Ų66.623%0.23437%0.371CS..THydrogen-bonded Turntrans-122.830.4177.6-64.6-173179.7178.91.5112.6L44 S48 V49 S239 L240 R241 F242 N247L44-R46 PolarHBondContact O-N 3.29Å; L44-R46 VanDerWaalsContact O-N 3.14Å; R46-S48 PolarHBondContact O-N 3.4Å; R46-V49 HydrophobicContact CB-CG2 4.08Å; R46-V49 WeakPolarHBondContact O-CB 3.04Å; R46-V49 VanDerWaalsContact O-CG2 3.31Å; R46-V49 WeakPolarHBondContact O-CG2 3.38Å; R46-V49 PolarHBondContact O-N 3.28Å; R46-S239 PolarHBondContact NH1-O 3.07Å; R46-L240 WeakPolarHBondContact CD-O 3.33Å; R46-R241 WeakPolarHBondContact CB-O 3.29Å; R46-F242 PolarHBondContact NH1-O 3.26Å; R46-N247 PolarHBondContact NH2-OD1 3.3Å
47I90Very high85.3Confident12 Ų1272.2 Ų72.26%0.06239%0.388CS..G310 helixtrans-63.9-30.2-179.7-160.762.2000112.4H28 I30 L44 V49 Y50 Y51 Y59H28-I47 HydrophobicContact CB-CD1 3.58Å; H28-I47 WeakPolarHBondContact ND1-CD1 3.44Å; I30-I47 HydrophobicContact CD1-CD1 3.65Å; I30-I47 HydrophobicContact CD1-CG1 4.08Å; L44-I47 VanDerWaalsContact O-CG2 3.29Å; L44-I47 WeakPolarHBondContact O-CG2 3.43Å; L44-I47 PolarHBondContact O-N 2.76Å; L44-I47 VanDerWaalsContact O-N 3.15Å; I47-V49 PolarHBondContact O-N 2.94Å; I47-Y50 PolarHBondContact O-N 2.78Å; I47-Y51 HydrophobicContact CD1-CD2 3.56Å; I47-Y51 HydrophobicContact CD1-CE2 3.97Å; I47-Y51 HydrophobicContact CD1-CG 4.32Å; I47-Y51 HydrophobicContact CG1-CD2 3.94Å; I47-Y51 HydrophobicContact CG1-CG 4.27Å; I47-Y51 PolarHBondContact O-N 3.02Å; I47-Y59 HydrophobicContact CG1-CD1 3.95Å; I47-Y59 HydrophobicContact CG1-CE1 4.22Å; I47-Y59 HydrophobicContact CG1-CG 4.32Å; I47-Y59 HydrophobicContact CG2-CD1 4.04Å; I47-Y59 HydrophobicContact CG2-CE1 3.56Å
48S90.6Very high85.7Confident31 Ų3167.8 Ų67.822%0.21737%0.374CS..G310 helixtrans-62.9-12.6179.775.70000114R46 Y51R46-S48 PolarHBondContact O-N 3.4Å; S48-Y51 WeakPolarHBondContact CA-O 3.37Å
49V92.1Very high86.4Confident7 Ų767.2 Ų67.24%0.04236%0.363CS..G310 helixtrans-64.3-42.2177.8177.30000111.1I4 R46 I47 L240I4-V49 HydrophobicContact CD1-CG1 3.73Å; I4-V49 HydrophobicContact CG1-CG1 4.06Å; I4-V49 PolarHBondContact N-O 3.49Å; R46-V49 HydrophobicContact CB-CG2 4.08Å; R46-V49 WeakPolarHBondContact O-CB 3.04Å; R46-V49 VanDerWaalsContact O-CG2 3.31Å; R46-V49 WeakPolarHBondContact O-CG2 3.38Å; R46-V49 PolarHBondContact O-N 3.28Å; I47-V49 PolarHBondContact O-N 2.94Å; V49-L240 HydrophobicContact CG1-CB 4.34Å
50Y94.2Very high87.4Confident3 Ų363.1 Ų63.11%0.01233%0.327CS..THydrogen-bonded Turntrans-118.2-14.6-176.9-79.9-80.9000113.8I4 F20 W21 I24 I47 R62 Q134 T237 R241I4-Y50 HydrophobicContact CB-CE1 4.35Å; I4-Y50 HydrophobicContact CD1-CE2 4.27Å; I4-Y50 HydrophobicContact CG2-CE1 4.15Å; F20-Y50 HydrophobicContact CE1-CD1 4.39Å; F20-Y50 HydrophobicContact CE1-CE1 4.11Å; F20-Y50 HydrophobicContact CZ-CE1 4.02Å; W21-Y50 AromaticContact CH2-CD1 3.85Å; W21-Y50 HydrophobicContact CH2-CD1 3.85Å; W21-Y50 HydrophobicContact CH2-CG 4.32Å; W21-Y50 VanDerWaalsContact CH2-O 3.3Å; W21-Y50 WeakPolarHBondContact CH2-O 3.25Å; W21-Y50 HydrophobicContact CZ2-CD1 4.47Å; W21-Y50 HydrophobicContact CZ3-CD1 4.46Å; I24-Y50 HydrophobicContact CD1-CG 4.28Å; I47-Y50 PolarHBondContact O-N 2.78Å; Y50-R62 WeakPolarHBondContact O-CB 3.28Å; Y50-R62 PolarHBondContact O-N 2.89Å; Y50-Q134 PolarHBondContact OH-OE1 3.32Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.46Å; Y50-R241 HydrophobicContact CD2-CG 3.59Å; Y50-R241 HydrophobicContact CE2-CG 3.61Å
51Y94.1Very high88.2Confident4 Ų460.7 Ų60.72%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-121.3140.7-177-66.1-95000111.9W21 I24 G25 I30 I47 S48 V60 P61W21-Y51 HydrophobicContact CE3-CE1 4.26Å; W21-Y51 AromaticContact CE3-CZ 3.92Å; W21-Y51 HydrophobicContact CZ3-CE1 4.11Å; W21-Y51 HydrophobicContact CZ3-CE2 4.04Å; W21-Y51 AromaticContact CZ3-CZ 3.82Å; I24-Y51 HydrophobicContact CD1-CE2 4.27Å; I24-Y51 HydrophobicContact CG1-CE2 4.49Å; G25-Y51 VanDerWaalsContact CA-OH 3.31Å; G25-Y51 WeakPolarHBondContact CA-OH 3.5Å; G25-Y51 PolarHBondContact N-OH 3.35Å; I30-Y51 HydrophobicContact CD1-CD1 3.82Å; I30-Y51 HydrophobicContact CD1-CD2 3.96Å; I30-Y51 HydrophobicContact CD1-CE1 3.64Å; I30-Y51 HydrophobicContact CD1-CE2 3.8Å; I30-Y51 HydrophobicContact CD1-CG 3.98Å; I47-Y51 HydrophobicContact CD1-CD2 3.56Å; I47-Y51 HydrophobicContact CD1-CE2 3.97Å; I47-Y51 HydrophobicContact CD1-CG 4.32Å; I47-Y51 HydrophobicContact CG1-CD2 3.94Å; I47-Y51 HydrophobicContact CG1-CG 4.27Å; I47-Y51 PolarHBondContact O-N 3.02Å; S48-Y51 WeakPolarHBondContact CA-O 3.37Å; Y51-V60 CarbonylContact C-O 3.52Å; Y51-V60 VanDerWaalsContact CA-O 3.31Å; Y51-V60 WeakPolarHBondContact CA-O 3.49Å; Y51-P61 HydrophobicContact CD1-CG 4.25Å; Y51-P61 HydrophobicContact CE1-CG 3.86Å
52N91.9Very high88.8Confident28 Ų2857 Ų5715%0.1528%0.278CS..EExtended strand (participates in β ladder)trans-86.1133.8166.4-67.2-26.4000109.3A54 Y59 V60 R62 E123N52-A54 PolarHBondContact O-N 2.98Å; N52-Y59 WeakPolarHBondContact O-CA 3.31Å; N52-V60 PolarHBondContact N-O 3.43Å; N52-V60 PolarHBondContact O-N 2.93Å; N52-R62 PolarHBondContact OD1-NE 3.4Å; N52-R62 VanDerWaalsContact OD1-NE 3.15Å; N52-R62 PolarHBondContact OD1-NH2 2.95Å; N52-E123 PolarHBondContact ND2-OE2 2.8Å; N52-E123 VanDerWaalsContact ND2-OE2 3.11Å
53E90Very high89.4Confident129 Ų12953.7 Ų53.760%0.60326%0.261SS*.EExtended strand (participates in β ladder)trans-86.6107173.3-172175176.100109.6Y59E53-Y59 HydrophobicContact CB-CD1 4.38Å; E53-Y59 HydrophobicContact CB-CE1 4.1Å; E53-Y59 HydrophobicContact CG-CE1 4.02Å
54A86.4Confident90Very high42 Ų4252.4 Ų52.435%0.34726%0.255SS..EExtended strand (participates in β ladder)trans-88.6170.4173.600000111.6N52 G56 R57 K58 V60N52-A54 PolarHBondContact O-N 2.98Å; A54-G56 PolarHBondContact O-N 3.27Å; A54-R57 PolarHBondContact O-N 2.96Å; A54-K58 HydrophobicContact CB-CB 4.34Å; A54-K58 WeakPolarHBondContact CB-O 3.37Å; A54-K58 PolarHBondContact N-O 2.9Å; A54-K58 PolarHBondContact O-N 2.79Å; A54-V60 HydrophobicContact CB-CG2 4.14Å
55Y81Confident90.4Very high228 Ų22850 Ų5089%0.89424%0.243SC*.THydrogen-bonded Turntrans-54.2134.1179.7-174.9-94.8000112.3
56G80.9Confident90.9Very high60 Ų6044.5 Ų44.562%0.61922%0.217SC*.THydrogen-bonded Turntrans82.526.1-179.700000114.7A54 K58A54-G56 PolarHBondContact O-N 3.27Å; G56-K58 VanDerWaalsContact C-N 3.26Å; G56-K58 PolarHBondContact O-N 3.49Å
57R83.3Confident91.2Very high183 Ų18341.6 Ų41.669%0.69121%0.206SC*.THydrogen-bonded Turntrans55.840.5-177.9-64-174.4173.9-177-2.1112.7A54A54-R57 PolarHBondContact O-N 2.96Å
58K89.2Confident91.4Very high101 Ų10141.1 Ų41.144%0.43920%0.203SC..EExtended strand (participates in β ladder)trans-93.7126.2171.9-72.7-170.6175.1-170.60108.9G34 A54 G56G34-K58 CarbonylContact O-C 3.6Å; G34-K58 WeakPolarHBondContact O-CA 3.32Å; A54-K58 HydrophobicContact CB-CB 4.34Å; A54-K58 WeakPolarHBondContact CB-O 3.37Å; A54-K58 PolarHBondContact N-O 2.9Å; A54-K58 PolarHBondContact O-N 2.79Å; G56-K58 VanDerWaalsContact C-N 3.26Å; G56-K58 PolarHBondContact O-N 3.49Å
59Y91.7Very high91.3Very high14 Ų1443.6 Ų43.66%0.05521%0.211CC..EExtended strand (participates in β ladder)trans-97.4122.6179.1-63.9-74.6000109.6I30 G34 D36 L44 I47 N52 E53I30-Y59 HydrophobicContact CD1-CD2 4.3Å; I30-Y59 HydrophobicContact CD1-CG 4.07Å; I30-Y59 HydrophobicContact CG1-CD2 4.34Å; G34-Y59 WeakPolarHBondContact CA-O 3.49Å; G34-Y59 PolarHBondContact O-N 2.8Å; D36-Y59 HydrophobicContact CB-CD2 4.5Å; D36-Y59 HydrophobicContact CB-CE2 4.04Å; L44-Y59 HydrophobicContact CD2-CE2 4.05Å; I47-Y59 HydrophobicContact CG1-CD1 3.95Å; I47-Y59 HydrophobicContact CG1-CE1 4.22Å; I47-Y59 HydrophobicContact CG1-CG 4.32Å; I47-Y59 HydrophobicContact CG2-CD1 4.04Å; I47-Y59 HydrophobicContact CG2-CE1 3.56Å; N52-Y59 WeakPolarHBondContact O-CA 3.31Å; E53-Y59 HydrophobicContact CB-CD1 4.38Å; E53-Y59 HydrophobicContact CB-CE1 4.1Å; E53-Y59 HydrophobicContact CG-CE1 4.02Å
60V92.8Very high91Very high24 Ų2445.7 Ų45.715%0.14523%0.225CC..EExtended strand (participates in β ladder)trans-115.2127.2-177-1790000109Y51 N52 A54 R62 Q86Y51-V60 CarbonylContact C-O 3.52Å; Y51-V60 VanDerWaalsContact CA-O 3.31Å; Y51-V60 WeakPolarHBondContact CA-O 3.49Å; N52-V60 PolarHBondContact N-O 3.43Å; N52-V60 PolarHBondContact O-N 2.93Å; A54-V60 HydrophobicContact CB-CG2 4.14Å; V60-R62 PolarHBondContact O-N 2.83Å; V60-Q86 HydrophobicContact CG1-CG 3.37Å
61P94.4Very high90.7Very high0 Ų047.8 Ų47.80%025%0.247CC..EExtended strand (participates in β ladder)trans-54.3131.1177.3-29.937.3000112.7W21 Y51 A63 L84 F85W21-P61 HydrophobicContact CD2-CB 3.9Å; W21-P61 HydrophobicContact CD2-CG 4.27Å; W21-P61 HydrophobicContact CE3-CB 3.67Å; W21-P61 HydrophobicContact CE3-CG 3.89Å; W21-P61 HydrophobicContact CH2-CB 3.71Å; W21-P61 HydrophobicContact CZ2-CB 3.92Å; W21-P61 HydrophobicContact CZ3-CB 3.56Å; W21-P61 HydrophobicContact CZ3-CG 4.13Å; Y51-P61 HydrophobicContact CD1-CG 4.25Å; Y51-P61 HydrophobicContact CE1-CG 3.86Å; P61-A63 HydrophobicContact CB-CB 4.15Å; P61-A63 PolarHBondContact O-N 2.92Å; P61-L84 WeakPolarHBondContact CD-O 3.1Å; P61-L84 HydrophobicContact CG-CD2 3.78Å; P61-L84 HydrophobicContact CG-CG 3.71Å; P61-F85 HydrophobicContact CB-CD1 3.88Å; P61-F85 HydrophobicContact CB-CE1 3.78Å; P61-F85 HydrophobicContact CG-CD1 4.06Å; P61-F85 HydrophobicContact CG-CE1 3.97Å
62R95.2Very high90.2Very high6 Ų648.3 Ų48.32%0.02325%0.251CS..  trans-79.571.8167.4-172.6178-69.6-8422.5109.2I4 V5 H6 Y50 N52 V60 E123 S126 C127I4-R62 VanDerWaalsContact O-CD 3.31Å; I4-R62 WeakPolarHBondContact O-CD 3.47Å; V5-R62 HydrophobicContact CG2-CG 4.09Å; H6-R62 WeakPolarHBondContact CB-O 3.49Å; H6-R62 PolarHBondContact N-O 2.87Å; Y50-R62 WeakPolarHBondContact O-CB 3.28Å; Y50-R62 PolarHBondContact O-N 2.89Å; N52-R62 PolarHBondContact OD1-NE 3.4Å; N52-R62 VanDerWaalsContact OD1-NE 3.15Å; N52-R62 PolarHBondContact OD1-NH2 2.95Å; V60-R62 PolarHBondContact O-N 2.83Å; R62-E123 WeakPolarHBondContact CG-OE2 3.39Å; R62-E123 IonicContact CZ-OE2 3.36Å; R62-E123 PolarHBondContact NH1-O 2.77Å; R62-E123 IonicContact NH1-OE2 3.86Å; R62-E123 PolarHBondContact NH1-OE2 2.89Å; R62-S126 PolarHBondContact NH1-OG 2.92Å; R62-S126 PolarHBondContact NH2-O 3.45Å; R62-S126 VanDerWaalsContact NH2-O 3.17Å; R62-C127 PolarHBondContact NH1-SG 2.89Å; R62-C127 PolarHBondContact NH2-SG 3.27Å
63A95.3Very high90Very high0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-126.7143.2-173.900000111.3H6 W21 P61 L65 F85 S89H6-A63 CarbonylContact O-C 3.58Å; H6-A63 VanDerWaalsContact O-CA 3.23Å; H6-A63 WeakPolarHBondContact O-CA 3.47Å; W21-A63 HydrophobicContact CZ2-CB 3.65Å; P61-A63 HydrophobicContact CB-CB 4.15Å; P61-A63 PolarHBondContact O-N 2.92Å; A63-L65 HydrophobicContact CB-CD1 4.16Å; A63-F85 HydrophobicContact CB-CD1 3.98Å; A63-F85 HydrophobicContact CB-CE1 3.81Å; A63-S89 WeakPolarHBondContact O-CB 3.24Å; A63-S89 PolarHBondContact O-OG 3.23Å
64V96.3Very high89.8Confident0 Ų045.7 Ų45.70%024%0.241CC..EExtended strand (participates in β ladder)trans-119.2123.2168.7-173.60000107.8V5 H6 I7 Q8 V66 V116 V119 V120 E123V5-V64 HydrophobicContact CG1-CG2 4.36Å; H6-V64 PolarHBondContact O-N 3.37Å; I7-V64 WeakPolarHBondContact CA-O 3.46Å; I7-V64 HydrophobicContact CG1-CB 4.44Å; I7-V64 HydrophobicContact CG2-CB 4.44Å; Q8-V64 PolarHBondContact N-O 3.31Å; V64-V66 HydrophobicContact CG1-CG2 3.91Å; V64-V116 HydrophobicContact CG1-CG1 4.44Å; V64-V119 HydrophobicContact CG1-CB 4.41Å; V64-V119 HydrophobicContact CG1-CG1 3.98Å; V64-V119 HydrophobicContact CG2-CG1 3.93Å; V64-V120 HydrophobicContact CG1-CG2 4.44Å; V64-V120 HydrophobicContact CG2-CG2 4.13Å; V64-E123 HydrophobicContact CG2-CG 4.38Å
65L95.9Very high89.9Confident0 Ų047.4 Ų47.40%025%0.251CS..EExtended strand (participates in β ladder)trans-108.1120.7-177.9-66.387.5000108.5A63 M73 I76 F85 S89 F90 V91A63-L65 HydrophobicContact CB-CD1 4.16Å; L65-M73 VanDerWaalsContact C-CE 3.47Å; L65-M73 HydrophobicContact CB-CE 4.06Å; L65-M73 HydrophobicContact CB-SD 4.08Å; L65-M73 WeakPolarHBondContact O-CE 3.39Å; L65-I76 HydrophobicContact CD2-CD1 3.84Å; L65-I76 HydrophobicContact CD2-CG2 3.93Å; L65-F85 HydrophobicContact CD1-CD1 3.86Å; L65-F85 HydrophobicContact CD1-CE1 4.23Å; L65-F85 HydrophobicContact CD1-CG 4.16Å; L65-S89 PolarHBondContact N-O 3.37Å; L65-F90 HydrophobicContact CB-CD1 4.28Å; L65-F90 HydrophobicContact CD2-CD1 4.36Å; L65-F90 HydrophobicContact CD2-CE1 3.9Å; L65-V91 PolarHBondContact O-N 3.16Å
66V95.6Very high90.2Very high0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-126.7128.3-172.4-1730000110I7 Q8 I9 G10 N14 V64 V91 V116 M147I7-V66 HydrophobicContact CG2-CG2 4.42Å; Q8-V66 PolarHBondContact O-N 3.49Å; I9-V66 WeakPolarHBondContact CA-O 3.33Å; I9-V66 HydrophobicContact CG1-CB 4.44Å; I9-V66 HydrophobicContact CG2-CB 4.45Å; G10-V66 PolarHBondContact N-O 3.15Å; N14-V66 PolarHBondContact ND2-O 3.24Å; V64-V66 HydrophobicContact CG1-CG2 3.91Å; V66-V91 WeakPolarHBondContact CA-O 2.98Å; V66-V116 HydrophobicContact CB-CG2 4.42Å; V66-V116 HydrophobicContact CG1-CG2 3.64Å; V66-V116 HydrophobicContact CG2-CB 4.43Å; V66-V116 HydrophobicContact CG2-CG1 3.65Å; V66-V116 HydrophobicContact CG2-CG2 3.84Å; V66-M147 HydrophobicContact CG1-CE 3.54Å; V66-M147 HydrophobicContact CG1-SD 3.8Å
67D95.3Very high90.4Very high2 Ų239.7 Ų39.71%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-152.1144.9168.2-154.6-19.5000110.1Q11 E69 T72 M73 V91 H92 G93Q11-D67 PolarHBondContact N-OD2 3.43Å; D67-E69 PolarHBondContact O-N 2.78Å; D67-E69 PolarHBondContact OD1-N 3.17Å; D67-T72 WeakPolarHBondContact OD2-CB 3.31Å; D67-T72 PolarHBondContact OD2-OG1 2.78Å; D67-M73 HydrophobicContact CB-CE 3.57Å; D67-V91 PolarHBondContact N-O 2.96Å; D67-H92 CarbonylContact O-C 3.32Å; D67-H92 WeakPolarHBondContact O-CA 3.06Å; D67-H92 WeakPolarHBondContact O-CB 3.21Å; D67-G93 PolarHBondContact O-N 2.89Å
68L92.7Very high90.5Very high1 Ų135.9 Ų35.91%0.00520%0.203CC..SBendtrans-75.7-19174.4-75173.3000111.2G93 S95 A97 E108 L112 T143 M147L68-G93 CarbonylContact O-C 3.47Å; L68-G93 VanDerWaalsContact O-C 3.22Å; L68-G93 WeakPolarHBondContact O-CA 3.46Å; L68-S95 WeakPolarHBondContact CB-O 3.34Å; L68-S95 CarbonylContact O-C 3.55Å; L68-S95 PolarHBondContact O-N 2.74Å; L68-S95 VanDerWaalsContact O-O 3.07Å; L68-A97 HydrophobicContact CD1-CB 3.95Å; L68-E108 HydrophobicContact CD1-CB 4.17Å; L68-E108 HydrophobicContact CD2-CB 4.2Å; L68-L112 HydrophobicContact CD2-CB 4.17Å; L68-L112 HydrophobicContact CD2-CD2 3.77Å; L68-T143 HydrophobicContact CB-CG2 4Å; L68-T143 HydrophobicContact CD1-CG2 3.92Å; L68-T143 HydrophobicContact CG-CG2 3.76Å; L68-M147 HydrophobicContact CD1-SD 4.42Å; L68-M147 HydrophobicContact CD2-SD 4.13Å; L68-M147 HydrophobicContact CG-SD 4.02Å
69E87.9Confident90.4Very high83 Ų8333.1 Ų33.139%0.38820%0.197SC..SBendtrans-102.9131.5176-63.8-176.3177.200112.3D67 G71 G96D67-E69 PolarHBondContact O-N 2.78Å; D67-E69 PolarHBondContact OD1-N 3.17Å; E69-G71 VanDerWaalsContact C-N 3.3Å; E69-G71 PolarHBondContact O-N 2.82Å; E69-G96 VanDerWaalsContact CG-CA 3.47Å
70P86.4Confident89.8Confident52 Ų5240.4 Ų40.434%0.33823%0.229SC..Hα-helixtrans-69.9-25.9-179.427-34.2000113.2T72 M73 D74P70-T72 VanDerWaalsContact C-N 3.3Å; P70-T72 PolarHBondContact O-N 2.75Å; P70-M73 WeakPolarHBondContact O-CB 3.42Å; P70-M73 PolarHBondContact O-N 2.93Å; P70-D74 PolarHBondContact O-N 3.46Å
71G87.8Confident89.4Confident46 Ų4639.8 Ų39.847%0.47423%0.225SC..Hα-helixtrans-61.7-33.6-172.800000114.2E69 M73 S75E69-G71 VanDerWaalsContact C-N 3.3Å; E69-G71 PolarHBondContact O-N 2.82Å; G71-M73 VanDerWaalsContact C-N 3.32Å; G71-M73 PolarHBondContact O-N 3.11Å; G71-S75 PolarHBondContact O-N 3.32Å
72T84.8Confident88.8Confident15 Ų1540.1 Ų40.19%0.09223%0.228CC..Hα-helixtrans-63.8-40175.2-55.90000111.1N14 D67 P70 S75 I76N14-T72 HydrophobicContact CB-CG2 3.61Å; D67-T72 WeakPolarHBondContact OD2-CB 3.31Å; D67-T72 PolarHBondContact OD2-OG1 2.78Å; P70-T72 VanDerWaalsContact C-N 3.3Å; P70-T72 PolarHBondContact O-N 2.75Å; T72-S75 WeakPolarHBondContact O-CB 3.49Å; T72-S75 PolarHBondContact O-N 2.75Å; T72-I76 HydrophobicContact CG2-CD1 4.47Å; T72-I76 PolarHBondContact O-N 2.84Å; T72-I76 VanDerWaalsContact O-N 3.12Å
73M86.1Confident88.2Confident2 Ų244.1 Ų44.11%0.0126%0.263CS..Hα-helixtrans-69.3-39.9-178.5-60.6-51.3176.600111.9L65 D67 P70 G71 S75 I76 R77 F90 H92L65-M73 VanDerWaalsContact C-CE 3.47Å; L65-M73 HydrophobicContact CB-CE 4.06Å; L65-M73 HydrophobicContact CB-SD 4.08Å; L65-M73 WeakPolarHBondContact O-CE 3.39Å; D67-M73 HydrophobicContact CB-CE 3.57Å; P70-M73 WeakPolarHBondContact O-CB 3.42Å; P70-M73 PolarHBondContact O-N 2.93Å; G71-M73 VanDerWaalsContact C-N 3.32Å; G71-M73 PolarHBondContact O-N 3.11Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 3.15Å; M73-I76 PolarHBondContact O-N 3.25Å; M73-R77 VanDerWaalsContact O-CB 3.29Å; M73-R77 WeakPolarHBondContact O-CB 3.37Å; M73-R77 PolarHBondContact O-N 2.8Å; M73-F90 HydrophobicContact CB-CD1 4.37Å; M73-F90 HydrophobicContact CG-CD1 4.47Å; M73-F90 HydrophobicContact SD-CD1 3.79Å; M73-F90 HydrophobicContact SD-CE1 4.48Å; M73-H92 HydrophobicContact CG-CB 3.97Å
74D86.8Confident87.9Confident100 Ų10044.7 Ų44.754%0.53527%0.266SS..Hα-helixtrans-62.7-38.2175.8-71.1-27.5000111.9P70 R77 S78P70-D74 PolarHBondContact O-N 3.46Å; D74-R77 PolarHBondContact O-N 3.34Å; D74-S78 VanDerWaalsContact O-CB 3.27Å; D74-S78 WeakPolarHBondContact O-CB 3.3Å; D74-S78 PolarHBondContact O-N 3.35Å; D74-S78 PolarHBondContact O-OG 3.2Å
75S87.7Confident87.6Confident79 Ų7945 Ų4555%0.55227%0.267SS*.Hα-helixtrans-62.4-44174.3-173.20000111.9G71 T72 M73 S78 S79G71-S75 PolarHBondContact O-N 3.32Å; T72-S75 WeakPolarHBondContact O-CB 3.49Å; T72-S75 PolarHBondContact O-N 2.75Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 3.15Å; S75-S78 PolarHBondContact O-OG 2.75Å; S75-S78 VanDerWaalsContact O-OG 3.06Å; S75-S79 WeakPolarHBondContact O-CB 3.42Å; S75-S79 PolarHBondContact O-N 3.15Å
76I87.1Confident87.2Confident10 Ų1047.6 Ų47.65%0.05128%0.279CS..Hα-helixtrans-71.5-41178.3-67.4179.3000111.5N14 L65 T72 M73 S78 S79 G82 F85 F90N14-I76 HydrophobicContact CB-CD1 3.64Å; L65-I76 HydrophobicContact CD2-CD1 3.84Å; L65-I76 HydrophobicContact CD2-CG2 3.93Å; T72-I76 HydrophobicContact CG2-CD1 4.47Å; T72-I76 PolarHBondContact O-N 2.84Å; T72-I76 VanDerWaalsContact O-N 3.12Å; M73-I76 PolarHBondContact O-N 3.25Å; I76-S78 VanDerWaalsContact C-N 3.32Å; I76-S78 PolarHBondContact O-N 3.24Å; I76-S79 WeakPolarHBondContact O-CB 3.45Å; I76-S79 PolarHBondContact O-N 3.5Å; I76-S79 VanDerWaalsContact O-N 3.07Å; I76-S79 PolarHBondContact O-OG 2.84Å; I76-G82 VanDerWaalsContact O-CA 3.23Å; I76-G82 WeakPolarHBondContact O-CA 3.42Å; I76-G82 PolarHBondContact O-N 3.46Å; I76-F85 HydrophobicContact CG2-CD2 4.35Å; I76-F85 HydrophobicContact CG2-CE2 4.29Å; I76-F90 HydrophobicContact CB-CE1 4.47Å; I76-F90 HydrophobicContact CG2-CE1 3.99Å; I76-F90 HydrophobicContact CG2-CZ 4.37Å
77R86.4Confident86.9Confident116 Ų11651.8 Ų51.844%0.43831%0.306SS..Hα-helixtrans-64.9-37.2179.1-168-176.4-61.9-891.1111.9M73 D74 S79M73-R77 VanDerWaalsContact O-CB 3.29Å; M73-R77 WeakPolarHBondContact O-CB 3.37Å; M73-R77 PolarHBondContact O-N 2.8Å; D74-R77 PolarHBondContact O-N 3.34Å; R77-S79 VanDerWaalsContact C-N 3.29Å
78S85.8Confident86.6Confident102 Ų10257.9 Ų57.971%0.71334%0.339SS*.Hα-helixtrans-77.9-14.3174.262.20000113.4D74 S75 I76D74-S78 VanDerWaalsContact O-CB 3.27Å; D74-S78 WeakPolarHBondContact O-CB 3.3Å; D74-S78 PolarHBondContact O-N 3.35Å; D74-S78 PolarHBondContact O-OG 3.2Å; S75-S78 PolarHBondContact O-OG 2.75Å; S75-S78 VanDerWaalsContact O-OG 3.06Å; I76-S78 VanDerWaalsContact C-N 3.32Å; I76-S78 PolarHBondContact O-N 3.24Å
79S85.4Confident86.4Confident44 Ų4457.9 Ų57.931%0.30834%0.339SS..SBendtrans-68.9164174.188.70000111.7S75 I76 R77 L81 G82S75-S79 WeakPolarHBondContact O-CB 3.42Å; S75-S79 PolarHBondContact O-N 3.15Å; I76-S79 WeakPolarHBondContact O-CB 3.45Å; I76-S79 PolarHBondContact O-N 3.5Å; I76-S79 VanDerWaalsContact O-N 3.07Å; I76-S79 PolarHBondContact O-OG 2.84Å; R77-S79 VanDerWaalsContact C-N 3.29Å; S79-L81 PolarHBondContact O-N 3.3Å; S79-L81 VanDerWaalsContact O-N 3.15Å; S79-L81 PolarHBondContact OG-N 2.83Å; S79-G82 PolarHBondContact O-N 3.04Å; S79-G82 PolarHBondContact OG-N 2.86Å
80K80.8Confident86.7Confident166 Ų16654.7 Ų54.772%0.72232%0.324SS*.THydrogen-bonded Turntrans-59.4-25.9176.5-66.2-176.4-175.9174.90113.6L32L32-K80 HydrophobicContact CD1-CB 3.85Å; L32-K80 HydrophobicContact CD1-CD 4.3Å; L32-K80 HydrophobicContact CD1-CG 4.49Å; L32-K80 HydrophobicContact CD2-CB 4.22Å
81L82.8Confident87Confident11 Ų1153 Ų536%0.05831%0.312CS..THydrogen-bonded Turntrans-89.7-11179.8-68167.1000112.9A18 E22 L32 S79 A83 L84 F85A18-L81 WeakPolarHBondContact O-CD1 3.41Å; E22-L81 HydrophobicContact CB-CD1 3.82Å; E22-L81 HydrophobicContact CG-CD1 4.25Å; L32-L81 HydrophobicContact CD2-CD2 3.6Å; L32-L81 HydrophobicContact CD2-CG 4.23Å; S79-L81 PolarHBondContact O-N 3.3Å; S79-L81 VanDerWaalsContact O-N 3.15Å; S79-L81 PolarHBondContact OG-N 2.83Å; L81-A83 PolarHBondContact O-N 3.35Å; L81-A83 VanDerWaalsContact O-N 3.16Å; L81-L84 HydrophobicContact CD2-CD2 4.11Å; L81-L84 VanDerWaalsContact O-CB 3.27Å; L81-L84 WeakPolarHBondContact O-CB 3.31Å; L81-L84 PolarHBondContact O-N 2.98Å; L81-F85 HydrophobicContact CB-CE2 4.02Å; L81-F85 VanDerWaalsContact O-CD2 3.29Å; L81-F85 WeakPolarHBondContact O-CD2 3.44Å
82G81.9Confident87.2Confident7 Ų754.7 Ų54.77%0.07231%0.308CS..THydrogen-bonded Turntrans-58.1-33.6-175.600000113.5I76 S79 L84I76-G82 VanDerWaalsContact O-CA 3.23Å; I76-G82 WeakPolarHBondContact O-CA 3.42Å; I76-G82 PolarHBondContact O-N 3.46Å; S79-G82 PolarHBondContact O-N 3.04Å; S79-G82 PolarHBondContact OG-N 2.86Å; G82-L84 VanDerWaalsContact C-N 3.28Å; G82-L84 PolarHBondContact O-N 3.22Å
83A84.1Confident87.5Confident91 Ų9154.5 Ų54.575%0.75231%0.308SS*.THydrogen-bonded Turntrans-75.4-14.2177.600000114.2L81L81-A83 PolarHBondContact O-N 3.35Å; L81-A83 VanDerWaalsContact O-N 3.16Å
84L88.1Confident87.5Confident11 Ų1161.8 Ų61.86%0.05835%0.347CS..THydrogen-bonded Turntrans-82.4-33.7-179.4-175.464.7000111.5I30 P61 L81 G82I30-L84 HydrophobicContact CG2-CD1 4.48Å; P61-L84 WeakPolarHBondContact CD-O 3.1Å; P61-L84 HydrophobicContact CG-CD2 3.78Å; P61-L84 HydrophobicContact CG-CG 3.71Å; L81-L84 HydrophobicContact CD2-CD2 4.11Å; L81-L84 VanDerWaalsContact O-CB 3.27Å; L81-L84 WeakPolarHBondContact O-CB 3.31Å; L81-L84 PolarHBondContact O-N 2.98Å; G82-L84 VanDerWaalsContact C-N 3.28Å; G82-L84 PolarHBondContact O-N 3.22Å
85F89.9Confident87.5Confident8 Ų859.1 Ų59.14%0.03534%0.337CS..SBendtrans-77.6149.3178.6-63.2-71.9000112.1W21 P61 A63 L65 I76 L81 F90W21-F85 HydrophobicContact CB-CZ 3.96Å; W21-F85 AromaticContact CD1-CE1 3.54Å; W21-F85 AromaticContact CD1-CZ 3.42Å; W21-F85 VanDerWaalsContact CD1-CZ 3.42Å; W21-F85 HydrophobicContact CD2-CE1 4.24Å; W21-F85 AromaticContact CG-CE1 3.87Å; W21-F85 HydrophobicContact CG-CE1 3.87Å; W21-F85 AromaticContact CG-CZ 3.72Å; W21-F85 HydrophobicContact CG-CZ 3.72Å; W21-F85 AromaticContact NE1-CE1 3.73Å; P61-F85 HydrophobicContact CB-CD1 3.88Å; P61-F85 HydrophobicContact CB-CE1 3.78Å; P61-F85 HydrophobicContact CG-CD1 4.06Å; P61-F85 HydrophobicContact CG-CE1 3.97Å; A63-F85 HydrophobicContact CB-CD1 3.98Å; A63-F85 HydrophobicContact CB-CE1 3.81Å; L65-F85 HydrophobicContact CD1-CD1 3.86Å; L65-F85 HydrophobicContact CD1-CE1 4.23Å; L65-F85 HydrophobicContact CD1-CG 4.16Å; I76-F85 HydrophobicContact CG2-CD2 4.35Å; I76-F85 HydrophobicContact CG2-CE2 4.29Å; L81-F85 HydrophobicContact CB-CE2 4.02Å; L81-F85 VanDerWaalsContact O-CD2 3.29Å; L81-F85 WeakPolarHBondContact O-CD2 3.44Å; F85-F90 HydrophobicContact CB-CE2 3.61Å; F85-F90 HydrophobicContact CB-CZ 3.71Å; F85-F90 HydrophobicContact CD2-CZ 4.27Å; F85-F90 HydrophobicContact CG-CZ 4.27Å
86Q88.3Confident87.4Confident53 Ų5356.5 Ų56.525%0.24832%0.322CS..  trans-70.5138.4173.2-57-174-12.100109.9V60 D88 S89 F90V60-Q86 HydrophobicContact CG1-CG 3.37Å; Q86-D88 PolarHBondContact O-N 3.11Å; Q86-S89 WeakPolarHBondContact O-CB 3.4Å; Q86-S89 PolarHBondContact O-N 2.86Å; Q86-S89 VanDerWaalsContact O-N 3.1Å; Q86-F90 WeakPolarHBondContact O-CD2 3.42Å; Q86-F90 WeakPolarHBondContact O-CE2 3.25Å
87P88.3Confident87.5Confident88 Ų8856 Ų5657%0.57132%0.32SS*.G310 helixtrans-56.4-35.1176.4-27.336000113.7S89 F90P87-S89 VanDerWaalsContact C-N 3.25Å; P87-S89 PolarHBondContact O-N 3.22Å; P87-F90 WeakPolarHBondContact O-CD2 3.32Å; P87-F90 PolarHBondContact O-N 2.63Å
88D89.1Confident87.6Confident130 Ų13053.1 Ų53.170%0.69533%0.326SS*.G310 helixtrans-75.1-15.3-178.1-56.8-25.2000112.6Q86 F90Q86-D88 PolarHBondContact O-N 3.11Å; D88-F90 VanDerWaalsContact C-N 3.25Å; D88-F90 PolarHBondContact O-N 3.13Å
89S90.1Very high87.9Confident1 Ų151.5 Ų51.51%0.00731%0.31CS..G310 helixtrans-75.9-10.9174.9-58.20000113.9A63 L65 Q86 P87A63-S89 WeakPolarHBondContact O-CB 3.24Å; A63-S89 PolarHBondContact O-OG 3.23Å; L65-S89 PolarHBondContact N-O 3.37Å; Q86-S89 WeakPolarHBondContact O-CB 3.4Å; Q86-S89 PolarHBondContact O-N 2.86Å; Q86-S89 VanDerWaalsContact O-N 3.1Å; P87-S89 VanDerWaalsContact C-N 3.25Å; P87-S89 PolarHBondContact O-N 3.22Å
90F92.7Very high88.3Confident17 Ų1749.8 Ų49.88%0.07530%0.297CS..EExtended strand (participates in β ladder)trans-91.1107.2179.3-66.8-95.4000109.7L65 M73 I76 F85 Q86 P87 D88L65-F90 HydrophobicContact CB-CD1 4.28Å; L65-F90 HydrophobicContact CD2-CD1 4.36Å; L65-F90 HydrophobicContact CD2-CE1 3.9Å; M73-F90 HydrophobicContact CB-CD1 4.37Å; M73-F90 HydrophobicContact CG-CD1 4.47Å; M73-F90 HydrophobicContact SD-CD1 3.79Å; M73-F90 HydrophobicContact SD-CE1 4.48Å; I76-F90 HydrophobicContact CB-CE1 4.47Å; I76-F90 HydrophobicContact CG2-CE1 3.99Å; I76-F90 HydrophobicContact CG2-CZ 4.37Å; F85-F90 HydrophobicContact CB-CE2 3.61Å; F85-F90 HydrophobicContact CB-CZ 3.71Å; F85-F90 HydrophobicContact CD2-CZ 4.27Å; F85-F90 HydrophobicContact CG-CZ 4.27Å; Q86-F90 WeakPolarHBondContact O-CD2 3.42Å; Q86-F90 WeakPolarHBondContact O-CE2 3.25Å; P87-F90 WeakPolarHBondContact O-CD2 3.32Å; P87-F90 PolarHBondContact O-N 2.63Å; D88-F90 VanDerWaalsContact C-N 3.25Å; D88-F90 PolarHBondContact O-N 3.13Å
91V93.7Very high89Confident15 Ų1542 Ų429%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-111.9120.5176.2-174.60000108.4L65 V66 D67 L112 N115 V116 V119L65-V91 PolarHBondContact O-N 3.16Å; V66-V91 WeakPolarHBondContact CA-O 2.98Å; D67-V91 PolarHBondContact N-O 2.96Å; V91-L112 HydrophobicContact CG1-CD1 3.79Å; V91-L112 HydrophobicContact CG1-CD2 4.38Å; V91-L112 HydrophobicContact CG1-CG 4.07Å; V91-N115 HydrophobicContact CG1-CB 4.1Å; V91-V116 HydrophobicContact CB-CG2 4.03Å; V91-V116 HydrophobicContact CG1-CG2 3.57Å; V91-V119 HydrophobicContact CG2-CB 4.37Å; V91-V119 HydrophobicContact CG2-CG2 3.74Å
92H92.3Very high89.6Confident83 Ų8341.5 Ų41.538%0.38426%0.26SS..EExtended strand (participates in β ladder)trans-136.3150.8179.26979.8000114.3D67 M73D67-H92 CarbonylContact O-C 3.32Å; D67-H92 WeakPolarHBondContact O-CA 3.06Å; D67-H92 WeakPolarHBondContact O-CB 3.21Å; M73-H92 HydrophobicContact CG-CB 3.97Å
93G89.8Confident90.2Very high10 Ų1044.2 Ų44.210%0.10327%0.27CS..  trans-83.8-177.3170.100000112.5D67 L68D67-G93 PolarHBondContact O-N 2.89Å; L68-G93 CarbonylContact O-C 3.47Å; L68-G93 VanDerWaalsContact O-C 3.22Å; L68-G93 WeakPolarHBondContact O-CA 3.46Å
94N86.8Confident90.7Very high155 Ų15539.9 Ų39.983%0.82923%0.234SC*.SBendtrans-110.5-10.6171.3-65.5-42.1000112.6
95S86.5Confident91.1Very high44 Ų4440 Ų4031%0.30824%0.235SC..SBendtrans-133.2126-170.1-177.90000108.4L68 E108L68-S95 WeakPolarHBondContact CB-O 3.34Å; L68-S95 CarbonylContact O-C 3.55Å; L68-S95 PolarHBondContact O-N 2.74Å; L68-S95 VanDerWaalsContact O-O 3.07Å; S95-E108 VanDerWaalsContact CB-CD 3.46Å; S95-E108 WeakPolarHBondContact CB-OE1 3.33Å; S95-E108 VanDerWaalsContact CB-OE2 3.3Å; S95-E108 WeakPolarHBondContact CB-OE2 3.39Å; S95-E108 VanDerWaalsContact OG-CD 3.25Å; S95-E108 PolarHBondContact OG-OE1 3.09Å
96G86.8Confident91.3Very high24 Ų2444.1 Ų44.125%0.24725%0.251CS..  trans-81.1152.1-179.200000113.1E69 G98E69-G96 VanDerWaalsContact CG-CA 3.47Å; G96-G98 PolarHBondContact O-N 3.19Å
97A87.6Confident91.5Very high1 Ų143.5 Ų43.51%0.00825%0.25CS..  trans-71.2-15.1176.100000113.7L68 N99 N100 K103L68-A97 HydrophobicContact CD1-CB 3.95Å; A97-N99 VanDerWaalsContact C-N 3.34Å; A97-N99 PolarHBondContact O-N 3.4Å; A97-N100 WeakPolarHBondContact O-CB 3.45Å; A97-N100 PolarHBondContact O-N 3.12Å; A97-K103 HydrophobicContact CB-CB 4.35Å
98G89.1Confident91.7Very high55 Ų5541.9 Ų41.957%0.56724%0.235SC*.THydrogen-bonded Turntrans57.340.4175.800000114.5G96 N100G96-G98 PolarHBondContact O-N 3.19Å; G98-N100 PolarHBondContact O-N 3.46Å
99N91.5Very high91.8Very high68 Ų6835.7 Ų35.736%0.36420%0.202SC..THydrogen-bonded Turntrans57.926-174.5-63.5-34.4000115A97 T178 V180 N184A97-N99 VanDerWaalsContact C-N 3.34Å; A97-N99 PolarHBondContact O-N 3.4Å; N99-T178 HydrophobicContact CB-CG2 3.99Å; N99-V180 HydrophobicContact CB-CG2 4.21Å; N99-V180 WeakPolarHBondContact O-CG2 3.41Å; N99-N184 PolarHBondContact O-ND2 2.92Å
100N94.3Very high91.9Very high7 Ų737.5 Ų37.54%0.03722%0.217CC..  trans-109.8114.7175.2-173.7-19000110.5A97 G98 A102 K103 G104 G142 W397 Y398A97-N100 WeakPolarHBondContact O-CB 3.45Å; A97-N100 PolarHBondContact O-N 3.12Å; G98-N100 PolarHBondContact O-N 3.46Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 2.78Å; N100-A102 WeakPolarHBondContact OD1-CB 3.39Å; N100-A102 PolarHBondContact OD1-N 3.42Å; N100-K103 HydrophobicContact CB-CB 4.18Å; N100-K103 HydrophobicContact CB-CD 4.26Å; N100-K103 HydrophobicContact CB-CG 4.06Å; N100-K103 PolarHBondContact O-N 2.81Å; N100-G104 PolarHBondContact O-N 3.45Å; N100-G142 WeakPolarHBondContact O-CA 3.46Å; N100-W397 PolarHBondContact ND2-O 2.97Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.41Å
101W96.1Very high91.9Very high3 Ų344.1 Ų44.11%0.01125%0.248CC..Hα-helixtrans-60.1-41176.7-178.298.6000112.5K103 G104 H105 Y106 G146 N184 L187 S188 Q191 Y398 M403W101-K103 VanDerWaalsContact C-N 3.27Å; W101-K103 PolarHBondContact O-N 3.34Å; W101-G104 CarbonylContact O-C 3.2Å; W101-G104 PolarHBondContact O-N 2.93Å; W101-G104 VanDerWaalsContact O-N 3.08Å; W101-H105 HydrophobicContact CD2-CB 4.12Å; W101-H105 HydrophobicContact CE3-CB 3.91Å; W101-H105 HydrophobicContact CH2-CB 3.77Å; W101-H105 AromaticContact CH2-CD2 3.46Å; W101-H105 VanDerWaalsContact CH2-CD2 3.46Å; W101-H105 WeakPolarHBondContact CH2-CD2 3.33Å; W101-H105 AromaticContact CH2-CE1 3.96Å; W101-H105 AromaticContact CH2-CG 3.34Å; W101-H105 AromaticContact CH2-ND1 3.68Å; W101-H105 AromaticContact CH2-NE2 3.86Å; W101-H105 HydrophobicContact CZ2-CB 3.98Å; W101-H105 AromaticContact CZ2-CE1 3.86Å; W101-H105 AromaticContact CZ2-CG 3.56Å; W101-H105 AromaticContact CZ2-ND1 3.43Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.24Å; W101-H105 HydrophobicContact CZ3-CB 3.74Å; W101-H105 AromaticContact CZ3-CG 3.82Å; W101-H105 WeakPolarHBondContact O-CB 3.36Å; W101-H105 PolarHBondContact O-N 2.99Å; W101-Y106 HydrophobicContact CH2-CE2 4.48Å; W101-Y106 HydrophobicContact CZ3-CD2 4.42Å; W101-Y106 AromaticContact CZ3-CE2 3.82Å; W101-Y106 HydrophobicContact CZ3-CE2 3.82Å; W101-G146 VanDerWaalsContact CD1-N 3.28Å; W101-N184 HydrophobicContact CB-CB 4.14Å; W101-N184 WeakPolarHBondContact CB-OD1 3.43Å; W101-N184 PolarHBondContact N-OD1 2.89Å; W101-L187 HydrophobicContact CB-CD1 4.35Å; W101-L187 HydrophobicContact CD2-CB 3.76Å; W101-L187 HydrophobicContact CD2-CD1 3.89Å; W101-L187 HydrophobicContact CD2-CG 4.47Å; W101-L187 HydrophobicContact CE3-CB 4.13Å; W101-L187 HydrophobicContact CE3-CD1 3.64Å; W101-L187 HydrophobicContact CE3-CG 4.44Å; W101-L187 HydrophobicContact CG-CB 4.12Å; W101-L187 HydrophobicContact CG-CD1 4.2Å; W101-L187 HydrophobicContact CH2-CB 4.47Å; W101-L187 HydrophobicContact CZ2-CB 4.11Å; W101-L187 HydrophobicContact CZ3-CB 4.47Å; W101-L187 HydrophobicContact CZ3-CD1 4.25Å; W101-S188 VanDerWaalsContact CD1-OG 3.23Å; W101-S188 PolarHBondContact NE1-OG 3.36Å; W101-Q191 HydrophobicContact CZ2-CG 4.2Å; W101-Y398 HydrophobicContact CB-CE1 4.09Å; W101-M403 HydrophobicContact CE3-SD 4.44Å; W101-M403 HydrophobicContact CZ3-SD 4.36Å
102A95.4Very high91.9Very high0 Ų044 Ų440%025%0.247CC..Hα-helixtrans-64.2-33.6-178.700000111.9N100 H105 Y106 Y398 E401 M403N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 2.78Å; N100-A102 WeakPolarHBondContact OD1-CB 3.39Å; N100-A102 PolarHBondContact OD1-N 3.42Å; A102-H105 PolarHBondContact O-N 3.17Å; A102-Y106 HydrophobicContact CB-CD2 4.25Å; A102-Y106 WeakPolarHBondContact O-CB 3.26Å; A102-Y106 PolarHBondContact O-N 2.77Å; A102-Y398 HydrophobicContact CB-CD1 3.89Å; A102-Y398 HydrophobicContact CB-CG 4.42Å; A102-E401 HydrophobicContact CB-CB 3.88Å; A102-E401 HydrophobicContact CB-CG 4.3Å; A102-M403 HydrophobicContact CB-CB 4.32Å; A102-M403 HydrophobicContact CB-SD 4.35Å
103K94.6Very high92Very high65 Ų6540.5 Ų40.528%0.28323%0.231SC..Hα-helixtrans-63.7-45.3171.9-75.5-168.4168.7-166.10112.7A97 N100 W101 H105 T107 E108 G109 E401A97-K103 HydrophobicContact CB-CB 4.35Å; N100-K103 HydrophobicContact CB-CB 4.18Å; N100-K103 HydrophobicContact CB-CD 4.26Å; N100-K103 HydrophobicContact CB-CG 4.06Å; N100-K103 PolarHBondContact O-N 2.81Å; W101-K103 VanDerWaalsContact C-N 3.27Å; W101-K103 PolarHBondContact O-N 3.34Å; K103-H105 VanDerWaalsContact C-N 3.28Å; K103-H105 PolarHBondContact O-N 3.22Å; K103-T107 VanDerWaalsContact CA-OG1 3.31Å; K103-T107 WeakPolarHBondContact CA-OG1 3.48Å; K103-T107 CarbonylContact O-C 3.56Å; K103-T107 PolarHBondContact O-N 3.2Å; K103-T107 PolarHBondContact O-OG1 3.39Å; K103-E108 PolarHBondContact O-N 3.28Å; K103-G109 PolarHBondContact O-N 2.95Å; K103-E401 VanDerWaalsContact CE-CD 3.44Å; K103-E401 WeakPolarHBondContact CE-OE1 3.44Å; K103-E401 VanDerWaalsContact CG-CD 3.44Å; K103-E401 HydrophobicContact CG-CG 3.68Å; K103-E401 WeakPolarHBondContact CG-OE2 3.5Å; K103-E401 IonicContact NZ-OE1 2.84Å
104G94.4Very high92.2Very high0 Ų045 Ų450%025%0.249CC..Hα-helixtrans-65.6-31.2176.400000112.9N100 W101 G109 G146 M147N100-G104 PolarHBondContact O-N 3.45Å; W101-G104 CarbonylContact O-C 3.2Å; W101-G104 PolarHBondContact O-N 2.93Å; W101-G104 VanDerWaalsContact O-N 3.08Å; G104-G109 VanDerWaalsContact O-CA 3.22Å; G104-G109 WeakPolarHBondContact O-CA 3.37Å; G104-G146 CarbonylContact O-C 3.58Å; G104-M147 WeakPolarHBondContact O-CA 3.49Å; G104-M147 WeakPolarHBondContact O-CB 3.42Å; G104-M147 PolarHBondContact O-N 2.73Å
105H95.3Very high92.5Very high14 Ų1441.7 Ų41.77%0.06523%0.232CC..Hα-helixtrans-94-39.7-173-159.582000114W101 A102 K103 G146 T149 L150W101-H105 HydrophobicContact CD2-CB 4.12Å; W101-H105 HydrophobicContact CE3-CB 3.91Å; W101-H105 HydrophobicContact CH2-CB 3.77Å; W101-H105 AromaticContact CH2-CD2 3.46Å; W101-H105 VanDerWaalsContact CH2-CD2 3.46Å; W101-H105 WeakPolarHBondContact CH2-CD2 3.33Å; W101-H105 AromaticContact CH2-CE1 3.96Å; W101-H105 AromaticContact CH2-CG 3.34Å; W101-H105 AromaticContact CH2-ND1 3.68Å; W101-H105 AromaticContact CH2-NE2 3.86Å; W101-H105 HydrophobicContact CZ2-CB 3.98Å; W101-H105 AromaticContact CZ2-CE1 3.86Å; W101-H105 AromaticContact CZ2-CG 3.56Å; W101-H105 AromaticContact CZ2-ND1 3.43Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.24Å; W101-H105 HydrophobicContact CZ3-CB 3.74Å; W101-H105 AromaticContact CZ3-CG 3.82Å; W101-H105 WeakPolarHBondContact O-CB 3.36Å; W101-H105 PolarHBondContact O-N 2.99Å; A102-H105 PolarHBondContact O-N 3.17Å; K103-H105 VanDerWaalsContact C-N 3.28Å; K103-H105 PolarHBondContact O-N 3.22Å; H105-G146 PolarHBondContact ND1-O 3.19Å; H105-T149 PolarHBondContact ND1-OG1 2.88Å; H105-L150 WeakPolarHBondContact O-CD2 3.35Å
106Y93.9Very high92.9Very high94 Ų9439.6 Ų39.637%0.36922%0.217SC..Hα-helixtrans-111.2-26.9-170.5-66.8-60.3000114.6W101 A102 M403 E407W101-Y106 HydrophobicContact CH2-CE2 4.48Å; W101-Y106 HydrophobicContact CZ3-CD2 4.42Å; W101-Y106 AromaticContact CZ3-CE2 3.82Å; W101-Y106 HydrophobicContact CZ3-CE2 3.82Å; A102-Y106 HydrophobicContact CB-CD2 4.25Å; A102-Y106 WeakPolarHBondContact O-CB 3.26Å; A102-Y106 PolarHBondContact O-N 2.77Å; Y106-M403 HydrophobicContact CD2-CB 4.3Å; Y106-M403 HydrophobicContact CE2-CB 4Å; Y106-M403 HydrophobicContact CE2-CG 4.03Å; Y106-E407 PolarHBondContact OH-OE2 2.8Å
107T93.1Very high93.3Very high39 Ų3938.7 Ų38.724%0.23921%0.206CC..SBendtrans-113.6-96.5-174.861.30000111.9K103 G109 A110 E111 E401K103-T107 VanDerWaalsContact CA-OG1 3.31Å; K103-T107 WeakPolarHBondContact CA-OG1 3.48Å; K103-T107 CarbonylContact O-C 3.56Å; K103-T107 PolarHBondContact O-N 3.2Å; K103-T107 PolarHBondContact O-OG1 3.39Å; T107-G109 VanDerWaalsContact C-N 3.34Å; T107-G109 PolarHBondContact O-N 2.82Å; T107-A110 WeakPolarHBondContact O-CB 3.21Å; T107-A110 PolarHBondContact O-N 3.11Å; T107-E111 PolarHBondContact O-N 2.86Å; T107-E111 VanDerWaalsContact O-N 3.14Å; T107-E401 HydrophobicContact CG2-CB 4.17Å; T107-E401 VanDerWaalsContact CG2-OE2 3.3Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.41Å; T107-E401 PolarHBondContact OG1-OE2 3.21Å
108E92.3Very high93.7Very high55 Ų5544.9 Ų44.926%0.25724%0.235SC..Hα-helixtrans-57.9-41.8-172.8-61.1-73.4-17700113.1L68 S95 K103 E111 L112L68-E108 HydrophobicContact CD1-CB 4.17Å; L68-E108 HydrophobicContact CD2-CB 4.2Å; S95-E108 VanDerWaalsContact CB-CD 3.46Å; S95-E108 WeakPolarHBondContact CB-OE1 3.33Å; S95-E108 VanDerWaalsContact CB-OE2 3.3Å; S95-E108 WeakPolarHBondContact CB-OE2 3.39Å; S95-E108 VanDerWaalsContact OG-CD 3.25Å; S95-E108 PolarHBondContact OG-OE1 3.09Å; K103-E108 PolarHBondContact O-N 3.28Å; E108-E111 PolarHBondContact O-N 2.87Å; E108-L112 PolarHBondContact O-N 3.07Å
109G91.3Very high94Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-72.7-28.9178.500000113.6K103 G104 T107 E111 L112 I113K103-G109 PolarHBondContact O-N 2.95Å; G104-G109 VanDerWaalsContact O-CA 3.22Å; G104-G109 WeakPolarHBondContact O-CA 3.37Å; T107-G109 VanDerWaalsContact C-N 3.34Å; T107-G109 PolarHBondContact O-N 2.82Å; G109-E111 VanDerWaalsContact C-N 3.33Å; G109-L112 PolarHBondContact O-N 2.75Å; G109-I113 WeakPolarHBondContact O-CB 3.22Å; G109-I113 PolarHBondContact O-N 3.04Å
110A92.5Very high94.2Very high39 Ų3940.4 Ų40.432%0.32220%0.199SC..Hα-helixtrans-71-29.5174.700000112.1T107 I113 L150T107-A110 WeakPolarHBondContact O-CB 3.21Å; T107-A110 PolarHBondContact O-N 3.11Å; A110-I113 VanDerWaalsContact O-CG2 3.3Å; A110-I113 WeakPolarHBondContact O-CG2 3.41Å; A110-L150 HydrophobicContact CB-CD2 4.15Å
111E92.6Very high94.2Very high155 Ų15543.9 Ų43.972%0.72421%0.212SC*.Hα-helixtrans-70.7-36.4172.8-66.1-173179.800112.3T107 E108 G109T107-E111 PolarHBondContact O-N 2.86Å; T107-E111 VanDerWaalsContact O-N 3.14Å; E108-E111 PolarHBondContact O-N 2.87Å; G109-E111 VanDerWaalsContact C-N 3.33Å
112L93.8Very high94.2Very high14 Ų1449.2 Ų49.27%0.07324%0.237CC..Hα-helixtrans-84.4-18.2-177.8-16962.1000113.6L68 V91 E108 G109 E114 N115 V116 M147L68-L112 HydrophobicContact CD2-CB 4.17Å; L68-L112 HydrophobicContact CD2-CD2 3.77Å; V91-L112 HydrophobicContact CG1-CD1 3.79Å; V91-L112 HydrophobicContact CG1-CD2 4.38Å; V91-L112 HydrophobicContact CG1-CG 4.07Å; E108-L112 PolarHBondContact O-N 3.07Å; G109-L112 PolarHBondContact O-N 2.75Å; L112-E114 VanDerWaalsContact C-N 3.34Å; L112-E114 PolarHBondContact O-N 3.07Å; L112-N115 HydrophobicContact CD1-CB 4.42Å; L112-N115 PolarHBondContact O-N 2.88Å; L112-V116 HydrophobicContact CG-CG2 4.34Å; L112-V116 PolarHBondContact O-N 3.05Å; L112-M147 HydrophobicContact CB-CE 3.83Å; L112-M147 HydrophobicContact CD2-CE 3.87Å; L112-M147 HydrophobicContact CD2-SD 4.35Å; L112-M147 HydrophobicContact CG-CE 3.89Å
113I94.1Very high94Very high8 Ų849.4 Ų49.44%0.04124%0.237CC..Hα-helixtrans-60.8-38.6-168.4-160.365.7000113.7G109 A110 N115 V116 L117 M147 L150 L151 K154G109-I113 WeakPolarHBondContact O-CB 3.22Å; G109-I113 PolarHBondContact O-N 3.04Å; A110-I113 VanDerWaalsContact O-CG2 3.3Å; A110-I113 WeakPolarHBondContact O-CG2 3.41Å; I113-N115 VanDerWaalsContact C-N 3.33Å; I113-N115 PolarHBondContact O-N 3.12Å; I113-V116 PolarHBondContact O-N 3.35Å; I113-V116 VanDerWaalsContact O-N 3.17Å; I113-L117 HydrophobicContact CG1-CD1 4.16Å; I113-L117 HydrophobicContact CG1-CG 4.37Å; I113-L117 WeakPolarHBondContact O-CG 3.44Å; I113-L117 PolarHBondContact O-N 2.94Å; I113-M147 HydrophobicContact CD1-CE 4.28Å; I113-L150 HydrophobicContact CB-CD2 4.19Å; I113-L150 HydrophobicContact CD1-CD2 4.29Å; I113-L150 HydrophobicContact CD1-CG 4.37Å; I113-L150 HydrophobicContact CG1-CD2 4.14Å; I113-L150 HydrophobicContact CG1-CG 4.33Å; I113-L151 HydrophobicContact CD1-CB 3.7Å; I113-L151 HydrophobicContact CD1-CD1 3.57Å; I113-L151 HydrophobicContact CD1-CG 4.19Å; I113-L151 HydrophobicContact CG1-CD1 4.41Å; I113-K154 HydrophobicContact CG1-CG 4.46Å
114E93.3Very high94Very high105 Ų10546.8 Ų46.849%0.49123%0.228SC..Hα-helixtrans-64.2-39.4-178.3-69.9-60.3149.800111.6L112 V116 L117 E118L112-E114 VanDerWaalsContact C-N 3.34Å; L112-E114 PolarHBondContact O-N 3.07Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.82Å; E114-L117 PolarHBondContact O-N 2.83Å; E114-E118 PolarHBondContact O-N 2.92Å
115N94.3Very high93.9Very high86 Ų8654.5 Ų54.546%0.4626%0.263SS..Hα-helixtrans-64.4-40.2175.7-63-18.9000111.1V91 L112 I113 E118 V119V91-N115 HydrophobicContact CG1-CB 4.1Å; L112-N115 HydrophobicContact CD1-CB 4.42Å; L112-N115 PolarHBondContact O-N 2.88Å; I113-N115 VanDerWaalsContact C-N 3.33Å; I113-N115 PolarHBondContact O-N 3.12Å; N115-E118 PolarHBondContact O-N 2.87Å; N115-V119 PolarHBondContact O-N 3.46Å
116V95.1Very high93.7Very high0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-65.7-44.8176.4177.90000110.6V64 V66 V91 L112 I113 E114 E118 V119 V120 M147 L151V64-V116 HydrophobicContact CG1-CG1 4.44Å; V66-V116 HydrophobicContact CB-CG2 4.42Å; V66-V116 HydrophobicContact CG1-CG2 3.64Å; V66-V116 HydrophobicContact CG2-CB 4.43Å; V66-V116 HydrophobicContact CG2-CG1 3.65Å; V66-V116 HydrophobicContact CG2-CG2 3.84Å; V91-V116 HydrophobicContact CB-CG2 4.03Å; V91-V116 HydrophobicContact CG1-CG2 3.57Å; L112-V116 HydrophobicContact CG-CG2 4.34Å; L112-V116 PolarHBondContact O-N 3.05Å; I113-V116 PolarHBondContact O-N 3.35Å; I113-V116 VanDerWaalsContact O-N 3.17Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.82Å; V116-E118 VanDerWaalsContact C-N 3.3Å; V116-E118 PolarHBondContact O-N 3.41Å; V116-V119 PolarHBondContact O-N 3.31Å; V116-V120 HydrophobicContact CG1-CG2 4.24Å; V116-V120 VanDerWaalsContact O-CG2 3.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.46Å; V116-V120 PolarHBondContact O-N 3.11Å; V116-M147 HydrophobicContact CG2-CE 3.69Å; V116-L151 HydrophobicContact CG1-CD1 3.86Å; V116-L151 HydrophobicContact CG1-CD2 3.88Å
117L95.2Very high93.6Very high4 Ų452.8 Ų52.82%0.02127%0.267CS..Hα-helixtrans-62.5-36.5178.8-73.7170.7000111.9I113 E114 V120 R121 L151 K154 I155I113-L117 HydrophobicContact CG1-CD1 4.16Å; I113-L117 HydrophobicContact CG1-CG 4.37Å; I113-L117 WeakPolarHBondContact O-CG 3.44Å; I113-L117 PolarHBondContact O-N 2.94Å; E114-L117 PolarHBondContact O-N 2.83Å; L117-V120 PolarHBondContact O-N 3.49Å; L117-R121 WeakPolarHBondContact O-CB 3.3Å; L117-R121 VanDerWaalsContact O-CG 3.23Å; L117-R121 WeakPolarHBondContact O-CG 3.48Å; L117-R121 PolarHBondContact O-N 2.94Å; L117-L151 HydrophobicContact CD2-CD1 3.72Å; L117-L151 HydrophobicContact CG-CD1 4.13Å; L117-K154 HydrophobicContact CD1-CB 3.85Å; L117-K154 HydrophobicContact CD1-CG 4.23Å; L117-K154 HydrophobicContact CD2-CB 4.06Å; L117-I155 HydrophobicContact CD2-CG1 4.07Å
118E95.3Very high93.5Very high132 Ų13256.7 Ų56.762%0.61729%0.286SS*.Hα-helixtrans-60.6-45.1174-172.6174.4-172.300112E114 N115 V116 R121 H122E114-E118 PolarHBondContact O-N 2.92Å; N115-E118 PolarHBondContact O-N 2.87Å; V116-E118 VanDerWaalsContact C-N 3.3Å; V116-E118 PolarHBondContact O-N 3.41Å; E118-R121 WeakPolarHBondContact O-CB 3.28Å; E118-R121 PolarHBondContact O-N 3.25Å; E118-H122 PolarHBondContact O-N 3.43Å
119V95.4Very high93.5Very high28 Ų2857.1 Ų57.117%0.1730%0.295CS..Hα-helixtrans-66.2-41.4176.2179.40000111.2V64 V91 N115 V116 R121 H122 E123V64-V119 HydrophobicContact CG1-CB 4.41Å; V64-V119 HydrophobicContact CG1-CG1 3.98Å; V64-V119 HydrophobicContact CG2-CG1 3.93Å; V91-V119 HydrophobicContact CG2-CB 4.37Å; V91-V119 HydrophobicContact CG2-CG2 3.74Å; N115-V119 PolarHBondContact O-N 3.46Å; V116-V119 PolarHBondContact O-N 3.31Å; V119-R121 VanDerWaalsContact C-N 3.32Å; V119-R121 PolarHBondContact O-N 2.91Å; V119-H122 PolarHBondContact O-N 3.21Å; V119-E123 PolarHBondContact O-N 3.01Å
120V95.5Very high93.6Very high0 Ų057.7 Ų57.70%030%0.297CS..Hα-helixtrans-63.1-38.5176.1173.10000111.3I7 V64 V116 L117 S124 F133 I155I7-V120 HydrophobicContact CD1-CG1 4.46Å; I7-V120 HydrophobicContact CD1-CG2 3.88Å; I7-V120 HydrophobicContact CG1-CG2 4.46Å; V64-V120 HydrophobicContact CG1-CG2 4.44Å; V64-V120 HydrophobicContact CG2-CG2 4.13Å; V116-V120 HydrophobicContact CG1-CG2 4.24Å; V116-V120 VanDerWaalsContact O-CG2 3.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.46Å; V116-V120 PolarHBondContact O-N 3.11Å; L117-V120 PolarHBondContact O-N 3.49Å; V120-S124 VanDerWaalsContact O-CB 3.27Å; V120-S124 WeakPolarHBondContact O-CB 3.09Å; V120-S124 PolarHBondContact O-N 2.89Å; V120-S124 PolarHBondContact O-OG 3.43Å; V120-F133 HydrophobicContact CG1-CD1 4.19Å; V120-F133 HydrophobicContact CG1-CE1 3.52Å; V120-F133 HydrophobicContact CG1-CZ 4.26Å; V120-I155 HydrophobicContact CG1-CD1 4.27Å
121R95.4Very high93.5Very high81 Ų8157 Ų5731%0.30629%0.288SS..Hα-helixtrans-62.6-50173.6-78.7169.9-168.6139.16.8111.2L117 E118 V119 E123 S124 E125 E158L117-R121 WeakPolarHBondContact O-CB 3.3Å; L117-R121 VanDerWaalsContact O-CG 3.23Å; L117-R121 WeakPolarHBondContact O-CG 3.48Å; L117-R121 PolarHBondContact O-N 2.94Å; E118-R121 WeakPolarHBondContact O-CB 3.28Å; E118-R121 PolarHBondContact O-N 3.25Å; V119-R121 VanDerWaalsContact C-N 3.32Å; V119-R121 PolarHBondContact O-N 2.91Å; R121-E123 VanDerWaalsContact C-N 3.31Å; R121-E123 PolarHBondContact O-N 3.13Å; R121-S124 PolarHBondContact O-N 2.75Å; R121-E125 WeakPolarHBondContact O-CG 3.24Å; R121-E125 PolarHBondContact O-N 2.91Å; R121-E158 WeakPolarHBondContact CD-OE1 3.5Å; R121-E158 WeakPolarHBondContact CG-OE1 3.44Å; R121-E158 IonicContact CZ-OE1 2.91Å; R121-E158 IonicContact CZ-OE2 3.74Å; R121-E158 VanDerWaalsContact CZ-OE2 3.26Å; R121-E158 VanDerWaalsContact NE-CD 3.26Å; R121-E158 IonicContact NE-OE1 3.54Å; R121-E158 PolarHBondContact NE-OE1 3.27Å; R121-E158 IonicContact NE-OE2 3.39Å; R121-E158 PolarHBondContact NE-OE2 3.07Å; R121-E158 IonicContact NH2-OE1 3.51Å; R121-E158 IonicContact NH2-OE2 2.75Å; R121-E158 PolarHBondContact NH2-OE2 3.08Å
122H94.5Very high93.6Very high115 Ų11549.7 Ų49.753%0.53225%0.253SS..Hα-helixtrans-56.4-45.7178177.2-91.2000111.7E118 V119 S126E118-H122 PolarHBondContact O-N 3.43Å; V119-H122 PolarHBondContact O-N 3.21Å; H122-S126 PolarHBondContact O-N 3.1Å; H122-S126 PolarHBondContact O-OG 2.95Å
123E93.1Very high93.7Very high3 Ų349 Ų491%0.01425%0.25CS..Hα-helixtrans-64.7-41.6174.5-73.6-58.2142.200112V5 N52 R62 V64 V119 R121 E125 S126 C127V5-E123 HydrophobicContact CG1-CB 4.32Å; V5-E123 HydrophobicContact CG2-CB 4.13Å; N52-E123 PolarHBondContact ND2-OE2 2.8Å; N52-E123 VanDerWaalsContact ND2-OE2 3.11Å; R62-E123 WeakPolarHBondContact CG-OE2 3.39Å; R62-E123 IonicContact CZ-OE2 3.36Å; R62-E123 PolarHBondContact NH1-O 2.77Å; R62-E123 IonicContact NH1-OE2 3.86Å; R62-E123 PolarHBondContact NH1-OE2 2.89Å; V64-E123 HydrophobicContact CG2-CG 4.38Å; V119-E123 PolarHBondContact O-N 3.01Å; R121-E123 VanDerWaalsContact C-N 3.31Å; R121-E123 PolarHBondContact O-N 3.13Å; E123-E125 PolarHBondContact O-N 3.41Å; E123-S126 PolarHBondContact O-N 3.42Å; E123-S126 PolarHBondContact O-OG 3.03Å; E123-C127 PolarHBondContact O-N 3.43Å; E123-C127 PolarHBondContact O-SG 2.94Å
124S93.1Very high93.8Very high11 Ų1148.8 Ų48.88%0.07725%0.249CC..Hα-helixtrans-64.3-39.9179.4-60.90000112.6V120 R121 S126 C127V120-S124 VanDerWaalsContact O-CB 3.27Å; V120-S124 WeakPolarHBondContact O-CB 3.09Å; V120-S124 PolarHBondContact O-N 2.89Å; V120-S124 PolarHBondContact O-OG 3.43Å; R121-S124 PolarHBondContact O-N 2.75Å; S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.48Å; S124-C127 VanDerWaalsContact O-CB 3.3Å; S124-C127 WeakPolarHBondContact O-CB 3.29Å; S124-C127 PolarHBondContact O-N 3Å
125E93.4Very high93.9Very high161 Ų16143.8 Ų43.875%0.75223%0.225SC*.Hα-helixtrans-69.9-28.3177.7-72.1-176.2172.100113R121 E123 C127R121-E125 WeakPolarHBondContact O-CG 3.24Å; R121-E125 PolarHBondContact O-N 2.91Å; E123-E125 PolarHBondContact O-N 3.41Å; E125-C127 PolarHBondContact O-N 3.05Å
126S90.8Very high94.1Very high57 Ų5739.8 Ų39.840%0.39920%0.204SC..THydrogen-bonded Turntrans-77.9-0.3173.2700000113.8R62 H122 E123 S124R62-S126 PolarHBondContact NH1-OG 2.92Å; R62-S126 PolarHBondContact NH2-O 3.45Å; R62-S126 VanDerWaalsContact NH2-O 3.17Å; H122-S126 PolarHBondContact O-N 3.1Å; H122-S126 PolarHBondContact O-OG 2.95Å; E123-S126 PolarHBondContact O-N 3.42Å; E123-S126 PolarHBondContact O-OG 3.03Å; S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.48Å
127C92.2Very high94.1Very high16 Ų1639.8 Ų39.811%0.10820%0.204CC..  trans-88.1138.1173.8-59.50000111.3E3 R62 E123 S124 E125 L130E3-C127 HydrophobicContact CB-CB 3.91Å; E3-C127 VanDerWaalsContact CB-SG 3.58Å; E3-C127 HydrophobicContact CG-CB 4Å; R62-C127 PolarHBondContact NH1-SG 2.89Å; R62-C127 PolarHBondContact NH2-SG 3.27Å; E123-C127 PolarHBondContact O-N 3.43Å; E123-C127 PolarHBondContact O-SG 2.94Å; S124-C127 VanDerWaalsContact O-CB 3.3Å; S124-C127 WeakPolarHBondContact O-CB 3.29Å; S124-C127 PolarHBondContact O-N 3Å; E125-C127 PolarHBondContact O-N 3.05Å; C127-L130 HydrophobicContact CB-CB 4.13Å
128D91.3Very high94.1Very high121 Ų12140.5 Ų40.565%0.64721%0.209SC*.SBendtrans-68.8-42.5169.9-71.9-23.3000111.8M1 E3M1-D128 VanDerWaalsContact CE-OD2 3.29Å; M1-D128 WeakPolarHBondContact CE-OD2 3.17Å; E3-D128 PolarHBondContact OE2-N 2.63Å
129C90.9Very high94.1Very high64 Ų6434.2 Ų34.243%0.43218%0.18SC..SBendtrans-153.585.4179.1-172.20000111.2M1 R2 E3 Q131M1-C129 WeakPolarHBondContact O-CB 3.29Å; R2-C129 WeakPolarHBondContact CA-O 3.47Å; E3-C129 PolarHBondContact N-O 3.35Å; E3-C129 WeakPolarHBondContact OE2-CA 3.42Å; E3-C129 PolarHBondContact OE2-N 2.85Å; C129-Q131 PolarHBondContact O-N 3.29Å
130L93.6Very high93.8Very high11 Ų1133 Ų336%0.05817%0.174CC..EExtended strand (participates in β ladder)trans-56.1120.5177.6-178.364.6000111.9V5 C127 F133 Y159 R162V5-L130 HydrophobicContact CB-CD1 4.46Å; V5-L130 HydrophobicContact CG2-CD1 3.75Å; C127-L130 HydrophobicContact CB-CB 4.13Å; L130-F133 HydrophobicContact CD2-CE1 4.23Å; L130-F133 HydrophobicContact CD2-CE2 4.06Å; L130-F133 HydrophobicContact CD2-CZ 3.65Å; L130-Y159 HydrophobicContact CD2-CD1 4.47Å; L130-R162 HydrophobicContact CD2-CG 4.37Å; L130-R162 WeakPolarHBondContact O-CD 3.41Å; L130-R162 PolarHBondContact O-NH1 3.43Å
131Q90.9Very high93.6Very high26 Ų2633.6 Ų33.612%0.12118%0.179CC..EExtended strand (participates in β ladder)trans-75.3-41.7172-65-167.658.300111.6R2 E3 I4 C129 I163 L250R2-Q131 HydrophobicContact CB-CG 3.64Å; R2-Q131 HydrophobicContact CG-CG 4.42Å; R2-Q131 PolarHBondContact O-NE2 3.15Å; E3-Q131 WeakPolarHBondContact O-CB 3.31Å; E3-Q131 PolarHBondContact O-N 3.3Å; I4-Q131 HydrophobicContact CG1-CB 4.2Å; C129-Q131 PolarHBondContact O-N 3.29Å; Q131-I163 PolarHBondContact O-N 3.24Å; Q131-L250 HydrophobicContact CB-CD1 4.16Å
132G93.9Very high93.5Very high0 Ų029.9 Ų29.90%017%0.166CC..EExtended strand (participates in β ladder)trans161.9-170.7-169.100000113.6V5 I163V5-G132 PolarHBondContact N-O 3.19Å; G132-I163 CarbonylContact C-O 3.53Å; G132-I163 WeakPolarHBondContact CA-O 3.46Å
133F96.3Very high93.5Very high1 Ų125 Ų250%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-115.1141.9-175.5-56.9-86.4000110V5 I7 V120 L130 I155 Y159 R162 I163 M164 N165V5-F133 HydrophobicContact CB-CD1 3.78Å; V5-F133 HydrophobicContact CB-CE1 4.04Å; V5-F133 HydrophobicContact CG1-CD1 4.12Å; V5-F133 HydrophobicContact CG1-CE1 4.35Å; V5-F133 HydrophobicContact CG2-CE1 4.35Å; V5-F133 WeakPolarHBondContact O-CA 3.39Å; I7-F133 HydrophobicContact CD1-CD1 4.07Å; V120-F133 HydrophobicContact CG1-CD1 4.19Å; V120-F133 HydrophobicContact CG1-CE1 3.52Å; V120-F133 HydrophobicContact CG1-CZ 4.26Å; L130-F133 HydrophobicContact CD2-CE1 4.23Å; L130-F133 HydrophobicContact CD2-CE2 4.06Å; L130-F133 HydrophobicContact CD2-CZ 3.65Å; F133-I155 HydrophobicContact CD1-CD1 4.39Å; F133-I155 HydrophobicContact CD1-CG2 4.33Å; F133-I155 HydrophobicContact CD2-CG2 3.35Å; F133-I155 HydrophobicContact CE1-CG2 4.28Å; F133-I155 HydrophobicContact CE2-CG2 3.26Å; F133-I155 HydrophobicContact CG-CG2 3.9Å; F133-I155 HydrophobicContact CZ-CG2 3.76Å; F133-Y159 HydrophobicContact CE2-CD1 4.48Å; F133-Y159 AromaticContact CE2-CD2 3.97Å; F133-Y159 HydrophobicContact CE2-CD2 3.97Å; F133-Y159 AromaticContact CE2-CG 3.84Å; F133-Y159 HydrophobicContact CE2-CG 3.84Å; F133-Y159 HydrophobicContact CZ-CD1 4.3Å; F133-Y159 AromaticContact CZ-CD2 3.74Å; F133-Y159 HydrophobicContact CZ-CD2 3.74Å; F133-Y159 HydrophobicContact CZ-CE2 4.09Å; F133-Y159 AromaticContact CZ-CG 3.88Å; F133-Y159 HydrophobicContact CZ-CG 3.88Å; F133-R162 HydrophobicContact CE2-CB 4.19Å; F133-I163 PolarHBondContact N-O 2.95Å; F133-M164 HydrophobicContact CB-CE 4.02Å; F133-M164 HydrophobicContact CB-SD 3.78Å; F133-M164 HydrophobicContact CD2-CE 4.09Å; F133-M164 HydrophobicContact CG-CE 4.3Å; F133-N165 PolarHBondContact O-N 3.33Å
134Q95.9Very high93.5Very high3 Ų325 Ų251%0.01415%0.145CC..EExtended strand (participates in β ladder)trans-119.2108.5173.5-179.5-179.5-14.700109.1I4 V5 H6 I7 Y50 N165 F167I4-Q134 HydrophobicContact CG2-CB 3.93Å; V5-Q134 PolarHBondContact O-N 3.33Å; H6-Q134 CarbonylContact C-O 3.47Å; H6-Q134 WeakPolarHBondContact CA-O 2.97Å; I7-Q134 PolarHBondContact N-O 3.21Å; Y50-Q134 PolarHBondContact OH-OE1 3.32Å; Q134-N165 CarbonylContact C-O 3.53Å; Q134-N165 WeakPolarHBondContact CA-O 3.35Å; Q134-F167 VanDerWaalsContact CD-CE2 3.47Å; Q134-F167 HydrophobicContact CG-CD2 3.74Å; Q134-F167 HydrophobicContact CG-CE2 3.58Å
135I96.8Very high93.5Very high0 Ų024.5 Ų24.50%014%0.141CC..EExtended strand (participates in β ladder)trans-100.9134.9-178.1-55.5-173.2000109.8I7 I9 M152 M164 N165 S166 F167I7-I135 HydrophobicContact CB-CG1 4.21Å; I7-I135 HydrophobicContact CD1-CG1 4.34Å; I7-I135 CarbonylContact O-C 3.6Å; I7-I135 VanDerWaalsContact O-CA 3.32Å; I7-I135 WeakPolarHBondContact O-CA 3.49Å; I9-I135 HydrophobicContact CD1-CG2 3.67Å; I9-I135 HydrophobicContact CG1-CG2 4.25Å; I135-M152 HydrophobicContact CB-CE 3.7Å; I135-M152 HydrophobicContact CD1-CE 3.78Å; I135-M152 HydrophobicContact CD1-CG 3.46Å; I135-M152 VanDerWaalsContact CD1-CG 3.46Å; I135-M152 HydrophobicContact CD1-SD 4.49Å; I135-M152 HydrophobicContact CG1-CE 4.26Å; I135-M152 HydrophobicContact CG2-CE 3.61Å; I135-M164 HydrophobicContact CD1-CE 4.22Å; I135-M164 HydrophobicContact CD1-SD 3.46Å; I135-M164 WeakPolarHBondContact CD1-SD 3.49Å; I135-M164 HydrophobicContact CG1-SD 3.85Å; I135-N165 PolarHBondContact N-O 3.46Å; I135-S166 CarbonylContact O-C 3.48Å; I135-S166 WeakPolarHBondContact O-CA 3.32Å; I135-F167 PolarHBondContact O-N 2.8Å
136V96.9Very high93.6Very high1 Ų116.8 Ų16.81%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-121.3119.9174.8-168.90000108.6H6 I7 I9 G13 I16 F167 M233H6-V136 WeakPolarHBondContact CE1-CG2 3.34Å; I7-V136 PolarHBondContact O-N 2.79Å; I9-V136 PolarHBondContact N-O 3.43Å; G13-V136 VanDerWaalsContact CA-O 3.32Å; G13-V136 WeakPolarHBondContact CA-O 3.37Å; I16-V136 HydrophobicContact CB-CG1 4.08Å; I16-V136 HydrophobicContact CG2-CG1 3.8Å; V136-F167 HydrophobicContact CG1-CB 4.23Å; V136-F167 HydrophobicContact CG2-CB 4.24Å; V136-F167 HydrophobicContact CG2-CD2 4.44Å; V136-M233 HydrophobicContact CG1-CE 4.44Å; V136-M233 HydrophobicContact CG2-CE 3.53Å
137H96.6Very high93.8Very high0 Ų014.2 Ų14.20%09%0.087CC..EExtended strand (participates in β ladder)trans-155.5168.8-174.667.4173.7000112.2I9 G144 M152 F167 S168 V169I9-H137 HydrophobicContact CB-CB 4.35Å; H137-G144 WeakPolarHBondContact CB-O 3.31Å; H137-G144 PolarHBondContact ND1-O 3.16Å; H137-M152 WeakPolarHBondContact CE1-CE 3.3Å; H137-F167 PolarHBondContact N-O 2.83Å; H137-F167 VanDerWaalsContact N-O 3.15Å; H137-S168 PolarHBondContact CD2-OG 2.79Å; H137-S168 PolarHBondContact NE2-OG 3.36Å; H137-V169 PolarHBondContact O-N 2.71Å
138S94.8Very high93.9Very high19 Ų1913.4 Ų13.413%0.1338%0.082CC..EExtended strand (participates in β ladder)trans-109.8143.5169.861.80000111G144 S145S138-G144 CarbonylContact O-C 3.22Å; S138-G144 VanDerWaalsContact O-C 3.32Å; S138-S145 WeakPolarHBondContact O-CA 3.48Å; S138-S145 WeakPolarHBondContact O-CB 3.41Å; S138-S145 PolarHBondContact O-N 3.06Å; S138-S145 VanDerWaalsContact O-N 3.15Å
139L94.1Very high94.1Very high0 Ų07.7 Ų7.70%05%0.051CC..SBendtrans-87.2-18.4179.9-54.6-177.2000112.9S145 V169 M170 N184 A185 I189 L192L139-S145 WeakPolarHBondContact O-CB 3.45Å; L139-V169 PolarHBondContact N-O 3.18Å; L139-M170 HydrophobicContact CD1-CE 3.78Å; L139-M170 HydrophobicContact CD1-SD 3.61Å; L139-N184 CarbonylContact O-C 3.45Å; L139-N184 VanDerWaalsContact O-CB 3.29Å; L139-N184 WeakPolarHBondContact O-CB 3.27Å; L139-A185 HydrophobicContact CB-CB 4.18Å; L139-A185 WeakPolarHBondContact O-CA 3.22Å; L139-A185 PolarHBondContact O-N 2.92Å; L139-I189 HydrophobicContact CD1-CG1 4.04Å; L139-L192 HydrophobicContact CD1-CD1 4Å; L139-L192 HydrophobicContact CD2-CD1 3.68Å
140G90.1Very high94.3Very high4 Ų45.7 Ų5.74%0.0414%0.036CC..SBendtrans-81.7-21.917900000115.1N184G140-N184 PolarHBondContact O-ND2 3.46Å
141G91.3Very high94.4Very high12 Ų125.2 Ų5.212%0.1243%0.034CC..SBendtrans-74.9-168.9-177.900000113.2S145 N184G141-S145 VanDerWaalsContact C-OG 3.25Å; G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-OG 3.46Å; G141-N184 WeakPolarHBondContact O-CB 3.23Å; G141-N184 VanDerWaalsContact O-CG 3.25Å; G141-N184 PolarHBondContact O-ND2 3.47Å
142G92.4Very high94.6Very high3 Ų34 Ų43%0.0313%0.028CC..SBendtrans-103.5-47.5168.600000112.7N100 S145 G146N100-G142 WeakPolarHBondContact O-CA 3.46Å; G142-S145 PolarHBondContact O-OG 3.33Å; G142-G146 PolarHBondContact O-N 2.91Å
143T94.2Very high94.7Very high13 Ų135.3 Ų5.38%0.084%0.035CC..Iπ-helixtrans-69.2-57.4179.3-490000111.8I9 L68 S145 M147 G148I9-T143 HydrophobicContact CG2-CG2 4.34Å; L68-T143 HydrophobicContact CB-CG2 4Å; L68-T143 HydrophobicContact CD1-CG2 3.92Å; L68-T143 HydrophobicContact CG-CG2 3.76Å; T143-S145 PolarHBondContact O-N 3.04Å; T143-M147 HydrophobicContact CG2-CB 4.47Å; T143-M147 HydrophobicContact CG2-SD 4.34Å; T143-M147 WeakPolarHBondContact O-CB 3.24Å; T143-M147 PolarHBondContact O-N 2.81Å; T143-M147 VanDerWaalsContact O-N 3.11Å; T143-G148 PolarHBondContact O-N 2.78Å
144G93.3Very high94.6Very high2 Ų28.4 Ų8.42%0.0215%0.049CC..Iπ-helixtrans-59.7-34.9-177.500000112.7H137 S138 G148H137-G144 WeakPolarHBondContact CB-O 3.31Å; H137-G144 PolarHBondContact ND1-O 3.16Å; S138-G144 CarbonylContact O-C 3.22Å; S138-G144 VanDerWaalsContact O-C 3.32Å; G144-G148 WeakPolarHBondContact O-CA 3.24Å
145S94.4Very high94.6Very high0 Ų08.4 Ų8.40%05%0.048CC..Iπ-helixtrans-82.8-65.8-177.666.80000110.9S138 L139 G141 G142 T143 T149 S188S138-S145 WeakPolarHBondContact O-CA 3.48Å; S138-S145 WeakPolarHBondContact O-CB 3.41Å; S138-S145 PolarHBondContact O-N 3.06Å; S138-S145 VanDerWaalsContact O-N 3.15Å; L139-S145 WeakPolarHBondContact O-CB 3.45Å; G141-S145 VanDerWaalsContact C-OG 3.25Å; G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-OG 3.46Å; G142-S145 PolarHBondContact O-OG 3.33Å; T143-S145 PolarHBondContact O-N 3.04Å; S145-T149 WeakPolarHBondContact O-CG2 3.48Å; S145-T149 PolarHBondContact O-N 3.45Å; S145-T149 PolarHBondContact O-OG1 3.46Å; S145-S188 VanDerWaalsContact CB-OG 3.25Å; S145-S188 WeakPolarHBondContact CB-OG 3.27Å
146G94.8Very high94.4Very high0 Ų010.6 Ų10.60%06%0.057CC..Iπ-helixtrans-68.6-52-173.300000113.7W101 G104 H105 G142 G148 T149 L150W101-G146 VanDerWaalsContact CD1-N 3.28Å; G104-G146 CarbonylContact O-C 3.58Å; H105-G146 PolarHBondContact ND1-O 3.19Å; G142-G146 PolarHBondContact O-N 2.91Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-T149 PolarHBondContact O-OG1 3.45Å; G146-T149 VanDerWaalsContact O-OG1 3.12Å; G146-L150 WeakPolarHBondContact O-CB 3.29Å; G146-L150 PolarHBondContact O-N 3.48Å; G146-L150 VanDerWaalsContact O-N 3.08Å
147M95.1Very high94.3Very high2 Ų216.7 Ų16.71%0.019%0.085CC..Iπ-helixtrans-70.8-34177.4-169.8-172.2177.700110.8V66 L68 G104 L112 I113 V116 T143 L150 L151V66-M147 HydrophobicContact CG1-CE 3.54Å; V66-M147 HydrophobicContact CG1-SD 3.8Å; L68-M147 HydrophobicContact CD1-SD 4.42Å; L68-M147 HydrophobicContact CD2-SD 4.13Å; L68-M147 HydrophobicContact CG-SD 4.02Å; G104-M147 WeakPolarHBondContact O-CA 3.49Å; G104-M147 WeakPolarHBondContact O-CB 3.42Å; G104-M147 PolarHBondContact O-N 2.73Å; L112-M147 HydrophobicContact CB-CE 3.83Å; L112-M147 HydrophobicContact CD2-CE 3.87Å; L112-M147 HydrophobicContact CD2-SD 4.35Å; L112-M147 HydrophobicContact CG-CE 3.89Å; I113-M147 HydrophobicContact CD1-CE 4.28Å; V116-M147 HydrophobicContact CG2-CE 3.69Å; T143-M147 HydrophobicContact CG2-CB 4.47Å; T143-M147 HydrophobicContact CG2-SD 4.34Å; T143-M147 WeakPolarHBondContact O-CB 3.24Å; T143-M147 PolarHBondContact O-N 2.81Å; T143-M147 VanDerWaalsContact O-N 3.11Å; M147-L150 PolarHBondContact O-N 2.84Å; M147-L151 WeakPolarHBondContact O-CB 3.4Å; M147-L151 PolarHBondContact O-N 2.95Å
148G94.9Very high94.2Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-63.2-44.4177.500000113.1T143 G144 G146 L151 M152T143-G148 PolarHBondContact O-N 2.78Å; G144-G148 WeakPolarHBondContact O-CA 3.24Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G148-L151 PolarHBondContact O-N 2.91Å; G148-M152 WeakPolarHBondContact O-CG 3.42Å; G148-M152 PolarHBondContact O-N 2.85Å
149T95.1Very high94.2Very high1 Ų121.2 Ų21.21%0.00610%0.103CC..Hα-helixtrans-70.9-36.8175.255.80000112.5H105 S145 G146 L151 M152 N153 Q191H105-T149 PolarHBondContact ND1-OG1 2.88Å; S145-T149 WeakPolarHBondContact O-CG2 3.48Å; S145-T149 PolarHBondContact O-N 3.45Å; S145-T149 PolarHBondContact O-OG1 3.46Å; G146-T149 PolarHBondContact O-OG1 3.45Å; G146-T149 VanDerWaalsContact O-OG1 3.12Å; T149-L151 VanDerWaalsContact C-N 3.29Å; T149-L151 PolarHBondContact O-N 2.93Å; T149-M152 WeakPolarHBondContact O-CB 3.12Å; T149-M152 PolarHBondContact O-N 2.84Å; T149-N153 VanDerWaalsContact O-CG 3.26Å; T149-N153 PolarHBondContact O-N 2.77Å; T149-N153 PolarHBondContact O-OD1 3.46Å; T149-N153 VanDerWaalsContact O-OD1 3.04Å; T149-Q191 HydrophobicContact CG2-CB 3.76Å; T149-Q191 HydrophobicContact CG2-CG 4.39Å
150L95.5Very high94.2Very high21 Ų2124.9 Ų24.911%0.1113%0.126CC..Hα-helixtrans-57.3-45.2172.1-178.467.4000111.3H105 A110 I113 G146 M147 N153 K154H105-L150 WeakPolarHBondContact O-CD2 3.35Å; A110-L150 HydrophobicContact CB-CD2 4.15Å; I113-L150 HydrophobicContact CB-CD2 4.19Å; I113-L150 HydrophobicContact CD1-CD2 4.29Å; I113-L150 HydrophobicContact CD1-CG 4.37Å; I113-L150 HydrophobicContact CG1-CD2 4.14Å; I113-L150 HydrophobicContact CG1-CG 4.33Å; G146-L150 WeakPolarHBondContact O-CB 3.29Å; G146-L150 PolarHBondContact O-N 3.48Å; G146-L150 VanDerWaalsContact O-N 3.08Å; M147-L150 PolarHBondContact O-N 2.84Å; L150-N153 PolarHBondContact O-N 2.74Å; L150-K154 PolarHBondContact O-N 3.37Å
151L95.6Very high94.2Very high1 Ų130.8 Ų30.81%0.00516%0.157CC..Hα-helixtrans-64.4-40.9177.8-174.665.5000112.1I7 I9 I113 V116 L117 M147 G148 T149 N153 K154 I155I7-L151 HydrophobicContact CD1-CD2 4.24Å; I7-L151 HydrophobicContact CG2-CD2 3.78Å; I9-L151 HydrophobicContact CD1-CB 4.45Å; I9-L151 HydrophobicContact CD1-CD2 3.63Å; I113-L151 HydrophobicContact CD1-CB 3.7Å; I113-L151 HydrophobicContact CD1-CD1 3.57Å; I113-L151 HydrophobicContact CD1-CG 4.19Å; I113-L151 HydrophobicContact CG1-CD1 4.41Å; V116-L151 HydrophobicContact CG1-CD1 3.86Å; V116-L151 HydrophobicContact CG1-CD2 3.88Å; L117-L151 HydrophobicContact CD2-CD1 3.72Å; L117-L151 HydrophobicContact CG-CD1 4.13Å; M147-L151 WeakPolarHBondContact O-CB 3.4Å; M147-L151 PolarHBondContact O-N 2.95Å; G148-L151 PolarHBondContact O-N 2.91Å; T149-L151 VanDerWaalsContact C-N 3.29Å; T149-L151 PolarHBondContact O-N 2.93Å; L151-N153 VanDerWaalsContact C-N 3.29Å; L151-N153 PolarHBondContact O-N 2.9Å; L151-K154 PolarHBondContact O-N 3.09Å; L151-I155 HydrophobicContact CD1-CD1 3.98Å; L151-I155 HydrophobicContact CD1-CG1 4.12Å; L151-I155 HydrophobicContact CD2-CD1 4.22Å; L151-I155 HydrophobicContact CG-CD1 3.72Å; L151-I155 HydrophobicContact CG-CG1 4.23Å; L151-I155 WeakPolarHBondContact O-CB 3.42Å; L151-I155 VanDerWaalsContact O-CG1 3.29Å; L151-I155 WeakPolarHBondContact O-CG1 3.29Å; L151-I155 PolarHBondContact O-N 3.2Å
152M94.9Very high94.3Very high1 Ų134.8 Ų34.81%0.00517%0.169CC..Hα-helixtrans-56.7-45.3174.1-76.6176-171.300111.7I135 H137 G148 T149 I155 R156 M164 L192 N195I135-M152 HydrophobicContact CB-CE 3.7Å; I135-M152 HydrophobicContact CD1-CE 3.78Å; I135-M152 HydrophobicContact CD1-CG 3.46Å; I135-M152 VanDerWaalsContact CD1-CG 3.46Å; I135-M152 HydrophobicContact CD1-SD 4.49Å; I135-M152 HydrophobicContact CG1-CE 4.26Å; I135-M152 HydrophobicContact CG2-CE 3.61Å; H137-M152 WeakPolarHBondContact CE1-CE 3.3Å; G148-M152 WeakPolarHBondContact O-CG 3.42Å; G148-M152 PolarHBondContact O-N 2.85Å; T149-M152 WeakPolarHBondContact O-CB 3.12Å; T149-M152 PolarHBondContact O-N 2.84Å; M152-I155 PolarHBondContact O-N 2.9Å; M152-R156 VanDerWaalsContact O-CB 3.32Å; M152-R156 WeakPolarHBondContact O-CB 3.23Å; M152-R156 PolarHBondContact O-N 3.34Å; M152-M164 HydrophobicContact CG-CG 4.48Å; M152-M164 HydrophobicContact CG-SD 4.34Å; M152-L192 HydrophobicContact CE-CD2 3.93Å; M152-L192 HydrophobicContact SD-CD2 3.44Å; M152-L192 WeakPolarHBondContact SD-CD2 3.38Å; M152-N195 HydrophobicContact CB-CB 4.4Å
153N94.8Very high94.3Very high27 Ų2735 Ų3514%0.14417%0.169CC..Hα-helixtrans-63-46.7180-64.17.1000110.7T149 L150 L151 R156 E157 Q191 N195T149-N153 VanDerWaalsContact O-CG 3.26Å; T149-N153 PolarHBondContact O-N 2.77Å; T149-N153 PolarHBondContact O-OD1 3.46Å; T149-N153 VanDerWaalsContact O-OD1 3.04Å; L150-N153 PolarHBondContact O-N 2.74Å; L151-N153 VanDerWaalsContact C-N 3.29Å; L151-N153 PolarHBondContact O-N 2.9Å; N153-R156 WeakPolarHBondContact O-CB 3.45Å; N153-R156 PolarHBondContact O-N 2.79Å; N153-E157 WeakPolarHBondContact O-CG 3.46Å; N153-E157 PolarHBondContact O-N 3.32Å; N153-Q191 PolarHBondContact ND2-OE1 2.99Å; N153-N195 PolarHBondContact OD1-ND2 3.36Å; N153-N195 PolarHBondContact OD1-OD1 3.14Å
154K95.3Very high94.3Very high67 Ų6734.5 Ų34.529%0.29117%0.166SC..Hα-helixtrans-65.7-40.1178.5-67.5-54.7-177.8-168.90113.7I113 L117 L150 L151 R156 E157 E158I113-K154 HydrophobicContact CG1-CG 4.46Å; L117-K154 HydrophobicContact CD1-CB 3.85Å; L117-K154 HydrophobicContact CD1-CG 4.23Å; L117-K154 HydrophobicContact CD2-CB 4.06Å; L150-K154 PolarHBondContact O-N 3.37Å; L151-K154 PolarHBondContact O-N 3.09Å; K154-R156 VanDerWaalsContact C-N 3.31Å; K154-R156 PolarHBondContact O-N 3.36Å; K154-E157 WeakPolarHBondContact CD-OE2 3.45Å; K154-E157 IonicContact NZ-OE1 3.25Å; K154-E157 PolarHBondContact NZ-OE1 2.89Å; K154-E157 IonicContact NZ-OE2 2.71Å; K154-E157 PolarHBondContact NZ-OE2 3.42Å; K154-E157 PolarHBondContact O-N 3.49Å; K154-E158 PolarHBondContact O-N 2.95Å; K154-E158 VanDerWaalsContact O-N 3.09Å
155I95.2Very high94.4Very high2 Ų234.8 Ų34.81%0.0117%0.167CC..Hα-helixtrans-66.3-36.7174.1-66.5173000110.5I7 L117 V120 F133 L151 M152 E158 Y159 M164I7-I155 HydrophobicContact CD1-CD1 3.53Å; L117-I155 HydrophobicContact CD2-CG1 4.07Å; V120-I155 HydrophobicContact CG1-CD1 4.27Å; F133-I155 HydrophobicContact CD1-CD1 4.39Å; F133-I155 HydrophobicContact CD1-CG2 4.33Å; F133-I155 HydrophobicContact CD2-CG2 3.35Å; F133-I155 HydrophobicContact CE1-CG2 4.28Å; F133-I155 HydrophobicContact CE2-CG2 3.26Å; F133-I155 HydrophobicContact CG-CG2 3.9Å; F133-I155 HydrophobicContact CZ-CG2 3.76Å; L151-I155 HydrophobicContact CD1-CD1 3.98Å; L151-I155 HydrophobicContact CD1-CG1 4.12Å; L151-I155 HydrophobicContact CD2-CD1 4.22Å; L151-I155 HydrophobicContact CG-CD1 3.72Å; L151-I155 HydrophobicContact CG-CG1 4.23Å; L151-I155 WeakPolarHBondContact O-CB 3.42Å; L151-I155 VanDerWaalsContact O-CG1 3.29Å; L151-I155 WeakPolarHBondContact O-CG1 3.29Å; L151-I155 PolarHBondContact O-N 3.2Å; M152-I155 PolarHBondContact O-N 2.9Å; I155-E158 PolarHBondContact O-N 3.48Å; I155-Y159 HydrophobicContact CG2-CD2 4Å; I155-Y159 WeakPolarHBondContact O-CA 3.31Å; I155-Y159 WeakPolarHBondContact O-CB 3.35Å; I155-Y159 PolarHBondContact O-N 3.46Å; I155-M164 HydrophobicContact CB-CE 3.64Å; I155-M164 HydrophobicContact CD1-CE 4.29Å; I155-M164 HydrophobicContact CG2-CE 3.31Å
156R94.1Very high94.4Very high46 Ų4634.8 Ų34.817%0.17417%0.167CC..Hα-helixtrans-65.9-38176.3-176.263.668.6176.98.9112.2M152 N153 K154 P160 R162 M164 N195 D197M152-R156 VanDerWaalsContact O-CB 3.32Å; M152-R156 WeakPolarHBondContact O-CB 3.23Å; M152-R156 PolarHBondContact O-N 3.34Å; N153-R156 WeakPolarHBondContact O-CB 3.45Å; N153-R156 PolarHBondContact O-N 2.79Å; K154-R156 VanDerWaalsContact C-N 3.31Å; K154-R156 PolarHBondContact O-N 3.36Å; R156-P160 WeakPolarHBondContact O-CA 3.44Å; R156-R162 PolarHBondContact NH1-O 3.37Å; R156-M164 VanDerWaalsContact NH2-CB 3.27Å; R156-N195 PolarHBondContact NE-O 2.87Å; R156-N195 PolarHBondContact NH2-O 2.81Å; R156-D197 IonicContact CZ-OD2 2.7Å; R156-D197 IonicContact NH1-OD1 2.8Å; R156-D197 IonicContact NH1-OD2 2.84Å; R156-D197 PolarHBondContact NH1-OD2 2.83Å; R156-D197 VanDerWaalsContact NH1-OD2 3.07Å; R156-D197 VanDerWaalsContact NH2-CG 3.27Å; R156-D197 IonicContact NH2-OD1 3.97Å; R156-D197 IonicContact NH2-OD2 2.63Å; R156-D197 PolarHBondContact NH2-OD2 3.02Å
157E94.3Very high94.5Very high130 Ų13035 Ų3561%0.60717%0.167SC*.Hα-helixtrans-62-44.5173.4-73.5172.3-167.600111.7N153 K154N153-E157 WeakPolarHBondContact O-CG 3.46Å; N153-E157 PolarHBondContact O-N 3.32Å; K154-E157 WeakPolarHBondContact CD-OE2 3.45Å; K154-E157 IonicContact NZ-OE1 3.25Å; K154-E157 PolarHBondContact NZ-OE1 2.89Å; K154-E157 IonicContact NZ-OE2 2.71Å; K154-E157 PolarHBondContact NZ-OE2 3.42Å; K154-E157 PolarHBondContact O-N 3.49Å
158E94.7Very high94.5Very high70 Ų7034.9 Ų34.933%0.32717%0.167SC..Hα-helixtrans-82.9-33.5-175.4-167.7176.5154.100113.4R121 K154 I155 P160R121-E158 WeakPolarHBondContact CD-OE1 3.5Å; R121-E158 WeakPolarHBondContact CG-OE1 3.44Å; R121-E158 IonicContact CZ-OE1 2.91Å; R121-E158 IonicContact CZ-OE2 3.74Å; R121-E158 VanDerWaalsContact CZ-OE2 3.26Å; R121-E158 VanDerWaalsContact NE-CD 3.26Å; R121-E158 IonicContact NE-OE1 3.54Å; R121-E158 PolarHBondContact NE-OE1 3.27Å; R121-E158 IonicContact NE-OE2 3.39Å; R121-E158 PolarHBondContact NE-OE2 3.07Å; R121-E158 IonicContact NH2-OE1 3.51Å; R121-E158 IonicContact NH2-OE2 2.75Å; R121-E158 PolarHBondContact NH2-OE2 3.08Å; K154-E158 PolarHBondContact O-N 2.95Å; K154-E158 VanDerWaalsContact O-N 3.09Å; I155-E158 PolarHBondContact O-N 3.48Å; E158-P160 VanDerWaalsContact C-CD 3.42Å; E158-P160 WeakPolarHBondContact O-CD 3.39Å
159Y94.8Very high94.5Very high43 Ų4335 Ų3517%0.16917%0.168CC..  trans-126.560-175.6-57.6-86.1000112L130 F133 I155 D161 R162L130-Y159 HydrophobicContact CD2-CD1 4.47Å; F133-Y159 HydrophobicContact CE2-CD1 4.48Å; F133-Y159 AromaticContact CE2-CD2 3.97Å; F133-Y159 HydrophobicContact CE2-CD2 3.97Å; F133-Y159 AromaticContact CE2-CG 3.84Å; F133-Y159 HydrophobicContact CE2-CG 3.84Å; F133-Y159 HydrophobicContact CZ-CD1 4.3Å; F133-Y159 AromaticContact CZ-CD2 3.74Å; F133-Y159 HydrophobicContact CZ-CD2 3.74Å; F133-Y159 HydrophobicContact CZ-CE2 4.09Å; F133-Y159 AromaticContact CZ-CG 3.88Å; F133-Y159 HydrophobicContact CZ-CG 3.88Å; I155-Y159 HydrophobicContact CG2-CD2 4Å; I155-Y159 WeakPolarHBondContact O-CA 3.31Å; I155-Y159 WeakPolarHBondContact O-CB 3.35Å; I155-Y159 PolarHBondContact O-N 3.46Å; Y159-D161 VanDerWaalsContact C-N 3.27Å; Y159-D161 PolarHBondContact O-N 2.91Å; Y159-R162 HydrophobicContact CD1-CG 4.36Å; Y159-R162 PolarHBondContact O-N 2.94Å; Y159-R162 VanDerWaalsContact O-N 3.11Å
160P93Very high94.3Very high77 Ų7735 Ų3550%0.517%0.168SC..THydrogen-bonded Turntrans-62.1-33-173.224.6-35.1000113.3R156 E158 R162R156-P160 WeakPolarHBondContact O-CA 3.44Å; E158-P160 VanDerWaalsContact C-CD 3.42Å; E158-P160 WeakPolarHBondContact O-CD 3.39Å; P160-R162 VanDerWaalsContact C-N 3.28Å; P160-R162 PolarHBondContact O-N 3.18Å
161D90.8Very high94Very high129 Ų12934.6 Ų34.669%0.6917%0.166SC*.THydrogen-bonded Turntrans-80.7-2.6-178.4-66.9-37.4000113.7Y159 R251Y159-D161 VanDerWaalsContact C-N 3.27Å; Y159-D161 PolarHBondContact O-N 2.91Å; D161-R251 PolarHBondContact O-NH2 3.38Å
162R93.1Very high93.3Very high96 Ų9634.5 Ų34.536%0.36217%0.166SC..SBendtrans-99.1147.4-175.6-56.2-59.1175.7-178.1-7.8111L130 F133 R156 Y159 P160L130-R162 HydrophobicContact CD2-CG 4.37Å; L130-R162 WeakPolarHBondContact O-CD 3.41Å; L130-R162 PolarHBondContact O-NH1 3.43Å; F133-R162 HydrophobicContact CE2-CB 4.19Å; R156-R162 PolarHBondContact NH1-O 3.37Å; Y159-R162 HydrophobicContact CD1-CG 4.36Å; Y159-R162 PolarHBondContact O-N 2.94Å; Y159-R162 VanDerWaalsContact O-N 3.11Å; P160-R162 VanDerWaalsContact C-N 3.28Å; P160-R162 PolarHBondContact O-N 3.18Å
163I92.6Very high92.4Very high6 Ų638.6 Ų38.63%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-75.5132.3-179.7-64.8-66.1000109.8Q131 G132 F133 N165 D197 L250 R251 A254Q131-I163 PolarHBondContact O-N 3.24Å; G132-I163 CarbonylContact C-O 3.53Å; G132-I163 WeakPolarHBondContact CA-O 3.46Å; F133-I163 PolarHBondContact N-O 2.95Å; I163-N165 VanDerWaalsContact CG2-OD1 3.26Å; I163-N165 WeakPolarHBondContact CG2-OD1 3.43Å; I163-D197 WeakPolarHBondContact CA-OD2 3.41Å; I163-D197 HydrophobicContact CD1-CB 4.35Å; I163-D197 HydrophobicContact CG2-CB 4.17Å; I163-L250 HydrophobicContact CB-CB 4.34Å; I163-L250 HydrophobicContact CG2-CB 4.13Å; I163-R251 HydrophobicContact CD1-CB 4.4Å; I163-R251 HydrophobicContact CD1-CG 4.43Å; I163-R251 HydrophobicContact CG1-CB 4.18Å; I163-A254 HydrophobicContact CD1-CB 4.43Å
164M94.8Very high91.3Very high3 Ų342.2 Ų42.22%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-108.7110.8173.8-174.862.571.100110.2F133 I135 M152 I155 R156 D197 A198F133-M164 HydrophobicContact CB-CE 4.02Å; F133-M164 HydrophobicContact CB-SD 3.78Å; F133-M164 HydrophobicContact CD2-CE 4.09Å; F133-M164 HydrophobicContact CG-CE 4.3Å; I135-M164 HydrophobicContact CD1-CE 4.22Å; I135-M164 HydrophobicContact CD1-SD 3.46Å; I135-M164 WeakPolarHBondContact CD1-SD 3.49Å; I135-M164 HydrophobicContact CG1-SD 3.85Å; M152-M164 HydrophobicContact CG-CG 4.48Å; M152-M164 HydrophobicContact CG-SD 4.34Å; I155-M164 HydrophobicContact CB-CE 3.64Å; I155-M164 HydrophobicContact CD1-CE 4.29Å; I155-M164 HydrophobicContact CG2-CE 3.31Å; R156-M164 VanDerWaalsContact NH2-CB 3.27Å; M164-D197 PolarHBondContact N-OD2 2.73Å; M164-D197 PolarHBondContact O-N 2.94Å; M164-A198 PolarHBondContact O-N 2.86Å
165N94.2Very high90.2Very high8 Ų840.5 Ų40.54%0.04320%0.202CC..EExtended strand (participates in β ladder)trans-107135.1174.2-67.3-18000110.4F133 Q134 I135 I163 A198 L250F133-N165 PolarHBondContact O-N 3.33Å; Q134-N165 CarbonylContact C-O 3.53Å; Q134-N165 WeakPolarHBondContact CA-O 3.35Å; I135-N165 PolarHBondContact N-O 3.46Å; I163-N165 VanDerWaalsContact CG2-OD1 3.26Å; I163-N165 WeakPolarHBondContact CG2-OD1 3.43Å; N165-A198 CarbonylContact C-O 3.52Å; N165-A198 WeakPolarHBondContact CA-O 3.49Å; N165-A198 WeakPolarHBondContact OD1-CB 3.32Å; N165-L250 WeakPolarHBondContact ND2-CD2 3.29Å
166S95.2Very high89.2Confident0 Ų041.6 Ų41.60%021%0.21CC..EExtended strand (participates in β ladder)trans-118.9135.8174.365.80000111.7I135 S168 A198 C199 F200I135-S166 CarbonylContact O-C 3.48Å; I135-S166 WeakPolarHBondContact O-CA 3.32Å; S166-S168 PolarHBondContact OG-OG 2.92Å; S166-A198 PolarHBondContact N-O 3.27Å; S166-C199 WeakPolarHBondContact O-CA 3.46Å; S166-C199 WeakPolarHBondContact OG-CA 3.5Å; S166-C199 WeakPolarHBondContact OG-CB 3.47Å; S166-C199 PolarHBondContact OG-SG 2.74Å; S166-C199 VanDerWaalsContact OG-SG 3.4Å; S166-F200 WeakPolarHBondContact O-CD2 3.36Å; S166-F200 PolarHBondContact O-N 2.8Å
167F96.5Very high88.2Confident4 Ų447.1 Ų47.12%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-103100165.1-71.5-89.3000106.7Q134 I135 V136 H137 F200 I202 M233 I236Q134-F167 VanDerWaalsContact CD-CE2 3.47Å; Q134-F167 HydrophobicContact CG-CD2 3.74Å; Q134-F167 HydrophobicContact CG-CE2 3.58Å; I135-F167 PolarHBondContact O-N 2.8Å; V136-F167 HydrophobicContact CG1-CB 4.23Å; V136-F167 HydrophobicContact CG2-CB 4.24Å; V136-F167 HydrophobicContact CG2-CD2 4.44Å; H137-F167 PolarHBondContact N-O 2.83Å; H137-F167 VanDerWaalsContact N-O 3.15Å; F167-F200 HydrophobicContact CD1-CB 3.72Å; F167-F200 AromaticContact CD1-CD2 3.93Å; F167-F200 HydrophobicContact CD1-CD2 3.93Å; F167-F200 HydrophobicContact CD1-CG 4.02Å; F167-F200 HydrophobicContact CD2-CD2 4.32Å; F167-F200 HydrophobicContact CE1-CB 3.92Å; F167-F200 HydrophobicContact CE1-CD1 4.47Å; F167-F200 AromaticContact CE1-CD2 3.55Å; F167-F200 HydrophobicContact CE1-CD2 3.55Å; F167-F200 HydrophobicContact CE1-CE2 4.2Å; F167-F200 AromaticContact CE1-CG 3.72Å; F167-F200 HydrophobicContact CE1-CG 3.72Å; F167-F200 AromaticContact CE2-CD2 3.93Å; F167-F200 HydrophobicContact CE2-CD2 3.93Å; F167-F200 HydrophobicContact CE2-CE2 4.2Å; F167-F200 HydrophobicContact CG-CB 4.43Å; F167-F200 HydrophobicContact CG-CD2 4.31Å; F167-F200 AromaticContact CZ-CD2 3.56Å; F167-F200 HydrophobicContact CZ-CD2 3.56Å; F167-F200 AromaticContact CZ-CE2 3.81Å; F167-F200 HydrophobicContact CZ-CE2 3.81Å; F167-F200 HydrophobicContact CZ-CG 4.19Å; F167-I202 HydrophobicContact CB-CD1 4.25Å; F167-I202 HydrophobicContact CD1-CD1 4.15Å; F167-M233 HydrophobicContact CD1-CG 3.65Å; F167-M233 HydrophobicContact CD1-SD 4.43Å; F167-M233 HydrophobicContact CD2-CE 4.19Å; F167-M233 HydrophobicContact CE1-CB 4.38Å; F167-M233 HydrophobicContact CE1-CG 3.7Å; F167-M233 HydrophobicContact CG-CE 4.17Å; F167-M233 HydrophobicContact CG-CG 4.22Å; F167-M233 HydrophobicContact CG-SD 4.49Å; F167-M233 HydrophobicContact CZ-CG 4.33Å; F167-I236 HydrophobicContact CE1-CD1 3.76Å; F167-I236 HydrophobicContact CZ-CD1 4.39Å; F167-I236 HydrophobicContact CZ-CG2 4.16Å
168S95.9Very high87.7Confident0 Ų043 Ų430%023%0.226CC..EExtended strand (participates in β ladder)trans-109113.9-167.3-61.30000110.2H137 S166 M170 C199 F200 I202H137-S168 PolarHBondContact CD2-OG 2.79Å; H137-S168 PolarHBondContact NE2-OG 3.36Å; S166-S168 PolarHBondContact OG-OG 2.92Å; S168-M170 PolarHBondContact O-N 3.22Å; S168-C199 PolarHBondContact OG-SG 3Å; S168-C199 VanDerWaalsContact OG-SG 3.35Å; S168-F200 PolarHBondContact N-O 2.89Å; S168-I202 PolarHBondContact O-N 2.86Å
169V94.7Very high87.3Confident3 Ų343.7 Ų43.72%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-82.7115.6176.1-174.70000109.9I16 H137 L139 I202 N204I16-V169 HydrophobicContact CD1-CG2 3.45Å; I16-V169 VanDerWaalsContact CD1-CG2 3.45Å; H137-V169 PolarHBondContact O-N 2.71Å; L139-V169 PolarHBondContact N-O 3.18Å; V169-I202 CarbonylContact C-O 3.54Å; V169-I202 VanDerWaalsContact CA-O 3.26Å; V169-I202 WeakPolarHBondContact CA-O 3.42Å; V169-I202 HydrophobicContact CG2-CB 4.41Å; V169-I202 HydrophobicContact CG2-CG2 4.37Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.32Å
170M91.5Very high87.2Confident0 Ų041.9 Ų41.90%023%0.229CC..EExtended strand (participates in β ladder)trans-75.9136.8176.4-61.3-71.4174.200110L139 S168 I189 C201 I202 D203 I377 F378L139-M170 HydrophobicContact CD1-CE 3.78Å; L139-M170 HydrophobicContact CD1-SD 3.61Å; S168-M170 PolarHBondContact O-N 3.22Å; M170-I189 HydrophobicContact SD-CD1 4.45Å; M170-C201 HydrophobicContact CE-CB 4.04Å; M170-C201 VanDerWaalsContact CE-SG 3.51Å; M170-I202 PolarHBondContact N-O 2.83Å; M170-D203 HydrophobicContact CB-CB 4.42Å; M170-I377 HydrophobicContact CG-CG2 4.18Å; M170-I377 HydrophobicContact SD-CG2 4.22Å; M170-F378 HydrophobicContact CE-CE1 4.41Å
171P88.3Confident87.1Confident13 Ų1339.3 Ų39.38%0.08421%0.21CC..  trans-67.9153.8175.828.7-34.2000111.8E181 A185P171-E181 HydrophobicContact CB-CB 3.69Å; P171-E181 HydrophobicContact CB-CG 4.28Å; P171-E181 WeakPolarHBondContact CB-OE2 3.35Å; P171-E181 HydrophobicContact CG-CB 4.19Å; P171-A185 HydrophobicContact CG-CB 3.77Å
172S81.9Confident87.2Confident0 Ų034.2 Ų34.20%018%0.184CC..  trans-143.7132.5173177.70000111.1K174 V175 S176 E205S172-K174 PolarHBondContact O-N 2.77Å; S172-K174 VanDerWaalsContact O-N 3.14Å; S172-K174 PolarHBondContact OG-N 3.03Å; S172-V175 PolarHBondContact O-N 3.1Å; S172-V175 VanDerWaalsContact O-N 3.08Å; S172-S176 PolarHBondContact O-N 3.35Å; S172-S176 VanDerWaalsContact O-N 3.09Å; S172-E205 WeakPolarHBondContact OG-CB 3.38Å
173P74.3Confident87.3Confident87 Ų8729.6 Ų29.657%0.56517%0.167SC*.THydrogen-bonded Turntrans-67.1-12.4177.327.8-34.3000113.4V175P173-V175 VanDerWaalsContact C-N 3.34Å
174K73.1Confident87.4Confident102 Ų10229.3 Ų29.344%0.44317%0.165SC..THydrogen-bonded Turntrans-78-21.3174-64.3-170.3-163.6156.30113S172 E205 D209S172-K174 PolarHBondContact O-N 2.77Å; S172-K174 VanDerWaalsContact O-N 3.14Å; S172-K174 PolarHBondContact OG-N 3.03Å; K174-E205 HydrophobicContact CD-CG 3.99Å; K174-E205 WeakPolarHBondContact CE-OE1 3.17Å; K174-E205 IonicContact NZ-OE1 2.74Å; K174-E205 PolarHBondContact NZ-OE1 2.87Å; K174-D209 IonicContact NZ-OD1 2.95Å; K174-D209 IonicContact NZ-OD2 3.97Å; K174-D209 PolarHBondContact NZ-OD2 2.81Å
175V71.7Confident87.4Confident32 Ų3229.2 Ų29.219%0.19417%0.165CC..THydrogen-bonded Turntrans-114.7-28.2-168.9-179.90000111.7S172 P173 N204 Y208 Y222 L225S172-V175 PolarHBondContact O-N 3.1Å; S172-V175 VanDerWaalsContact O-N 3.08Å; P173-V175 VanDerWaalsContact C-N 3.34Å; V175-N204 HydrophobicContact CB-CB 4.11Å; V175-N204 HydrophobicContact CG1-CB 4.23Å; V175-N204 HydrophobicContact CG2-CB 4.03Å; V175-Y208 HydrophobicContact CG2-CD2 4.25Å; V175-Y208 HydrophobicContact CG2-CG 4.33Å; V175-Y222 HydrophobicContact CG1-CE1 3.81Å; V175-Y222 WeakPolarHBondContact CG1-OH 3.44Å; V175-Y222 PolarHBondContact O-OH 3.04Å; V175-L225 HydrophobicContact CG1-CD2 4.43Å
176S73.8Confident87.5Confident24 Ų2428.8 Ų28.817%0.16816%0.163CC..  trans-127138.5179-175.80000111.9S172 T178 E181S172-S176 PolarHBondContact O-N 3.35Å; S172-S176 VanDerWaalsContact O-N 3.09Å; S176-T178 VanDerWaalsContact C-N 3.31Å; S176-T178 PolarHBondContact OG-N 3.44Å; S176-T178 PolarHBondContact OG-OG1 2.92Å; S176-E181 WeakPolarHBondContact CB-OE1 3.29Å; S176-E181 PolarHBondContact OG-OE1 3.2Å
177D72.7Confident87.5Confident163 Ų16329 Ų2987%0.87216%0.164SC*.  trans-87.90.9175.8-65.2-41.3000112.6V179D177-V179 PolarHBondContact O-N 3.16Å
178T83.9Confident87.5Confident42 Ų4228.9 Ų28.926%0.25816%0.163SC..  trans-75116.1-176.6-58.80000110.5N99 S176 V180 E181N99-T178 HydrophobicContact CB-CG2 3.99Å; S176-T178 VanDerWaalsContact C-N 3.31Å; S176-T178 PolarHBondContact OG-N 3.44Å; S176-T178 PolarHBondContact OG-OG1 2.92Å; T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 HydrophobicContact CG2-CG2 3.72Å; T178-V180 PolarHBondContact O-N 3.45Å; T178-E181 HydrophobicContact CG2-CG 3.89Å; T178-E181 WeakPolarHBondContact O-CG 3.31Å
179V86.7Confident87.4Confident86 Ų8628.9 Ų28.952%0.52116%0.163SC..THydrogen-bonded Turntrans-72.7-23.7-174.8-61.90000114.1D177 P182 M388 F394D177-V179 PolarHBondContact O-N 3.16Å; V179-P182 WeakPolarHBondContact O-CD 3.27Å; V179-M388 VanDerWaalsContact O-CE 3.31Å; V179-M388 WeakPolarHBondContact O-CE 3.48Å; V179-F394 HydrophobicContact CG2-CD2 4.12Å; V179-F394 HydrophobicContact CG2-CE2 3.6Å; V179-F394 HydrophobicContact CG2-CZ 4Å
180V92.1Very high87.5Confident4 Ų430.4 Ų30.42%0.02417%0.17CC..THydrogen-bonded Turntrans-88.6-2.5-174.5-63.30000114.5N99 T178 P182 Y183 N184 F394 W397N99-V180 HydrophobicContact CB-CG2 4.21Å; N99-V180 WeakPolarHBondContact O-CG2 3.41Å; T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 HydrophobicContact CG2-CG2 3.72Å; T178-V180 PolarHBondContact O-N 3.45Å; V180-P182 VanDerWaalsContact C-CD 3.43Å; V180-P182 VanDerWaalsContact C-N 3.34Å; V180-Y183 HydrophobicContact CB-CD2 4.47Å; V180-Y183 WeakPolarHBondContact O-CB 3.49Å; V180-Y183 PolarHBondContact O-N 3.24Å; V180-N184 PolarHBondContact O-N 3.42Å; V180-F394 HydrophobicContact CG1-CB 3.84Å; V180-F394 HydrophobicContact CG1-CD2 4.12Å; V180-F394 HydrophobicContact CG1-CG 3.94Å; V180-W397 HydrophobicContact CG1-CE3 4.43Å; V180-W397 HydrophobicContact CG1-CZ3 4.32Å
181E91.8Very high87.6Confident23 Ų2331.9 Ų31.911%0.10718%0.177CC..Hα-helixtrans-55.2-37.8-177.8-62.8-174.9158.900114.7P171 S176 T178 Y183 N184 A185P171-E181 HydrophobicContact CB-CB 3.69Å; P171-E181 HydrophobicContact CB-CG 4.28Å; P171-E181 WeakPolarHBondContact CB-OE2 3.35Å; P171-E181 HydrophobicContact CG-CB 4.19Å; S176-E181 WeakPolarHBondContact CB-OE1 3.29Å; S176-E181 PolarHBondContact OG-OE1 3.2Å; T178-E181 HydrophobicContact CG2-CG 3.89Å; T178-E181 WeakPolarHBondContact O-CG 3.31Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 3.38Å; E181-N184 PolarHBondContact O-N 3.18Å; E181-A185 WeakPolarHBondContact O-CB 3.44Å; E181-A185 PolarHBondContact O-N 2.96Å
182P93.4Very high87.9Confident22 Ų2231.2 Ų31.214%0.14317%0.173CC..Hα-helixtrans-61.4-34.8176.6-23.833.5000113.3V179 V180 V186 H384 F385 M388V179-P182 WeakPolarHBondContact O-CD 3.27Å; V180-P182 VanDerWaalsContact C-CD 3.43Å; V180-P182 VanDerWaalsContact C-N 3.34Å; P182-V186 WeakPolarHBondContact O-CB 3.07Å; P182-V186 WeakPolarHBondContact O-CG2 3.43Å; P182-V186 PolarHBondContact O-N 3.18Å; P182-H384 HydrophobicContact CB-CB 3.97Å; P182-H384 HydrophobicContact CG-CB 3.73Å; P182-F385 HydrophobicContact CB-CB 4.34Å; P182-M388 HydrophobicContact CB-CE 3.7Å; P182-M388 HydrophobicContact CG-CE 3.69Å
183Y94.8Very high88.5Confident0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-63.4-51.2174.2-72.5-58.2000111V180 E181 A185 V186 L187 F385 M388 F389 A393 Y398 F408V180-Y183 HydrophobicContact CB-CD2 4.47Å; V180-Y183 WeakPolarHBondContact O-CB 3.49Å; V180-Y183 PolarHBondContact O-N 3.24Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 3.38Å; Y183-A185 VanDerWaalsContact C-N 3.27Å; Y183-A185 PolarHBondContact O-N 3.41Å; Y183-V186 PolarHBondContact O-N 2.99Å; Y183-L187 VanDerWaalsContact O-CG 3.3Å; Y183-L187 WeakPolarHBondContact O-CG 3.21Å; Y183-L187 PolarHBondContact O-N 3.1Å; Y183-L187 VanDerWaalsContact O-N 3.1Å; Y183-F385 AromaticContact CD1-CD2 3.5Å; Y183-F385 HydrophobicContact CD1-CD2 3.5Å; Y183-F385 AromaticContact CD1-CE2 3.38Å; Y183-F385 HydrophobicContact CD1-CE2 3.38Å; Y183-F385 HydrophobicContact CD1-CG 4.47Å; Y183-F385 HydrophobicContact CD1-CZ 4.21Å; Y183-F385 HydrophobicContact CE1-CD2 4.02Å; Y183-F385 AromaticContact CE1-CE2 3.89Å; Y183-F385 HydrophobicContact CE1-CE2 3.89Å; Y183-F385 HydrophobicContact CE1-CZ 4.33Å; Y183-F385 HydrophobicContact CG-CD2 4.39Å; Y183-F385 HydrophobicContact CG-CE2 4.47Å; Y183-M388 HydrophobicContact CD2-CE 3.62Å; Y183-M388 HydrophobicContact CD2-SD 4.49Å; Y183-M388 HydrophobicContact CE2-CB 3.95Å; Y183-M388 HydrophobicContact CE2-CE 3.68Å; Y183-M388 HydrophobicContact CE2-SD 4.12Å; Y183-M388 HydrophobicContact CG-CE 4.18Å; Y183-M388 VanDerWaalsContact OH-C 3.22Å; Y183-M388 WeakPolarHBondContact OH-CB 3.29Å; Y183-M388 PolarHBondContact OH-O 3.48Å; Y183-F389 HydrophobicContact CE1-CB 4.04Å; Y183-F389 HydrophobicContact CE1-CD2 4.06Å; Y183-F389 HydrophobicContact CE1-CG 4.5Å; Y183-F389 WeakPolarHBondContact OH-CA 3.19Å; Y183-F389 PolarHBondContact OH-N 3.43Å; Y183-A393 VanDerWaalsContact CE2-O 3.25Å; Y183-A393 WeakPolarHBondContact CE2-O 3.33Å; Y183-A393 PolarHBondContact OH-O 3.02Å; Y183-Y398 WeakPolarHBondContact CB-OH 3.36Å; Y183-Y398 HydrophobicContact CD2-CE2 4.19Å; Y183-Y398 HydrophobicContact CG-CE2 4.42Å; Y183-F408 AromaticContact CD1-CD1 3.82Å; Y183-F408 HydrophobicContact CD1-CD1 3.82Å; Y183-F408 AromaticContact CD1-CE1 3.6Å; Y183-F408 HydrophobicContact CD1-CE1 3.6Å; Y183-F408 HydrophobicContact CE1-CD1 4.15Å; Y183-F408 HydrophobicContact CE1-CE1 4.13Å; Y183-F408 HydrophobicContact CG-CE1 4.18Å
184N95.1Very high89.3Confident0 Ų033.8 Ų33.80%018%0.177CC..Hα-helixtrans-59-41.2179.5-61.2-28.3000111.5N99 W101 L139 G140 G141 V180 E181 S188 Y398N99-N184 PolarHBondContact O-ND2 2.92Å; W101-N184 HydrophobicContact CB-CB 4.14Å; W101-N184 WeakPolarHBondContact CB-OD1 3.43Å; W101-N184 PolarHBondContact N-OD1 2.89Å; L139-N184 CarbonylContact O-C 3.45Å; L139-N184 VanDerWaalsContact O-CB 3.29Å; L139-N184 WeakPolarHBondContact O-CB 3.27Å; G140-N184 PolarHBondContact O-ND2 3.46Å; G141-N184 WeakPolarHBondContact O-CB 3.23Å; G141-N184 VanDerWaalsContact O-CG 3.25Å; G141-N184 PolarHBondContact O-ND2 3.47Å; V180-N184 PolarHBondContact O-N 3.42Å; E181-N184 PolarHBondContact O-N 3.18Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.28Å; N184-S188 PolarHBondContact O-N 3.14Å; N184-S188 PolarHBondContact O-OG 2.71Å; N184-Y398 PolarHBondContact OD1-OH 3.41Å
185A94.8Very high90.2Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-69-44.2-179.700000112.5L139 P171 E181 Y183 S188 I189 V381L139-A185 HydrophobicContact CB-CB 4.18Å; L139-A185 WeakPolarHBondContact O-CA 3.22Å; L139-A185 PolarHBondContact O-N 2.92Å; P171-A185 HydrophobicContact CG-CB 3.77Å; E181-A185 WeakPolarHBondContact O-CB 3.44Å; E181-A185 PolarHBondContact O-N 2.96Å; Y183-A185 VanDerWaalsContact C-N 3.27Å; Y183-A185 PolarHBondContact O-N 3.41Å; A185-S188 PolarHBondContact O-N 3.23Å; A185-I189 WeakPolarHBondContact O-CB 3.17Å; A185-I189 WeakPolarHBondContact O-CD1 3.41Å; A185-I189 WeakPolarHBondContact O-CG1 3.31Å; A185-I189 PolarHBondContact O-N 3.33Å; A185-V381 HydrophobicContact CB-CG1 3.88Å
186V95.2Very high91.2Very high0 Ų028.8 Ų28.80%016%0.155CC..Hα-helixtrans-60.1-48.7177.5162.70000111.1P182 Y183 S188 I189 H190 V381 F385 A411 I415P182-V186 WeakPolarHBondContact O-CB 3.07Å; P182-V186 WeakPolarHBondContact O-CG2 3.43Å; P182-V186 PolarHBondContact O-N 3.18Å; Y183-V186 PolarHBondContact O-N 2.99Å; V186-S188 VanDerWaalsContact C-N 3.26Å; V186-S188 PolarHBondContact O-N 3.03Å; V186-I189 PolarHBondContact O-N 3.18Å; V186-H190 PolarHBondContact O-N 3.46Å; V186-V381 HydrophobicContact CG2-CG1 3.77Å; V186-F385 HydrophobicContact CB-CD2 3.6Å; V186-F385 HydrophobicContact CB-CE2 3.81Å; V186-F385 HydrophobicContact CB-CG 4.28Å; V186-F385 HydrophobicContact CG1-CD2 3.84Å; V186-F385 HydrophobicContact CG1-CE2 3.62Å; V186-F385 HydrophobicContact CG1-CG 4.4Å; V186-F385 HydrophobicContact CG1-CZ 4.1Å; V186-F385 HydrophobicContact CG2-CB 3.71Å; V186-F385 HydrophobicContact CG2-CD2 3.49Å; V186-F385 VanDerWaalsContact CG2-CD2 3.49Å; V186-F385 HydrophobicContact CG2-CE2 4.18Å; V186-F385 HydrophobicContact CG2-CG 3.71Å; V186-A411 HydrophobicContact CG1-CB 3.72Å; V186-I415 HydrophobicContact CB-CD1 3.83Å; V186-I415 HydrophobicContact CG1-CD1 3.67Å; V186-I415 HydrophobicContact CG2-CD1 3.71Å
187L95.8Very high92.1Very high5 Ų530 Ų303%0.02616%0.16CC..Hα-helixtrans-62.8-36.1178.6-63.3171.4000111.9W101 Y183 Q191 Y398 M403 F408 A411W101-L187 HydrophobicContact CB-CD1 4.35Å; W101-L187 HydrophobicContact CD2-CB 3.76Å; W101-L187 HydrophobicContact CD2-CD1 3.89Å; W101-L187 HydrophobicContact CD2-CG 4.47Å; W101-L187 HydrophobicContact CE3-CB 4.13Å; W101-L187 HydrophobicContact CE3-CD1 3.64Å; W101-L187 HydrophobicContact CE3-CG 4.44Å; W101-L187 HydrophobicContact CG-CB 4.12Å; W101-L187 HydrophobicContact CG-CD1 4.2Å; W101-L187 HydrophobicContact CH2-CB 4.47Å; W101-L187 HydrophobicContact CZ2-CB 4.11Å; W101-L187 HydrophobicContact CZ3-CB 4.47Å; W101-L187 HydrophobicContact CZ3-CD1 4.25Å; Y183-L187 VanDerWaalsContact O-CG 3.3Å; Y183-L187 WeakPolarHBondContact O-CG 3.21Å; Y183-L187 PolarHBondContact O-N 3.1Å; Y183-L187 VanDerWaalsContact O-N 3.1Å; L187-Q191 PolarHBondContact O-N 3.47Å; L187-Y398 HydrophobicContact CD1-CD1 4.29Å; L187-Y398 HydrophobicContact CD1-CE1 4.27Å; L187-M403 HydrophobicContact CD1-CE 3.67Å; L187-M403 HydrophobicContact CD1-SD 4.01Å; L187-M403 HydrophobicContact CD2-CE 3.38Å; L187-M403 HydrophobicContact CG-CE 4.17Å; L187-F408 HydrophobicContact CD1-CE1 3.99Å; L187-F408 HydrophobicContact CD1-CZ 4.36Å; L187-F408 HydrophobicContact CD2-CD1 4.48Å; L187-A411 HydrophobicContact CD2-CB 3.77Å
188S95.9Very high93.1Very high0 Ų022.3 Ų22.30%012%0.119CC..Hα-helixtrans-74.1-40.2178.7-55.60000113.2W101 S145 N184 A185 V186 H190 Q191 L192W101-S188 VanDerWaalsContact CD1-OG 3.23Å; W101-S188 PolarHBondContact NE1-OG 3.36Å; S145-S188 VanDerWaalsContact CB-OG 3.25Å; S145-S188 WeakPolarHBondContact CB-OG 3.27Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.28Å; N184-S188 PolarHBondContact O-N 3.14Å; N184-S188 PolarHBondContact O-OG 2.71Å; A185-S188 PolarHBondContact O-N 3.23Å; V186-S188 VanDerWaalsContact C-N 3.26Å; V186-S188 PolarHBondContact O-N 3.03Å; S188-H190 VanDerWaalsContact C-N 3.3Å; S188-H190 PolarHBondContact O-N 3.39Å; S188-Q191 PolarHBondContact O-N 2.83Å; S188-L192 VanDerWaalsContact O-CG 3.32Å; S188-L192 WeakPolarHBondContact O-CG 3.41Å; S188-L192 PolarHBondContact O-N 3.48Å
189I95.1Very high93.6Very high0 Ų020.3 Ų20.30%011%0.107CC..Hα-helixtrans-62.3-42176.9-70.1161.7000109.9L139 M170 A185 V186 Q191 L192 I193 F265 F378 I415L139-I189 HydrophobicContact CD1-CG1 4.04Å; M170-I189 HydrophobicContact SD-CD1 4.45Å; A185-I189 WeakPolarHBondContact O-CB 3.17Å; A185-I189 WeakPolarHBondContact O-CD1 3.41Å; A185-I189 WeakPolarHBondContact O-CG1 3.31Å; A185-I189 PolarHBondContact O-N 3.33Å; V186-I189 PolarHBondContact O-N 3.18Å; I189-Q191 VanDerWaalsContact C-N 3.27Å; I189-Q191 PolarHBondContact O-N 3.22Å; I189-L192 PolarHBondContact O-N 3.31Å; I189-L192 VanDerWaalsContact O-N 3.08Å; I189-I193 HydrophobicContact CG2-CD1 4.01Å; I189-I193 HydrophobicContact CG2-CG1 4.28Å; I189-I193 VanDerWaalsContact O-CG1 3.27Å; I189-I193 WeakPolarHBondContact O-CG1 3.5Å; I189-I193 PolarHBondContact O-N 3.17Å; I189-F265 HydrophobicContact CG2-CZ 4.36Å; I189-F378 HydrophobicContact CD1-CD1 3.99Å; I189-F378 HydrophobicContact CD1-CE1 4.01Å; I189-F378 HydrophobicContact CG1-CE1 4.37Å; I189-F378 HydrophobicContact CG2-CD1 4.32Å; I189-F378 HydrophobicContact CG2-CE1 3.98Å; I189-I415 HydrophobicContact CB-CD1 4.08Å; I189-I415 HydrophobicContact CB-CG1 4.46Å; I189-I415 HydrophobicContact CD1-CD1 4.44Å; I189-I415 HydrophobicContact CG2-CD1 4.05Å; I189-I415 HydrophobicContact CG2-CG1 3.94Å
190H95.2Very high94Very high36 Ų3616.3 Ų16.317%0.1678%0.083CC..Hα-helixtrans-51.9-46.4174.517386.8000111.8V186 S188 A411 N414V186-H190 PolarHBondContact O-N 3.46Å; S188-H190 VanDerWaalsContact C-N 3.3Å; S188-H190 PolarHBondContact O-N 3.39Å; H190-A411 HydrophobicContact CB-CB 3.86Å; H190-N414 WeakPolarHBondContact ND1-CB 3.34Å; H190-N414 PolarHBondContact ND1-ND2 3.47Å
191Q94.9Very high94.2Very high30 Ų3016.1 Ų16.114%0.148%0.081CC..Hα-helixtrans-71.3-35.6176.9-63-62.9-32.700113.3W101 T149 N153 L187 S188 I189 E194 N195W101-Q191 HydrophobicContact CZ2-CG 4.2Å; T149-Q191 HydrophobicContact CG2-CB 3.76Å; T149-Q191 HydrophobicContact CG2-CG 4.39Å; N153-Q191 PolarHBondContact ND2-OE1 2.99Å; L187-Q191 PolarHBondContact O-N 3.47Å; S188-Q191 PolarHBondContact O-N 2.83Å; I189-Q191 VanDerWaalsContact C-N 3.27Å; I189-Q191 PolarHBondContact O-N 3.22Å; Q191-E194 PolarHBondContact O-N 3.34Å; Q191-N195 WeakPolarHBondContact O-CB 3.35Å; Q191-N195 PolarHBondContact O-N 2.95Å; Q191-N195 VanDerWaalsContact O-N 3.1Å; Q191-N195 PolarHBondContact O-ND2 3.42Å
192L94.7Very high94.3Very high0 Ų015.2 Ų15.20%08%0.077CC..Hα-helixtrans-65.2-37.5179.2-75.9169000112.5L139 M152 S188 I189 E194 N195 A196 H264 F265L139-L192 HydrophobicContact CD1-CD1 4Å; L139-L192 HydrophobicContact CD2-CD1 3.68Å; M152-L192 HydrophobicContact CE-CD2 3.93Å; M152-L192 HydrophobicContact SD-CD2 3.44Å; M152-L192 WeakPolarHBondContact SD-CD2 3.38Å; S188-L192 VanDerWaalsContact O-CG 3.32Å; S188-L192 WeakPolarHBondContact O-CG 3.41Å; S188-L192 PolarHBondContact O-N 3.48Å; I189-L192 PolarHBondContact O-N 3.31Å; I189-L192 VanDerWaalsContact O-N 3.08Å; L192-E194 PolarHBondContact O-N 3.47Å; L192-N195 PolarHBondContact O-N 3.22Å; L192-A196 HydrophobicContact CD2-CB 4.11Å; L192-A196 WeakPolarHBondContact O-CB 3.47Å; L192-A196 PolarHBondContact O-N 3.11Å; L192-H264 PolarHBondContact O-CE1 3.31Å; L192-H264 PolarHBondContact O-NE2 3.3Å; L192-F265 HydrophobicContact CB-CE1 4.33Å; L192-F265 HydrophobicContact CB-CZ 4.34Å
193I93.9Very high94.3Very high10 Ų1014.2 Ų14.25%0.0517%0.07CC..Hα-helixtrans-56.1-35179.3-69.3162.5000111.6I189 R262 H264 F265 L418I189-I193 HydrophobicContact CG2-CD1 4.01Å; I189-I193 HydrophobicContact CG2-CG1 4.28Å; I189-I193 VanDerWaalsContact O-CG1 3.27Å; I189-I193 WeakPolarHBondContact O-CG1 3.5Å; I189-I193 PolarHBondContact O-N 3.17Å; I193-R262 HydrophobicContact CG2-CB 4.32Å; I193-R262 HydrophobicContact CG2-CG 4.09Å; I193-H264 PolarHBondContact O-CE1 2.87Å; I193-F265 HydrophobicContact CG1-CE2 3.87Å; I193-F265 HydrophobicContact CG1-CZ 3.8Å; I193-L418 HydrophobicContact CD1-CB 4.26Å; I193-L418 HydrophobicContact CD1-CD2 3.83Å; I193-L418 HydrophobicContact CD1-CG 4.49Å; I193-L418 HydrophobicContact CG1-CD2 4Å
194E90.3Very high94.1Very high131 Ų13115.3 Ų15.361%0.6128%0.076SC*.Hα-helixtrans-94.6-35.4-176.3-62.2-174.4173.200112.6Q191 L192Q191-E194 PolarHBondContact O-N 3.34Å; L192-E194 PolarHBondContact O-N 3.47Å
195N92.1Very high93.8Very high23 Ų2316.9 Ų16.912%0.1238%0.084CC..Hα-helixtrans-105.1-14.1-165.4-63.3-72.6000114.7M152 N153 R156 Q191 L192M152-N195 HydrophobicContact CB-CB 4.4Å; N153-N195 PolarHBondContact OD1-ND2 3.36Å; N153-N195 PolarHBondContact OD1-OD1 3.14Å; R156-N195 PolarHBondContact NE-O 2.87Å; R156-N195 PolarHBondContact NH2-O 2.81Å; Q191-N195 WeakPolarHBondContact O-CB 3.35Å; Q191-N195 PolarHBondContact O-N 2.95Å; Q191-N195 VanDerWaalsContact O-N 3.1Å; Q191-N195 PolarHBondContact O-ND2 3.42Å; L192-N195 PolarHBondContact O-N 3.22Å
196A92.8Very high93.6Very high6 Ų617.3 Ų17.35%0.059%0.087CC..  trans-100142.1177.500000112.1L192 H264L192-A196 HydrophobicContact CD2-CB 4.11Å; L192-A196 WeakPolarHBondContact O-CB 3.47Å; L192-A196 PolarHBondContact O-N 3.11Å; A196-H264 PolarHBondContact O-CE1 3.38Å; A196-H264 VanDerWaalsContact O-CE1 3.24Å; A196-H264 PolarHBondContact O-NE2 3.44Å
197D93.2Very high93.4Very high48 Ų4817.3 Ų17.326%0.2579%0.087SC..SBendtrans-88.3-26.4171.8-64.8-68.2000111.8R156 I163 M164 H264R156-D197 IonicContact CZ-OD2 2.7Å; R156-D197 IonicContact NH1-OD1 2.8Å; R156-D197 IonicContact NH1-OD2 2.84Å; R156-D197 PolarHBondContact NH1-OD2 2.83Å; R156-D197 VanDerWaalsContact NH1-OD2 3.07Å; R156-D197 VanDerWaalsContact NH2-CG 3.27Å; R156-D197 IonicContact NH2-OD1 3.97Å; R156-D197 IonicContact NH2-OD2 2.63Å; R156-D197 PolarHBondContact NH2-OD2 3.02Å; I163-D197 WeakPolarHBondContact CA-OD2 3.41Å; I163-D197 HydrophobicContact CD1-CB 4.35Å; I163-D197 HydrophobicContact CG2-CB 4.17Å; M164-D197 PolarHBondContact N-OD2 2.73Å; M164-D197 PolarHBondContact O-N 2.94Å; D197-H264 VanDerWaalsContact O-CB 3.32Å; D197-H264 WeakPolarHBondContact O-CB 3.3Å
198A92.6Very high93.2Very high3 Ų320.5 Ų20.53%0.02510%0.099CC..EExtended strand (participates in β ladder)trans-152.3127.8176.200000110.6M164 N165 S166 F266M164-A198 PolarHBondContact O-N 2.86Å; N165-A198 CarbonylContact C-O 3.52Å; N165-A198 WeakPolarHBondContact CA-O 3.49Å; N165-A198 WeakPolarHBondContact OD1-CB 3.32Å; S166-A198 PolarHBondContact N-O 3.27Å; A198-F266 HydrophobicContact CB-CD2 4.19Å; A198-F266 HydrophobicContact CB-CE2 3.53Å; A198-F266 HydrophobicContact CB-CZ 4.34Å
199C95.1Very high92.9Very high0 Ų022.2 Ų22.20%011%0.108CC..EExtended strand (participates in β ladder)trans-119.8111.8177.6179.60000109.8S166 S168 C201 H264 F265 F266S166-C199 WeakPolarHBondContact O-CA 3.46Å; S166-C199 WeakPolarHBondContact OG-CA 3.5Å; S166-C199 WeakPolarHBondContact OG-CB 3.47Å; S166-C199 PolarHBondContact OG-SG 2.74Å; S166-C199 VanDerWaalsContact OG-SG 3.4Å; S168-C199 PolarHBondContact OG-SG 3Å; S168-C199 VanDerWaalsContact OG-SG 3.35Å; C199-C201 PolarHBondContact O-N 2.86Å; C199-H264 PolarHBondContact N-O 3.01Å; C199-F265 HydrophobicContact CB-CD1 3.57Å; C199-F265 HydrophobicContact CB-CE1 3.8Å; C199-F265 HydrophobicContact CB-CG 4.42Å; C199-F265 CarbonylContact O-C 3.57Å; C199-F265 WeakPolarHBondContact O-CA 3.34Å; C199-F266 PolarHBondContact O-N 3.49Å
200F95.7Very high92.7Very high2 Ų222.4 Ų22.41%0.00911%0.109CC..EExtended strand (participates in β ladder)trans-83.5106.9173.2-60.3-81.7000109.2S166 F167 S168 I202 I236 F266 I368S166-F200 WeakPolarHBondContact O-CD2 3.36Å; S166-F200 PolarHBondContact O-N 2.8Å; F167-F200 HydrophobicContact CD1-CB 3.72Å; F167-F200 AromaticContact CD1-CD2 3.93Å; F167-F200 HydrophobicContact CD1-CD2 3.93Å; F167-F200 HydrophobicContact CD1-CG 4.02Å; F167-F200 HydrophobicContact CD2-CD2 4.32Å; F167-F200 HydrophobicContact CE1-CB 3.92Å; F167-F200 HydrophobicContact CE1-CD1 4.47Å; F167-F200 AromaticContact CE1-CD2 3.55Å; F167-F200 HydrophobicContact CE1-CD2 3.55Å; F167-F200 HydrophobicContact CE1-CE2 4.2Å; F167-F200 AromaticContact CE1-CG 3.72Å; F167-F200 HydrophobicContact CE1-CG 3.72Å; F167-F200 AromaticContact CE2-CD2 3.93Å; F167-F200 HydrophobicContact CE2-CD2 3.93Å; F167-F200 HydrophobicContact CE2-CE2 4.2Å; F167-F200 HydrophobicContact CG-CB 4.43Å; F167-F200 HydrophobicContact CG-CD2 4.31Å; F167-F200 AromaticContact CZ-CD2 3.56Å; F167-F200 HydrophobicContact CZ-CD2 3.56Å; F167-F200 AromaticContact CZ-CE2 3.81Å; F167-F200 HydrophobicContact CZ-CE2 3.81Å; F167-F200 HydrophobicContact CZ-CG 4.19Å; S168-F200 PolarHBondContact N-O 2.89Å; F200-I202 PolarHBondContact O-N 2.85Å; F200-I236 HydrophobicContact CD1-CD1 3.66Å; F200-I236 HydrophobicContact CE1-CD1 3.86Å; F200-I236 HydrophobicContact CE1-CG1 4.34Å; F200-I236 HydrophobicContact CE1-CG2 3.8Å; F200-I236 HydrophobicContact CE2-CG2 4.2Å; F200-I236 HydrophobicContact CG-CD1 4.2Å; F200-I236 HydrophobicContact CZ-CG2 3.59Å; F200-F266 HydrophobicContact CD1-CB 4.01Å; F200-F266 AromaticContact CD1-CD2 3.93Å; F200-F266 HydrophobicContact CD1-CD2 3.93Å; F200-F266 HydrophobicContact CD1-CG 4.48Å; F200-F266 HydrophobicContact CE1-CB 4.35Å; F200-F266 AromaticContact CE1-CD2 3.6Å; F200-F266 HydrophobicContact CE1-CD2 3.6Å; F200-F266 HydrophobicContact CE1-CE2 4.4Å; F200-F266 HydrophobicContact CE1-CG 4.41Å; F200-F266 AromaticContact CZ-CD2 4Å; F200-F266 HydrophobicContact CZ-CD2 4Å; F200-F266 HydrophobicContact CZ-CE2 4.43Å; F200-I368 HydrophobicContact CD1-CG2 4.36Å; F200-I368 HydrophobicContact CE1-CD1 4.15Å; F200-I368 HydrophobicContact CE1-CG1 4.39Å; F200-I368 HydrophobicContact CE1-CG2 3.82Å
201C94.9Very high92.4Very high0 Ų020.7 Ų20.70%010%0.101CC..EExtended strand (participates in β ladder)trans-80112.9-178.5-63.10000110.2M170 C199 F266 P268 I374M170-C201 HydrophobicContact CE-CB 4.04Å; M170-C201 VanDerWaalsContact CE-SG 3.51Å; C199-C201 PolarHBondContact O-N 2.86Å; C201-F266 WeakPolarHBondContact CB-O 3.37Å; C201-F266 PolarHBondContact N-O 2.84Å; C201-P268 WeakPolarHBondContact O-CD 3.34Å; C201-I374 HydrophobicContact CB-CD1 3.93Å
202I94.7Very high92.2Very high4 Ų423.9 Ų23.92%0.02112%0.115CC..EExtended strand (participates in β ladder)trans-111115177.6-65.5156.8000107.6F167 S168 V169 M170 F200 L207 V229 P268F167-I202 HydrophobicContact CB-CD1 4.25Å; F167-I202 HydrophobicContact CD1-CD1 4.15Å; S168-I202 PolarHBondContact O-N 2.86Å; V169-I202 CarbonylContact C-O 3.54Å; V169-I202 VanDerWaalsContact CA-O 3.26Å; V169-I202 WeakPolarHBondContact CA-O 3.42Å; V169-I202 HydrophobicContact CG2-CB 4.41Å; V169-I202 HydrophobicContact CG2-CG2 4.37Å; M170-I202 PolarHBondContact N-O 2.83Å; F200-I202 PolarHBondContact O-N 2.85Å; I202-L207 HydrophobicContact CG2-CD1 3.64Å; I202-L207 HydrophobicContact CG2-CG 4.24Å; I202-V229 HydrophobicContact CD1-CG1 3.63Å; I202-V229 HydrophobicContact CG2-CG2 3.64Å; I202-P268 HydrophobicContact CG1-CG 4.3Å
203D92.8Very high91.8Very high0 Ų031.2 Ų31.20%014%0.143CC..EExtended strand (participates in β ladder)trans-100.7120.8-177.2-170.1-8.1000111.7M170 E205 A206 L207 M300 A302 R380M170-D203 HydrophobicContact CB-CB 4.42Å; D203-E205 PolarHBondContact O-N 3.44Å; D203-E205 WeakPolarHBondContact OD1-CB 3.36Å; D203-E205 PolarHBondContact OD1-N 2.88Å; D203-A206 HydrophobicContact CB-CB 4.14Å; D203-A206 PolarHBondContact O-N 2.87Å; D203-A206 VanDerWaalsContact O-N 3.08Å; D203-L207 WeakPolarHBondContact O-CG 3.5Å; D203-L207 PolarHBondContact O-N 3.06Å; D203-M300 PolarHBondContact N-O 3.03Å; D203-A302 WeakPolarHBondContact OD2-CB 3.46Å; D203-A302 PolarHBondContact OD2-N 2.78Å; D203-R380 IonicContact OD1-NH2 2.68Å; D203-R380 IonicContact OD2-CZ 2.85Å; D203-R380 VanDerWaalsContact OD2-CZ 3.28Å; D203-R380 IonicContact OD2-NH1 2.84Å; D203-R380 PolarHBondContact OD2-NH1 2.92Å; D203-R380 IonicContact OD2-NH2 3.99Å; D203-R380 PolarHBondContact OD2-NH2 3.37Å
204N90.3Very high91.4Very high23 Ų2332.7 Ų32.712%0.12315%0.152CC..Hα-helixtrans-57.2-30.8174.4-81.3-21.1000112.5V169 V175 Y208V169-N204 WeakPolarHBondContact CG1-OD1 3.32Å; V175-N204 HydrophobicContact CB-CB 4.11Å; V175-N204 HydrophobicContact CG1-CB 4.23Å; V175-N204 HydrophobicContact CG2-CB 4.03Å; N204-Y208 VanDerWaalsContact O-CB 3.31Å; N204-Y208 WeakPolarHBondContact O-CB 3.38Å; N204-Y208 PolarHBondContact O-N 3.37Å
205E89.1Confident91.3Very high34 Ų3428 Ų2816%0.15913%0.132CC..Hα-helixtrans-63.5-46.6175.1-167.1166.9165.500111.8S172 K174 D203 Y208 D209 A302 R380S172-E205 WeakPolarHBondContact OG-CB 3.38Å; K174-E205 HydrophobicContact CD-CG 3.99Å; K174-E205 WeakPolarHBondContact CE-OE1 3.17Å; K174-E205 IonicContact NZ-OE1 2.74Å; K174-E205 PolarHBondContact NZ-OE1 2.87Å; D203-E205 PolarHBondContact O-N 3.44Å; D203-E205 WeakPolarHBondContact OD1-CB 3.36Å; D203-E205 PolarHBondContact OD1-N 2.88Å; E205-Y208 PolarHBondContact O-N 3.23Å; E205-D209 WeakPolarHBondContact O-CB 3.41Å; E205-D209 PolarHBondContact O-N 3.3Å; E205-A302 HydrophobicContact CB-CB 4.08Å; E205-A302 HydrophobicContact CG-CB 4.3Å; E205-R380 IonicContact OE2-CZ 3.86Å; E205-R380 IonicContact OE2-NH1 3.26Å; E205-R380 PolarHBondContact OE2-NH1 3.48Å
206A91.4Very high91.1Very high8 Ų834.1 Ų34.17%0.06616%0.157CC..Hα-helixtrans-68.4-42.6179.900000111.4D203 Y208 D209 I210 A302D203-A206 HydrophobicContact CB-CB 4.14Å; D203-A206 PolarHBondContact O-N 2.87Å; D203-A206 VanDerWaalsContact O-N 3.08Å; A206-Y208 VanDerWaalsContact C-N 3.32Å; A206-Y208 PolarHBondContact O-N 3.41Å; A206-D209 PolarHBondContact O-N 3.4Å; A206-I210 WeakPolarHBondContact O-CB 3.44Å; A206-I210 VanDerWaalsContact O-CG1 3.28Å; A206-I210 WeakPolarHBondContact O-CG1 3.41Å; A206-I210 PolarHBondContact O-N 3.38Å; A206-A302 HydrophobicContact CB-CB 4.12Å
207L91.8Very high90.8Very high1 Ų136.5 Ų36.51%0.00517%0.168CC..Hα-helixtrans-59.6-44.2176-64.6177.2000111.6I202 D203 I210 C211 L225 L228 V229 M300I202-L207 HydrophobicContact CG2-CD1 3.64Å; I202-L207 HydrophobicContact CG2-CG 4.24Å; D203-L207 WeakPolarHBondContact O-CG 3.5Å; D203-L207 PolarHBondContact O-N 3.06Å; L207-I210 PolarHBondContact O-N 3.33Å; L207-C211 WeakPolarHBondContact O-CB 3.04Å; L207-C211 PolarHBondContact O-N 3.02Å; L207-C211 PolarHBondContact O-SG 3.08Å; L207-C211 VanDerWaalsContact O-SG 3.4Å; L207-L225 HydrophobicContact CB-CB 4.43Å; L207-L225 HydrophobicContact CB-CD2 4.04Å; L207-L225 HydrophobicContact CB-CG 3.85Å; L207-L225 HydrophobicContact CD1-CB 4.24Å; L207-L225 HydrophobicContact CD1-CD2 4.43Å; L207-L225 HydrophobicContact CD1-CG 4.44Å; L207-L228 HydrophobicContact CD2-CB 3.98Å; L207-L228 HydrophobicContact CD2-CD1 4.22Å; L207-V229 HydrophobicContact CD1-CG2 3.53Å; L207-V229 HydrophobicContact CD2-CG2 4.18Å; L207-M300 HydrophobicContact CD2-CB 4.42Å; L207-M300 HydrophobicContact CD2-CG 4.43Å; L207-M300 HydrophobicContact CD2-SD 3.37Å; L207-M300 WeakPolarHBondContact CD2-SD 3.32Å
208Y90.1Very high90.4Very high72 Ų7239.8 Ų39.828%0.28219%0.19SC..Hα-helixtrans-62.7-46.6176.9-171.9-86.8000111.5V175 N204 E205 A206 I210 C211 F212 P220V175-Y208 HydrophobicContact CG2-CD2 4.25Å; V175-Y208 HydrophobicContact CG2-CG 4.33Å; N204-Y208 VanDerWaalsContact O-CB 3.31Å; N204-Y208 WeakPolarHBondContact O-CB 3.38Å; N204-Y208 PolarHBondContact O-N 3.37Å; E205-Y208 PolarHBondContact O-N 3.23Å; A206-Y208 VanDerWaalsContact C-N 3.32Å; A206-Y208 PolarHBondContact O-N 3.41Å; Y208-I210 VanDerWaalsContact C-N 3.33Å; Y208-I210 PolarHBondContact O-N 2.94Å; Y208-C211 PolarHBondContact O-N 3.01Å; Y208-F212 HydrophobicContact CE1-CB 4.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.32Å; Y208-F212 PolarHBondContact O-N 3.1Å; Y208-P220 HydrophobicContact CD2-CB 4.03Å; Y208-P220 HydrophobicContact CD2-CG 4.1Å; Y208-P220 HydrophobicContact CE2-CB 3.96Å; Y208-P220 HydrophobicContact CE2-CG 3.78Å
209D90.5Very high90Very high35 Ų3544.9 Ų44.919%0.18722%0.222CC..Hα-helixtrans-63.6-37178.7-82.7-17.6000112K174 E205 A206 R213K174-D209 IonicContact NZ-OD1 2.95Å; K174-D209 IonicContact NZ-OD2 3.97Å; K174-D209 PolarHBondContact NZ-OD2 2.81Å; E205-D209 WeakPolarHBondContact O-CB 3.41Å; E205-D209 PolarHBondContact O-N 3.3Å; A206-D209 PolarHBondContact O-N 3.4Å; D209-R213 WeakPolarHBondContact O-CA 3.46Å; D209-R213 WeakPolarHBondContact O-CB 3.41Å; D209-R213 WeakPolarHBondContact O-CG 3.31Å; D209-R213 PolarHBondContact O-N 2.85Å; D209-R213 IonicContact OD1-CZ 3.52Å; D209-R213 IonicContact OD1-NE 3.36Å
210I90.7Very high89.7Confident4 Ų446 Ų462%0.02123%0.228CC..Iπ-helixtrans-62.9-51.7172.9-72.7166.9000110.8A206 L207 Y208 F212 T214 L215 L228 L273 R297 T299 M300A206-I210 WeakPolarHBondContact O-CB 3.44Å; A206-I210 VanDerWaalsContact O-CG1 3.28Å; A206-I210 WeakPolarHBondContact O-CG1 3.41Å; A206-I210 PolarHBondContact O-N 3.38Å; L207-I210 PolarHBondContact O-N 3.33Å; Y208-I210 VanDerWaalsContact C-N 3.33Å; Y208-I210 PolarHBondContact O-N 2.94Å; I210-F212 VanDerWaalsContact C-N 3.33Å; I210-F212 PolarHBondContact O-N 3.44Å; I210-T214 WeakPolarHBondContact O-CA 3.41Å; I210-T214 VanDerWaalsContact O-CB 3.23Å; I210-T214 WeakPolarHBondContact O-CB 3.41Å; I210-T214 PolarHBondContact O-N 3.39Å; I210-L215 PolarHBondContact O-N 3.36Å; I210-L228 HydrophobicContact CB-CD1 4.23Å; I210-L228 HydrophobicContact CG2-CD1 3.67Å; I210-L273 HydrophobicContact CD1-CD1 4.22Å; I210-L273 HydrophobicContact CG2-CD1 3.82Å; I210-L273 HydrophobicContact CG2-CD2 4.44Å; I210-R297 WeakPolarHBondContact CG1-O 3.43Å; I210-T299 WeakPolarHBondContact CD1-O 3.5Å; I210-M300 HydrophobicContact CD1-CE 4.33Å; I210-M300 HydrophobicContact CD1-SD 3.58Å; I210-M300 VanDerWaalsContact CD1-SD 3.58Å
211C90.1Very high89.4Confident0 Ų049.6 Ų49.60%025%0.251CS..Iπ-helixtrans-59-45.6-179.8-75.90000111.7L207 Y208 L215 K216 L217 P220 L228L207-C211 WeakPolarHBondContact O-CB 3.04Å; L207-C211 PolarHBondContact O-N 3.02Å; L207-C211 PolarHBondContact O-SG 3.08Å; L207-C211 VanDerWaalsContact O-SG 3.4Å; Y208-C211 PolarHBondContact O-N 3.01Å; C211-L215 CarbonylContact O-C 3.6Å; C211-L215 WeakPolarHBondContact O-CB 3.26Å; C211-K216 PolarHBondContact O-N 2.85Å; C211-L217 HydrophobicContact CB-CD1 4.22Å; C211-L217 WeakPolarHBondContact O-CB 3.33Å; C211-L217 PolarHBondContact O-N 2.99Å; C211-P220 HydrophobicContact CB-CB 3.74Å; C211-P220 HydrophobicContact CB-CG 3.8Å; C211-L228 VanDerWaalsContact SG-CD1 3.52Å
212F88.9Confident89Confident97 Ų9755.1 Ų55.143%0.42527%0.273SS..Iπ-helixtrans-75.1-50.6-176.7-174-104.1000112.5Y208 I210 K216 L217 P220Y208-F212 HydrophobicContact CE1-CB 4.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.32Å; Y208-F212 PolarHBondContact O-N 3.1Å; I210-F212 VanDerWaalsContact C-N 3.33Å; I210-F212 PolarHBondContact O-N 3.44Å; F212-K216 WeakPolarHBondContact O-CA 3.43Å; F212-L217 VanDerWaalsContact CD2-O 3.31Å; F212-L217 WeakPolarHBondContact CD2-O 3.41Å; F212-P220 HydrophobicContact CB-CG 4.15Å
213R87.1Confident88.6Confident154 Ų15456.8 Ų56.858%0.58129%0.291SS*.Iπ-helixtrans-86.6-41.3-171.7-59.2179.7178.3176.61.2113D209 K216D209-R213 WeakPolarHBondContact O-CA 3.46Å; D209-R213 WeakPolarHBondContact O-CB 3.41Å; D209-R213 WeakPolarHBondContact O-CG 3.31Å; D209-R213 PolarHBondContact O-N 2.85Å; D209-R213 IonicContact OD1-CZ 3.52Å; D209-R213 IonicContact OD1-NE 3.36Å; R213-K216 WeakPolarHBondContact O-CD 3.4Å; R213-K216 VanDerWaalsContact O-CE 3.22Å; R213-K216 WeakPolarHBondContact O-CE 3.4Å; R213-K216 PolarHBondContact O-NZ 3.04Å
214T86.3Confident88.5Confident41 Ų4159.4 Ų59.425%0.25231%0.305SS..Iπ-helixtrans-91-49.6-173.5-560000111.2I210 K216 L273I210-T214 WeakPolarHBondContact O-CA 3.41Å; I210-T214 VanDerWaalsContact O-CB 3.23Å; I210-T214 WeakPolarHBondContact O-CB 3.41Å; I210-T214 PolarHBondContact O-N 3.39Å; T214-K216 VanDerWaalsContact C-N 3.32Å; T214-L273 HydrophobicContact CG2-CB 4.05Å
215L86.7Confident88.5Confident34 Ų3458.5 Ų58.518%0.17830%0.3CS..SBendtrans-82.4-9.3179.3-58.8-179.5000113.9I210 C211 L217 L228 A275I210-L215 PolarHBondContact O-N 3.36Å; C211-L215 CarbonylContact O-C 3.6Å; C211-L215 WeakPolarHBondContact O-CB 3.26Å; L215-L217 VanDerWaalsContact C-N 3.26Å; L215-L217 HydrophobicContact CB-CD1 4.44Å; L215-L217 HydrophobicContact CB-CG 4.08Å; L215-L217 PolarHBondContact O-N 3.49Å; L215-L228 HydrophobicContact CD1-CD2 4.25Å; L215-A275 WeakPolarHBondContact O-CB 3.36Å
216K88Confident88.7Confident150 Ų15057.5 Ų57.565%0.65230%0.296SS*.  trans60.132.4178.9-55-59.3-174-165.60113.5C211 F212 R213 T214C211-K216 PolarHBondContact O-N 2.85Å; F212-K216 WeakPolarHBondContact O-CA 3.43Å; R213-K216 WeakPolarHBondContact O-CD 3.4Å; R213-K216 VanDerWaalsContact O-CE 3.22Å; R213-K216 WeakPolarHBondContact O-CE 3.4Å; R213-K216 PolarHBondContact O-NZ 3.04Å; T214-K216 VanDerWaalsContact C-N 3.32Å
217L86.3Confident88.6Confident56 Ų5661.4 Ų61.429%0.29331%0.312SS..  trans-79.2122.7172.3-57.3-179.5000109C211 F212 L215 T219 P220 D224C211-L217 HydrophobicContact CB-CD1 4.22Å; C211-L217 WeakPolarHBondContact O-CB 3.33Å; C211-L217 PolarHBondContact O-N 2.99Å; F212-L217 VanDerWaalsContact CD2-O 3.31Å; F212-L217 WeakPolarHBondContact CD2-O 3.41Å; L215-L217 VanDerWaalsContact C-N 3.26Å; L215-L217 HydrophobicContact CB-CD1 4.44Å; L215-L217 HydrophobicContact CB-CG 4.08Å; L215-L217 PolarHBondContact O-N 3.49Å; L217-T219 VanDerWaalsContact C-N 3.34Å; L217-P220 HydrophobicContact CB-CG 4.48Å; L217-D224 HydrophobicContact CD1-CB 4.01Å
218T84.6Confident88.6Confident117 Ų11761.6 Ų61.672%0.71831%0.313SS*.SBendtrans-69.6-32.7-177.950.20000112.8
219T85.9Confident88.8Confident111 Ų11158.3 Ų58.368%0.68130%0.301SS*.SBendtrans-137.384.5-179.543.90000109.6L217 T221L217-T219 VanDerWaalsContact C-N 3.34Å; T219-T221 PolarHBondContact O-N 2.84Å
220P87.2Confident88.8Confident22 Ų2256.6 Ų56.614%0.14329%0.292CS..  trans-60.1130.7177.5-2334.1000111.6Y208 C211 F212 L217 L225Y208-P220 HydrophobicContact CD2-CB 4.03Å; Y208-P220 HydrophobicContact CD2-CG 4.1Å; Y208-P220 HydrophobicContact CE2-CB 3.96Å; Y208-P220 HydrophobicContact CE2-CG 3.78Å; C211-P220 HydrophobicContact CB-CB 3.74Å; C211-P220 HydrophobicContact CB-CG 3.8Å; F212-P220 HydrophobicContact CB-CG 4.15Å; L217-P220 HydrophobicContact CB-CG 4.48Å; P220-L225 HydrophobicContact CB-CD1 4.05Å
221T89.4Confident88.9Confident78 Ų7857.3 Ų57.348%0.47930%0.295SS..  trans-103.5161.2174.968.30000111.1T219 G223 D224 L225T219-T221 PolarHBondContact O-N 2.84Å; T221-G223 PolarHBondContact O-N 3.05Å; T221-G223 VanDerWaalsContact O-N 3.13Å; T221-G223 PolarHBondContact OG1-N 3.42Å; T221-D224 PolarHBondContact N-OD2 3.41Å; T221-D224 WeakPolarHBondContact O-CB 3.48Å; T221-D224 PolarHBondContact O-N 3.22Å; T221-D224 PolarHBondContact OG1-N 3.44Å; T221-D224 PolarHBondContact OG1-OD2 2.92Å; T221-L225 WeakPolarHBondContact O-CD1 3.37Å; T221-L225 PolarHBondContact O-N 2.8Å
222Y86.4Confident89Confident117 Ų11757.4 Ų57.446%0.45930%0.296SS..Hα-helixtrans-56.1-28.8172.4-78.5-70.2000113V175 D224 L225 N226V175-Y222 HydrophobicContact CG1-CE1 3.81Å; V175-Y222 WeakPolarHBondContact CG1-OH 3.44Å; V175-Y222 PolarHBondContact O-OH 3.04Å; Y222-D224 VanDerWaalsContact C-N 3.33Å; Y222-D224 PolarHBondContact O-N 3.1Å; Y222-L225 PolarHBondContact O-N 3.35Å; Y222-N226 VanDerWaalsContact O-CB 3.24Å; Y222-N226 WeakPolarHBondContact O-CB 3.27Å; Y222-N226 PolarHBondContact O-N 2.99Å; Y222-N226 PolarHBondContact O-ND2 3.13Å; Y222-N226 PolarHBondContact O-OD1 3.12Å
223G88.3Confident89.2Confident39 Ų3952.8 Ų52.840%0.40228%0.275SS..Hα-helixtrans-61.6-39.517300000113T221 H227T221-G223 PolarHBondContact O-N 3.05Å; T221-G223 VanDerWaalsContact O-N 3.13Å; T221-G223 PolarHBondContact OG1-N 3.42Å; G223-H227 WeakPolarHBondContact O-CB 3.47Å; G223-H227 PolarHBondContact O-N 3.21Å
224D89.6Confident89.5Confident55 Ų5545.5 Ų45.529%0.29425%0.248SC..Hα-helixtrans-70.7-42.5178.2-55.2-56.1000111.3L217 T221 Y222 H227 L228L217-D224 HydrophobicContact CD1-CB 4.01Å; T221-D224 PolarHBondContact N-OD2 3.41Å; T221-D224 WeakPolarHBondContact O-CB 3.48Å; T221-D224 PolarHBondContact O-N 3.22Å; T221-D224 PolarHBondContact OG1-N 3.44Å; T221-D224 PolarHBondContact OG1-OD2 2.92Å; Y222-D224 VanDerWaalsContact C-N 3.33Å; Y222-D224 PolarHBondContact O-N 3.1Å; D224-H227 WeakPolarHBondContact O-CB 3.33Å; D224-H227 PolarHBondContact O-N 2.85Å; D224-L228 PolarHBondContact O-N 3.28Å
225L90.8Very high89.7Confident4 Ų443.5 Ų43.52%0.02124%0.236CC..Hα-helixtrans-61.5-49.7175.4-80.772.2000110.3V175 L207 P220 T221 Y222 H227 L228 V229V175-L225 HydrophobicContact CG1-CD2 4.43Å; L207-L225 HydrophobicContact CB-CB 4.43Å; L207-L225 HydrophobicContact CB-CD2 4.04Å; L207-L225 HydrophobicContact CB-CG 3.85Å; L207-L225 HydrophobicContact CD1-CB 4.24Å; L207-L225 HydrophobicContact CD1-CD2 4.43Å; L207-L225 HydrophobicContact CD1-CG 4.44Å; P220-L225 HydrophobicContact CB-CD1 4.05Å; T221-L225 WeakPolarHBondContact O-CD1 3.37Å; T221-L225 PolarHBondContact O-N 2.8Å; Y222-L225 PolarHBondContact O-N 3.35Å; L225-H227 PolarHBondContact O-N 3.26Å; L225-L228 WeakPolarHBondContact O-CB 3.05Å; L225-L228 PolarHBondContact O-N 3.04Å; L225-L228 VanDerWaalsContact O-N 3.1Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 2.99Å
226N91.9Very high89.9Confident13 Ų1342.2 Ų42.27%0.0723%0.229CC..Hα-helixtrans-62.2-31.4179.3-67.1-15000112I16 K19 Y222 V229 S230I16-N226 HydrophobicContact CG1-CB 4.48Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.4Å; K19-N226 HydrophobicContact CG-CB 4.19Å; Y222-N226 VanDerWaalsContact O-CB 3.24Å; Y222-N226 WeakPolarHBondContact O-CB 3.27Å; Y222-N226 PolarHBondContact O-N 2.99Å; Y222-N226 PolarHBondContact O-ND2 3.13Å; Y222-N226 PolarHBondContact O-OD1 3.12Å; N226-V229 PolarHBondContact O-N 2.72Å; N226-S230 WeakPolarHBondContact O-CB 3.5Å; N226-S230 PolarHBondContact O-N 2.63Å; N226-S230 PolarHBondContact O-OG 3.08Å
227H90.4Very high90.1Very high90 Ų9035.2 Ų35.242%0.41720%0.199SC..Hα-helixtrans-63-46.3173.5-176.256000111.7G223 D224 L225 V229 S230 L231G223-H227 WeakPolarHBondContact O-CB 3.47Å; G223-H227 PolarHBondContact O-N 3.21Å; D224-H227 WeakPolarHBondContact O-CB 3.33Å; D224-H227 PolarHBondContact O-N 2.85Å; L225-H227 PolarHBondContact O-N 3.26Å; H227-V229 VanDerWaalsContact C-N 3.34Å; H227-V229 PolarHBondContact O-N 2.73Å; H227-S230 PolarHBondContact O-N 3.27Å; H227-S230 PolarHBondContact O-OG 3.18Å; H227-L231 WeakPolarHBondContact O-CG 3.49Å; H227-L231 PolarHBondContact O-N 3.32Å
228L91.2Very high90.3Very high4 Ų432.5 Ų32.52%0.02119%0.185CC..Hα-helixtrans-61.2-41.4175.5-69.4-179.9000112.7L207 I210 C211 L215 D224 L225 L231 T232 L273 M300L207-L228 HydrophobicContact CD2-CB 3.98Å; L207-L228 HydrophobicContact CD2-CD1 4.22Å; I210-L228 HydrophobicContact CB-CD1 4.23Å; I210-L228 HydrophobicContact CG2-CD1 3.67Å; C211-L228 VanDerWaalsContact SG-CD1 3.52Å; L215-L228 HydrophobicContact CD1-CD2 4.25Å; D224-L228 PolarHBondContact O-N 3.28Å; L225-L228 WeakPolarHBondContact O-CB 3.05Å; L225-L228 PolarHBondContact O-N 3.04Å; L225-L228 VanDerWaalsContact O-N 3.1Å; L228-L231 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-N 2.88Å; L228-T232 VanDerWaalsContact O-N 3.11Å; L228-T232 PolarHBondContact O-OG1 3.08Å; L228-L273 HydrophobicContact CD2-CD2 3.57Å; L228-M300 HydrophobicContact CB-CE 4.12Å; L228-M300 HydrophobicContact CD2-CE 4.38Å
229V93.5Very high90.3Very high3 Ų327.6 Ų27.62%0.01816%0.155CC..Hα-helixtrans-63.6-45.6176.5-179.30000110.7I16 I202 L207 L225 N226 H227 L231 T232 M233I16-V229 HydrophobicContact CD1-CG1 4.26Å; I16-V229 HydrophobicContact CG1-CG1 4.44Å; I16-V229 HydrophobicContact CG2-CB 4.23Å; I16-V229 HydrophobicContact CG2-CG1 3.46Å; I16-V229 VanDerWaalsContact CG2-CG1 3.46Å; I202-V229 HydrophobicContact CD1-CG1 3.63Å; I202-V229 HydrophobicContact CG2-CG2 3.64Å; L207-V229 HydrophobicContact CD1-CG2 3.53Å; L207-V229 HydrophobicContact CD2-CG2 4.18Å; L225-V229 WeakPolarHBondContact O-CG2 3.32Å; L225-V229 PolarHBondContact O-N 2.99Å; N226-V229 PolarHBondContact O-N 2.72Å; H227-V229 VanDerWaalsContact C-N 3.34Å; H227-V229 PolarHBondContact O-N 2.73Å; V229-L231 VanDerWaalsContact C-N 3.33Å; V229-L231 PolarHBondContact O-N 2.88Å; V229-T232 WeakPolarHBondContact O-CB 3.4Å; V229-T232 PolarHBondContact O-N 3.32Å; V229-T232 VanDerWaalsContact O-N 3.14Å; V229-M233 HydrophobicContact CG1-CG 4.19Å; V229-M233 HydrophobicContact CG1-SD 3.88Å; V229-M233 WeakPolarHBondContact O-CG 3.5Å; V229-M233 PolarHBondContact O-N 2.92Å
230S92.5Very high90.3Very high0 Ų022.8 Ų22.80%013%0.125CC..Hα-helixtrans-62.4-37.6179.271.90000113M23 N226 H227 T232 S234M23-S230 WeakPolarHBondContact CG-OG 3.28Å; N226-S230 WeakPolarHBondContact O-CB 3.5Å; N226-S230 PolarHBondContact O-N 2.63Å; N226-S230 PolarHBondContact O-OG 3.08Å; H227-S230 PolarHBondContact O-N 3.27Å; H227-S230 PolarHBondContact O-OG 3.18Å; S230-T232 VanDerWaalsContact C-N 3.35Å; S230-S234 VanDerWaalsContact O-CB 3.29Å; S230-S234 WeakPolarHBondContact O-CB 3.45Å; S230-S234 PolarHBondContact O-N 3.43Å
231L91.3Very high90.4Very high19 Ų1921.8 Ų21.810%0.09912%0.119CC..Hα-helixtrans-62.1-44.1173.5-76.6167.7000111.4M23 H227 L228 V229 S234 G235 F270M23-L231 HydrophobicContact CE-CD2 3.39Å; M23-L231 HydrophobicContact CE-CG 4.04Å; H227-L231 WeakPolarHBondContact O-CG 3.49Å; H227-L231 PolarHBondContact O-N 3.32Å; L228-L231 PolarHBondContact O-N 3.46Å; V229-L231 VanDerWaalsContact C-N 3.33Å; V229-L231 PolarHBondContact O-N 2.88Å; L231-S234 PolarHBondContact O-N 2.94Å; L231-G235 PolarHBondContact O-N 2.94Å; L231-F270 HydrophobicContact CB-CD2 4.29Å; L231-F270 HydrophobicContact CB-CE1 4.47Å; L231-F270 HydrophobicContact CB-CE2 4.18Å; L231-F270 HydrophobicContact CB-CG 4.48Å; L231-F270 HydrophobicContact CB-CZ 4.28Å; L231-F270 HydrophobicContact CD1-CE1 4.28Å; L231-F270 HydrophobicContact CD2-CZ 4.11Å
232T92.5Very high90.3Very high1 Ų118.1 Ų18.11%0.00610%0.096CC..Hα-helixtrans-65.8-47179.3-56.90000111.3L228 V229 S230 S234 G235 I236 P268L228-T232 PolarHBondContact O-N 2.88Å; L228-T232 VanDerWaalsContact O-N 3.11Å; L228-T232 PolarHBondContact O-OG1 3.08Å; V229-T232 WeakPolarHBondContact O-CB 3.4Å; V229-T232 PolarHBondContact O-N 3.32Å; V229-T232 VanDerWaalsContact O-N 3.14Å; S230-T232 VanDerWaalsContact C-N 3.35Å; T232-S234 PolarHBondContact O-N 3.36Å; T232-G235 PolarHBondContact O-N 3.05Å; T232-I236 HydrophobicContact CG2-CD1 3.84Å; T232-I236 VanDerWaalsContact O-CG1 3.3Å; T232-I236 WeakPolarHBondContact O-CG1 3.45Å; T232-I236 PolarHBondContact O-N 3.42Å; T232-P268 HydrophobicContact CG2-CB 3.58Å; T232-P268 HydrophobicContact CG2-CG 4.25Å
233M93.9Very high90Very high0 Ų014.1 Ų14.10%09%0.085CC..Hα-helixtrans-61.5-42.9175.3-69.8176.271.500112I16 F20 V136 F167 V229 G235 I236 T237I16-M233 HydrophobicContact CG2-SD 3.49Å; I16-M233 WeakPolarHBondContact CG2-SD 3.48Å; F20-M233 HydrophobicContact CB-CE 4.01Å; F20-M233 HydrophobicContact CB-SD 4.25Å; F20-M233 HydrophobicContact CD1-CE 4.26Å; F20-M233 HydrophobicContact CD2-CB 3.59Å; F20-M233 HydrophobicContact CD2-CE 3.89Å; F20-M233 HydrophobicContact CD2-SD 4.4Å; F20-M233 HydrophobicContact CE2-CB 3.96Å; F20-M233 HydrophobicContact CE2-CE 4.42Å; F20-M233 HydrophobicContact CG-CE 3.79Å; F20-M233 HydrophobicContact CG-SD 4.48Å; V136-M233 HydrophobicContact CG1-CE 4.44Å; V136-M233 HydrophobicContact CG2-CE 3.53Å; F167-M233 HydrophobicContact CD1-CG 3.65Å; F167-M233 HydrophobicContact CD1-SD 4.43Å; F167-M233 HydrophobicContact CD2-CE 4.19Å; F167-M233 HydrophobicContact CE1-CB 4.38Å; F167-M233 HydrophobicContact CE1-CG 3.7Å; F167-M233 HydrophobicContact CG-CE 4.17Å; F167-M233 HydrophobicContact CG-CG 4.22Å; F167-M233 HydrophobicContact CG-SD 4.49Å; F167-M233 HydrophobicContact CZ-CG 4.33Å; V229-M233 HydrophobicContact CG1-CG 4.19Å; V229-M233 HydrophobicContact CG1-SD 3.88Å; V229-M233 WeakPolarHBondContact O-CG 3.5Å; V229-M233 PolarHBondContact O-N 2.92Å; M233-G235 VanDerWaalsContact C-N 3.31Å; M233-G235 PolarHBondContact O-N 3.47Å; M233-I236 PolarHBondContact O-N 3.17Å; M233-T237 WeakPolarHBondContact O-CB 3.45Å; M233-T237 VanDerWaalsContact O-CG2 3.24Å; M233-T237 WeakPolarHBondContact O-CG2 3.27Å; M233-T237 PolarHBondContact O-N 3.01Å; M233-T237 PolarHBondContact O-OG1 3.07Å
234S92.9Very high89.2Confident1 Ų113.4 Ų13.41%0.0078%0.077CC..Hα-helixtrans-59.7-44.1174.3175.20000111.2E27 S230 L231 T232 T237 T238 R241 R318E27-S234 PolarHBondContact OE1-OG 3.47Å; E27-S234 PolarHBondContact OE2-OG 3.18Å; S230-S234 VanDerWaalsContact O-CB 3.29Å; S230-S234 WeakPolarHBondContact O-CB 3.45Å; S230-S234 PolarHBondContact O-N 3.43Å; L231-S234 PolarHBondContact O-N 2.94Å; T232-S234 PolarHBondContact O-N 3.36Å; S234-T237 PolarHBondContact O-N 3.05Å; S234-T237 PolarHBondContact O-OG1 3.07Å; S234-T238 PolarHBondContact O-N 3.5Å; S234-T238 VanDerWaalsContact O-N 3.12Å; S234-T238 PolarHBondContact O-OG1 3.26Å; S234-R241 PolarHBondContact O-NH2 3.42Å; S234-R241 PolarHBondContact OG-NH2 3.23Å; S234-R318 PolarHBondContact OG-NH1 2.68Å; S234-R318 VanDerWaalsContact OG-NH1 3.16Å
235G91.1Very high87.9Confident0 Ų018.3 Ų18.30%010%0.098CC..Hα-helixtrans-60.2-50.5176.600000113.6L231 T232 M233 T237 T238 I316 T366L231-G235 PolarHBondContact O-N 2.94Å; T232-G235 PolarHBondContact O-N 3.05Å; M233-G235 VanDerWaalsContact C-N 3.31Å; M233-G235 PolarHBondContact O-N 3.47Å; G235-T237 VanDerWaalsContact C-N 3.29Å; G235-T237 PolarHBondContact O-N 3.43Å; G235-T238 VanDerWaalsContact O-CB 3.24Å; G235-T238 WeakPolarHBondContact O-CB 3.39Å; G235-T238 PolarHBondContact O-N 2.81Å; G235-T238 PolarHBondContact O-OG1 2.9Å; G235-T238 VanDerWaalsContact O-OG1 3.09Å; G235-I316 WeakPolarHBondContact O-CD1 3.44Å; G235-T366 VanDerWaalsContact CA-OG1 3.24Å; G235-T366 WeakPolarHBondContact CA-OG1 3.47Å
236I90.9Very high86.5Confident6 Ų622.1 Ų22.13%0.03112%0.118CC..Hα-helixtrans-60.5-39.8179.4-68.4163.6000111.2F167 F200 T232 M233 T238 P268 T366 I368F167-I236 HydrophobicContact CE1-CD1 3.76Å; F167-I236 HydrophobicContact CZ-CD1 4.39Å; F167-I236 HydrophobicContact CZ-CG2 4.16Å; F200-I236 HydrophobicContact CD1-CD1 3.66Å; F200-I236 HydrophobicContact CE1-CD1 3.86Å; F200-I236 HydrophobicContact CE1-CG1 4.34Å; F200-I236 HydrophobicContact CE1-CG2 3.8Å; F200-I236 HydrophobicContact CE2-CG2 4.2Å; F200-I236 HydrophobicContact CG-CD1 4.2Å; F200-I236 HydrophobicContact CZ-CG2 3.59Å; T232-I236 HydrophobicContact CG2-CD1 3.84Å; T232-I236 VanDerWaalsContact O-CG1 3.3Å; T232-I236 WeakPolarHBondContact O-CG1 3.45Å; T232-I236 PolarHBondContact O-N 3.42Å; M233-I236 PolarHBondContact O-N 3.17Å; I236-T238 VanDerWaalsContact C-N 3.31Å; I236-T238 PolarHBondContact O-N 2.62Å; I236-P268 HydrophobicContact CD1-CB 4.13Å; I236-T366 HydrophobicContact CG1-CG2 3.94Å; I236-I368 HydrophobicContact CB-CD1 4.36Å; I236-I368 HydrophobicContact CG1-CD1 3.87Å; I236-I368 HydrophobicContact CG1-CG1 3.94Å; I236-I368 HydrophobicContact CG2-CD1 4.02Å
237T91.3Very high84.7Confident3 Ų325.3 Ų25.32%0.01814%0.135CC..THydrogen-bonded Turntrans-85.2-0.5-177.660.40000113.7F20 Y50 M233 S234 G235 S239 L240 R241F20-T237 HydrophobicContact CE2-CG2 4.34Å; F20-T237 HydrophobicContact CZ-CG2 4.34Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.46Å; M233-T237 WeakPolarHBondContact O-CB 3.45Å; M233-T237 VanDerWaalsContact O-CG2 3.24Å; M233-T237 WeakPolarHBondContact O-CG2 3.27Å; M233-T237 PolarHBondContact O-N 3.01Å; M233-T237 PolarHBondContact O-OG1 3.07Å; S234-T237 PolarHBondContact O-N 3.05Å; S234-T237 PolarHBondContact O-OG1 3.07Å; G235-T237 VanDerWaalsContact C-N 3.29Å; G235-T237 PolarHBondContact O-N 3.43Å; T237-S239 PolarHBondContact O-N 3.15Å; T237-L240 HydrophobicContact CG2-CD1 4.42Å; T237-L240 WeakPolarHBondContact O-CB 3.39Å; T237-L240 PolarHBondContact O-N 3.25Å; T237-L240 VanDerWaalsContact O-N 3.13Å; T237-R241 WeakPolarHBondContact O-CG 3.2Å; T237-R241 PolarHBondContact O-N 3.24Å; T237-R241 PolarHBondContact OG1-NE 3.14Å; T237-R241 VanDerWaalsContact OG1-NE 3.11Å
238T89.9Confident83.3Confident0 Ų021.8 Ų21.80%012%0.121CC..Hα-helixtrans-61.1-41.7-175.7-66.90000112.3S234 G235 I236 L240 R241 F242 I316 R318 C354S234-T238 PolarHBondContact O-N 3.5Å; S234-T238 VanDerWaalsContact O-N 3.12Å; S234-T238 PolarHBondContact O-OG1 3.26Å; G235-T238 VanDerWaalsContact O-CB 3.24Å; G235-T238 WeakPolarHBondContact O-CB 3.39Å; G235-T238 PolarHBondContact O-N 2.81Å; G235-T238 PolarHBondContact O-OG1 2.9Å; G235-T238 VanDerWaalsContact O-OG1 3.09Å; I236-T238 VanDerWaalsContact C-N 3.31Å; I236-T238 PolarHBondContact O-N 2.62Å; T238-L240 PolarHBondContact O-N 2.7Å; T238-R241 PolarHBondContact O-N 3.18Å; T238-F242 HydrophobicContact CG2-CD2 4.04Å; T238-F242 PolarHBondContact O-N 3.29Å; T238-I316 HydrophobicContact CG2-CG2 4.34Å; T238-R318 HydrophobicContact CG2-CG 3.92Å; T238-R318 VanDerWaalsContact OG1-CD 3.32Å; T238-R318 WeakPolarHBondContact OG1-CD 3.23Å; T238-R318 PolarHBondContact OG1-NE 2.9Å; T238-R318 PolarHBondContact OG1-NH1 3.49Å; T238-C354 HydrophobicContact CG2-CB 3.67Å
239S84.6Confident82.4Confident13 Ų1322.5 Ų22.59%0.09113%0.125CC..Hα-helixtrans-65-22179.452.70000113.4R46 T237R46-S239 PolarHBondContact NH1-O 3.07Å; T237-S239 PolarHBondContact O-N 3.15Å
240L86.8Confident81.6Confident10 Ų1022.6 Ų22.65%0.05213%0.126CC..Hα-helixtrans-84.3-45.2176.8-51.5166.8000110.2I4 R46 V49 T237 T238 A248 L250I4-L240 HydrophobicContact CD1-CD1 3.73Å; R46-L240 WeakPolarHBondContact CD-O 3.33Å; V49-L240 HydrophobicContact CG1-CB 4.34Å; T237-L240 HydrophobicContact CG2-CD1 4.42Å; T237-L240 WeakPolarHBondContact O-CB 3.39Å; T237-L240 PolarHBondContact O-N 3.25Å; T237-L240 VanDerWaalsContact O-N 3.13Å; T238-L240 PolarHBondContact O-N 2.7Å; L240-A248 WeakPolarHBondContact CD2-O 3.49Å; L240-L250 HydrophobicContact CD1-CD2 3.38Å; L240-L250 HydrophobicContact CD1-CG 4.18Å; L240-L250 HydrophobicContact CD2-CD2 3.88Å; L240-L250 HydrophobicContact CD2-CG 4.11Å; L240-L250 HydrophobicContact CG-CD2 4.25Å
241R89.3Confident81.3Confident1 Ų128.6 Ų28.60%0.00415%0.148CC..Hα-helixtrans-80.1-25.9-172.1-71.2-174.3-56.8103.8-1.2115E27 H28 R46 Y50 S234 T237 T238E27-R241 IonicContact OE2-CZ 3.75Å; E27-R241 VanDerWaalsContact OE2-CZ 3.25Å; E27-R241 IonicContact OE2-NH1 2.79Å; E27-R241 PolarHBondContact OE2-NH1 3.41Å; E27-R241 IonicContact OE2-NH2 3.43Å; E27-R241 PolarHBondContact OE2-NH2 3.32Å; H28-R241 PolarHBondContact NE2-NH1 2.91Å; R46-R241 WeakPolarHBondContact CB-O 3.29Å; Y50-R241 HydrophobicContact CD2-CG 3.59Å; Y50-R241 HydrophobicContact CE2-CG 3.61Å; S234-R241 PolarHBondContact O-NH2 3.42Å; S234-R241 PolarHBondContact OG-NH2 3.23Å; T237-R241 WeakPolarHBondContact O-CG 3.2Å; T237-R241 PolarHBondContact O-N 3.24Å; T237-R241 PolarHBondContact OG1-NE 3.14Å; T237-R241 VanDerWaalsContact OG1-NE 3.11Å; T238-R241 PolarHBondContact O-N 3.18Å
242F87.4Confident81Confident1 Ų132.2 Ų32.20%0.00416%0.163CC..SBendtrans-125.3147.1-179-61.3-64.9000111.1E27 H28 R46 T238 G244 I356E27-F242 HydrophobicContact CB-CZ 4.17Å; H28-F242 AromaticContact CE1-CE1 3.56Å; H28-F242 AromaticContact CE1-CZ 3.8Å; H28-F242 AromaticContact ND1-CE1 3.79Å; R46-F242 PolarHBondContact NH1-O 3.26Å; T238-F242 HydrophobicContact CG2-CD2 4.04Å; T238-F242 PolarHBondContact O-N 3.29Å; F242-G244 PolarHBondContact O-N 2.88Å; F242-I356 HydrophobicContact CB-CD1 4.36Å; F242-I356 HydrophobicContact CD1-CD1 3.33Å; F242-I356 HydrophobicContact CE1-CD1 3.67Å; F242-I356 HydrophobicContact CE1-CG2 4.3Å; F242-I356 HydrophobicContact CE2-CG2 4.29Å; F242-I356 HydrophobicContact CG-CD1 3.87Å; F242-I356 HydrophobicContact CZ-CD1 4.45Å; F242-I356 HydrophobicContact CZ-CG2 4.08Å
243P80Confident80.5Confident34 Ų3433.2 Ų33.222%0.22117%0.168CC..  trans-64.2132.9169.430.4-36.2000109.3L42 E45L42-P243 HydrophobicContact CD2-CG 3.89Å; E45-P243 WeakPolarHBondContact OE2-CG 3.41Å
244G71.5Confident80.2Confident23 Ų2333.8 Ų33.824%0.23717%0.173CC..  trans-143.2163.217800000110.7F242 L246 N247F242-G244 PolarHBondContact O-N 2.88Å; G244-L246 PolarHBondContact O-N 2.92Å; G244-N247 PolarHBondContact O-OD1 2.83Å
245Q61.3Low79.9Confident158 Ų15838.9 Ų38.974%0.73820%0.204SC*.SBendtrans-62.7-30.6-178.8-65.7-174.2-5.900112.2
246L62.8Low79.8Confident84 Ų8442.2 Ų42.244%0.4422%0.222SC..SBendtrans-100.995171.3-144.798000109.6G244 A248 A352G244-L246 PolarHBondContact O-N 2.92Å; L246-A248 VanDerWaalsContact C-N 3.33Å; L246-A248 PolarHBondContact O-N 2.87Å; L246-A352 HydrophobicContact CB-CB 4.12Å
247N53.9Low79.7Confident81 Ų8142 Ų4243%0.43322%0.22SC..  trans-74.182.5177.4-74.5-47.7000111.1R46 G244 K252R46-N247 PolarHBondContact NH2-OD1 3.3Å; G244-N247 PolarHBondContact O-OD1 2.83Å; N247-K252 WeakPolarHBondContact O-CD 3.46Å; N247-K252 PolarHBondContact O-NZ 3.45Å; N247-K252 VanDerWaalsContact O-NZ 3.15Å
248A61.2Low79.8Confident15 Ų1543.1 Ų43.112%0.12423%0.227CC..  trans-88.9116174.700000110.1L240 L246L240-A248 WeakPolarHBondContact CD2-O 3.49Å; L246-A248 VanDerWaalsContact C-N 3.33Å; L246-A248 PolarHBondContact O-N 2.87Å
249D71.6Confident79.7Confident19 Ų1945.3 Ų45.310%0.10224%0.242CC..  trans-80169.9157.13952.8000109.8R2 R251 K252 L253R2-D249 IonicContact CZ-OD2 3.43Å; R2-D249 VanDerWaalsContact NH1-CB 3.26Å; R2-D249 IonicContact NH1-OD2 2.72Å; R2-D249 PolarHBondContact NH1-OD2 3.14Å; R2-D249 IonicContact NH2-OD2 3.46Å; R2-D249 PolarHBondContact NH2-OD2 3.08Å; D249-R251 PolarHBondContact O-N 2.83Å; D249-K252 PolarHBondContact O-N 3.29Å; D249-K252 WeakPolarHBondContact OD1-CA 3.45Å; D249-K252 WeakPolarHBondContact OD1-CB 3.35Å; D249-K252 WeakPolarHBondContact OD1-CD 3.48Å; D249-K252 WeakPolarHBondContact OD1-CG 3.48Å; D249-K252 PolarHBondContact OD1-N 3.11Å; D249-K252 WeakPolarHBondContact OD2-CE 3.41Å; D249-K252 IonicContact OD2-NZ 2.85Å; D249-L253 PolarHBondContact O-N 2.99Å
250L77.7Confident80Confident6 Ų648 Ų483%0.03125%0.252CS..Hα-helixtrans-55.2-40.6175.8-71.3-173.8000112.2I4 Q131 I163 N165 L240 L253 A254I4-L250 HydrophobicContact CD1-CD1 3.71Å; I4-L250 HydrophobicContact CD1-CD2 4.35Å; I4-L250 HydrophobicContact CD1-CG 4.01Å; I4-L250 HydrophobicContact CG1-CD1 3.9Å; Q131-L250 HydrophobicContact CB-CD1 4.16Å; I163-L250 HydrophobicContact CB-CB 4.34Å; I163-L250 HydrophobicContact CG2-CB 4.13Å; N165-L250 WeakPolarHBondContact ND2-CD2 3.29Å; L240-L250 HydrophobicContact CD1-CD2 3.38Å; L240-L250 HydrophobicContact CD1-CG 4.18Å; L240-L250 HydrophobicContact CD2-CD2 3.88Å; L240-L250 HydrophobicContact CD2-CG 4.11Å; L240-L250 HydrophobicContact CG-CD2 4.25Å; L250-L253 PolarHBondContact O-N 3.44Å; L250-A254 PolarHBondContact O-N 3.01Å
251R84.6Confident80.1Confident125 Ų12552.9 Ų52.947%0.47228%0.284SS..Hα-helixtrans-66.3-44.1-179.5-173.8173.3-62.5-78.4-2.2112.4D161 I163 D249 L253 A254 V255D161-R251 PolarHBondContact O-NH2 3.38Å; I163-R251 HydrophobicContact CD1-CB 4.4Å; I163-R251 HydrophobicContact CD1-CG 4.43Å; I163-R251 HydrophobicContact CG1-CB 4.18Å; D249-R251 PolarHBondContact O-N 2.83Å; R251-L253 VanDerWaalsContact C-N 3.3Å; R251-L253 PolarHBondContact O-N 3.43Å; R251-A254 PolarHBondContact O-N 3.03Å; R251-V255 HydrophobicContact CG-CG2 4.33Å; R251-V255 WeakPolarHBondContact O-CB 3.32Å; R251-V255 VanDerWaalsContact O-CG2 3.25Å; R251-V255 WeakPolarHBondContact O-CG2 3.24Å; R251-V255 PolarHBondContact O-N 3.1Å
252K85.1Confident80.3Confident96 Ų9656.1 Ų56.142%0.41730%0.297SS..Hα-helixtrans-64.9-36.3175.2-78171.2-167.6-175.90111.1N247 D249 N256N247-K252 WeakPolarHBondContact O-CD 3.46Å; N247-K252 PolarHBondContact O-NZ 3.45Å; N247-K252 VanDerWaalsContact O-NZ 3.15Å; D249-K252 PolarHBondContact O-N 3.29Å; D249-K252 WeakPolarHBondContact OD1-CA 3.45Å; D249-K252 WeakPolarHBondContact OD1-CB 3.35Å; D249-K252 WeakPolarHBondContact OD1-CD 3.48Å; D249-K252 WeakPolarHBondContact OD1-CG 3.48Å; D249-K252 PolarHBondContact OD1-N 3.11Å; D249-K252 WeakPolarHBondContact OD2-CE 3.41Å; D249-K252 IonicContact OD2-NZ 2.85Å; K252-N256 WeakPolarHBondContact O-CB 3.35Å; K252-N256 PolarHBondContact O-N 3.26Å; K252-N256 PolarHBondContact O-ND2 3.15Å
253L83.5Confident80.6Confident22 Ų2256.1 Ų56.112%0.11530%0.296CS..Hα-helixtrans-61.7-50.4173.6-176.467000109.8D249 L250 R251 V255 N256 M257 A314D249-L253 PolarHBondContact O-N 2.99Å; L250-L253 PolarHBondContact O-N 3.44Å; R251-L253 VanDerWaalsContact C-N 3.3Å; R251-L253 PolarHBondContact O-N 3.43Å; L253-V255 PolarHBondContact O-N 3.25Å; L253-N256 PolarHBondContact O-N 3.3Å; L253-M257 HydrophobicContact CD1-CG 3.93Å; L253-M257 HydrophobicContact CG-CG 4.39Å; L253-M257 VanDerWaalsContact O-CB 3.24Å; L253-M257 WeakPolarHBondContact O-CB 3.44Å; L253-M257 WeakPolarHBondContact O-CG 3.39Å; L253-M257 PolarHBondContact O-N 3.03Å; L253-A314 HydrophobicContact CD1-CB 4.39Å
254A85.9Confident81.3Confident12 Ų1254.5 Ų54.510%0.09929%0.286CS..Hα-helixtrans-58.1-50.1177.800000112I163 L250 R251 N256 M257 V258I163-A254 HydrophobicContact CD1-CB 4.43Å; L250-A254 PolarHBondContact O-N 3.01Å; R251-A254 PolarHBondContact O-N 3.03Å; A254-N256 VanDerWaalsContact C-N 3.28Å; A254-N256 PolarHBondContact O-N 3.05Å; A254-M257 PolarHBondContact O-N 3.28Å; A254-M257 VanDerWaalsContact O-N 3.07Å; A254-V258 WeakPolarHBondContact O-CB 3.42Å; A254-V258 WeakPolarHBondContact O-CG2 3.33Å; A254-V258 PolarHBondContact O-N 3.07Å
255V88Confident82.4Confident107 Ų10753.4 Ų53.465%0.64827%0.274SS*.Hα-helixtrans-60.9-34.4-179.9170.50000112.8R251 L253R251-V255 HydrophobicContact CG-CG2 4.33Å; R251-V255 WeakPolarHBondContact O-CB 3.32Å; R251-V255 VanDerWaalsContact O-CG2 3.25Å; R251-V255 WeakPolarHBondContact O-CG2 3.24Å; R251-V255 PolarHBondContact O-N 3.1Å; L253-V255 PolarHBondContact O-N 3.25Å
256N88.6Confident84.1Confident70 Ų7045.9 Ų45.937%0.37424%0.24SC..Hα-helixtrans-81.9-20.2178-75.6-61.2000113.4K252 L253 A254 T312 K350K252-N256 WeakPolarHBondContact O-CB 3.35Å; K252-N256 PolarHBondContact O-N 3.26Å; K252-N256 PolarHBondContact O-ND2 3.15Å; L253-N256 PolarHBondContact O-N 3.3Å; A254-N256 VanDerWaalsContact C-N 3.28Å; A254-N256 PolarHBondContact O-N 3.05Å; N256-T312 WeakPolarHBondContact O-CG2 3.29Å; N256-K350 HydrophobicContact CB-CG 4.23Å; N256-K350 WeakPolarHBondContact OD1-CE 3.49Å
257M89.3Confident85.6Confident1 Ų142 Ų421%0.00522%0.219CC..Hα-helixtrans-110.1-18.2-171-67.6-61.4-67.800114.1L253 A254 P259 F266 T312 A314 I368 N370L253-M257 HydrophobicContact CD1-CG 3.93Å; L253-M257 HydrophobicContact CG-CG 4.39Å; L253-M257 VanDerWaalsContact O-CB 3.24Å; L253-M257 WeakPolarHBondContact O-CB 3.44Å; L253-M257 WeakPolarHBondContact O-CG 3.39Å; L253-M257 PolarHBondContact O-N 3.03Å; A254-M257 PolarHBondContact O-N 3.28Å; A254-M257 VanDerWaalsContact O-N 3.07Å; M257-P259 VanDerWaalsContact O-CD 3.3Å; M257-P259 WeakPolarHBondContact O-CD 3.3Å; M257-F266 HydrophobicContact CB-CE1 3.75Å; M257-F266 HydrophobicContact CB-CE2 4.27Å; M257-F266 HydrophobicContact CB-CZ 3.44Å; M257-F266 VanDerWaalsContact CB-CZ 3.44Å; M257-F266 HydrophobicContact CE-CD1 4.47Å; M257-F266 HydrophobicContact CE-CE1 4.4Å; M257-F266 HydrophobicContact CG-CZ 4.48Å; M257-F266 WeakPolarHBondContact O-CE1 3.48Å; M257-T312 WeakPolarHBondContact CA-OG1 3.46Å; M257-T312 PolarHBondContact O-OG1 3.41Å; M257-A314 HydrophobicContact CE-CB 4.07Å; M257-A314 HydrophobicContact CG-CB 4.4Å; M257-A314 HydrophobicContact SD-CB 3.57Å; M257-A314 VanDerWaalsContact SD-CB 3.57Å; M257-I368 HydrophobicContact CE-CB 4.12Å; M257-I368 HydrophobicContact CE-CG2 3.75Å; M257-I368 VanDerWaalsContact CE-O 3.22Å; M257-I368 WeakPolarHBondContact CE-O 3.46Å; M257-N370 PolarHBondContact O-ND2 2.91Å
258V92.1Very high87.5Confident27 Ų2738.1 Ų38.116%0.16420%0.198CC..  trans-11591.5-177.2-1740000108.5A254 F260 H264 F266A254-V258 WeakPolarHBondContact O-CB 3.42Å; A254-V258 WeakPolarHBondContact O-CG2 3.33Å; A254-V258 PolarHBondContact O-N 3.07Å; V258-F260 VanDerWaalsContact C-N 3.31Å; V258-F260 WeakPolarHBondContact CG1-O 3.36Å; V258-H264 HydrophobicContact CG1-CB 3.93Å; V258-H264 HydrophobicContact CG2-CB 3.84Å; V258-F266 HydrophobicContact CG2-CE1 4.17Å; V258-F266 HydrophobicContact CG2-CZ 3.58Å
259P89.1Confident89.1Confident47 Ų4737.4 Ų37.431%0.30519%0.193SC..SBendtrans-70.4-31174.927.6-32.8000112M257 L311 I345M257-P259 VanDerWaalsContact O-CD 3.3Å; M257-P259 WeakPolarHBondContact O-CD 3.3Å; P259-L311 HydrophobicContact CG-CB 4.27Å; P259-L311 HydrophobicContact CG-CD1 4.2Å; P259-I345 HydrophobicContact CB-CD1 4.04Å; P259-I345 HydrophobicContact CG-CD1 4.21Å
260F91.4Very high90.1Very high68 Ų6836.7 Ų36.730%0.29819%0.189SC..SBendtrans-130.9134.7-179.3-59.3-72.6000110.4V258 R262 L263 W344 F425V258-F260 VanDerWaalsContact C-N 3.31Å; V258-F260 WeakPolarHBondContact CG1-O 3.36Å; F260-R262 VanDerWaalsContact C-N 3.32Å; F260-R262 PolarHBondContact O-N 3.4Å; F260-L263 HydrophobicContact CB-CB 4.34Å; F260-L263 HydrophobicContact CB-CD1 4.3Å; F260-L263 HydrophobicContact CB-CG 4.16Å; F260-L263 HydrophobicContact CD2-CD1 4.02Å; F260-L263 PolarHBondContact O-N 3.08Å; F260-W344 AromaticContact CE2-CH2 3.61Å; F260-W344 HydrophobicContact CE2-CH2 3.61Å; F260-W344 HydrophobicContact CE2-CZ3 4.12Å; F260-W344 HydrophobicContact CZ-CH2 4.11Å; F260-W344 HydrophobicContact CZ-CZ3 4.21Å; F260-F425 HydrophobicContact CD1-CZ 4.15Å; F260-F425 HydrophobicContact CD2-CD1 4.43Å; F260-F425 HydrophobicContact CD2-CD2 4.44Å; F260-F425 AromaticContact CD2-CE1 3.98Å; F260-F425 HydrophobicContact CD2-CE1 3.98Å; F260-F425 AromaticContact CD2-CE2 3.99Å; F260-F425 HydrophobicContact CD2-CE2 3.99Å; F260-F425 AromaticContact CD2-CZ 3.74Å; F260-F425 HydrophobicContact CD2-CZ 3.74Å; F260-F425 HydrophobicContact CE1-CE1 4.04Å; F260-F425 AromaticContact CE1-CZ 3.93Å; F260-F425 HydrophobicContact CE1-CZ 3.93Å; F260-F425 AromaticContact CE2-CD1 3.66Å; F260-F425 HydrophobicContact CE2-CD1 3.66Å; F260-F425 HydrophobicContact CE2-CD2 4.43Å; F260-F425 AromaticContact CE2-CE1 3.22Å; F260-F425 HydrophobicContact CE2-CE1 3.22Å; F260-F425 HydrophobicContact CE2-CE2 4.07Å; F260-F425 HydrophobicContact CE2-CG 4.25Å; F260-F425 AromaticContact CE2-CZ 3.45Å; F260-F425 HydrophobicContact CE2-CZ 3.45Å; F260-F425 VanDerWaalsContact CE2-CZ 3.45Å; F260-F425 HydrophobicContact CG-CE2 4.39Å; F260-F425 HydrophobicContact CG-CZ 4.07Å; F260-F425 HydrophobicContact CZ-CD1 4.08Å; F260-F425 AromaticContact CZ-CE1 3.27Å; F260-F425 HydrophobicContact CZ-CE1 3.27Å; F260-F425 AromaticContact CZ-CZ 3.58Å; F260-F425 HydrophobicContact CZ-CZ 3.58Å
261P88.3Confident90.7Very high113 Ų11336.4 Ų36.473%0.73419%0.187SC*.THydrogen-bonded Turntrans-54.6-39.3-171.6-29.335.4000115.2H264P261-H264 PolarHBondContact O-ND1 2.88Å
262R92.5Very high91Very high70 Ų7030.8 Ų30.826%0.26417%0.167SC..THydrogen-bonded Turntrans-76.2-22.7179.8-64.6179.474-173.53.3113.5I193 F260 H264 N414 L418 E421I193-R262 HydrophobicContact CG2-CB 4.32Å; I193-R262 HydrophobicContact CG2-CG 4.09Å; F260-R262 VanDerWaalsContact C-N 3.32Å; F260-R262 PolarHBondContact O-N 3.4Å; R262-H264 VanDerWaalsContact C-N 3.32Å; R262-H264 PolarHBondContact O-N 2.95Å; R262-N414 PolarHBondContact NH2-OD1 3.4Å; R262-L418 HydrophobicContact CB-CD1 4.28Å; R262-E421 WeakPolarHBondContact CD-OE1 3.43Å; R262-E421 WeakPolarHBondContact CD-OE2 3.45Å; R262-E421 IonicContact CZ-OE1 2.89Å; R262-E421 IonicContact CZ-OE2 2.92Å; R262-E421 IonicContact NE-OE1 3.71Å; R262-E421 IonicContact NE-OE2 2.73Å; R262-E421 IonicContact NH1-OE1 3.75Å; R262-E421 PolarHBondContact NH1-OE1 2.81Å; R262-E421 IonicContact NH1-OE2 2.77Å
263L93.8Very high91.1Very high0 Ų026.7 Ų26.70%015%0.149CC..  trans-95.656.5-175.6-52.1-172000111.4F260 L311 N370 L418 E421 Y422 F425F260-L263 HydrophobicContact CB-CB 4.34Å; F260-L263 HydrophobicContact CB-CD1 4.3Å; F260-L263 HydrophobicContact CB-CG 4.16Å; F260-L263 HydrophobicContact CD2-CD1 4.02Å; F260-L263 PolarHBondContact O-N 3.08Å; L263-L311 HydrophobicContact CD1-CD1 4.03Å; L263-N370 PolarHBondContact O-ND2 3.2Å; L263-L418 HydrophobicContact CD2-CD1 3.81Å; L263-E421 HydrophobicContact CD2-CB 4.17Å; L263-Y422 HydrophobicContact CB-CE1 4.02Å; L263-Y422 HydrophobicContact CD1-CD1 4.29Å; L263-Y422 HydrophobicContact CD1-CE1 4.26Å; L263-Y422 HydrophobicContact CD2-CD1 3.97Å; L263-Y422 HydrophobicContact CD2-CD2 3.88Å; L263-Y422 HydrophobicContact CD2-CE1 3.77Å; L263-Y422 HydrophobicContact CD2-CE2 3.65Å; L263-Y422 HydrophobicContact CD2-CG 4.04Å; L263-Y422 HydrophobicContact CG-CE1 4.23Å; L263-F425 HydrophobicContact CD1-CD2 3.37Å; L263-F425 HydrophobicContact CD1-CE2 3.63Å; L263-F425 HydrophobicContact CD1-CG 4.29Å
264H94.6Very high90.8Very high0 Ų026.8 Ų26.80%015%0.151CC..  trans-10815.1-17763-102.2000113.5L192 I193 A196 D197 C199 V258 P261 R262L192-H264 PolarHBondContact O-CE1 3.31Å; L192-H264 PolarHBondContact O-NE2 3.3Å; I193-H264 PolarHBondContact O-CE1 2.87Å; A196-H264 PolarHBondContact O-CE1 3.38Å; A196-H264 VanDerWaalsContact O-CE1 3.24Å; A196-H264 PolarHBondContact O-NE2 3.44Å; D197-H264 VanDerWaalsContact O-CB 3.32Å; D197-H264 WeakPolarHBondContact O-CB 3.3Å; C199-H264 PolarHBondContact N-O 3.01Å; V258-H264 HydrophobicContact CG1-CB 3.93Å; V258-H264 HydrophobicContact CG2-CB 3.84Å; P261-H264 PolarHBondContact O-ND1 2.88Å; R262-H264 VanDerWaalsContact C-N 3.32Å; R262-H264 PolarHBondContact O-N 2.95Å
265F95.9Very high90.3Very high0 Ų026.9 Ų26.90%015%0.152CC..EExtended strand (participates in β ladder)trans-85.8117.2175.6-62.1-85.3000110.8I189 L192 I193 C199 I374 F378 L418I189-F265 HydrophobicContact CG2-CZ 4.36Å; L192-F265 HydrophobicContact CB-CE1 4.33Å; L192-F265 HydrophobicContact CB-CZ 4.34Å; I193-F265 HydrophobicContact CG1-CE2 3.87Å; I193-F265 HydrophobicContact CG1-CZ 3.8Å; C199-F265 HydrophobicContact CB-CD1 3.57Å; C199-F265 HydrophobicContact CB-CE1 3.8Å; C199-F265 HydrophobicContact CB-CG 4.42Å; C199-F265 CarbonylContact O-C 3.57Å; C199-F265 WeakPolarHBondContact O-CA 3.34Å; F265-I374 HydrophobicContact CB-CG1 4.24Å; F265-F378 HydrophobicContact CB-CE2 4.45Å; F265-F378 HydrophobicContact CB-CZ 4.08Å; F265-F378 HydrophobicContact CD1-CE1 4.43Å; F265-F378 AromaticContact CD1-CZ 3.77Å; F265-F378 HydrophobicContact CD1-CZ 3.77Å; F265-F378 HydrophobicContact CD2-CE2 4.19Å; F265-F378 AromaticContact CD2-CZ 3.77Å; F265-F378 HydrophobicContact CD2-CZ 3.77Å; F265-F378 HydrophobicContact CE1-CE1 4.47Å; F265-F378 HydrophobicContact CE1-CZ 4.11Å; F265-F378 HydrophobicContact CE2-CZ 4.12Å; F265-F378 HydrophobicContact CG-CE2 4.25Å; F265-F378 AromaticContact CG-CZ 3.59Å; F265-F378 HydrophobicContact CG-CZ 3.59Å; F265-F378 HydrophobicContact CZ-CZ 4.28Å; F265-L418 HydrophobicContact CD2-CD2 4.12Å; F265-L418 HydrophobicContact CE2-CD1 4.42Å; F265-L418 HydrophobicContact CE2-CD2 3.67Å; F265-L418 HydrophobicContact CZ-CD2 4.41Å
266F95.4Very high89.5Confident1 Ų130.1 Ų30.10%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-103.5143-177.3-57.2-40.2000111.9A198 C199 F200 C201 M257 V258 P268 I368 G369 N370A198-F266 HydrophobicContact CB-CD2 4.19Å; A198-F266 HydrophobicContact CB-CE2 3.53Å; A198-F266 HydrophobicContact CB-CZ 4.34Å; C199-F266 PolarHBondContact O-N 3.49Å; F200-F266 HydrophobicContact CD1-CB 4.01Å; F200-F266 AromaticContact CD1-CD2 3.93Å; F200-F266 HydrophobicContact CD1-CD2 3.93Å; F200-F266 HydrophobicContact CD1-CG 4.48Å; F200-F266 HydrophobicContact CE1-CB 4.35Å; F200-F266 AromaticContact CE1-CD2 3.6Å; F200-F266 HydrophobicContact CE1-CD2 3.6Å; F200-F266 HydrophobicContact CE1-CE2 4.4Å; F200-F266 HydrophobicContact CE1-CG 4.41Å; F200-F266 AromaticContact CZ-CD2 4Å; F200-F266 HydrophobicContact CZ-CD2 4Å; F200-F266 HydrophobicContact CZ-CE2 4.43Å; C201-F266 WeakPolarHBondContact CB-O 3.37Å; C201-F266 PolarHBondContact N-O 2.84Å; M257-F266 HydrophobicContact CB-CE1 3.75Å; M257-F266 HydrophobicContact CB-CE2 4.27Å; M257-F266 HydrophobicContact CB-CZ 3.44Å; M257-F266 VanDerWaalsContact CB-CZ 3.44Å; M257-F266 HydrophobicContact CE-CD1 4.47Å; M257-F266 HydrophobicContact CE-CE1 4.4Å; M257-F266 HydrophobicContact CG-CZ 4.48Å; M257-F266 WeakPolarHBondContact O-CE1 3.48Å; V258-F266 HydrophobicContact CG2-CE1 4.17Å; V258-F266 HydrophobicContact CG2-CZ 3.58Å; F266-P268 WeakPolarHBondContact O-CD 3.28Å; F266-I368 HydrophobicContact CB-CG2 3.74Å; F266-I368 HydrophobicContact CD1-CG2 4.43Å; F266-I368 HydrophobicContact CD2-CG2 3.98Å; F266-I368 HydrophobicContact CG-CG2 3.8Å; F266-G369 WeakPolarHBondContact CA-O 3.39Å; F266-N370 HydrophobicContact CD1-CB 3.9Å; F266-N370 HydrophobicContact CE1-CB 3.98Å
267I95.1Very high88.5Confident1 Ų129.7 Ų29.71%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-95.8106.8169.8-63.8156.8000107.3T299 A301 C303 G369 N371 I374I267-T299 HydrophobicContact CG2-CG2 4.12Å; I267-A301 HydrophobicContact CB-CB 4.34Å; I267-A301 HydrophobicContact CG1-CB 4.07Å; I267-A301 HydrophobicContact CG2-CB 3.81Å; I267-C303 WeakPolarHBondContact CD1-SG 3.47Å; I267-G369 PolarHBondContact N-O 2.94Å; I267-G369 PolarHBondContact O-N 3.15Å; I267-N371 HydrophobicContact CD1-CB 3.85Å; I267-I374 HydrophobicContact CD1-CB 4.09Å; I267-I374 HydrophobicContact CD1-CD1 4.18Å; I267-I374 HydrophobicContact CG1-CB 4.33Å; I267-I374 HydrophobicContact CG1-CD1 3.55Å; I267-I374 HydrophobicContact CG1-CG1 4.45Å
268P94.8Very high87.7Confident0 Ų032.9 Ų32.90%020%0.195CC..EExtended strand (participates in β ladder)trans-83.7154.9176.430.7-24.6000110.8C201 I202 T232 I236 F266 M300 F367C201-P268 WeakPolarHBondContact O-CD 3.34Å; I202-P268 HydrophobicContact CG1-CG 4.3Å; T232-P268 HydrophobicContact CG2-CB 3.58Å; T232-P268 HydrophobicContact CG2-CG 4.25Å; I236-P268 HydrophobicContact CD1-CB 4.13Å; F266-P268 WeakPolarHBondContact O-CD 3.28Å; P268-M300 HydrophobicContact CG-CB 4.1Å; P268-M300 WeakPolarHBondContact O-CB 3.23Å; P268-M300 PolarHBondContact O-N 3.35Å; P268-F367 CarbonylContact C-O 3.58Å; P268-F367 VanDerWaalsContact CA-O 3.31Å; P268-F367 WeakPolarHBondContact CA-O 3.05Å
269G93.3Very high86.7Confident1 Ų135.6 Ų35.61%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-147.6155.3175.100000110.9F367G269-F367 PolarHBondContact N-O 3.02Å; G269-F367 PolarHBondContact O-N 2.74Å
270F92.7Very high85.7Confident4 Ų441.7 Ų41.72%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-134140.5178.1-173.7-92.9000110.6L231 L273 M300 L361 A364L231-F270 HydrophobicContact CB-CD2 4.29Å; L231-F270 HydrophobicContact CB-CE1 4.47Å; L231-F270 HydrophobicContact CB-CE2 4.18Å; L231-F270 HydrophobicContact CB-CG 4.48Å; L231-F270 HydrophobicContact CB-CZ 4.28Å; L231-F270 HydrophobicContact CD1-CE1 4.28Å; L231-F270 HydrophobicContact CD2-CZ 4.11Å; F270-L273 HydrophobicContact CD1-CD2 4.09Å; F270-L273 WeakPolarHBondContact O-CD1 3.47Å; F270-L273 WeakPolarHBondContact O-CG 3.46Å; F270-M300 HydrophobicContact CB-CE 3.86Å; F270-L361 HydrophobicContact CE1-CD1 4.29Å; F270-L361 HydrophobicContact CZ-CD1 4.12Å; F270-A364 HydrophobicContact CE2-CB 4.2Å; F270-A364 HydrophobicContact CZ-CB 3.91Å
271A91.9Very high84.7Confident0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-137.6143.2171.100000109.3L289 Q292 M293 A364 A365A271-L289 HydrophobicContact CB-CD2 4.07Å; A271-Q292 HydrophobicContact CB-CB 3.9Å; A271-M293 HydrophobicContact CB-CG 4.07Å; A271-A364 CarbonylContact O-C 3.51Å; A271-A364 WeakPolarHBondContact O-CA 3.38Å; A271-A365 PolarHBondContact N-O 2.52Å; A271-A365 PolarHBondContact O-N 3.23Å; A271-A365 VanDerWaalsContact O-O 3.06Å
272P90.7Very high83.9Confident7 Ų747.7 Ų47.75%0.04524%0.237CC..  cis-84.4146.31.834-34.5000113.1T274 L284 L289 L361P272-T274 HydrophobicContact CB-CG2 4.29Å; P272-L284 HydrophobicContact CB-CD2 3.5Å; P272-L284 VanDerWaalsContact CB-CD2 3.5Å; P272-L284 HydrophobicContact CG-CD1 3.94Å; P272-L284 HydrophobicContact CG-CD2 3.73Å; P272-L289 HydrophobicContact CB-CD2 4.17Å; P272-L289 HydrophobicContact CG-CD2 4.34Å; P272-L361 HydrophobicContact CG-CD1 4.37Å; P272-L361 HydrophobicContact CG-CD2 4.14Å
273L85.6Confident83Confident9 Ų948.2 Ų48.25%0.04726%0.257CS..  trans-109.392.1166.8-66.6171.5000108.3I210 T214 L228 F270 N298 M300I210-L273 HydrophobicContact CD1-CD1 4.22Å; I210-L273 HydrophobicContact CG2-CD1 3.82Å; I210-L273 HydrophobicContact CG2-CD2 4.44Å; T214-L273 HydrophobicContact CG2-CB 4.05Å; L228-L273 HydrophobicContact CD2-CD2 3.57Å; F270-L273 HydrophobicContact CD1-CD2 4.09Å; F270-L273 WeakPolarHBondContact O-CD1 3.47Å; F270-L273 WeakPolarHBondContact O-CG 3.46Å; L273-N298 HydrophobicContact CD1-CB 4.14Å; L273-M300 HydrophobicContact CD1-CE 4.42Å; L273-M300 HydrophobicContact CD2-CE 4.44Å
274T77.8Confident82.4Confident24 Ų2450 Ų5015%0.14727%0.266CS..  trans-120.6132-178.251.40000110.8P272P272-T274 HydrophobicContact CB-CG2 4.29Å
275A76.1Confident82.2Confident15 Ų1552.1 Ų52.112%0.12428%0.281CS..  trans-58.3144.5170.500000111L215 G277 S278 Q279L215-A275 WeakPolarHBondContact O-CB 3.36Å; A275-G277 PolarHBondContact O-N 3.37Å; A275-G277 VanDerWaalsContact O-N 3.14Å; A275-S278 PolarHBondContact O-N 2.96Å; A275-Q279 PolarHBondContact O-N 2.79Å
276Q70.3Confident81.9Confident175 Ų17552.3 Ų52.382%0.81828%0.282SS*.THydrogen-bonded Turntrans-53.1-39-176.4-68.7-178.4-600112.9S278Q276-S278 VanDerWaalsContact C-N 3.32Å; Q276-S278 PolarHBondContact O-N 3.47Å
277G68Low81.7Confident61 Ų6154 Ų5463%0.62930%0.296SS*.THydrogen-bonded Turntrans-71.8-19.5178.700000115A275 Y281A275-G277 PolarHBondContact O-N 3.37Å; A275-G277 VanDerWaalsContact O-N 3.14Å; G277-Y281 WeakPolarHBondContact O-CD2 3.26Å
278S73.4Confident81.4Confident68 Ų6856.6 Ų56.648%0.47631%0.308SS..THydrogen-bonded Turntrans-101.1-11.3-179-57.20000113.3A275 Q276 Q280 Y281 R282A275-S278 PolarHBondContact O-N 2.96Å; Q276-S278 VanDerWaalsContact C-N 3.32Å; Q276-S278 PolarHBondContact O-N 3.47Å; S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.29Å; S278-Y281 PolarHBondContact O-N 3.22Å; S278-R282 PolarHBondContact O-N 2.76Å
279Q70.7Confident81.3Confident84 Ų8456.6 Ų56.639%0.39331%0.308SS..THydrogen-bonded Turntrans-63.3-33.8-175.2-166.21771.400112.7A275 Y281A275-Q279 PolarHBondContact O-N 2.79Å; Q279-Y281 VanDerWaalsContact C-N 3.33Å; Q279-Y281 PolarHBondContact O-N 3.38Å
280Q67.9Low81.2Confident175 Ų17556.6 Ų56.682%0.81831%0.308SS*.THydrogen-bonded Turntrans-74.2-21.1179.6-65.6-177.7-0.400113.9S278S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.29Å
281Y70.2Confident81Confident199 Ų19963.3 Ų63.378%0.7834%0.339SS*.THydrogen-bonded Turntrans-100.5-7.7-173.6-60.4-77.7000113.3G277 S278 Q279G277-Y281 WeakPolarHBondContact O-CD2 3.26Å; S278-Y281 PolarHBondContact O-N 3.22Å; Q279-Y281 VanDerWaalsContact C-N 3.33Å; Q279-Y281 PolarHBondContact O-N 3.38Å
282R72.3Confident80.9Confident108 Ų10864 Ų6441%0.40834%0.343SS..  trans-106.1116.3-174.7-164.4173.6-175.1164.76.5110.9S278 L284 E288S278-R282 PolarHBondContact O-N 2.76Å; R282-L284 PolarHBondContact O-N 2.7Å; R282-E288 IonicContact CZ-OE2 3.28Å; R282-E288 IonicContact NE-OE2 3.58Å; R282-E288 PolarHBondContact NE-OE2 2.91Å; R282-E288 IonicContact NH2-OE2 3.62Å; R282-E288 PolarHBondContact NH2-OE2 3.3Å
283A71.8Confident80.9Confident81 Ų8163.8 Ų63.867%0.66934%0.341SS*.  trans-77.6106.8171.400000109.4S285A283-S285 PolarHBondContact O-N 2.82Å
284L82.8Confident81.1Confident38 Ų3864.5 Ų64.520%0.19934%0.343CS..  trans-68.4127.7175.7-68.3164.9000109.6P272 R282 L289 M363P272-L284 HydrophobicContact CB-CD2 3.5Å; P272-L284 VanDerWaalsContact CB-CD2 3.5Å; P272-L284 HydrophobicContact CG-CD1 3.94Å; P272-L284 HydrophobicContact CG-CD2 3.73Å; R282-L284 PolarHBondContact O-N 2.7Å; L284-L289 HydrophobicContact CD2-CD2 4.36Å; L284-M363 HydrophobicContact CB-CE 3.98Å; L284-M363 WeakPolarHBondContact O-CE 3.42Å
285S89.6Confident81.6Confident43 Ų4364.5 Ų64.530%0.30134%0.342SS..  trans-128.3161.1172.968.10000110.5A283 A287 E288 L289A283-S285 PolarHBondContact O-N 2.82Å; S285-A287 PolarHBondContact O-N 3.48Å; S285-E288 PolarHBondContact O-N 3.4Å; S285-E288 WeakPolarHBondContact OG-CG 3.2Å; S285-E288 PolarHBondContact OG-N 3.08Å; S285-L289 WeakPolarHBondContact O-CG 3.32Å; S285-L289 PolarHBondContact O-N 2.92Å
286V89.9Confident82.1Confident5 Ų565 Ų653%0.0335%0.347CS..Hα-helixtrans-59.5-38.4177.3178.70000111L289 T290 F317 M321 E325 V326 Q329V286-L289 PolarHBondContact O-N 3.35Å; V286-T290 WeakPolarHBondContact O-CB 3.29Å; V286-T290 PolarHBondContact O-N 2.84Å; V286-T290 PolarHBondContact O-OG1 3.22Å; V286-F317 HydrophobicContact CG1-CE1 4.26Å; V286-M321 HydrophobicContact CG2-CB 4.05Å; V286-M321 HydrophobicContact CG2-SD 4.2Å; V286-E325 HydrophobicContact CB-CG 4.22Å; V286-E325 HydrophobicContact CG1-CG 4.38Å; V286-E325 HydrophobicContact CG2-CG 4.48Å; V286-V326 HydrophobicContact CG1-CB 4.29Å; V286-V326 HydrophobicContact CG1-CG2 3.72Å; V286-V326 HydrophobicContact CG2-CG2 4.49Å; V286-Q329 HydrophobicContact CG1-CG 4.22Å
287A90.9Very high82.9Confident35 Ų3564.9 Ų64.929%0.28934%0.339SS..Hα-helixtrans-62.3-44.7175.700000112.2S285 T290 Q291 Q329S285-A287 PolarHBondContact O-N 3.48Å; A287-T290 PolarHBondContact O-N 3.43Å; A287-Q291 WeakPolarHBondContact O-CB 3.4Å; A287-Q291 PolarHBondContact O-N 3.04Å; A287-Q329 HydrophobicContact CB-CG 4.33Å
288E89.6Confident83.8Confident56 Ų5662.3 Ų62.326%0.26231%0.311SS..Hα-helixtrans-66.2-40.5177.6-76.8-168.4-159.800112.8R282 S285 T290 Q291 Q292R282-E288 IonicContact CZ-OE2 3.28Å; R282-E288 IonicContact NE-OE2 3.58Å; R282-E288 PolarHBondContact NE-OE2 2.91Å; R282-E288 IonicContact NH2-OE2 3.62Å; R282-E288 PolarHBondContact NH2-OE2 3.3Å; S285-E288 PolarHBondContact O-N 3.4Å; S285-E288 WeakPolarHBondContact OG-CG 3.2Å; S285-E288 PolarHBondContact OG-N 3.08Å; E288-T290 VanDerWaalsContact C-N 3.35Å; E288-Q291 PolarHBondContact O-N 2.82Å; E288-Q292 WeakPolarHBondContact O-CB 3.32Å; E288-Q292 WeakPolarHBondContact O-CG 3.27Å; E288-Q292 PolarHBondContact O-N 3.16Å
289L91.4Very high84.5Confident0 Ų059.3 Ų59.30%029%0.289CS..Hα-helixtrans-61.8-46.5175-70.2174.9000110.5A271 P272 L284 S285 V286 Q291 Q292 M293 F317 M363 A365A271-L289 HydrophobicContact CB-CD2 4.07Å; P272-L289 HydrophobicContact CB-CD2 4.17Å; P272-L289 HydrophobicContact CG-CD2 4.34Å; L284-L289 HydrophobicContact CD2-CD2 4.36Å; S285-L289 WeakPolarHBondContact O-CG 3.32Å; S285-L289 PolarHBondContact O-N 2.92Å; V286-L289 PolarHBondContact O-N 3.35Å; L289-Q291 PolarHBondContact O-N 3.1Å; L289-Q292 PolarHBondContact O-N 3.08Å; L289-M293 WeakPolarHBondContact O-CG 3.45Å; L289-M293 PolarHBondContact O-N 3.09Å; L289-F317 HydrophobicContact CB-CE1 4.32Å; L289-M363 HydrophobicContact CD1-CB 3.87Å; L289-A365 HydrophobicContact CB-CB 4.16Å
290T91.5Very high85.5Confident1 Ų155.4 Ų55.41%0.00627%0.271CS..Hα-helixtrans-61.8-43.9179.2-54.50000111.3V286 A287 E288 Q292 M293 F294 Q329 L330 V333V286-T290 WeakPolarHBondContact O-CB 3.29Å; V286-T290 PolarHBondContact O-N 2.84Å; V286-T290 PolarHBondContact O-OG1 3.22Å; A287-T290 PolarHBondContact O-N 3.43Å; E288-T290 VanDerWaalsContact C-N 3.35Å; T290-Q292 PolarHBondContact O-N 3.16Å; T290-M293 PolarHBondContact O-N 3.09Å; T290-F294 HydrophobicContact CG2-CE2 4.49Å; T290-F294 WeakPolarHBondContact O-CD2 3.47Å; T290-Q329 HydrophobicContact CG2-CB 4.21Å; T290-L330 HydrophobicContact CG2-CD2 3.78Å; T290-L330 HydrophobicContact CG2-CG 4.33Å; T290-V333 HydrophobicContact CG2-CG2 3.8Å
291Q89.4Confident86.5Confident146 Ų14647 Ų4768%0.68223%0.232SC*.Hα-helixtrans-65.1-40.1177.5-171.9177.86.400112.5A287 E288 L289 D295A287-Q291 WeakPolarHBondContact O-CB 3.4Å; A287-Q291 PolarHBondContact O-N 3.04Å; E288-Q291 PolarHBondContact O-N 2.82Å; L289-Q291 PolarHBondContact O-N 3.1Å; Q291-D295 PolarHBondContact O-N 3.05Å
292Q90.1Very high87.4Confident15 Ų1539.1 Ų39.17%0.0721%0.208CC..Hα-helixtrans-67.5-37.9177.8-82.5-174.551.300112.7A271 E288 L289 T290 F294 D295 N298A271-Q292 HydrophobicContact CB-CB 3.9Å; E288-Q292 WeakPolarHBondContact O-CB 3.32Å; E288-Q292 WeakPolarHBondContact O-CG 3.27Å; E288-Q292 PolarHBondContact O-N 3.16Å; L289-Q292 PolarHBondContact O-N 3.08Å; T290-Q292 PolarHBondContact O-N 3.16Å; Q292-F294 VanDerWaalsContact C-N 3.27Å; Q292-F294 PolarHBondContact O-N 3.02Å; Q292-D295 WeakPolarHBondContact O-CB 3.44Å; Q292-D295 PolarHBondContact O-N 3Å; Q292-D295 VanDerWaalsContact O-N 3.1Å; Q292-N298 VanDerWaalsContact O-CB 3.26Å; Q292-N298 WeakPolarHBondContact O-CB 3.43Å; Q292-N298 PolarHBondContact OE1-ND2 3.26Å
293M90.3Very high88.1Confident2 Ų234.4 Ų34.41%0.0119%0.191CC..Hα-helixtrans-59.4-37179.4-77.5-167.2-62.700113.2A271 L289 T290 C315 F317 L330 A365 F367A271-M293 HydrophobicContact CB-CG 4.07Å; L289-M293 WeakPolarHBondContact O-CG 3.45Å; L289-M293 PolarHBondContact O-N 3.09Å; T290-M293 PolarHBondContact O-N 3.09Å; M293-C315 HydrophobicContact CE-CB 4.26Å; M293-C315 HydrophobicContact SD-CB 4.41Å; M293-F317 HydrophobicContact CE-CE1 3.93Å; M293-F317 HydrophobicContact CE-CE2 3.76Å; M293-F317 HydrophobicContact CE-CZ 3.24Å; M293-F317 HydrophobicContact SD-CZ 4.46Å; M293-L330 HydrophobicContact CE-CD2 4.49Å; M293-A365 HydrophobicContact CE-CB 4.03Å; M293-A365 HydrophobicContact CG-CB 3.99Å; M293-A365 HydrophobicContact SD-CB 3.39Å; M293-A365 WeakPolarHBondContact SD-CB 3.4Å; M293-F367 HydrophobicContact CB-CB 4.2Å; M293-F367 HydrophobicContact CB-CD2 4.31Å; M293-F367 HydrophobicContact CG-CB 4.19Å; M293-F367 HydrophobicContact SD-CB 4.16Å
294F89.1Confident88.9Confident23 Ų2332.8 Ų32.810%0.10117%0.171CC..THydrogen-bonded Turntrans-92.17.3179.1-70.6-85.6000113.3T290 Q292 Y310 V313 L330 V333 F341 F367T290-F294 HydrophobicContact CG2-CE2 4.49Å; T290-F294 WeakPolarHBondContact O-CD2 3.47Å; Q292-F294 VanDerWaalsContact C-N 3.27Å; Q292-F294 PolarHBondContact O-N 3.02Å; F294-Y310 HydrophobicContact CD1-CE2 4.09Å; F294-Y310 HydrophobicContact CE1-CE2 4.25Å; F294-V313 HydrophobicContact CZ-CG1 4.3Å; F294-L330 HydrophobicContact CE2-CD2 3.91Å; F294-L330 HydrophobicContact CZ-CD2 4.45Å; F294-V333 HydrophobicContact CD1-CG1 4.29Å; F294-V333 HydrophobicContact CD2-CG1 3.78Å; F294-V333 HydrophobicContact CE1-CG1 4.45Å; F294-V333 HydrophobicContact CE2-CG1 3.96Å; F294-V333 HydrophobicContact CG-CG1 3.96Å; F294-V333 HydrophobicContact CZ-CG1 4.29Å; F294-F341 HydrophobicContact CD1-CZ 4.47Å; F294-F341 HydrophobicContact CE1-CE1 4.22Å; F294-F341 AromaticContact CE1-CZ 3.69Å; F294-F341 HydrophobicContact CE1-CZ 3.69Å; F294-F341 HydrophobicContact CZ-CZ 4.2Å; F294-F367 HydrophobicContact CD1-CE2 4.14Å; F294-F367 AromaticContact CE1-CE2 3.72Å; F294-F367 HydrophobicContact CE1-CE2 3.72Å; F294-F367 HydrophobicContact CE1-CZ 4.37Å; F294-F367 AromaticContact CZ-CE2 3.98Å; F294-F367 HydrophobicContact CZ-CE2 3.98Å
295D89.4Confident89.1Confident24 Ų2431.1 Ų31.113%0.12816%0.163CC..  trans-82.6129.1172.5-165.4-8000109.7Q291 Q292 R297 N298Q291-D295 PolarHBondContact O-N 3.05Å; Q292-D295 WeakPolarHBondContact O-CB 3.44Å; Q292-D295 PolarHBondContact O-N 3Å; Q292-D295 VanDerWaalsContact O-N 3.1Å; D295-R297 PolarHBondContact O-N 3.03Å; D295-R297 VanDerWaalsContact O-N 3.08Å; D295-R297 PolarHBondContact OD1-N 3.48Å; D295-R297 IonicContact OD1-NE 3.54Å; D295-R297 IonicContact OD2-CZ 2.75Å; D295-R297 VanDerWaalsContact OD2-CZ 3.23Å; D295-R297 IonicContact OD2-NE 3.89Å; D295-R297 PolarHBondContact OD2-NE 3.49Å; D295-R297 IonicContact OD2-NH2 2.91Å; D295-R297 PolarHBondContact OD2-NH2 2.92Å; D295-N298 PolarHBondContact O-N 3.28Å
296A86.5Confident88.9Confident26 Ų2637 Ų3722%0.21518%0.179CC..G310 helixtrans-55-31.5178.100000111.8N298 T299A296-N298 PolarHBondContact O-N 3.47Å; A296-T299 PolarHBondContact O-N 3.46Å; A296-T299 PolarHBondContact O-OG1 2.98Å
297R86.7Confident88.8Confident172 Ų17244.7 Ų44.765%0.64921%0.207SC*.G310 helixtrans-68.1-14.9179.7-62.2-179.5-67.3178.21.3114.6I210 D295I210-R297 WeakPolarHBondContact CG1-O 3.43Å; D295-R297 PolarHBondContact O-N 3.03Å; D295-R297 VanDerWaalsContact O-N 3.08Å; D295-R297 PolarHBondContact OD1-N 3.48Å; D295-R297 IonicContact OD1-NE 3.54Å; D295-R297 IonicContact OD2-CZ 2.75Å; D295-R297 VanDerWaalsContact OD2-CZ 3.23Å; D295-R297 IonicContact OD2-NE 3.89Å; D295-R297 PolarHBondContact OD2-NE 3.49Å; D295-R297 IonicContact OD2-NH2 2.91Å; D295-R297 PolarHBondContact OD2-NH2 2.92Å
298N86.4Confident88.8Confident7 Ų743.2 Ų43.24%0.03720%0.195CC..G310 helixtrans-1060.1-178.6-76.146.4000112.5L273 Q292 D295 A296L273-N298 HydrophobicContact CD1-CB 4.14Å; Q292-N298 VanDerWaalsContact O-CB 3.26Å; Q292-N298 WeakPolarHBondContact O-CB 3.43Å; Q292-N298 PolarHBondContact OE1-ND2 3.26Å; D295-N298 PolarHBondContact O-N 3.28Å; A296-N298 PolarHBondContact O-N 3.47Å
299T89.1Confident88.9Confident5 Ų543.6 Ų43.63%0.03120%0.195CC..BIsolated β-bridgetrans-78.9137.4174.763.20000110.1I210 I267 A296 A301 P305I210-T299 WeakPolarHBondContact CD1-O 3.5Å; I267-T299 HydrophobicContact CG2-CG2 4.12Å; A296-T299 PolarHBondContact O-N 3.46Å; A296-T299 PolarHBondContact O-OG1 2.98Å; T299-A301 PolarHBondContact O-N 3.33Å; T299-A301 PolarHBondContact OG1-O 3.15Å; T299-P305 HydrophobicContact CG2-CG 3.8Å
300M89.9Confident89Confident2 Ų244 Ų441%0.0120%0.196CC..SBendtrans-85.810.5-179.7-59-65.1-177.600112D203 L207 I210 L228 P268 F270 L273D203-M300 PolarHBondContact N-O 3.03Å; L207-M300 HydrophobicContact CD2-CB 4.42Å; L207-M300 HydrophobicContact CD2-CG 4.43Å; L207-M300 HydrophobicContact CD2-SD 3.37Å; L207-M300 WeakPolarHBondContact CD2-SD 3.32Å; I210-M300 HydrophobicContact CD1-CE 4.33Å; I210-M300 HydrophobicContact CD1-SD 3.58Å; I210-M300 VanDerWaalsContact CD1-SD 3.58Å; L228-M300 HydrophobicContact CB-CE 4.12Å; L228-M300 HydrophobicContact CD2-CE 4.38Å; P268-M300 HydrophobicContact CG-CB 4.1Å; P268-M300 WeakPolarHBondContact O-CB 3.23Å; P268-M300 PolarHBondContact O-N 3.35Å; F270-M300 HydrophobicContact CB-CE 3.86Å; L273-M300 HydrophobicContact CD1-CE 4.42Å; L273-M300 HydrophobicContact CD2-CE 4.44Å
301A89.5Confident89.1Confident0 Ų044 Ų440%020%0.196CC..SBendtrans-125.7132.7177.700000107.3I267 T299 C303 I377I267-A301 HydrophobicContact CB-CB 4.34Å; I267-A301 HydrophobicContact CG1-CB 4.07Å; I267-A301 HydrophobicContact CG2-CB 3.81Å; T299-A301 PolarHBondContact O-N 3.33Å; T299-A301 PolarHBondContact OG1-O 3.15Å; A301-C303 PolarHBondContact O-N 3.23Å; A301-I377 HydrophobicContact CB-CD1 3.61Å
302A88.7Confident89.3Confident32 Ų3237.3 Ų37.326%0.26417%0.165SC..SBendtrans-80.468.2-174.300000111.3D203 E205 A206D203-A302 WeakPolarHBondContact OD2-CB 3.46Å; D203-A302 PolarHBondContact OD2-N 2.78Å; E205-A302 HydrophobicContact CB-CB 4.08Å; E205-A302 HydrophobicContact CG-CB 4.3Å; A206-A302 HydrophobicContact CB-CB 4.12Å
303C87.8Confident89.5Confident9 Ų936.6 Ų36.66%0.06116%0.162CC..SBendtrans-134.1148175.255.60000109.3I267 A301 P305 A373 E376I267-C303 WeakPolarHBondContact CD1-SG 3.47Å; A301-C303 PolarHBondContact O-N 3.23Å; C303-P305 VanDerWaalsContact O-CD 3.29Å; C303-P305 WeakPolarHBondContact O-CD 3.37Å; C303-A373 HydrophobicContact CB-CB 4.39Å; C303-A373 WeakPolarHBondContact CB-O 3.35Å; C303-E376 VanDerWaalsContact CA-OE2 3.32Å; C303-E376 WeakPolarHBondContact CA-OE2 3.49Å; C303-E376 HydrophobicContact CB-CB 4.35Å
304D88Confident89.5Confident47 Ų4736.9 Ų36.925%0.25116%0.164SC..  trans-89.7108.8171.2-173.6-7.5000110R306 R307 A373 E376D304-R306 PolarHBondContact O-N 2.89Å; D304-R306 WeakPolarHBondContact OD1-CB 3.2Å; D304-R306 WeakPolarHBondContact OD1-CG 3.47Å; D304-R306 PolarHBondContact OD1-N 2.8Å; D304-R306 VanDerWaalsContact OD1-N 3.08Å; D304-R307 HydrophobicContact CB-CG 4.06Å; D304-R307 PolarHBondContact O-N 3.27Å; D304-A373 WeakPolarHBondContact O-CB 3.48Å; D304-E376 PolarHBondContact N-OE2 2.88Å; D304-E376 VanDerWaalsContact N-OE2 3.09Å
305P86.5Confident89.6Confident3 Ų335.8 Ų35.82%0.01916%0.16CC..THydrogen-bonded Turntrans-64.2-13.9-176.5-1932.4000114T299 C303 R307 Y310 N371T299-P305 HydrophobicContact CG2-CG 3.8Å; C303-P305 VanDerWaalsContact O-CD 3.29Å; C303-P305 WeakPolarHBondContact O-CD 3.37Å; P305-R307 VanDerWaalsContact C-N 3.32Å; P305-Y310 HydrophobicContact CB-CE1 4.29Å; P305-Y310 HydrophobicContact CB-CE2 4.29Å; P305-Y310 WeakPolarHBondContact CB-OH 3.09Å; P305-N371 PolarHBondContact O-ND2 2.67Å
306R86.9Confident89.7Confident168 Ų16835 Ų3563%0.63416%0.155SC*.THydrogen-bonded Turntrans-77-18.8177.1-58.7174.8-176.5176.14.9113.1D304D304-R306 PolarHBondContact O-N 2.89Å; D304-R306 WeakPolarHBondContact OD1-CB 3.2Å; D304-R306 WeakPolarHBondContact OD1-CG 3.47Å; D304-R306 PolarHBondContact OD1-N 2.8Å; D304-R306 VanDerWaalsContact OD1-N 3.08Å
307R88.1Confident90Very high165 Ų16533.7 Ų33.762%0.62315%0.145SC*.SBendtrans-82.9-17.8177.6-67.4178.3177.8-173.2-2.4112.7D304 P305 E376 Q426D304-R307 HydrophobicContact CB-CG 4.06Å; D304-R307 PolarHBondContact O-N 3.27Å; P305-R307 VanDerWaalsContact C-N 3.32Å; R307-E376 WeakPolarHBondContact CD-OE1 3.3Å; R307-E376 IonicContact CZ-OE1 3.86Å; R307-E376 IonicContact NE-OE1 3.99Å; R307-E376 IonicContact NH1-OE1 3.87Å; R307-E376 PolarHBondContact NH1-OE1 3.27Å; R307-Q426 PolarHBondContact O-NE2 3.27Å; R307-Q426 VanDerWaalsContact O-NE2 3.15Å
308G89.4Confident90.2Very high5 Ų525.7 Ų25.75%0.05212%0.115CC..SBendtrans-114.2-167.6175.200000112.5N371 T372G308-N371 WeakPolarHBondContact CA-OD1 3.27Å; G308-T372 VanDerWaalsContact CA-OG1 3.27Å; G308-T372 WeakPolarHBondContact CA-OG1 3.37Å
309R92.8Very high90.3Very high64 Ų6425.4 Ų25.424%0.24211%0.113CC..  trans-125138.6174.9-65-177.5174-178.9-5.4110.1L311 C340 V342 N371 T372 Q426 A428R309-L311 PolarHBondContact O-N 3.45Å; R309-C340 CarbonylContact C-O 3.56Å; R309-C340 VanDerWaalsContact CA-O 3.31Å; R309-C340 WeakPolarHBondContact CA-O 3.5Å; R309-V342 HydrophobicContact CB-CG1 3.92Å; R309-N371 PolarHBondContact N-OD1 2.99Å; R309-N371 WeakPolarHBondContact O-CA 3.45Å; R309-N371 PolarHBondContact O-OD1 3.35Å; R309-T372 PolarHBondContact N-OG1 3.26Å; R309-T372 PolarHBondContact O-N 2.76Å; R309-Q426 WeakPolarHBondContact CD-O 3.49Å; R309-Q426 PolarHBondContact NH1-O 3.06Å; R309-A428 PolarHBondContact NH1-O 3.14Å
310Y93.6Very high90.1Very high8 Ų834 Ų343%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-72.6116.9171.2-69.5-69.2000109.8F294 P305 V313 C340 F341 V342 N348 F367 N370 N371F294-Y310 HydrophobicContact CD1-CE2 4.09Å; F294-Y310 HydrophobicContact CE1-CE2 4.25Å; P305-Y310 HydrophobicContact CB-CE1 4.29Å; P305-Y310 HydrophobicContact CB-CE2 4.29Å; P305-Y310 WeakPolarHBondContact CB-OH 3.09Å; Y310-V313 HydrophobicContact CD1-CG2 3.64Å; Y310-V313 HydrophobicContact CE1-CG2 4.35Å; Y310-V313 HydrophobicContact CG-CG2 3.76Å; Y310-C340 WeakPolarHBondContact CD2-O 3.43Å; Y310-C340 PolarHBondContact N-O 2.93Å; Y310-F341 HydrophobicContact CD2-CD1 4.21Å; Y310-F341 AromaticContact CD2-CE1 3.93Å; Y310-F341 HydrophobicContact CD2-CE1 3.93Å; Y310-F341 HydrophobicContact CD2-CZ 4.15Å; Y310-F341 HydrophobicContact CG-CD1 4.35Å; Y310-F341 HydrophobicContact CG-CE1 4.21Å; Y310-V342 WeakPolarHBondContact O-CG2 3.34Å; Y310-V342 PolarHBondContact O-N 2.97Å; Y310-V342 VanDerWaalsContact O-N 3.07Å; Y310-N348 PolarHBondContact O-ND2 3.42Å; Y310-F367 HydrophobicContact CD1-CZ 4.27Å; Y310-F367 HydrophobicContact CE1-CE1 4.1Å; Y310-F367 AromaticContact CE1-CZ 3.47Å; Y310-F367 HydrophobicContact CE1-CZ 3.47Å; Y310-F367 VanDerWaalsContact CE1-CZ 3.47Å; Y310-F367 AromaticContact CZ-CZ 3.81Å; Y310-N370 CarbonylContact C-O 3.53Å; Y310-N370 WeakPolarHBondContact CA-O 3.36Å; Y310-N371 HydrophobicContact CD1-CB 3.58Å; Y310-N371 VanDerWaalsContact CD1-ND2 3.29Å; Y310-N371 WeakPolarHBondContact CD1-ND2 3.27Å; Y310-N371 HydrophobicContact CE1-CB 3.73Å; Y310-N371 WeakPolarHBondContact CE1-ND2 3.44Å; Y310-N371 HydrophobicContact CG-CB 4.4Å
311L93.5Very high90.1Very high0 Ų035.4 Ų35.40%016%0.157CC..EExtended strand (participates in β ladder)trans-69.6-56.8167.2-59.3-177.1000108.8P259 L263 R309 V342 W344 I345 N348 N370 T372 F425P259-L311 HydrophobicContact CG-CB 4.27Å; P259-L311 HydrophobicContact CG-CD1 4.2Å; L263-L311 HydrophobicContact CD1-CD1 4.03Å; R309-L311 PolarHBondContact O-N 3.45Å; L311-V342 HydrophobicContact CD2-CG1 3.8Å; L311-V342 HydrophobicContact CD2-CG2 4.48Å; L311-W344 HydrophobicContact CD2-CH2 4.21Å; L311-W344 HydrophobicContact CD2-CZ2 3.82Å; L311-I345 HydrophobicContact CB-CD1 4.46Å; L311-N348 VanDerWaalsContact O-CB 3.24Å; L311-N348 WeakPolarHBondContact O-CB 3.47Å; L311-N348 PolarHBondContact O-ND2 3.22Å; L311-N370 HydrophobicContact CB-CB 4.35Å; L311-N370 PolarHBondContact N-O 2.88Å; L311-T372 HydrophobicContact CD2-CG2 4.2Å; L311-T372 HydrophobicContact CG-CG2 4.35Å; L311-F425 HydrophobicContact CD2-CB 4.35Å
312T93.3Very high90Very high6 Ų638.4 Ų38.44%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-144.2152.4179.659.30000110.5N256 M257 I345 N348 N370N256-T312 WeakPolarHBondContact O-CG2 3.29Å; M257-T312 WeakPolarHBondContact CA-OG1 3.46Å; M257-T312 PolarHBondContact O-OG1 3.41Å; T312-I345 HydrophobicContact CG2-CD1 4.3Å; T312-N348 WeakPolarHBondContact CA-O 3.12Å; T312-N370 PolarHBondContact N-O 3.12Å; T312-N370 PolarHBondContact O-N 3.18Å; T312-N370 VanDerWaalsContact OG1-CB 3.28Å; T312-N370 WeakPolarHBondContact OG1-CB 3.42Å
313V93.3Very high89.9Confident0 Ų039.3 Ų39.30%018%0.181CC..EExtended strand (participates in β ladder)trans-137136.5178.8175.80000109.5F294 Y310 F341 N348 V349 K350 F367 I368F294-V313 HydrophobicContact CZ-CG1 4.3Å; Y310-V313 HydrophobicContact CD1-CG2 3.64Å; Y310-V313 HydrophobicContact CE1-CG2 4.35Å; Y310-V313 HydrophobicContact CG-CG2 3.76Å; V313-F341 HydrophobicContact CG2-CE1 4.04Å; V313-N348 PolarHBondContact N-O 3.42Å; V313-V349 HydrophobicContact CB-CB 4.44Å; V313-V349 HydrophobicContact CB-CG1 4.23Å; V313-V349 HydrophobicContact CB-CG2 4.08Å; V313-V349 HydrophobicContact CG1-CG1 4.18Å; V313-V349 CarbonylContact O-C 3.6Å; V313-V349 WeakPolarHBondContact O-CA 3.25Å; V313-K350 PolarHBondContact O-N 3.29Å; V313-F367 HydrophobicContact CB-CE2 4.44Å; V313-F367 HydrophobicContact CG1-CD2 3.93Å; V313-F367 HydrophobicContact CG1-CE2 3.33Å; V313-F367 HydrophobicContact CG1-CZ 4.06Å; V313-F367 HydrophobicContact CG2-CE2 4.28Å; V313-F367 HydrophobicContact CG2-CZ 4.33Å; V313-I368 CarbonylContact C-O 3.58Å; V313-I368 WeakPolarHBondContact CA-O 3.39Å
314A91.3Very high90.1Very high8 Ų846.4 Ų46.47%0.06621%0.21CC..EExtended strand (participates in β ladder)trans-118.8126.9165.700000110.2L253 M257 K350 I368L253-A314 HydrophobicContact CD1-CB 4.39Å; M257-A314 HydrophobicContact CE-CB 4.07Å; M257-A314 HydrophobicContact CG-CB 4.4Å; M257-A314 HydrophobicContact SD-CB 3.57Å; M257-A314 VanDerWaalsContact SD-CB 3.57Å; A314-K350 CarbonylContact C-O 3.53Å; A314-K350 WeakPolarHBondContact CA-O 3.39Å; A314-I368 HydrophobicContact CB-CB 4.28Å; A314-I368 HydrophobicContact CB-CD1 4.44Å; A314-I368 PolarHBondContact N-O 3.23Å; A314-I368 PolarHBondContact O-N 3.36Å
315C91.5Very high90.2Very high0 Ų047.9 Ų47.90%022%0.216CC..EExtended strand (participates in β ladder)trans-113120175.2-63.20000109.4M293 F317 L330 K350 V351 A352 T366M293-C315 HydrophobicContact CE-CB 4.26Å; M293-C315 HydrophobicContact SD-CB 4.41Å; C315-F317 HydrophobicContact CB-CD2 4.22Å; C315-F317 HydrophobicContact CB-CE2 3.73Å; C315-L330 HydrophobicContact CB-CD1 4.48Å; C315-K350 PolarHBondContact N-O 3.21Å; C315-V351 WeakPolarHBondContact O-CA 3.49Å; C315-A352 PolarHBondContact O-N 3.43Å; C315-T366 WeakPolarHBondContact CA-O 3.13Å
316I91.6Very high90.4Very high7 Ų747.7 Ų47.74%0.03622%0.215CC..EExtended strand (participates in β ladder)trans-109.3105.1178.2-56.3169.1000108G235 T238 A352 A365 T366 I368G235-I316 WeakPolarHBondContact O-CD1 3.44Å; T238-I316 HydrophobicContact CG2-CG2 4.34Å; I316-A352 CarbonylContact C-O 3.58Å; I316-A352 WeakPolarHBondContact CA-O 3.46Å; I316-A352 HydrophobicContact CG1-CB 4.39Å; I316-A365 CarbonylContact O-C 3.53Å; I316-A365 WeakPolarHBondContact O-CA 3.48Å; I316-T366 PolarHBondContact N-O 3.25Å; I316-T366 PolarHBondContact O-N 3.02Å; I316-I368 HydrophobicContact CD1-CD1 4.17Å
317F92.1Very high90.6Very high0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-91140.1175.5-72.8-96.9000110.9V286 L289 M293 C315 M321 V326 L330 V351 A352 V353 C354 A365V286-F317 HydrophobicContact CG1-CE1 4.26Å; L289-F317 HydrophobicContact CB-CE1 4.32Å; M293-F317 HydrophobicContact CE-CE1 3.93Å; M293-F317 HydrophobicContact CE-CE2 3.76Å; M293-F317 HydrophobicContact CE-CZ 3.24Å; M293-F317 HydrophobicContact SD-CZ 4.46Å; C315-F317 HydrophobicContact CB-CD2 4.22Å; C315-F317 HydrophobicContact CB-CE2 3.73Å; F317-M321 HydrophobicContact CB-CE 3.83Å; F317-M321 HydrophobicContact CB-SD 3.52Å; F317-M321 VanDerWaalsContact CB-SD 3.52Å; F317-M321 HydrophobicContact CD1-CE 4.24Å; F317-M321 HydrophobicContact CD1-SD 3.64Å; F317-M321 HydrophobicContact CG-SD 3.89Å; F317-V326 HydrophobicContact CD1-CG1 4.46Å; F317-V326 HydrophobicContact CD1-CG2 4.38Å; F317-V326 HydrophobicContact CD2-CG1 3.54Å; F317-V326 HydrophobicContact CE1-CG1 4.3Å; F317-V326 HydrophobicContact CE2-CG1 3.36Å; F317-V326 HydrophobicContact CG-CG1 4.09Å; F317-V326 HydrophobicContact CG-CG2 4.38Å; F317-V326 HydrophobicContact CZ-CG1 3.75Å; F317-L330 HydrophobicContact CE2-CD1 4.07Å; F317-V351 HydrophobicContact CD2-CG1 4.1Å; F317-V351 HydrophobicContact CE2-CG1 4.34Å; F317-A352 PolarHBondContact N-O 2.87Å; F317-V353 HydrophobicContact CB-CG2 4.32Å; F317-V353 WeakPolarHBondContact O-CA 3.29Å; F317-C354 PolarHBondContact O-N 2.79Å; F317-A365 HydrophobicContact CD1-CB 3.74Å; F317-A365 HydrophobicContact CE1-CB 3.82Å; F317-A365 HydrophobicContact CG-CB 4.28Å; F317-A365 HydrophobicContact CZ-CB 4.41Å
318R90.9Very high90.8Very high3 Ų342 Ų421%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-128.1135.8-178.5-60.7-173.466.4179.4-0.9110.8E27 S234 T238 M321 C354 I356 M363 A364E27-R318 IonicContact OE1-CZ 3.23Å; E27-R318 IonicContact OE1-NH1 2.7Å; E27-R318 PolarHBondContact OE1-NH1 3.5Å; E27-R318 IonicContact OE1-NH2 2.93Å; E27-R318 PolarHBondContact OE1-NH2 3.47Å; E27-R318 IonicContact OE2-CZ 3.69Å; E27-R318 IonicContact OE2-NH1 3.78Å; E27-R318 PolarHBondContact OE2-NH1 2.9Å; E27-R318 IonicContact OE2-NH2 3.89Å; E27-R318 PolarHBondContact OE2-NH2 2.94Å; S234-R318 PolarHBondContact OG-NH1 2.68Å; S234-R318 VanDerWaalsContact OG-NH1 3.16Å; T238-R318 HydrophobicContact CG2-CG 3.92Å; T238-R318 VanDerWaalsContact OG1-CD 3.32Å; T238-R318 WeakPolarHBondContact OG1-CD 3.23Å; T238-R318 PolarHBondContact OG1-NE 2.9Å; T238-R318 PolarHBondContact OG1-NH1 3.49Å; R318-M321 WeakPolarHBondContact O-CE 3.47Å; R318-C354 CarbonylContact C-O 3.5Å; R318-C354 VanDerWaalsContact CA-O 3.3Å; R318-C354 WeakPolarHBondContact CA-O 3.35Å; R318-I356 PolarHBondContact NE-O 3.45Å; R318-I356 VanDerWaalsContact NE-O 3.15Å; R318-I356 PolarHBondContact NH2-O 3.03Å; R318-M363 CarbonylContact O-C 3.44Å; R318-M363 VanDerWaalsContact O-CA 3.25Å; R318-M363 WeakPolarHBondContact O-CA 3.42Å; R318-A364 HydrophobicContact CB-CB 4.47Å; R318-A364 PolarHBondContact N-O 3.36Å; R318-A364 PolarHBondContact O-N 2.95Å
319G88.7Confident90.9Very high1 Ų144.3 Ų44.31%0.0122%0.215CC..SBendtrans108.3169.7-178.500000112.9M321 C354G319-M321 WeakPolarHBondContact O-CE 3.22Å; G319-M321 PolarHBondContact O-N 3.46Å; G319-M321 VanDerWaalsContact O-N 3.11Å; G319-C354 PolarHBondContact N-O 3.06Å
320K85.8Confident90.8Very high187 Ų18741.6 Ų41.681%0.81321%0.205SC*.SBendtrans-72.5105.1-176.8-64.3-175.8179.8-178.60110.6
321M88.2Confident90.7Very high30 Ų3046.1 Ų46.115%0.14823%0.229CC..  trans-144.9160.8178.765.6-170.881.400112.2V286 F317 R318 G319 V326 V353 M363V286-M321 HydrophobicContact CG2-CB 4.05Å; V286-M321 HydrophobicContact CG2-SD 4.2Å; F317-M321 HydrophobicContact CB-CE 3.83Å; F317-M321 HydrophobicContact CB-SD 3.52Å; F317-M321 VanDerWaalsContact CB-SD 3.52Å; F317-M321 HydrophobicContact CD1-CE 4.24Å; F317-M321 HydrophobicContact CD1-SD 3.64Å; F317-M321 HydrophobicContact CG-SD 3.89Å; R318-M321 WeakPolarHBondContact O-CE 3.47Å; G319-M321 WeakPolarHBondContact O-CE 3.22Å; G319-M321 PolarHBondContact O-N 3.46Å; G319-M321 VanDerWaalsContact O-N 3.11Å; M321-V326 HydrophobicContact CG-CG2 3.98Å; M321-V326 HydrophobicContact SD-CG2 3.6Å; M321-V353 HydrophobicContact CG-CG1 3.95Å; M321-M363 HydrophobicContact CE-CB 4.43Å; M321-M363 HydrophobicContact CE-CG 4.32Å; M321-M363 HydrophobicContact CE-SD 4.44Å
322S88.4Confident90.6Very high63 Ų6348.7 Ų48.744%0.44125%0.247SC..  trans-79.2119.2176.9178.40000110.2K324 E325 V326S322-K324 PolarHBondContact O-N 3.48Å; S322-E325 WeakPolarHBondContact O-CB 3.4Å; S322-E325 PolarHBondContact O-N 3.13Å; S322-V326 PolarHBondContact O-N 2.87Å
323T87.1Confident90.5Very high52 Ų5249.6 Ų49.632%0.31925%0.252SS..Hα-helixtrans-56.5-39.3176.149.50000112E325 V326 D327 V353T323-E325 VanDerWaalsContact C-N 3.29Å; T323-E325 PolarHBondContact O-N 2.75Å; T323-V326 WeakPolarHBondContact O-CB 3.43Å; T323-V326 PolarHBondContact O-N 2.96Å; T323-D327 PolarHBondContact O-N 3.31Å; T323-V353 HydrophobicContact CG2-CB 4.29Å; T323-V353 HydrophobicContact CG2-CG2 4.08Å
324K90.2Very high90.3Very high157 Ų15752.1 Ų52.168%0.68326%0.264SS*.Hα-helixtrans-59.5-38.9175.8-175.9-179.2178.4-177.60112.8S322 Q328S322-K324 PolarHBondContact O-N 3.48Å; K324-Q328 WeakPolarHBondContact O-CB 3.22Å; K324-Q328 PolarHBondContact O-N 3.2Å; K324-Q328 VanDerWaalsContact O-N 3.1Å
325E91.5Very high90.2Very high78 Ų7856.6 Ų56.636%0.36429%0.291SS..Hα-helixtrans-69.4-41.8178.8-173.1-178.7175.300110.8V286 S322 T323 Q328 Q329V286-E325 HydrophobicContact CB-CG 4.22Å; V286-E325 HydrophobicContact CG1-CG 4.38Å; V286-E325 HydrophobicContact CG2-CG 4.48Å; S322-E325 WeakPolarHBondContact O-CB 3.4Å; S322-E325 PolarHBondContact O-N 3.13Å; T323-E325 VanDerWaalsContact C-N 3.29Å; T323-E325 PolarHBondContact O-N 2.75Å; E325-Q328 PolarHBondContact O-N 3.3Å; E325-Q329 WeakPolarHBondContact O-CG 3.37Å; E325-Q329 PolarHBondContact O-N 3.22Å
326V90.4Very high90.1Very high0 Ų065.9 Ų65.90%033%0.326CS..Hα-helixtrans-58.6-49.5175.9178.50000110.8V286 F317 M321 S322 T323 Q328 Q329 L330 V351V286-V326 HydrophobicContact CG1-CB 4.29Å; V286-V326 HydrophobicContact CG1-CG2 3.72Å; V286-V326 HydrophobicContact CG2-CG2 4.49Å; F317-V326 HydrophobicContact CD1-CG1 4.46Å; F317-V326 HydrophobicContact CD1-CG2 4.38Å; F317-V326 HydrophobicContact CD2-CG1 3.54Å; F317-V326 HydrophobicContact CE1-CG1 4.3Å; F317-V326 HydrophobicContact CE2-CG1 3.36Å; F317-V326 HydrophobicContact CG-CG1 4.09Å; F317-V326 HydrophobicContact CG-CG2 4.38Å; F317-V326 HydrophobicContact CZ-CG1 3.75Å; M321-V326 HydrophobicContact CG-CG2 3.98Å; M321-V326 HydrophobicContact SD-CG2 3.6Å; S322-V326 PolarHBondContact O-N 2.87Å; T323-V326 WeakPolarHBondContact O-CB 3.43Å; T323-V326 PolarHBondContact O-N 2.96Å; V326-Q328 VanDerWaalsContact C-N 3.33Å; V326-Q328 PolarHBondContact O-N 3.44Å; V326-Q329 PolarHBondContact O-N 2.87Å; V326-L330 HydrophobicContact CG1-CD1 3.9Å; V326-L330 WeakPolarHBondContact O-CG 3.22Å; V326-L330 PolarHBondContact O-N 3.28Å; V326-V351 HydrophobicContact CG1-CG1 3.62Å
327D90.1Very high89.9Confident89 Ų8968.3 Ų68.348%0.47634%0.339SS..Hα-helixtrans-61.5-41.7179.8-67.2-23.9000111.7T323 L330 L331T323-D327 PolarHBondContact O-N 3.31Å; D327-L330 PolarHBondContact O-N 3.44Å; D327-L331 VanDerWaalsContact O-CB 3.31Å; D327-L331 WeakPolarHBondContact O-CB 3.36Å; D327-L331 PolarHBondContact O-N 3.4Å
328Q92.6Very high89.7Confident124 Ų12471.8 Ų71.858%0.57936%0.363SS*.Hα-helixtrans-65.6-41.1178.4-172176.5300112.4K324 E325 V326 S332K324-Q328 WeakPolarHBondContact O-CB 3.22Å; K324-Q328 PolarHBondContact O-N 3.2Å; K324-Q328 VanDerWaalsContact O-N 3.1Å; E325-Q328 PolarHBondContact O-N 3.3Å; V326-Q328 VanDerWaalsContact C-N 3.33Å; V326-Q328 PolarHBondContact O-N 3.44Å; Q328-S332 WeakPolarHBondContact O-CB 3.42Å; Q328-S332 PolarHBondContact O-N 3.25Å
329Q92.8Very high89.5Confident54 Ų5475.4 Ų75.425%0.25239%0.389SS..Hα-helixtrans-67.3-42.2178.3-69.5-58.2-40.700111.7V286 A287 T290 E325 V326 S332 V333V286-Q329 HydrophobicContact CG1-CG 4.22Å; A287-Q329 HydrophobicContact CB-CG 4.33Å; T290-Q329 HydrophobicContact CG2-CB 4.21Å; E325-Q329 WeakPolarHBondContact O-CG 3.37Å; E325-Q329 PolarHBondContact O-N 3.22Å; V326-Q329 PolarHBondContact O-N 2.87Å; Q329-S332 WeakPolarHBondContact O-CB 3.37Å; Q329-S332 PolarHBondContact O-N 3.37Å; Q329-V333 PolarHBondContact O-N 3.33Å
330L90.4Very high89.5Confident6 Ų676.4 Ų76.43%0.03140%0.396CS..Hα-helixtrans-67.5-41.6178.1-71.8170.4000112.2T290 M293 F294 C315 F317 V326 D327 S332 V333 Q334 V351T290-L330 HydrophobicContact CG2-CD2 3.78Å; T290-L330 HydrophobicContact CG2-CG 4.33Å; M293-L330 HydrophobicContact CE-CD2 4.49Å; F294-L330 HydrophobicContact CE2-CD2 3.91Å; F294-L330 HydrophobicContact CZ-CD2 4.45Å; C315-L330 HydrophobicContact CB-CD1 4.48Å; F317-L330 HydrophobicContact CE2-CD1 4.07Å; V326-L330 HydrophobicContact CG1-CD1 3.9Å; V326-L330 WeakPolarHBondContact O-CG 3.22Å; V326-L330 PolarHBondContact O-N 3.28Å; D327-L330 PolarHBondContact O-N 3.44Å; L330-S332 VanDerWaalsContact C-N 3.27Å; L330-S332 PolarHBondContact O-N 3.38Å; L330-V333 PolarHBondContact O-N 3.14Å; L330-V333 VanDerWaalsContact O-N 3.12Å; L330-Q334 WeakPolarHBondContact O-CG 3.31Å; L330-Q334 PolarHBondContact O-N 3.18Å; L330-V351 HydrophobicContact CD1-CB 4.25Å; L330-V351 HydrophobicContact CD1-CG1 4.02Å; L330-V351 HydrophobicContact CD1-CG2 3.19Å
331L90.9Very high89.7Confident103 Ų10368.2 Ų68.254%0.53936%0.36SS..Hα-helixtrans-59-42.7173.2-175.564.2000110.6D327 V333 Q334 T335D327-L331 VanDerWaalsContact O-CB 3.31Å; D327-L331 WeakPolarHBondContact O-CB 3.36Å; D327-L331 PolarHBondContact O-N 3.4Å; L331-V333 VanDerWaalsContact C-N 3.3Å; L331-V333 PolarHBondContact O-N 3.41Å; L331-Q334 PolarHBondContact O-N 2.95Å; L331-T335 PolarHBondContact O-N 3.01Å; L331-T335 PolarHBondContact O-OG1 3.23Å
332S92.3Very high89.8Confident55 Ų5567 Ų6739%0.38535%0.354SS..Hα-helixtrans-61-36.7175.9-176.60000113Q328 Q329 L330 R336Q328-S332 WeakPolarHBondContact O-CB 3.42Å; Q328-S332 PolarHBondContact O-N 3.25Å; Q329-S332 WeakPolarHBondContact O-CB 3.37Å; Q329-S332 PolarHBondContact O-N 3.37Å; L330-S332 VanDerWaalsContact C-N 3.27Å; L330-S332 PolarHBondContact O-N 3.38Å; S332-R336 VanDerWaalsContact O-CB 3.31Å; S332-R336 WeakPolarHBondContact O-CB 3.48Å; S332-R336 PolarHBondContact O-N 2.99Å; S332-R336 VanDerWaalsContact O-N 3.11Å
333V90.3Very high89.8Confident24 Ų2470.7 Ų70.715%0.14537%0.365CS..Hα-helixtrans-70.3-43.8176.4170.50000111T290 F294 Q329 L330 L331 T335 R336 N337T290-V333 HydrophobicContact CG2-CG2 3.8Å; F294-V333 HydrophobicContact CD1-CG1 4.29Å; F294-V333 HydrophobicContact CD2-CG1 3.78Å; F294-V333 HydrophobicContact CE1-CG1 4.45Å; F294-V333 HydrophobicContact CE2-CG1 3.96Å; F294-V333 HydrophobicContact CG-CG1 3.96Å; F294-V333 HydrophobicContact CZ-CG1 4.29Å; Q329-V333 PolarHBondContact O-N 3.33Å; L330-V333 PolarHBondContact O-N 3.14Å; L330-V333 VanDerWaalsContact O-N 3.12Å; L331-V333 VanDerWaalsContact C-N 3.3Å; L331-V333 PolarHBondContact O-N 3.41Å; V333-T335 PolarHBondContact O-N 3.24Å; V333-R336 PolarHBondContact O-N 3.29Å; V333-N337 WeakPolarHBondContact O-CB 3.41Å; V333-N337 PolarHBondContact O-N 3.29Å
334Q89.4Confident89.8Confident53 Ų5372 Ų7225%0.24836%0.364CS..Hα-helixtrans-60.1-45.9176.3-72172.81400111.8L330 L331 R336 N337 S338 F341 V349L330-Q334 WeakPolarHBondContact O-CG 3.31Å; L330-Q334 PolarHBondContact O-N 3.18Å; L331-Q334 PolarHBondContact O-N 2.95Å; Q334-R336 VanDerWaalsContact C-N 3.34Å; Q334-R336 PolarHBondContact O-N 3.01Å; Q334-N337 CarbonylContact O-C 3.52Å; Q334-N337 PolarHBondContact O-N 3.28Å; Q334-S338 WeakPolarHBondContact O-CA 3.17Å; Q334-S338 PolarHBondContact O-N 3.11Å; Q334-F341 HydrophobicContact CG-CE1 4.46Å; Q334-F341 HydrophobicContact CG-CE2 4.24Å; Q334-F341 HydrophobicContact CG-CZ 4.15Å; Q334-V349 HydrophobicContact CG-CG2 4.09Å
335T89Confident89.6Confident102 Ų10266 Ų6663%0.62634%0.339SS*.Hα-helixtrans-65.6-37.7178.9-52.10000111.9L331 V333L331-T335 PolarHBondContact O-N 3.01Å; L331-T335 PolarHBondContact O-OG1 3.23Å; V333-T335 PolarHBondContact O-N 3.24Å
336R90Very high89.3Confident195 Ų19567.1 Ų67.174%0.73635%0.353SS*.Hα-helixtrans-71.6-36.8179.2-174.2178.1-69.3178.20.3112.5S332 V333 Q334S332-R336 VanDerWaalsContact O-CB 3.31Å; S332-R336 WeakPolarHBondContact O-CB 3.48Å; S332-R336 PolarHBondContact O-N 2.99Å; S332-R336 VanDerWaalsContact O-N 3.11Å; V333-R336 PolarHBondContact O-N 3.29Å; Q334-R336 VanDerWaalsContact C-N 3.34Å; Q334-R336 PolarHBondContact O-N 3.01Å
337N87.8Confident89Confident59 Ų5973.4 Ų73.432%0.31639%0.386SS..THydrogen-bonded Turntrans-114.133.9-173.7-59.6-12.5000111.4V333 Q334 S339 C340 F341V333-N337 WeakPolarHBondContact O-CB 3.41Å; V333-N337 PolarHBondContact O-N 3.29Å; Q334-N337 CarbonylContact O-C 3.52Å; Q334-N337 PolarHBondContact O-N 3.28Å; N337-S339 PolarHBondContact O-N 2.98Å; N337-S339 VanDerWaalsContact O-N 3.1Å; N337-C340 HydrophobicContact CB-CB 4.37Å; N337-C340 WeakPolarHBondContact O-CB 3.47Å; N337-C340 PolarHBondContact O-N 3.4Å; N337-F341 HydrophobicContact CB-CE2 4.28Å; N337-F341 VanDerWaalsContact O-CD2 3.29Å; N337-F341 WeakPolarHBondContact O-CD2 3.2Å
338S86.7Confident88.8Confident72 Ų7269.8 Ų69.850%0.50337%0.367SS..G310 helixtrans-55.7-33.9-172.857.30000112.8Q334 C340 F341Q334-S338 WeakPolarHBondContact O-CA 3.17Å; Q334-S338 PolarHBondContact O-N 3.11Å; S338-C340 PolarHBondContact O-N 3.44Å; S338-F341 PolarHBondContact O-N 3.47Å; S338-F341 VanDerWaalsContact O-N 3.08Å; S338-F341 VanDerWaalsContact O-O 3.1Å
339S87.6Confident88.7Confident80 Ų8064.7 Ų64.756%0.55934%0.344SS*.G310 helixtrans-62.3-22.1175.758.70000114.9N337N337-S339 PolarHBondContact O-N 2.98Å; N337-S339 VanDerWaalsContact O-N 3.1Å
340C87.7Confident88.5Confident22 Ų2265.5 Ų65.515%0.14935%0.347CS..G310 helixtrans-88.2-5178-58.60000112.3R309 Y310 N337 S338R309-C340 CarbonylContact C-O 3.56Å; R309-C340 VanDerWaalsContact CA-O 3.31Å; R309-C340 WeakPolarHBondContact CA-O 3.5Å; Y310-C340 WeakPolarHBondContact CD2-O 3.43Å; Y310-C340 PolarHBondContact N-O 2.93Å; N337-C340 HydrophobicContact CB-CB 4.37Å; N337-C340 WeakPolarHBondContact O-CB 3.47Å; N337-C340 PolarHBondContact O-N 3.4Å; S338-C340 PolarHBondContact O-N 3.44Å
341F90.9Very high88.4Confident14 Ų1466.6 Ų66.66%0.06135%0.354CS..BIsolated β-bridgetrans-111.6143.6176.4-65.2-89.8000109.1F294 Y310 V313 Q334 N337 S338 V349F294-F341 HydrophobicContact CD1-CZ 4.47Å; F294-F341 HydrophobicContact CE1-CE1 4.22Å; F294-F341 AromaticContact CE1-CZ 3.69Å; F294-F341 HydrophobicContact CE1-CZ 3.69Å; F294-F341 HydrophobicContact CZ-CZ 4.2Å; Y310-F341 HydrophobicContact CD2-CD1 4.21Å; Y310-F341 AromaticContact CD2-CE1 3.93Å; Y310-F341 HydrophobicContact CD2-CE1 3.93Å; Y310-F341 HydrophobicContact CD2-CZ 4.15Å; Y310-F341 HydrophobicContact CG-CD1 4.35Å; Y310-F341 HydrophobicContact CG-CE1 4.21Å; V313-F341 HydrophobicContact CG2-CE1 4.04Å; Q334-F341 HydrophobicContact CG-CE1 4.46Å; Q334-F341 HydrophobicContact CG-CE2 4.24Å; Q334-F341 HydrophobicContact CG-CZ 4.15Å; N337-F341 HydrophobicContact CB-CE2 4.28Å; N337-F341 VanDerWaalsContact O-CD2 3.29Å; N337-F341 WeakPolarHBondContact O-CD2 3.2Å; S338-F341 PolarHBondContact O-N 3.47Å; S338-F341 VanDerWaalsContact O-N 3.08Å; S338-F341 VanDerWaalsContact O-O 3.1Å; F341-V349 HydrophobicContact CD1-CG2 4.21Å; F341-V349 HydrophobicContact CE1-CG2 3.75Å
342V90.9Very high88.3Confident5 Ų562.3 Ų62.33%0.0333%0.334CS..  trans-70.2135.6173.7-63.40000111R309 Y310 L311 W344 I345R309-V342 HydrophobicContact CB-CG1 3.92Å; Y310-V342 WeakPolarHBondContact O-CG2 3.34Å; Y310-V342 PolarHBondContact O-N 2.97Å; Y310-V342 VanDerWaalsContact O-N 3.07Å; L311-V342 HydrophobicContact CD2-CG1 3.8Å; L311-V342 HydrophobicContact CD2-CG2 4.48Å; V342-W344 HydrophobicContact CB-CD2 4.47Å; V342-W344 HydrophobicContact CB-CZ2 4.21Å; V342-W344 HydrophobicContact CG1-CZ2 4.14Å; V342-W344 HydrophobicContact CG2-CD2 4.48Å; V342-W344 HydrophobicContact CG2-CZ2 4.14Å; V342-I345 HydrophobicContact CG2-CB 3.87Å; V342-I345 HydrophobicContact CG2-CD1 3.93Å; V342-I345 HydrophobicContact CG2-CG1 3.74Å
343E87.1Confident88.1Confident141 Ų14160.6 Ų60.666%0.65932%0.321SS*.SBendtrans-80.6-27.3-176.9-63.9176.1172.400112.4A430E343-A430 HydrophobicContact CB-CB 4.32Å
344W87.4Confident88Confident79 Ų7959.8 Ų59.830%0.29932%0.316SS..SBendtrans-81.1-12-175.354.2-96.8000114.1F260 L311 V342 P346 F425 A430F260-W344 AromaticContact CE2-CH2 3.61Å; F260-W344 HydrophobicContact CE2-CH2 3.61Å; F260-W344 HydrophobicContact CE2-CZ3 4.12Å; F260-W344 HydrophobicContact CZ-CH2 4.11Å; F260-W344 HydrophobicContact CZ-CZ3 4.21Å; L311-W344 HydrophobicContact CD2-CH2 4.21Å; L311-W344 HydrophobicContact CD2-CZ2 3.82Å; V342-W344 HydrophobicContact CB-CD2 4.47Å; V342-W344 HydrophobicContact CB-CZ2 4.21Å; V342-W344 HydrophobicContact CG1-CZ2 4.14Å; V342-W344 HydrophobicContact CG2-CD2 4.48Å; V342-W344 HydrophobicContact CG2-CZ2 4.14Å; W344-P346 VanDerWaalsContact O-CD 3.28Å; W344-P346 WeakPolarHBondContact O-CD 3.41Å; W344-F425 HydrophobicContact CH2-CD1 4.48Å; W344-F425 HydrophobicContact CZ2-CD1 4.23Å; W344-A430 HydrophobicContact CB-CB 4.16Å
345I86.7Confident87.8Confident32 Ų3262 Ų6216%0.16433%0.329CS..SBendtrans-101.298.6167.1-53.9-176.3000108.6P259 L311 T312 V342 N348P259-I345 HydrophobicContact CB-CD1 4.04Å; P259-I345 HydrophobicContact CG-CD1 4.21Å; L311-I345 HydrophobicContact CB-CD1 4.46Å; T312-I345 HydrophobicContact CG2-CD1 4.3Å; V342-I345 HydrophobicContact CG2-CB 3.87Å; V342-I345 HydrophobicContact CG2-CD1 3.93Å; V342-I345 HydrophobicContact CG2-CG1 3.74Å; I345-N348 HydrophobicContact CB-CB 4.09Å; I345-N348 HydrophobicContact CG2-CB 3.74Å
346P84.4Confident87.7Confident101 Ų10158.4 Ų58.466%0.65631%0.306SS*.THydrogen-bonded Turntrans-66.3142.7175.628.1-34.2000110.7W344 N348W344-P346 VanDerWaalsContact O-CD 3.28Å; W344-P346 WeakPolarHBondContact O-CD 3.41Å; P346-N348 VanDerWaalsContact C-N 3.33Å; P346-N348 PolarHBondContact O-N 2.83Å
347N83.8Confident87.6Confident131 Ų13151.5 Ų51.570%0.70129%0.286SS*.THydrogen-bonded Turntrans53.645.8176-57.1-47000113.8V349 K350N347-V349 VanDerWaalsContact C-N 3.25Å; N347-V349 PolarHBondContact O-N 2.89Å; N347-K350 PolarHBondContact O-NZ 2.92Å
348N87.3Confident87.5Confident14 Ų1448.8 Ų48.88%0.07527%0.272CS..  trans-74.3-6.1-176.365.6-13.4000115.4Y310 L311 T312 V313 I345 P346Y310-N348 PolarHBondContact O-ND2 3.42Å; L311-N348 VanDerWaalsContact O-CB 3.24Å; L311-N348 WeakPolarHBondContact O-CB 3.47Å; L311-N348 PolarHBondContact O-ND2 3.22Å; T312-N348 WeakPolarHBondContact CA-O 3.12Å; V313-N348 PolarHBondContact N-O 3.42Å; I345-N348 HydrophobicContact CB-CB 4.09Å; I345-N348 HydrophobicContact CG2-CB 3.74Å; P346-N348 VanDerWaalsContact C-N 3.33Å; P346-N348 PolarHBondContact O-N 2.83Å
349V89.4Confident87.2Confident16 Ų1652.7 Ų52.710%0.09728%0.276CS..EExtended strand (participates in β ladder)trans-102.5122.9174.7-174.40000110.1V313 Q334 F341 N347V313-V349 HydrophobicContact CB-CB 4.44Å; V313-V349 HydrophobicContact CB-CG1 4.23Å; V313-V349 HydrophobicContact CB-CG2 4.08Å; V313-V349 HydrophobicContact CG1-CG1 4.18Å; V313-V349 CarbonylContact O-C 3.6Å; V313-V349 WeakPolarHBondContact O-CA 3.25Å; Q334-V349 HydrophobicContact CG-CG2 4.09Å; F341-V349 HydrophobicContact CD1-CG2 4.21Å; F341-V349 HydrophobicContact CE1-CG2 3.75Å; N347-V349 VanDerWaalsContact C-N 3.25Å; N347-V349 PolarHBondContact O-N 2.89Å
350K88.7Confident86.9Confident71 Ų7152.1 Ų52.131%0.30928%0.282SS..EExtended strand (participates in β ladder)trans-107.5143.6174.2-57.7-52.1-176.1-153.40110.4N256 V313 A314 C315 N347N256-K350 HydrophobicContact CB-CG 4.23Å; N256-K350 WeakPolarHBondContact OD1-CE 3.49Å; V313-K350 PolarHBondContact O-N 3.29Å; A314-K350 CarbonylContact C-O 3.53Å; A314-K350 WeakPolarHBondContact CA-O 3.39Å; C315-K350 PolarHBondContact N-O 3.21Å; N347-K350 PolarHBondContact O-NZ 2.92Å
351V88.9Confident86.8Confident30 Ų3052.6 Ų52.618%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-126.4133.5-176.4-170.30000109.1C315 F317 V326 L330 V353C315-V351 WeakPolarHBondContact O-CA 3.49Å; F317-V351 HydrophobicContact CD2-CG1 4.1Å; F317-V351 HydrophobicContact CE2-CG1 4.34Å; V326-V351 HydrophobicContact CG1-CG1 3.62Å; L330-V351 HydrophobicContact CD1-CB 4.25Å; L330-V351 HydrophobicContact CD1-CG1 4.02Å; L330-V351 HydrophobicContact CD1-CG2 3.19Å; V351-V353 HydrophobicContact CG1-CG2 4.37Å
352A87.9Confident86.6Confident13 Ų1355.7 Ų55.711%0.10731%0.307CS..EExtended strand (participates in β ladder)trans-124.8137.1168.700000108.9L246 C315 I316 F317L246-A352 HydrophobicContact CB-CB 4.12Å; C315-A352 PolarHBondContact O-N 3.43Å; I316-A352 CarbonylContact C-O 3.58Å; I316-A352 WeakPolarHBondContact CA-O 3.46Å; I316-A352 HydrophobicContact CG1-CB 4.39Å; F317-A352 PolarHBondContact N-O 2.87Å
353V88.5Confident86.5Confident18 Ų1856.9 Ų56.911%0.10931%0.312CS..EExtended strand (participates in β ladder)trans-119.6128.1174.8-174.80000108.4F317 M321 T323 V351F317-V353 HydrophobicContact CB-CG2 4.32Å; F317-V353 WeakPolarHBondContact O-CA 3.29Å; M321-V353 HydrophobicContact CG-CG1 3.95Å; T323-V353 HydrophobicContact CG2-CB 4.29Å; T323-V353 HydrophobicContact CG2-CG2 4.08Å; V351-V353 HydrophobicContact CG1-CG2 4.37Å
354C88.3Confident86.8Confident7 Ų750.1 Ų50.15%0.04728%0.281CS..EExtended strand (participates in β ladder)trans-119.8130.6175.5179.30000109.5T238 F317 R318 G319 I356T238-C354 HydrophobicContact CG2-CB 3.67Å; F317-C354 PolarHBondContact O-N 2.79Å; R318-C354 CarbonylContact C-O 3.5Å; R318-C354 VanDerWaalsContact CA-O 3.3Å; R318-C354 WeakPolarHBondContact CA-O 3.35Å; G319-C354 PolarHBondContact N-O 3.06Å; C354-I356 PolarHBondContact O-N 2.82Å
355D85.9Confident87Confident99 Ų9946.4 Ų46.453%0.52927%0.267SS..SBendtrans-72.4-17.8-176.4-68.6-29000113.3P357D355-P357 VanDerWaalsContact O-CD 3.25Å; D355-P357 WeakPolarHBondContact O-CD 3.49Å
356I85.6Confident87.3Confident27 Ų2744.9 Ų44.914%0.13826%0.259CS..  trans-89.5108.2-177.6-61.2170.5000109.6L42 F242 R318 C354L42-I356 HydrophobicContact CB-CD1 3.78Å; L42-I356 HydrophobicContact CD1-CD1 4.47Å; F242-I356 HydrophobicContact CB-CD1 4.36Å; F242-I356 HydrophobicContact CD1-CD1 3.33Å; F242-I356 HydrophobicContact CE1-CD1 3.67Å; F242-I356 HydrophobicContact CE1-CG2 4.3Å; F242-I356 HydrophobicContact CE2-CG2 4.29Å; F242-I356 HydrophobicContact CG-CD1 3.87Å; F242-I356 HydrophobicContact CZ-CD1 4.45Å; F242-I356 HydrophobicContact CZ-CG2 4.08Å; R318-I356 PolarHBondContact NE-O 3.45Å; R318-I356 VanDerWaalsContact NE-O 3.15Å; R318-I356 PolarHBondContact NH2-O 3.03Å; C354-I356 PolarHBondContact O-N 2.82Å
357P87.5Confident87.7Confident50 Ų5040 Ų4033%0.32523%0.228SC..PPolyproline II helixtrans-73.4158.2176.334-35.9000111.2D355 L361 S362D355-P357 VanDerWaalsContact O-CD 3.25Å; D355-P357 WeakPolarHBondContact O-CD 3.49Å; P357-L361 WeakPolarHBondContact CB-O 3.43Å; P357-S362 WeakPolarHBondContact CB-O 3.3Å
358P86.2Confident88.2Confident3 Ų333.9 Ų33.92%0.01919%0.194CC..PPolyproline II helixtrans-67.5158.1170.227.7-30.4000111G360 L361 A364P358-G360 PolarHBondContact O-N 3.12Å; P358-L361 HydrophobicContact CG-CB 4.17Å; P358-L361 HydrophobicContact CG-CD1 4.12Å; P358-L361 PolarHBondContact O-N 3.34Å; P358-L361 VanDerWaalsContact O-O 3.09Å; P358-A364 HydrophobicContact CG-CB 3.54Å
359R81.3Confident88.5Confident154 Ų15433.2 Ų33.258%0.58119%0.191SC*.THydrogen-bonded Turntrans-62.7134.6-177.6-165.2177.6-173.2-173.34.3111.3E26 L361E26-R359 VanDerWaalsContact CG-NH1 3.31Å; E26-R359 IonicContact OE1-NH1 3.25Å; E26-R359 PolarHBondContact OE1-NH1 3.22Å; E26-R359 VanDerWaalsContact OE2-CD 3.22Å; E26-R359 WeakPolarHBondContact OE2-CD 3.46Å; E26-R359 IonicContact OE2-CZ 3.2Å; E26-R359 IonicContact OE2-NE 3.07Å; E26-R359 IonicContact OE2-NH1 2.75Å; E26-R359 PolarHBondContact OE2-NH1 2.96Å; R359-L361 VanDerWaalsContact C-N 3.29Å; R359-L361 PolarHBondContact O-N 2.85Å
360G81.2Confident88.8Confident67 Ų6732.4 Ų32.469%0.69119%0.186SC*.THydrogen-bonded Turntrans82.4-2178.200000115.2P358P358-G360 PolarHBondContact O-N 3.12Å
361L84.9Confident89Confident32 Ų3229 Ų2917%0.16817%0.172CC..  trans-126.5146.3176.1-62.7170.5000110.1F270 P272 P357 P358 R359 A364F270-L361 HydrophobicContact CE1-CD1 4.29Å; F270-L361 HydrophobicContact CZ-CD1 4.12Å; P272-L361 HydrophobicContact CG-CD1 4.37Å; P272-L361 HydrophobicContact CG-CD2 4.14Å; P357-L361 WeakPolarHBondContact CB-O 3.43Å; P358-L361 HydrophobicContact CG-CB 4.17Å; P358-L361 HydrophobicContact CG-CD1 4.12Å; P358-L361 PolarHBondContact O-N 3.34Å; P358-L361 VanDerWaalsContact O-O 3.09Å; R359-L361 VanDerWaalsContact C-N 3.29Å; R359-L361 PolarHBondContact O-N 2.85Å; L361-A364 HydrophobicContact CD1-CB 4.41Å
362S86.6Confident89.3Confident79 Ų7927.6 Ų27.655%0.55216%0.163SC*.SBendtrans-83.4-32.2173.357.40000112.3P357P357-S362 WeakPolarHBondContact CB-O 3.3Å
363M90.1Very high89.6Confident30 Ų3027.1 Ų27.115%0.14816%0.159CC..  trans-144.6144.7178.6-63.2-175.4-69.500109.9L284 L289 R318 M321L284-M363 HydrophobicContact CB-CE 3.98Å; L284-M363 WeakPolarHBondContact O-CE 3.42Å; L289-M363 HydrophobicContact CD1-CB 3.87Å; R318-M363 CarbonylContact O-C 3.44Å; R318-M363 VanDerWaalsContact O-CA 3.25Å; R318-M363 WeakPolarHBondContact O-CA 3.42Å; M321-M363 HydrophobicContact CE-CB 4.43Å; M321-M363 HydrophobicContact CE-CG 4.32Å; M321-M363 HydrophobicContact CE-SD 4.44Å
364A92.1Very high89.8Confident0 Ų026.2 Ų26.20%015%0.153CC..EExtended strand (participates in β ladder)trans-146.1161172.200000110F270 A271 R318 P358 L361F270-A364 HydrophobicContact CE2-CB 4.2Å; F270-A364 HydrophobicContact CZ-CB 3.91Å; A271-A364 CarbonylContact O-C 3.51Å; A271-A364 WeakPolarHBondContact O-CA 3.38Å; R318-A364 HydrophobicContact CB-CB 4.47Å; R318-A364 PolarHBondContact N-O 3.36Å; R318-A364 PolarHBondContact O-N 2.95Å; P358-A364 HydrophobicContact CG-CB 3.54Å; L361-A364 HydrophobicContact CD1-CB 4.41Å
365A92.5Very high90Very high0 Ų026.8 Ų26.80%016%0.155CC..EExtended strand (participates in β ladder)trans-138.8134.9173.400000109.2A271 L289 M293 I316 F317A271-A365 PolarHBondContact N-O 2.52Å; A271-A365 PolarHBondContact O-N 3.23Å; A271-A365 VanDerWaalsContact O-O 3.06Å; L289-A365 HydrophobicContact CB-CB 4.16Å; M293-A365 HydrophobicContact CE-CB 4.03Å; M293-A365 HydrophobicContact CG-CB 3.99Å; M293-A365 HydrophobicContact SD-CB 3.39Å; M293-A365 WeakPolarHBondContact SD-CB 3.4Å; I316-A365 CarbonylContact O-C 3.53Å; I316-A365 WeakPolarHBondContact O-CA 3.48Å; F317-A365 HydrophobicContact CD1-CB 3.74Å; F317-A365 HydrophobicContact CE1-CB 3.82Å; F317-A365 HydrophobicContact CG-CB 4.28Å; F317-A365 HydrophobicContact CZ-CB 4.41Å
366T93.4Very high90.3Very high0 Ų024.6 Ų24.60%014%0.142CC..EExtended strand (participates in β ladder)trans-115132.3177-53.20000108.5G235 I236 C315 I316G235-T366 VanDerWaalsContact CA-OG1 3.24Å; G235-T366 WeakPolarHBondContact CA-OG1 3.47Å; I236-T366 HydrophobicContact CG1-CG2 3.94Å; C315-T366 WeakPolarHBondContact CA-O 3.13Å; I316-T366 PolarHBondContact N-O 3.25Å; I316-T366 PolarHBondContact O-N 3.02Å
367F92.6Very high90.6Very high0 Ų023.3 Ų23.30%014%0.135CC..EExtended strand (participates in β ladder)trans-109.4135.1-175.9176.5-96.4000109.1P268 G269 M293 F294 Y310 V313P268-F367 CarbonylContact C-O 3.58Å; P268-F367 VanDerWaalsContact CA-O 3.31Å; P268-F367 WeakPolarHBondContact CA-O 3.05Å; G269-F367 PolarHBondContact N-O 3.02Å; G269-F367 PolarHBondContact O-N 2.74Å; M293-F367 HydrophobicContact CB-CB 4.2Å; M293-F367 HydrophobicContact CB-CD2 4.31Å; M293-F367 HydrophobicContact CG-CB 4.19Å; M293-F367 HydrophobicContact SD-CB 4.16Å; F294-F367 HydrophobicContact CD1-CE2 4.14Å; F294-F367 AromaticContact CE1-CE2 3.72Å; F294-F367 HydrophobicContact CE1-CE2 3.72Å; F294-F367 HydrophobicContact CE1-CZ 4.37Å; F294-F367 AromaticContact CZ-CE2 3.98Å; F294-F367 HydrophobicContact CZ-CE2 3.98Å; Y310-F367 HydrophobicContact CD1-CZ 4.27Å; Y310-F367 HydrophobicContact CE1-CE1 4.1Å; Y310-F367 AromaticContact CE1-CZ 3.47Å; Y310-F367 HydrophobicContact CE1-CZ 3.47Å; Y310-F367 VanDerWaalsContact CE1-CZ 3.47Å; Y310-F367 AromaticContact CZ-CZ 3.81Å; V313-F367 HydrophobicContact CB-CE2 4.44Å; V313-F367 HydrophobicContact CG1-CD2 3.93Å; V313-F367 HydrophobicContact CG1-CE2 3.33Å; V313-F367 HydrophobicContact CG1-CZ 4.06Å; V313-F367 HydrophobicContact CG2-CE2 4.28Å; V313-F367 HydrophobicContact CG2-CZ 4.33Å
368I93.9Very high90.8Very high1 Ų120.9 Ų20.91%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-129.2110.5170.6-50.7168.9000105.7F200 I236 M257 F266 V313 A314 I316F200-I368 HydrophobicContact CD1-CG2 4.36Å; F200-I368 HydrophobicContact CE1-CD1 4.15Å; F200-I368 HydrophobicContact CE1-CG1 4.39Å; F200-I368 HydrophobicContact CE1-CG2 3.82Å; I236-I368 HydrophobicContact CB-CD1 4.36Å; I236-I368 HydrophobicContact CG1-CD1 3.87Å; I236-I368 HydrophobicContact CG1-CG1 3.94Å; I236-I368 HydrophobicContact CG2-CD1 4.02Å; M257-I368 HydrophobicContact CE-CB 4.12Å; M257-I368 HydrophobicContact CE-CG2 3.75Å; M257-I368 VanDerWaalsContact CE-O 3.22Å; M257-I368 WeakPolarHBondContact CE-O 3.46Å; F266-I368 HydrophobicContact CB-CG2 3.74Å; F266-I368 HydrophobicContact CD1-CG2 4.43Å; F266-I368 HydrophobicContact CD2-CG2 3.98Å; F266-I368 HydrophobicContact CG-CG2 3.8Å; V313-I368 CarbonylContact C-O 3.58Å; V313-I368 WeakPolarHBondContact CA-O 3.39Å; A314-I368 HydrophobicContact CB-CB 4.28Å; A314-I368 HydrophobicContact CB-CD1 4.44Å; A314-I368 PolarHBondContact N-O 3.23Å; A314-I368 PolarHBondContact O-N 3.36Å; I316-I368 HydrophobicContact CD1-CD1 4.17Å
369G93.4Very high91.1Very high0 Ų023.2 Ų23.20%013%0.132CC..EExtended strand (participates in β ladder)trans-111.5126.8178.700000111.2F266 I267F266-G369 WeakPolarHBondContact CA-O 3.39Å; I267-G369 PolarHBondContact N-O 2.94Å; I267-G369 PolarHBondContact O-N 3.15Å
370N94.7Very high91.6Very high0 Ų017.7 Ų17.70%011%0.111CC..EExtended strand (participates in β ladder)trans-90.8100.7159.1-166.9-13.8000107.1M257 L263 F266 Y310 L311 T312M257-N370 PolarHBondContact O-ND2 2.91Å; L263-N370 PolarHBondContact O-ND2 3.2Å; F266-N370 HydrophobicContact CD1-CB 3.9Å; F266-N370 HydrophobicContact CE1-CB 3.98Å; Y310-N370 CarbonylContact C-O 3.53Å; Y310-N370 WeakPolarHBondContact CA-O 3.36Å; L311-N370 HydrophobicContact CB-CB 4.35Å; L311-N370 PolarHBondContact N-O 2.88Å; T312-N370 PolarHBondContact N-O 3.12Å; T312-N370 PolarHBondContact O-N 3.18Å; T312-N370 VanDerWaalsContact OG1-CB 3.28Å; T312-N370 WeakPolarHBondContact OG1-CB 3.42Å
371N94.3Very high92Very high0 Ų014.9 Ų14.90%08%0.08CC..EExtended strand (participates in β ladder)trans-127.7137.8-175.8-170.1-46.1000109.6I267 P305 G308 R309 Y310 A373 I374I267-N371 HydrophobicContact CD1-CB 3.85Å; P305-N371 PolarHBondContact O-ND2 2.67Å; G308-N371 WeakPolarHBondContact CA-OD1 3.27Å; R309-N371 PolarHBondContact N-OD1 2.99Å; R309-N371 WeakPolarHBondContact O-CA 3.45Å; R309-N371 PolarHBondContact O-OD1 3.35Å; Y310-N371 HydrophobicContact CD1-CB 3.58Å; Y310-N371 VanDerWaalsContact CD1-ND2 3.29Å; Y310-N371 WeakPolarHBondContact CD1-ND2 3.27Å; Y310-N371 HydrophobicContact CE1-CB 3.73Å; Y310-N371 WeakPolarHBondContact CE1-ND2 3.44Å; Y310-N371 HydrophobicContact CG-CB 4.4Å; N371-A373 PolarHBondContact O-N 3.08Å; N371-A373 VanDerWaalsContact O-N 3.12Å; N371-A373 VanDerWaalsContact OD1-CB 3.27Å; N371-A373 WeakPolarHBondContact OD1-CB 3.35Å; N371-A373 PolarHBondContact OD1-N 3Å; N371-I374 WeakPolarHBondContact O-CG2 3.3Å; N371-I374 PolarHBondContact O-N 3.18Å; N371-I374 VanDerWaalsContact O-N 3.13Å
372T94.3Very high92.4Very high0 Ų013.4 Ų13.40%07%0.073CC..G310 helixtrans-60.7-20.917864.10000113.3G308 R309 L311 I374 Q375 Y422 Q426G308-T372 VanDerWaalsContact CA-OG1 3.27Å; G308-T372 WeakPolarHBondContact CA-OG1 3.37Å; R309-T372 PolarHBondContact N-OG1 3.26Å; R309-T372 PolarHBondContact O-N 2.76Å; L311-T372 HydrophobicContact CD2-CG2 4.2Å; L311-T372 HydrophobicContact CG-CG2 4.35Å; T372-I374 PolarHBondContact O-N 3.33Å; T372-I374 VanDerWaalsContact O-N 3.09Å; T372-Q375 WeakPolarHBondContact O-CB 3.31Å; T372-Q375 WeakPolarHBondContact O-CG 3.47Å; T372-Q375 PolarHBondContact O-N 2.92Å; T372-Q375 VanDerWaalsContact O-N 3.16Å; T372-Y422 HydrophobicContact CG2-CD1 4.28Å; T372-Y422 WeakPolarHBondContact CG2-O 3Å; T372-Q426 HydrophobicContact CG2-CB 3.99Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.37Å; T372-Q426 PolarHBondContact OG1-OE1 2.96Å
373A93.9Very high92.6Very high2 Ų216.2 Ų16.22%0.0178%0.077CC..G310 helixtrans-60-16.3174.400000114C303 D304 N371 Q375 E376C303-A373 HydrophobicContact CB-CB 4.39Å; C303-A373 WeakPolarHBondContact CB-O 3.35Å; D304-A373 WeakPolarHBondContact O-CB 3.48Å; N371-A373 PolarHBondContact O-N 3.08Å; N371-A373 VanDerWaalsContact O-N 3.12Å; N371-A373 VanDerWaalsContact OD1-CB 3.27Å; N371-A373 WeakPolarHBondContact OD1-CB 3.35Å; N371-A373 PolarHBondContact OD1-N 3Å; A373-Q375 PolarHBondContact O-N 2.73Å; A373-Q375 VanDerWaalsContact O-N 3.08Å; A373-E376 PolarHBondContact O-N 3.24Å
374I93.7Very high92.6Very high0 Ų018.7 Ų18.70%09%0.088CC..G310 helixtrans-56.8-23.7173.7-165.571.9000112.1C201 F265 I267 N371 T372 E376 I377 F378 Y422C201-I374 HydrophobicContact CB-CD1 3.93Å; F265-I374 HydrophobicContact CB-CG1 4.24Å; I267-I374 HydrophobicContact CD1-CB 4.09Å; I267-I374 HydrophobicContact CD1-CD1 4.18Å; I267-I374 HydrophobicContact CG1-CB 4.33Å; I267-I374 HydrophobicContact CG1-CD1 3.55Å; I267-I374 HydrophobicContact CG1-CG1 4.45Å; N371-I374 WeakPolarHBondContact O-CG2 3.3Å; N371-I374 PolarHBondContact O-N 3.18Å; N371-I374 VanDerWaalsContact O-N 3.13Å; T372-I374 PolarHBondContact O-N 3.33Å; T372-I374 VanDerWaalsContact O-N 3.09Å; I374-E376 PolarHBondContact O-N 2.64Å; I374-E376 VanDerWaalsContact O-N 3.1Å; I374-I377 HydrophobicContact CD1-CD1 3.86Å; I374-I377 WeakPolarHBondContact O-CB 3.38Å; I374-I377 PolarHBondContact O-N 2.71Å; I374-F378 HydrophobicContact CG1-CE2 3.91Å; I374-F378 HydrophobicContact CG1-CZ 4.25Å; I374-F378 HydrophobicContact CG2-CD2 4.49Å; I374-F378 HydrophobicContact CG2-CE2 3.98Å; I374-Y422 HydrophobicContact CG2-CD1 4.1Å; I374-Y422 HydrophobicContact CG2-CD2 4.09Å; I374-Y422 HydrophobicContact CG2-CE1 3.65Å; I374-Y422 HydrophobicContact CG2-CE2 3.67Å; I374-Y422 HydrophobicContact CG2-CG 4.29Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.43Å
375Q92.5Very high92.7Very high18 Ų1818.7 Ų18.78%0.0849%0.088CC..Hα-helixtrans-55.6-26174.273177.9-35.500113.9T372 A373 I377 F378 N379 V419 Q426T372-Q375 WeakPolarHBondContact O-CB 3.31Å; T372-Q375 WeakPolarHBondContact O-CG 3.47Å; T372-Q375 PolarHBondContact O-N 2.92Å; T372-Q375 VanDerWaalsContact O-N 3.16Å; A373-Q375 PolarHBondContact O-N 2.73Å; A373-Q375 VanDerWaalsContact O-N 3.08Å; Q375-I377 VanDerWaalsContact C-N 3.26Å; Q375-I377 PolarHBondContact O-N 3.45Å; Q375-F378 PolarHBondContact O-N 3.33Å; Q375-N379 WeakPolarHBondContact O-CB 3.43Å; Q375-N379 PolarHBondContact O-N 3.48Å; Q375-N379 PolarHBondContact O-ND2 3Å; Q375-N379 VanDerWaalsContact O-ND2 3.15Å; Q375-V419 HydrophobicContact CB-CG1 4.33Å; Q375-V419 HydrophobicContact CB-CG2 4.48Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.11Å
376E91.9Very high92.7Very high53 Ų5319.5 Ų19.525%0.2489%0.094CC..Hα-helixtrans-60.8-36.9175.4-66.6-169.2147.400111.7C303 D304 R307 A373 I374 R380C303-E376 VanDerWaalsContact CA-OE2 3.32Å; C303-E376 WeakPolarHBondContact CA-OE2 3.49Å; C303-E376 HydrophobicContact CB-CB 4.35Å; D304-E376 PolarHBondContact N-OE2 2.88Å; D304-E376 VanDerWaalsContact N-OE2 3.09Å; R307-E376 WeakPolarHBondContact CD-OE1 3.3Å; R307-E376 IonicContact CZ-OE1 3.86Å; R307-E376 IonicContact NE-OE1 3.99Å; R307-E376 IonicContact NH1-OE1 3.87Å; R307-E376 PolarHBondContact NH1-OE1 3.27Å; A373-E376 PolarHBondContact O-N 3.24Å; I374-E376 PolarHBondContact O-N 2.64Å; I374-E376 VanDerWaalsContact O-N 3.1Å; E376-R380 WeakPolarHBondContact O-CB 3.32Å; E376-R380 PolarHBondContact O-N 2.84Å
377I91.4Very high92.6Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-70.6-44.1178.3-65.8179.6000110.3M170 A301 I374 Q375 R380 V381M170-I377 HydrophobicContact CG-CG2 4.18Å; M170-I377 HydrophobicContact SD-CG2 4.22Å; A301-I377 HydrophobicContact CB-CD1 3.61Å; I374-I377 HydrophobicContact CD1-CD1 3.86Å; I374-I377 WeakPolarHBondContact O-CB 3.38Å; I374-I377 PolarHBondContact O-N 2.71Å; Q375-I377 VanDerWaalsContact C-N 3.26Å; Q375-I377 PolarHBondContact O-N 3.45Å; I377-R380 PolarHBondContact O-N 3.31Å; I377-V381 WeakPolarHBondContact O-CG2 3.5Å; I377-V381 PolarHBondContact O-N 2.99Å
378F92.8Very high92.6Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-64.3-44.4178-63.4-47.5000111.8M170 I189 F265 I374 Q375 R380 V381 S382 I415 L418 V419 Y422M170-F378 HydrophobicContact CE-CE1 4.41Å; I189-F378 HydrophobicContact CD1-CD1 3.99Å; I189-F378 HydrophobicContact CD1-CE1 4.01Å; I189-F378 HydrophobicContact CG1-CE1 4.37Å; I189-F378 HydrophobicContact CG2-CD1 4.32Å; I189-F378 HydrophobicContact CG2-CE1 3.98Å; F265-F378 HydrophobicContact CB-CE2 4.45Å; F265-F378 HydrophobicContact CB-CZ 4.08Å; F265-F378 HydrophobicContact CD1-CE1 4.43Å; F265-F378 AromaticContact CD1-CZ 3.77Å; F265-F378 HydrophobicContact CD1-CZ 3.77Å; F265-F378 HydrophobicContact CD2-CE2 4.19Å; F265-F378 AromaticContact CD2-CZ 3.77Å; F265-F378 HydrophobicContact CD2-CZ 3.77Å; F265-F378 HydrophobicContact CE1-CE1 4.47Å; F265-F378 HydrophobicContact CE1-CZ 4.11Å; F265-F378 HydrophobicContact CE2-CZ 4.12Å; F265-F378 HydrophobicContact CG-CE2 4.25Å; F265-F378 AromaticContact CG-CZ 3.59Å; F265-F378 HydrophobicContact CG-CZ 3.59Å; F265-F378 HydrophobicContact CZ-CZ 4.28Å; I374-F378 HydrophobicContact CG1-CE2 3.91Å; I374-F378 HydrophobicContact CG1-CZ 4.25Å; I374-F378 HydrophobicContact CG2-CD2 4.49Å; I374-F378 HydrophobicContact CG2-CE2 3.98Å; Q375-F378 PolarHBondContact O-N 3.33Å; F378-R380 PolarHBondContact O-N 3.37Å; F378-V381 PolarHBondContact O-N 3Å; F378-S382 VanDerWaalsContact O-CB 3.27Å; F378-S382 WeakPolarHBondContact O-CB 3.31Å; F378-S382 PolarHBondContact O-N 2.77Å; F378-I415 HydrophobicContact CB-CG2 4.11Å; F378-L418 HydrophobicContact CD2-CD2 4.02Å; F378-L418 HydrophobicContact CE1-CD2 4.39Å; F378-L418 HydrophobicContact CE2-CD2 3.69Å; F378-L418 HydrophobicContact CZ-CD2 3.91Å; F378-V419 HydrophobicContact CB-CG2 3.63Å; F378-Y422 HydrophobicContact CD2-CE2 4.4Å; F378-Y422 HydrophobicContact CE2-CD2 4.44Å; F378-Y422 AromaticContact CE2-CE2 3.86Å; F378-Y422 HydrophobicContact CE2-CE2 3.86Å
379N92.6Very high92.5Very high52 Ų5225.5 Ų25.528%0.27813%0.131SC..Hα-helixtrans-59.4-45.2173.8-78.2-40000111.6Q375 V381 S382 E383Q375-N379 WeakPolarHBondContact O-CB 3.43Å; Q375-N379 PolarHBondContact O-N 3.48Å; Q375-N379 PolarHBondContact O-ND2 3Å; Q375-N379 VanDerWaalsContact O-ND2 3.15Å; N379-V381 PolarHBondContact O-N 2.92Å; N379-S382 PolarHBondContact O-N 3.23Å; N379-E383 WeakPolarHBondContact O-CB 3.37Å; N379-E383 WeakPolarHBondContact O-CG 3.37Å; N379-E383 PolarHBondContact O-N 3.31Å
380R91.2Very high92.5Very high38 Ų3834 Ų3414%0.14317%0.168CC..Hα-helixtrans-59.8-43.9177.1-175.9-17464.9-160.8-11.8112.1D203 E205 E376 I377 F378 H384D203-R380 IonicContact OD1-NH2 2.68Å; D203-R380 IonicContact OD2-CZ 2.85Å; D203-R380 VanDerWaalsContact OD2-CZ 3.28Å; D203-R380 IonicContact OD2-NH1 2.84Å; D203-R380 PolarHBondContact OD2-NH1 2.92Å; D203-R380 IonicContact OD2-NH2 3.99Å; D203-R380 PolarHBondContact OD2-NH2 3.37Å; E205-R380 IonicContact OE2-CZ 3.86Å; E205-R380 IonicContact OE2-NH1 3.26Å; E205-R380 PolarHBondContact OE2-NH1 3.48Å; E376-R380 WeakPolarHBondContact O-CB 3.32Å; E376-R380 PolarHBondContact O-N 2.84Å; I377-R380 PolarHBondContact O-N 3.31Å; F378-R380 PolarHBondContact O-N 3.37Å; R380-H384 PolarHBondContact O-N 2.97Å; R380-H384 PolarHBondContact O-ND1 3.46Å
381V90.3Very high92.4Very high7 Ų744 Ų444%0.04221%0.205CC..Hα-helixtrans-68.1-42.9178.51730000110.5A185 V186 I377 F378 N379 H384 F385A185-V381 HydrophobicContact CB-CG1 3.88Å; V186-V381 HydrophobicContact CG2-CG1 3.77Å; I377-V381 WeakPolarHBondContact O-CG2 3.5Å; I377-V381 PolarHBondContact O-N 2.99Å; F378-V381 PolarHBondContact O-N 3Å; N379-V381 PolarHBondContact O-N 2.92Å; V381-H384 PolarHBondContact O-N 3.01Å; V381-F385 WeakPolarHBondContact O-CB 3.1Å; V381-F385 PolarHBondContact O-N 3.48Å
382S91.8Very high92.3Very high2 Ų250.8 Ų50.81%0.01424%0.235CC..Hα-helixtrans-62.7-44.3178.4-160.90000112.2F378 N379 H384 F385 S386 H416F378-S382 VanDerWaalsContact O-CB 3.27Å; F378-S382 WeakPolarHBondContact O-CB 3.31Å; F378-S382 PolarHBondContact O-N 2.77Å; N379-S382 PolarHBondContact O-N 3.23Å; S382-H384 PolarHBondContact O-N 3.25Å; S382-F385 WeakPolarHBondContact O-CB 3.32Å; S382-F385 PolarHBondContact O-N 3.15Å; S382-S386 PolarHBondContact O-N 3.07Å; S382-S386 PolarHBondContact O-OG 3.01Å; S382-H416 PolarHBondContact OG-CE1 3.12Å; S382-H416 PolarHBondContact OG-NE2 3.31Å
383E91.9Very high92.1Very high138 Ų13852.2 Ų52.265%0.64525%0.247SC*.Hα-helixtrans-60.4-44179-77.6178.6-178.900112.3N379 A387N379-E383 WeakPolarHBondContact O-CB 3.37Å; N379-E383 WeakPolarHBondContact O-CG 3.37Å; N379-E383 PolarHBondContact O-N 3.31Å; E383-A387 WeakPolarHBondContact O-CB 3.33Å; E383-A387 PolarHBondContact O-N 3.21Å
384H90.4Very high92Very high82 Ų8255.6 Ų55.638%0.3826%0.261SS..Hα-helixtrans-66.4-40.6176-69114.6000111.7P182 R380 V381 S382 A387 M388P182-H384 HydrophobicContact CB-CB 3.97Å; P182-H384 HydrophobicContact CG-CB 3.73Å; R380-H384 PolarHBondContact O-N 2.97Å; R380-H384 PolarHBondContact O-ND1 3.46Å; V381-H384 PolarHBondContact O-N 3.01Å; S382-H384 PolarHBondContact O-N 3.25Å; H384-A387 PolarHBondContact O-N 2.86Å; H384-M388 WeakPolarHBondContact O-CG 3.43Å; H384-M388 PolarHBondContact O-N 3.28Å
385F92.9Very high92Very high0 Ų056.1 Ų56.10%026%0.264CS..Hα-helixtrans-58.4-54.4173.6175.9-82.7000111.1P182 Y183 V186 V381 S382 A387 M388 F389 F408 E412P182-F385 HydrophobicContact CB-CB 4.34Å; Y183-F385 AromaticContact CD1-CD2 3.5Å; Y183-F385 HydrophobicContact CD1-CD2 3.5Å; Y183-F385 AromaticContact CD1-CE2 3.38Å; Y183-F385 HydrophobicContact CD1-CE2 3.38Å; Y183-F385 HydrophobicContact CD1-CG 4.47Å; Y183-F385 HydrophobicContact CD1-CZ 4.21Å; Y183-F385 HydrophobicContact CE1-CD2 4.02Å; Y183-F385 AromaticContact CE1-CE2 3.89Å; Y183-F385 HydrophobicContact CE1-CE2 3.89Å; Y183-F385 HydrophobicContact CE1-CZ 4.33Å; Y183-F385 HydrophobicContact CG-CD2 4.39Å; Y183-F385 HydrophobicContact CG-CE2 4.47Å; V186-F385 HydrophobicContact CB-CD2 3.6Å; V186-F385 HydrophobicContact CB-CE2 3.81Å; V186-F385 HydrophobicContact CB-CG 4.28Å; V186-F385 HydrophobicContact CG1-CD2 3.84Å; V186-F385 HydrophobicContact CG1-CE2 3.62Å; V186-F385 HydrophobicContact CG1-CG 4.4Å; V186-F385 HydrophobicContact CG1-CZ 4.1Å; V186-F385 HydrophobicContact CG2-CB 3.71Å; V186-F385 HydrophobicContact CG2-CD2 3.49Å; V186-F385 VanDerWaalsContact CG2-CD2 3.49Å; V186-F385 HydrophobicContact CG2-CE2 4.18Å; V186-F385 HydrophobicContact CG2-CG 3.71Å; V381-F385 WeakPolarHBondContact O-CB 3.1Å; V381-F385 PolarHBondContact O-N 3.48Å; S382-F385 WeakPolarHBondContact O-CB 3.32Å; S382-F385 PolarHBondContact O-N 3.15Å; F385-A387 VanDerWaalsContact C-N 3.26Å; F385-A387 PolarHBondContact O-N 3.49Å; F385-M388 PolarHBondContact O-N 2.99Å; F385-F389 HydrophobicContact CD1-CB 4.24Å; F385-F389 HydrophobicContact CE1-CB 3.94Å; F385-F389 HydrophobicContact CE1-CD1 4.22Å; F385-F389 HydrophobicContact CE1-CG 4.06Å; F385-F389 HydrophobicContact CZ-CB 4.47Å; F385-F389 HydrophobicContact CZ-CG 4.37Å; F385-F389 WeakPolarHBondContact O-CB 3.08Å; F385-F389 PolarHBondContact O-N 3.42Å; F385-F408 AromaticContact CE2-CD1 3.84Å; F385-F408 HydrophobicContact CE2-CD1 3.84Å; F385-F408 HydrophobicContact CZ-CB 4Å; F385-F408 AromaticContact CZ-CD1 3.86Å; F385-F408 HydrophobicContact CZ-CD1 3.86Å; F385-F408 HydrophobicContact CZ-CG 4.45Å; F385-F408 WeakPolarHBondContact CZ-O 3.13Å; F385-E412 HydrophobicContact CD1-CB 4.21Å; F385-E412 HydrophobicContact CD1-CG 4.02Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.39Å; F385-E412 HydrophobicContact CE1-CB 3.66Å; F385-E412 HydrophobicContact CE1-CG 3.89Å; F385-E412 HydrophobicContact CZ-CB 4.25Å
386S93.2Very high92Very high17 Ų1760.7 Ų60.712%0.11929%0.286CS..Hα-helixtrans-59.9-38.4-178.4-50.80000111.5S382 M388 K390 E412S382-S386 PolarHBondContact O-N 3.07Å; S382-S386 PolarHBondContact O-OG 3.01Å; S386-M388 VanDerWaalsContact C-N 3.31Å; S386-M388 PolarHBondContact O-N 3.35Å; S386-K390 VanDerWaalsContact O-CB 3.27Å; S386-K390 WeakPolarHBondContact O-CB 3.3Å; S386-K390 WeakPolarHBondContact O-CD 3.43Å; S386-K390 WeakPolarHBondContact O-CG 3.4Å; S386-K390 PolarHBondContact O-N 3.42Å; S386-E412 WeakPolarHBondContact CB-OE1 3.4Å; S386-E412 PolarHBondContact OG-OE1 2.82Å
387A91.8Very high92Very high53 Ų5363.2 Ų63.244%0.43829%0.293SS..Hα-helixtrans-62.2-37.8177.700000112.5E383 H384 F385E383-A387 WeakPolarHBondContact O-CB 3.33Å; E383-A387 PolarHBondContact O-N 3.21Å; H384-A387 PolarHBondContact O-N 2.86Å; F385-A387 VanDerWaalsContact C-N 3.26Å; F385-A387 PolarHBondContact O-N 3.49Å
388M91.6Very high92.2Very high32 Ų3263.3 Ų63.316%0.15829%0.293CS..Hα-helixtrans-78-44.8175.8-67.5-160.2-65.400112.6V179 P182 Y183 H384 F385 S386 K390 R391 K392 A393V179-M388 VanDerWaalsContact O-CE 3.31Å; V179-M388 WeakPolarHBondContact O-CE 3.48Å; P182-M388 HydrophobicContact CB-CE 3.7Å; P182-M388 HydrophobicContact CG-CE 3.69Å; Y183-M388 HydrophobicContact CD2-CE 3.62Å; Y183-M388 HydrophobicContact CD2-SD 4.49Å; Y183-M388 HydrophobicContact CE2-CB 3.95Å; Y183-M388 HydrophobicContact CE2-CE 3.68Å; Y183-M388 HydrophobicContact CE2-SD 4.12Å; Y183-M388 HydrophobicContact CG-CE 4.18Å; Y183-M388 VanDerWaalsContact OH-C 3.22Å; Y183-M388 WeakPolarHBondContact OH-CB 3.29Å; Y183-M388 PolarHBondContact OH-O 3.48Å; H384-M388 WeakPolarHBondContact O-CG 3.43Å; H384-M388 PolarHBondContact O-N 3.28Å; F385-M388 PolarHBondContact O-N 2.99Å; S386-M388 VanDerWaalsContact C-N 3.31Å; S386-M388 PolarHBondContact O-N 3.35Å; M388-K390 PolarHBondContact O-N 3.31Å; M388-R391 CarbonylContact O-C 3.56Å; M388-R391 PolarHBondContact O-N 3.35Å; M388-K392 PolarHBondContact O-N 3.08Å; M388-K392 VanDerWaalsContact O-N 3.16Å; M388-A393 PolarHBondContact O-N 3.48Å
389F92.6Very high92.2Very high41 Ų4165.7 Ų65.718%0.1831%0.308CS..Hα-helixtrans-66.7-37.4-175-169.5-119.4000112Y183 F385 R391 K392 V395 I405 F408Y183-F389 HydrophobicContact CE1-CB 4.04Å; Y183-F389 HydrophobicContact CE1-CD2 4.06Å; Y183-F389 HydrophobicContact CE1-CG 4.5Å; Y183-F389 WeakPolarHBondContact OH-CA 3.19Å; Y183-F389 PolarHBondContact OH-N 3.43Å; F385-F389 HydrophobicContact CD1-CB 4.24Å; F385-F389 HydrophobicContact CE1-CB 3.94Å; F385-F389 HydrophobicContact CE1-CD1 4.22Å; F385-F389 HydrophobicContact CE1-CG 4.06Å; F385-F389 HydrophobicContact CZ-CB 4.47Å; F385-F389 HydrophobicContact CZ-CG 4.37Å; F385-F389 WeakPolarHBondContact O-CB 3.08Å; F385-F389 PolarHBondContact O-N 3.42Å; F389-R391 PolarHBondContact O-N 3.34Å; F389-R391 VanDerWaalsContact O-N 3.13Å; F389-K392 WeakPolarHBondContact O-CA 3.44Å; F389-K392 PolarHBondContact O-N 3.01Å; F389-V395 HydrophobicContact CD2-CG2 4.1Å; F389-V395 HydrophobicContact CE2-CG2 4.32Å; F389-I405 HydrophobicContact CE2-CG2 4.32Å; F389-I405 HydrophobicContact CZ-CG2 4.07Å; F389-F408 HydrophobicContact CD2-CB 4.21Å; F389-F408 HydrophobicContact CD2-CD1 4.5Å; F389-F408 HydrophobicContact CD2-CG 4.4Å; F389-F408 HydrophobicContact CE1-CB 4.44Å; F389-F408 HydrophobicContact CE2-CB 3.55Å; F389-F408 HydrophobicContact CE2-CD1 4.4Å; F389-F408 HydrophobicContact CE2-CD2 4.37Å; F389-F408 AromaticContact CE2-CG 3.87Å; F389-F408 HydrophobicContact CE2-CG 3.87Å; F389-F408 HydrophobicContact CZ-CB 3.69Å; F389-F408 HydrophobicContact CZ-CG 4.47Å
390K92.5Very high92.2Very high178 Ų17867.2 Ų67.277%0.77432%0.322SS*.THydrogen-bonded Turntrans-55.7-30.7171.6-77.8171.9-175.5173.10113.1S386 M388S386-K390 VanDerWaalsContact O-CB 3.27Å; S386-K390 WeakPolarHBondContact O-CB 3.3Å; S386-K390 WeakPolarHBondContact O-CD 3.43Å; S386-K390 WeakPolarHBondContact O-CG 3.4Å; S386-K390 PolarHBondContact O-N 3.42Å; M388-K390 PolarHBondContact O-N 3.31Å
391R93.3Very high92.3Very high211 Ų21167.5 Ų67.580%0.79633%0.325SS*.THydrogen-bonded Turntrans-93.7-2.7177.4-61.9177.5-176.5173.12.8112.8M388 F389 A393M388-R391 CarbonylContact O-C 3.56Å; M388-R391 PolarHBondContact O-N 3.35Å; F389-R391 PolarHBondContact O-N 3.34Å; F389-R391 VanDerWaalsContact O-N 3.13Å; R391-A393 PolarHBondContact O-N 3.04Å; R391-A393 VanDerWaalsContact O-N 3.14Å
392K91.1Very high92.2Very high143 Ų14370.3 Ų70.362%0.62236%0.356SS*.THydrogen-bonded Turntrans49.433.4-171.4-58.7-172.5176-170.20112.7M388 F389 F394 V395M388-K392 PolarHBondContact O-N 3.08Å; M388-K392 VanDerWaalsContact O-N 3.16Å; F389-K392 WeakPolarHBondContact O-CA 3.44Å; F389-K392 PolarHBondContact O-N 3.01Å; K392-F394 PolarHBondContact O-N 2.84Å; K392-V395 HydrophobicContact CB-CG2 4.22Å
393A91Very high92.3Very high30 Ų3070.4 Ų70.425%0.24836%0.356CS..THydrogen-bonded Turntrans-68.5131.7-179.900000109.4Y183 M388 R391 V395Y183-A393 VanDerWaalsContact CE2-O 3.25Å; Y183-A393 WeakPolarHBondContact CE2-O 3.33Å; Y183-A393 PolarHBondContact OH-O 3.02Å; M388-A393 PolarHBondContact O-N 3.48Å; R391-A393 PolarHBondContact O-N 3.04Å; R391-A393 VanDerWaalsContact O-N 3.14Å; A393-V395 PolarHBondContact O-N 3.14Å
394F92.5Very high92.4Very high73 Ų7367.8 Ų67.832%0.3235%0.346SS..THydrogen-bonded Turntrans593.7177.9-54.2-75.2000117.1V179 V180 K392 H396 W397V179-F394 HydrophobicContact CG2-CD2 4.12Å; V179-F394 HydrophobicContact CG2-CE2 3.6Å; V179-F394 HydrophobicContact CG2-CZ 4Å; V180-F394 HydrophobicContact CG1-CB 3.84Å; V180-F394 HydrophobicContact CG1-CD2 4.12Å; V180-F394 HydrophobicContact CG1-CG 3.94Å; K392-F394 PolarHBondContact O-N 2.84Å; F394-H396 PolarHBondContact O-N 2.89Å; F394-W397 HydrophobicContact CD1-CD2 4.21Å; F394-W397 AromaticContact CD1-CE2 3.94Å; F394-W397 HydrophobicContact CD1-CE3 4.28Å; F394-W397 AromaticContact CD1-CH2 3.87Å; F394-W397 HydrophobicContact CD1-CH2 3.87Å; F394-W397 AromaticContact CD1-CZ2 3.77Å; F394-W397 HydrophobicContact CD1-CZ2 3.77Å; F394-W397 HydrophobicContact CD1-CZ3 4.13Å; F394-W397 HydrophobicContact CE1-CH2 4.05Å; F394-W397 HydrophobicContact CE1-CZ2 4.02Å; F394-W397 WeakPolarHBondContact O-CB 3.5Å; F394-W397 PolarHBondContact O-N 3.45Å; F394-W397 VanDerWaalsContact O-N 3.07Å
395V92.3Very high92.4Very high10 Ų1067.2 Ų67.26%0.06135%0.346CS..THydrogen-bonded Turntrans-57-36.6179.4175.80000112F389 K392 A393 W397 Y398 T399 I405 F408F389-V395 HydrophobicContact CD2-CG2 4.1Å; F389-V395 HydrophobicContact CE2-CG2 4.32Å; K392-V395 HydrophobicContact CB-CG2 4.22Å; A393-V395 PolarHBondContact O-N 3.14Å; V395-W397 PolarHBondContact O-N 2.68Å; V395-W397 VanDerWaalsContact O-N 3.11Å; V395-Y398 PolarHBondContact O-N 2.88Å; V395-T399 HydrophobicContact CG1-CG2 3.87Å; V395-T399 PolarHBondContact O-N 3.27Å; V395-T399 VanDerWaalsContact O-N 3.13Å; V395-I405 HydrophobicContact CG1-CG1 4.3Å; V395-F408 HydrophobicContact CG1-CE2 4.48Å
396H92.4Very high92.4Very high115 Ų11572.1 Ų72.153%0.53237%0.372SS..Hα-helixtrans-58.4-24.7179.370.5-72.9000114.5F394 Y398 T399 S400F394-H396 PolarHBondContact O-N 2.89Å; H396-Y398 VanDerWaalsContact C-N 3.29Å; H396-T399 WeakPolarHBondContact CA-OG1 3.42Å; H396-T399 PolarHBondContact O-OG1 3.32Å; H396-S400 VanDerWaalsContact O-CB 3.24Å; H396-S400 WeakPolarHBondContact O-CB 3.43Å; H396-S400 PolarHBondContact O-N 3.1Å; H396-S400 VanDerWaalsContact O-N 3.09Å; H396-S400 PolarHBondContact O-OG 2.89Å; H396-S400 VanDerWaalsContact O-OG 3.08Å
397W92.9Very high92.4Very high106 Ų10673.6 Ų73.640%0.40238%0.377SS..Hα-helixtrans-70-27.7175.2-67.7-1.2000112.5N100 V180 F394 V395 S400 E401N100-W397 PolarHBondContact ND2-O 2.97Å; V180-W397 HydrophobicContact CG1-CE3 4.43Å; V180-W397 HydrophobicContact CG1-CZ3 4.32Å; F394-W397 HydrophobicContact CD1-CD2 4.21Å; F394-W397 AromaticContact CD1-CE2 3.94Å; F394-W397 HydrophobicContact CD1-CE3 4.28Å; F394-W397 AromaticContact CD1-CH2 3.87Å; F394-W397 HydrophobicContact CD1-CH2 3.87Å; F394-W397 AromaticContact CD1-CZ2 3.77Å; F394-W397 HydrophobicContact CD1-CZ2 3.77Å; F394-W397 HydrophobicContact CD1-CZ3 4.13Å; F394-W397 HydrophobicContact CE1-CH2 4.05Å; F394-W397 HydrophobicContact CE1-CZ2 4.02Å; F394-W397 WeakPolarHBondContact O-CB 3.5Å; F394-W397 PolarHBondContact O-N 3.45Å; F394-W397 VanDerWaalsContact O-N 3.07Å; V395-W397 PolarHBondContact O-N 2.68Å; V395-W397 VanDerWaalsContact O-N 3.11Å; W397-S400 PolarHBondContact O-OG 3.36Å; W397-S400 VanDerWaalsContact O-OG 3.04Å; W397-E401 WeakPolarHBondContact O-CG 3.49Å
398Y94.9Very high92.4Very high1 Ų171.1 Ų71.10%0.00436%0.356CS..Hα-helixtrans-89-43.3180-62.5-101.4000110.3N100 W101 A102 Y183 N184 L187 V395 H396 S400 E401 M403 F408N100-Y398 WeakPolarHBondContact OD1-CD1 3.41Å; W101-Y398 HydrophobicContact CB-CE1 4.09Å; A102-Y398 HydrophobicContact CB-CD1 3.89Å; A102-Y398 HydrophobicContact CB-CG 4.42Å; Y183-Y398 WeakPolarHBondContact CB-OH 3.36Å; Y183-Y398 HydrophobicContact CD2-CE2 4.19Å; Y183-Y398 HydrophobicContact CG-CE2 4.42Å; N184-Y398 PolarHBondContact OD1-OH 3.41Å; L187-Y398 HydrophobicContact CD1-CD1 4.29Å; L187-Y398 HydrophobicContact CD1-CE1 4.27Å; V395-Y398 PolarHBondContact O-N 2.88Å; H396-Y398 VanDerWaalsContact C-N 3.29Å; Y398-S400 VanDerWaalsContact C-N 3.25Å; Y398-S400 PolarHBondContact O-N 3.33Å; Y398-E401 PolarHBondContact O-N 3.05Å; Y398-E401 VanDerWaalsContact O-N 3.08Å; Y398-M403 HydrophobicContact CD1-SD 4.23Å; Y398-M403 WeakPolarHBondContact O-CB 3.39Å; Y398-M403 PolarHBondContact O-N 3.39Å; Y398-F408 HydrophobicContact CD1-CE1 4.45Å; Y398-F408 AromaticContact CD1-CZ 3.88Å; Y398-F408 HydrophobicContact CD1-CZ 3.88Å; Y398-F408 AromaticContact CD2-CZ 3.97Å; Y398-F408 HydrophobicContact CD2-CZ 3.97Å; Y398-F408 HydrophobicContact CG-CE1 4.37Å; Y398-F408 HydrophobicContact CG-CE2 4.44Å; Y398-F408 AromaticContact CG-CZ 3.54Å; Y398-F408 HydrophobicContact CG-CZ 3.54Å
399T93.7Very high92.5Very high51 Ų5171 Ų7131%0.31336%0.363SS..Hα-helixtrans-68-26.4178.762.30000112.7V395 H396 E401 G402 M403 I405V395-T399 HydrophobicContact CG1-CG2 3.87Å; V395-T399 PolarHBondContact O-N 3.27Å; V395-T399 VanDerWaalsContact O-N 3.13Å; H396-T399 WeakPolarHBondContact CA-OG1 3.42Å; H396-T399 PolarHBondContact O-OG1 3.32Å; T399-E401 PolarHBondContact O-N 2.99Å; T399-G402 PolarHBondContact O-N 3.28Å; T399-M403 WeakPolarHBondContact CA-O 3.34Å; T399-I405 HydrophobicContact CG2-CD1 4.29Å; T399-I405 HydrophobicContact CG2-CG1 3.59Å
400S92.6Very high92.5Very high83 Ų8374.7 Ų74.758%0.5838%0.381SS*.THydrogen-bonded Turntrans-66-23.4173.759.60000113H396 W397 Y398 G402H396-S400 VanDerWaalsContact O-CB 3.24Å; H396-S400 WeakPolarHBondContact O-CB 3.43Å; H396-S400 PolarHBondContact O-N 3.1Å; H396-S400 VanDerWaalsContact O-N 3.09Å; H396-S400 PolarHBondContact O-OG 2.89Å; H396-S400 VanDerWaalsContact O-OG 3.08Å; W397-S400 PolarHBondContact O-OG 3.36Å; W397-S400 VanDerWaalsContact O-OG 3.04Å; Y398-S400 VanDerWaalsContact C-N 3.25Å; Y398-S400 PolarHBondContact O-N 3.33Å; S400-G402 VanDerWaalsContact C-N 3.32Å
401E92.6Very high92.6Very high44 Ų4466.3 Ų66.321%0.20635%0.345CS..THydrogen-bonded Turntrans-91.55.8178.2-53.4-62.5142.600112.2A102 K103 T107 W397 Y398 T399A102-E401 HydrophobicContact CB-CB 3.88Å; A102-E401 HydrophobicContact CB-CG 4.3Å; K103-E401 VanDerWaalsContact CE-CD 3.44Å; K103-E401 WeakPolarHBondContact CE-OE1 3.44Å; K103-E401 VanDerWaalsContact CG-CD 3.44Å; K103-E401 HydrophobicContact CG-CG 3.68Å; K103-E401 WeakPolarHBondContact CG-OE2 3.5Å; K103-E401 IonicContact NZ-OE1 2.84Å; T107-E401 HydrophobicContact CG2-CB 4.17Å; T107-E401 VanDerWaalsContact CG2-OE2 3.3Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.41Å; T107-E401 PolarHBondContact OG1-OE2 3.21Å; W397-E401 WeakPolarHBondContact O-CG 3.49Å; Y398-E401 PolarHBondContact O-N 3.05Å; Y398-E401 VanDerWaalsContact O-N 3.08Å; T399-E401 PolarHBondContact O-N 2.99Å
402G89Confident92.7Very high66 Ų6657.9 Ų57.968%0.6832%0.315SS*.THydrogen-bonded Turntrans990.5175.300000115.8T399 S400T399-G402 PolarHBondContact O-N 3.28Å; S400-G402 VanDerWaalsContact C-N 3.32Å
403M93.8Very high92.8Very high5 Ų554 Ų543%0.02531%0.305CS..  trans-72.5135.1177.4-172.3-179.2172.100111.9W101 A102 Y106 L187 Y398 T399 E407 F408W101-M403 HydrophobicContact CE3-SD 4.44Å; W101-M403 HydrophobicContact CZ3-SD 4.36Å; A102-M403 HydrophobicContact CB-CB 4.32Å; A102-M403 HydrophobicContact CB-SD 4.35Å; Y106-M403 HydrophobicContact CD2-CB 4.3Å; Y106-M403 HydrophobicContact CE2-CB 4Å; Y106-M403 HydrophobicContact CE2-CG 4.03Å; L187-M403 HydrophobicContact CD1-CE 3.67Å; L187-M403 HydrophobicContact CD1-SD 4.01Å; L187-M403 HydrophobicContact CD2-CE 3.38Å; L187-M403 HydrophobicContact CG-CE 4.17Å; Y398-M403 HydrophobicContact CD1-SD 4.23Å; Y398-M403 WeakPolarHBondContact O-CB 3.39Å; Y398-M403 PolarHBondContact O-N 3.39Å; T399-M403 WeakPolarHBondContact CA-O 3.34Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.37Å; M403-E407 WeakPolarHBondContact CG-OE2 3.34Å; M403-F408 HydrophobicContact CE-CD1 4.31Å; M403-F408 HydrophobicContact CE-CD2 3.58Å; M403-F408 HydrophobicContact CE-CE1 4.15Å; M403-F408 HydrophobicContact CE-CE2 3.4Å; M403-F408 HydrophobicContact CE-CG 4.04Å; M403-F408 HydrophobicContact CE-CZ 3.7Å; M403-F408 HydrophobicContact CG-CE2 4.27Å; M403-F408 HydrophobicContact SD-CD2 4.3Å; M403-F408 HydrophobicContact SD-CE2 3.52Å; M403-F408 VanDerWaalsContact SD-CE2 3.52Å; M403-F408 HydrophobicContact SD-CZ 3.67Å
404D92.9Very high93Very high82 Ų8253.4 Ų53.444%0.43930%0.298SS..  trans-77.9146.7173.7-168.811000111.3N406 E407D404-N406 PolarHBondContact O-N 3.41Å; D404-N406 PolarHBondContact OD2-ND2 2.98Å; D404-E407 HydrophobicContact CB-CG 4.36Å; D404-E407 PolarHBondContact N-OE1 3.3Å; D404-E407 WeakPolarHBondContact O-CB 3.33Å; D404-E407 PolarHBondContact O-N 3.44Å
405I90.7Very high93Very high71 Ų7150 Ų5036%0.36428%0.283SS..Hα-helixtrans-63.6-29.4176.2-62.7174.3000110.6F389 V395 T399 E407 F408F389-I405 HydrophobicContact CE2-CG2 4.32Å; F389-I405 HydrophobicContact CZ-CG2 4.07Å; V395-I405 HydrophobicContact CG1-CG1 4.3Å; T399-I405 HydrophobicContact CG2-CD1 4.29Å; T399-I405 HydrophobicContact CG2-CG1 3.59Å; I405-E407 VanDerWaalsContact C-N 3.29Å; I405-E407 PolarHBondContact O-N 2.76Å; I405-F408 WeakPolarHBondContact O-CB 3.05Å; I405-F408 PolarHBondContact O-N 3.26Å
406N92.2Very high93.1Very high102 Ų10253.3 Ų53.355%0.54530%0.298SS..Hα-helixtrans-65-32.2179.2-62.4-42.4000112.6D404 F408 G409 E410D404-N406 PolarHBondContact O-N 3.41Å; D404-N406 PolarHBondContact OD2-ND2 2.98Å; N406-F408 PolarHBondContact O-N 2.96Å; N406-G409 WeakPolarHBondContact O-CA 3.43Å; N406-G409 PolarHBondContact O-N 3.21Å; N406-E410 PolarHBondContact O-N 3.3Å
407E93.2Very high93.2Very high49 Ų4951.6 Ų51.623%0.22929%0.292CS..Hα-helixtrans-59.3-32.6177.5-68174.2-131.100112.1Y106 M403 D404 I405 E410 A411Y106-E407 PolarHBondContact OH-OE2 2.8Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.37Å; M403-E407 WeakPolarHBondContact CG-OE2 3.34Å; D404-E407 HydrophobicContact CB-CG 4.36Å; D404-E407 PolarHBondContact N-OE1 3.3Å; D404-E407 WeakPolarHBondContact O-CB 3.33Å; D404-E407 PolarHBondContact O-N 3.44Å; I405-E407 VanDerWaalsContact C-N 3.29Å; I405-E407 PolarHBondContact O-N 2.76Å; E407-E410 PolarHBondContact O-N 3.42Å; E407-A411 WeakPolarHBondContact O-CB 3.44Å; E407-A411 PolarHBondContact O-N 3.42Å
408F93.3Very high93.3Very high0 Ų046.5 Ų46.50%027%0.273CS..Hα-helixtrans-63.1-43.1173.4-74.8-86.6000112.1Y183 L187 F385 F389 V395 Y398 M403 I405 N406 E412Y183-F408 AromaticContact CD1-CD1 3.82Å; Y183-F408 HydrophobicContact CD1-CD1 3.82Å; Y183-F408 AromaticContact CD1-CE1 3.6Å; Y183-F408 HydrophobicContact CD1-CE1 3.6Å; Y183-F408 HydrophobicContact CE1-CD1 4.15Å; Y183-F408 HydrophobicContact CE1-CE1 4.13Å; Y183-F408 HydrophobicContact CG-CE1 4.18Å; L187-F408 HydrophobicContact CD1-CE1 3.99Å; L187-F408 HydrophobicContact CD1-CZ 4.36Å; L187-F408 HydrophobicContact CD2-CD1 4.48Å; F385-F408 AromaticContact CE2-CD1 3.84Å; F385-F408 HydrophobicContact CE2-CD1 3.84Å; F385-F408 HydrophobicContact CZ-CB 4Å; F385-F408 AromaticContact CZ-CD1 3.86Å; F385-F408 HydrophobicContact CZ-CD1 3.86Å; F385-F408 HydrophobicContact CZ-CG 4.45Å; F385-F408 WeakPolarHBondContact CZ-O 3.13Å; F389-F408 HydrophobicContact CD2-CB 4.21Å; F389-F408 HydrophobicContact CD2-CD1 4.5Å; F389-F408 HydrophobicContact CD2-CG 4.4Å; F389-F408 HydrophobicContact CE1-CB 4.44Å; F389-F408 HydrophobicContact CE2-CB 3.55Å; F389-F408 HydrophobicContact CE2-CD1 4.4Å; F389-F408 HydrophobicContact CE2-CD2 4.37Å; F389-F408 AromaticContact CE2-CG 3.87Å; F389-F408 HydrophobicContact CE2-CG 3.87Å; F389-F408 HydrophobicContact CZ-CB 3.69Å; F389-F408 HydrophobicContact CZ-CG 4.47Å; V395-F408 HydrophobicContact CG1-CE2 4.48Å; Y398-F408 HydrophobicContact CD1-CE1 4.45Å; Y398-F408 AromaticContact CD1-CZ 3.88Å; Y398-F408 HydrophobicContact CD1-CZ 3.88Å; Y398-F408 AromaticContact CD2-CZ 3.97Å; Y398-F408 HydrophobicContact CD2-CZ 3.97Å; Y398-F408 HydrophobicContact CG-CE1 4.37Å; Y398-F408 HydrophobicContact CG-CE2 4.44Å; Y398-F408 AromaticContact CG-CZ 3.54Å; Y398-F408 HydrophobicContact CG-CZ 3.54Å; M403-F408 HydrophobicContact CE-CD1 4.31Å; M403-F408 HydrophobicContact CE-CD2 3.58Å; M403-F408 HydrophobicContact CE-CE1 4.15Å; M403-F408 HydrophobicContact CE-CE2 3.4Å; M403-F408 HydrophobicContact CE-CG 4.04Å; M403-F408 HydrophobicContact CE-CZ 3.7Å; M403-F408 HydrophobicContact CG-CE2 4.27Å; M403-F408 HydrophobicContact SD-CD2 4.3Å; M403-F408 HydrophobicContact SD-CE2 3.52Å; M403-F408 VanDerWaalsContact SD-CE2 3.52Å; M403-F408 HydrophobicContact SD-CZ 3.67Å; I405-F408 WeakPolarHBondContact O-CB 3.05Å; I405-F408 PolarHBondContact O-N 3.26Å; N406-F408 PolarHBondContact O-N 2.96Å; F408-E412 WeakPolarHBondContact O-CB 2.98Å; F408-E412 PolarHBondContact O-N 2.97Å
409G92.3Very high93.2Very high30 Ų3047.1 Ų47.131%0.30928%0.277SS..Hα-helixtrans-68.7-38.1179.300000112.2N406 E412 S413N406-G409 WeakPolarHBondContact O-CA 3.43Å; N406-G409 PolarHBondContact O-N 3.21Å; G409-E412 PolarHBondContact O-N 3.41Å; G409-S413 WeakPolarHBondContact O-CB 3.43Å; G409-S413 PolarHBondContact O-N 2.81Å
410E94Very high93.2Very high119 Ų11948.3 Ų48.356%0.55629%0.287SS*.Hα-helixtrans-64.7-44.2175-69175.7-172.600111.6N406 E407 S413 N414N406-E410 PolarHBondContact O-N 3.3Å; E407-E410 PolarHBondContact O-N 3.42Å; E410-S413 PolarHBondContact O-N 2.79Å; E410-N414 WeakPolarHBondContact O-CB 3.42Å; E410-N414 PolarHBondContact O-N 3.31Å
411A94.5Very high93.3Very high1 Ų146.6 Ų46.61%0.00827%0.27CS..Hα-helixtrans-64.3-42.1176.600000112.4V186 L187 H190 E407 N414 I415V186-A411 HydrophobicContact CG1-CB 3.72Å; L187-A411 HydrophobicContact CD2-CB 3.77Å; H190-A411 HydrophobicContact CB-CB 3.86Å; E407-A411 WeakPolarHBondContact O-CB 3.44Å; E407-A411 PolarHBondContact O-N 3.42Å; A411-N414 PolarHBondContact O-N 3.03Å; A411-I415 WeakPolarHBondContact O-CG1 3.48Å; A411-I415 PolarHBondContact O-N 2.54Å
412E93.9Very high93.3Very high35 Ų3544.5 Ų44.516%0.16426%0.26CS..Hα-helixtrans-62.2-45.5174.4-173.8175.8-143.300111.5F385 S386 F408 G409 N414 I415 H416F385-E412 HydrophobicContact CD1-CB 4.21Å; F385-E412 HydrophobicContact CD1-CG 4.02Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.39Å; F385-E412 HydrophobicContact CE1-CB 3.66Å; F385-E412 HydrophobicContact CE1-CG 3.89Å; F385-E412 HydrophobicContact CZ-CB 4.25Å; S386-E412 WeakPolarHBondContact CB-OE1 3.4Å; S386-E412 PolarHBondContact OG-OE1 2.82Å; F408-E412 WeakPolarHBondContact O-CB 2.98Å; F408-E412 PolarHBondContact O-N 2.97Å; G409-E412 PolarHBondContact O-N 3.41Å; E412-N414 PolarHBondContact O-N 3.29Å; E412-I415 PolarHBondContact O-N 3.32Å; E412-H416 PolarHBondContact O-CD2 3.47Å; E412-H416 VanDerWaalsContact O-CD2 3.25Å; E412-H416 PolarHBondContact O-N 2.95Å
413S94.3Very high93.5Very high60 Ų6044.4 Ų44.442%0.4224%0.242SC..Hα-helixtrans-61.1-44.7177.5-166.60000111.9G409 E410 I415 H416 D417G409-S413 WeakPolarHBondContact O-CB 3.43Å; G409-S413 PolarHBondContact O-N 2.81Å; E410-S413 PolarHBondContact O-N 2.79Å; S413-I415 VanDerWaalsContact C-N 3.27Å; S413-I415 PolarHBondContact O-N 2.55Å; S413-H416 WeakPolarHBondContact O-CB 3.39Å; S413-H416 PolarHBondContact O-N 2.77Å; S413-H416 VanDerWaalsContact O-N 3.12Å; S413-D417 VanDerWaalsContact O-CG 3.27Å; S413-D417 PolarHBondContact O-N 3.28Å
414N94.4Very high93.4Very high19 Ų1950.5 Ų50.510%0.10227%0.271CS..Hα-helixtrans-62.1-35.7-179.5-167.815.2000112H190 R262 E410 A411 E412 D417 L418H190-N414 WeakPolarHBondContact ND1-CB 3.34Å; H190-N414 PolarHBondContact ND1-ND2 3.47Å; R262-N414 PolarHBondContact NH2-OD1 3.4Å; E410-N414 WeakPolarHBondContact O-CB 3.42Å; E410-N414 PolarHBondContact O-N 3.31Å; A411-N414 PolarHBondContact O-N 3.03Å; E412-N414 PolarHBondContact O-N 3.29Å; N414-D417 PolarHBondContact O-N 3.26Å; N414-L418 WeakPolarHBondContact O-CB 3.5Å; N414-L418 PolarHBondContact O-N 3.22Å
415I93.3Very high93.3Very high0 Ų048.4 Ų48.40%026%0.258CS..Hα-helixtrans-69.8-40.8175-68.1177.5000111.3V186 I189 F378 A411 E412 S413 D417 L418 V419V186-I415 HydrophobicContact CB-CD1 3.83Å; V186-I415 HydrophobicContact CG1-CD1 3.67Å; V186-I415 HydrophobicContact CG2-CD1 3.71Å; I189-I415 HydrophobicContact CB-CD1 4.08Å; I189-I415 HydrophobicContact CB-CG1 4.46Å; I189-I415 HydrophobicContact CD1-CD1 4.44Å; I189-I415 HydrophobicContact CG2-CD1 4.05Å; I189-I415 HydrophobicContact CG2-CG1 3.94Å; F378-I415 HydrophobicContact CB-CG2 4.11Å; A411-I415 WeakPolarHBondContact O-CG1 3.48Å; A411-I415 PolarHBondContact O-N 2.54Å; E412-I415 PolarHBondContact O-N 3.32Å; S413-I415 VanDerWaalsContact C-N 3.27Å; S413-I415 PolarHBondContact O-N 2.55Å; I415-D417 VanDerWaalsContact C-N 3.31Å; I415-D417 PolarHBondContact O-N 3.09Å; I415-L418 PolarHBondContact O-N 3.08Å; I415-V419 WeakPolarHBondContact O-CG2 3.31Å; I415-V419 PolarHBondContact O-N 3.08Å
416H93.9Very high93.2Very high80 Ų8046.4 Ų46.437%0.3725%0.247SC..Hα-helixtrans-60.8-42.6173.8-79.5-58.2000111.8S382 E412 S413 L418 V419 S420S382-H416 PolarHBondContact OG-CE1 3.12Å; S382-H416 PolarHBondContact OG-NE2 3.31Å; E412-H416 PolarHBondContact O-CD2 3.47Å; E412-H416 VanDerWaalsContact O-CD2 3.25Å; E412-H416 PolarHBondContact O-N 2.95Å; S413-H416 WeakPolarHBondContact O-CB 3.39Å; S413-H416 PolarHBondContact O-N 2.77Å; S413-H416 VanDerWaalsContact O-N 3.12Å; H416-L418 PolarHBondContact O-N 3.36Å; H416-V419 PolarHBondContact O-N 3.33Å; H416-S420 PolarHBondContact O-N 3.13Å; H416-S420 PolarHBondContact O-OG 2.87Å
417D95Very high93Very high79 Ų7946.5 Ų46.542%0.42225%0.247SC..Hα-helixtrans-61.2-44.2175.4-64.9-24.3000111.1S413 N414 I415 V419 S420 E421S413-D417 VanDerWaalsContact O-CG 3.27Å; S413-D417 PolarHBondContact O-N 3.28Å; N414-D417 PolarHBondContact O-N 3.26Å; I415-D417 VanDerWaalsContact C-N 3.31Å; I415-D417 PolarHBondContact O-N 3.09Å; D417-V419 PolarHBondContact O-N 3.09Å; D417-S420 WeakPolarHBondContact O-CB 3.34Å; D417-S420 PolarHBondContact O-N 3.4Å; D417-E421 WeakPolarHBondContact O-CG 3.27Å; D417-E421 PolarHBondContact O-N 3.36Å
418L93.8Very high92.4Very high0 Ų045.9 Ų45.90%025%0.25CS..Hα-helixtrans-60.5-43.3175.6-178.970.6000112.1I193 R262 L263 F265 F378 N414 I415 H416 S420 E421 Y422I193-L418 HydrophobicContact CD1-CB 4.26Å; I193-L418 HydrophobicContact CD1-CD2 3.83Å; I193-L418 HydrophobicContact CD1-CG 4.49Å; I193-L418 HydrophobicContact CG1-CD2 4Å; R262-L418 HydrophobicContact CB-CD1 4.28Å; L263-L418 HydrophobicContact CD2-CD1 3.81Å; F265-L418 HydrophobicContact CD2-CD2 4.12Å; F265-L418 HydrophobicContact CE2-CD1 4.42Å; F265-L418 HydrophobicContact CE2-CD2 3.67Å; F265-L418 HydrophobicContact CZ-CD2 4.41Å; F378-L418 HydrophobicContact CD2-CD2 4.02Å; F378-L418 HydrophobicContact CE1-CD2 4.39Å; F378-L418 HydrophobicContact CE2-CD2 3.69Å; F378-L418 HydrophobicContact CZ-CD2 3.91Å; N414-L418 WeakPolarHBondContact O-CB 3.5Å; N414-L418 PolarHBondContact O-N 3.22Å; I415-L418 PolarHBondContact O-N 3.08Å; H416-L418 PolarHBondContact O-N 3.36Å; L418-S420 VanDerWaalsContact C-N 3.34Å; L418-E421 PolarHBondContact O-N 3.04Å; L418-Y422 HydrophobicContact CD1-CD2 4.25Å; L418-Y422 HydrophobicContact CD1-CE2 3.84Å; L418-Y422 HydrophobicContact CD2-CE2 4.24Å; L418-Y422 HydrophobicContact CG-CD2 4.02Å; L418-Y422 HydrophobicContact CG-CE2 3.85Å; L418-Y422 VanDerWaalsContact O-CD2 3.28Å; L418-Y422 WeakPolarHBondContact O-CD2 3.36Å; L418-Y422 PolarHBondContact O-N 3.08Å
419V94.1Very high91.2Very high13 Ų1353 Ų538%0.07928%0.281CS..Hα-helixtrans-62.3-44.2175.91670000110.5Q375 F378 I415 H416 D417 E421 Y422 Q423Q375-V419 HydrophobicContact CB-CG1 4.33Å; Q375-V419 HydrophobicContact CB-CG2 4.48Å; F378-V419 HydrophobicContact CB-CG2 3.63Å; I415-V419 WeakPolarHBondContact O-CG2 3.31Å; I415-V419 PolarHBondContact O-N 3.08Å; H416-V419 PolarHBondContact O-N 3.33Å; D417-V419 PolarHBondContact O-N 3.09Å; V419-E421 VanDerWaalsContact C-N 3.34Å; V419-E421 PolarHBondContact O-N 3.25Å; V419-Y422 PolarHBondContact O-N 3.26Å; V419-Q423 WeakPolarHBondContact O-CB 3.25Å; V419-Q423 PolarHBondContact O-N 3.19Å
420S93.9Very high89.3Confident76 Ų7654.1 Ų54.153%0.53129%0.287SS..Hα-helixtrans-61.8-39.5176.1-71.10000112.5H416 D417 L418 Q423 Q424H416-S420 PolarHBondContact O-N 3.13Å; H416-S420 PolarHBondContact O-OG 2.87Å; D417-S420 WeakPolarHBondContact O-CB 3.34Å; D417-S420 PolarHBondContact O-N 3.4Å; L418-S420 VanDerWaalsContact C-N 3.34Å; S420-Q423 PolarHBondContact O-N 3.49Å; S420-Q424 WeakPolarHBondContact O-CB 3.4Å; S420-Q424 PolarHBondContact O-N 2.95Å
421E93.4Very high87.2Confident48 Ų4851.3 Ų51.322%0.22429%0.29CS..Hα-helixtrans-60.8-49.3173.1-73.7-176.5173.300111.3R262 L263 D417 L418 V419 Q423 Q424 F425R262-E421 WeakPolarHBondContact CD-OE1 3.43Å; R262-E421 WeakPolarHBondContact CD-OE2 3.45Å; R262-E421 IonicContact CZ-OE1 2.89Å; R262-E421 IonicContact CZ-OE2 2.92Å; R262-E421 IonicContact NE-OE1 3.71Å; R262-E421 IonicContact NE-OE2 2.73Å; R262-E421 IonicContact NH1-OE1 3.75Å; R262-E421 PolarHBondContact NH1-OE1 2.81Å; R262-E421 IonicContact NH1-OE2 2.77Å; L263-E421 HydrophobicContact CD2-CB 4.17Å; D417-E421 WeakPolarHBondContact O-CG 3.27Å; D417-E421 PolarHBondContact O-N 3.36Å; L418-E421 PolarHBondContact O-N 3.04Å; V419-E421 VanDerWaalsContact C-N 3.34Å; V419-E421 PolarHBondContact O-N 3.25Å; E421-Q423 VanDerWaalsContact C-N 3.27Å; E421-Q423 PolarHBondContact O-N 3.05Å; E421-Q424 WeakPolarHBondContact O-CB 3.46Å; E421-Q424 PolarHBondContact O-N 3.2Å; E421-F425 WeakPolarHBondContact O-CD2 3.39Å; E421-F425 PolarHBondContact O-N 3.44Å; E421-F425 VanDerWaalsContact O-N 3.08Å
422Y93.9Very high84.7Confident0 Ų057.7 Ų57.70%032%0.324CS..Hα-helixtrans-58-40.5176.2-84.4-64.6000112.4L263 T372 I374 F378 L418 V419 Q426L263-Y422 HydrophobicContact CB-CE1 4.02Å; L263-Y422 HydrophobicContact CD1-CD1 4.29Å; L263-Y422 HydrophobicContact CD1-CE1 4.26Å; L263-Y422 HydrophobicContact CD2-CD1 3.97Å; L263-Y422 HydrophobicContact CD2-CD2 3.88Å; L263-Y422 HydrophobicContact CD2-CE1 3.77Å; L263-Y422 HydrophobicContact CD2-CE2 3.65Å; L263-Y422 HydrophobicContact CD2-CG 4.04Å; L263-Y422 HydrophobicContact CG-CE1 4.23Å; T372-Y422 HydrophobicContact CG2-CD1 4.28Å; T372-Y422 WeakPolarHBondContact CG2-O 3Å; I374-Y422 HydrophobicContact CG2-CD1 4.1Å; I374-Y422 HydrophobicContact CG2-CD2 4.09Å; I374-Y422 HydrophobicContact CG2-CE1 3.65Å; I374-Y422 HydrophobicContact CG2-CE2 3.67Å; I374-Y422 HydrophobicContact CG2-CG 4.29Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.43Å; F378-Y422 HydrophobicContact CD2-CE2 4.4Å; F378-Y422 HydrophobicContact CE2-CD2 4.44Å; F378-Y422 AromaticContact CE2-CE2 3.86Å; F378-Y422 HydrophobicContact CE2-CE2 3.86Å; L418-Y422 HydrophobicContact CD1-CD2 4.25Å; L418-Y422 HydrophobicContact CD1-CE2 3.84Å; L418-Y422 HydrophobicContact CD2-CE2 4.24Å; L418-Y422 HydrophobicContact CG-CD2 4.02Å; L418-Y422 HydrophobicContact CG-CE2 3.85Å; L418-Y422 VanDerWaalsContact O-CD2 3.28Å; L418-Y422 WeakPolarHBondContact O-CD2 3.36Å; L418-Y422 PolarHBondContact O-N 3.08Å; V419-Y422 PolarHBondContact O-N 3.26Å; Y422-Q426 WeakPolarHBondContact O-CB 3.15Å; Y422-Q426 PolarHBondContact O-N 3.11Å
423Q92.8Very high82.2Confident64 Ų6464.8 Ų64.830%0.29936%0.357SS..Hα-helixtrans-65.9-42.4177.2-171.858.550.600111.8V419 S420 E421 F425 Q426 D427V419-Q423 WeakPolarHBondContact O-CB 3.25Å; V419-Q423 PolarHBondContact O-N 3.19Å; S420-Q423 PolarHBondContact O-N 3.49Å; E421-Q423 VanDerWaalsContact C-N 3.27Å; E421-Q423 PolarHBondContact O-N 3.05Å; Q423-F425 PolarHBondContact O-N 3.07Å; Q423-Q426 WeakPolarHBondContact O-CB 3.24Å; Q423-Q426 PolarHBondContact O-N 3.18Å; Q423-Q426 VanDerWaalsContact O-N 3.17Å; Q423-D427 VanDerWaalsContact NE2-CG 3.31Å; Q423-D427 PolarHBondContact NE2-OD1 3.4Å; Q423-D427 PolarHBondContact NE2-OD2 3.02Å; Q423-D427 PolarHBondContact O-N 3.46Å
424Q92.5Very high79.6Confident133 Ų13370.2 Ų70.262%0.62138%0.376SS*.Hα-helixtrans-58.1-46.7176.7-175.2-1786.800111.5S420 E421 Q426 D427 A428S420-Q424 WeakPolarHBondContact O-CB 3.4Å; S420-Q424 PolarHBondContact O-N 2.95Å; E421-Q424 WeakPolarHBondContact O-CB 3.46Å; E421-Q424 PolarHBondContact O-N 3.2Å; Q424-Q426 VanDerWaalsContact C-N 3.32Å; Q424-Q426 PolarHBondContact O-N 3.47Å; Q424-D427 PolarHBondContact O-N 2.99Å; Q424-A428 WeakPolarHBondContact O-CB 3.44Å; Q424-A428 PolarHBondContact O-N 3.43Å
425F89.8Confident76.9Confident38 Ų3875 Ų7517%0.16740%0.401CS..Hα-helixtrans-73-23.8178.3-68-66.7000113.8F260 L263 L311 W344 E421 Q423F260-F425 HydrophobicContact CD1-CZ 4.15Å; F260-F425 HydrophobicContact CD2-CD1 4.43Å; F260-F425 HydrophobicContact CD2-CD2 4.44Å; F260-F425 AromaticContact CD2-CE1 3.98Å; F260-F425 HydrophobicContact CD2-CE1 3.98Å; F260-F425 AromaticContact CD2-CE2 3.99Å; F260-F425 HydrophobicContact CD2-CE2 3.99Å; F260-F425 AromaticContact CD2-CZ 3.74Å; F260-F425 HydrophobicContact CD2-CZ 3.74Å; F260-F425 HydrophobicContact CE1-CE1 4.04Å; F260-F425 AromaticContact CE1-CZ 3.93Å; F260-F425 HydrophobicContact CE1-CZ 3.93Å; F260-F425 AromaticContact CE2-CD1 3.66Å; F260-F425 HydrophobicContact CE2-CD1 3.66Å; F260-F425 HydrophobicContact CE2-CD2 4.43Å; F260-F425 AromaticContact CE2-CE1 3.22Å; F260-F425 HydrophobicContact CE2-CE1 3.22Å; F260-F425 HydrophobicContact CE2-CE2 4.07Å; F260-F425 HydrophobicContact CE2-CG 4.25Å; F260-F425 AromaticContact CE2-CZ 3.45Å; F260-F425 HydrophobicContact CE2-CZ 3.45Å; F260-F425 VanDerWaalsContact CE2-CZ 3.45Å; F260-F425 HydrophobicContact CG-CE2 4.39Å; F260-F425 HydrophobicContact CG-CZ 4.07Å; F260-F425 HydrophobicContact CZ-CD1 4.08Å; F260-F425 AromaticContact CZ-CE1 3.27Å; F260-F425 HydrophobicContact CZ-CE1 3.27Å; F260-F425 AromaticContact CZ-CZ 3.58Å; F260-F425 HydrophobicContact CZ-CZ 3.58Å; L263-F425 HydrophobicContact CD1-CD2 3.37Å; L263-F425 HydrophobicContact CD1-CE2 3.63Å; L263-F425 HydrophobicContact CD1-CG 4.29Å; L311-F425 HydrophobicContact CD2-CB 4.35Å; W344-F425 HydrophobicContact CH2-CD1 4.48Å; W344-F425 HydrophobicContact CZ2-CD1 4.23Å; E421-F425 WeakPolarHBondContact O-CD2 3.39Å; E421-F425 PolarHBondContact O-N 3.44Å; E421-F425 VanDerWaalsContact O-N 3.08Å; Q423-F425 PolarHBondContact O-N 3.07Å
426Q88.9Confident74.2Confident29 Ų2982.2 Ų82.214%0.13644%0.435CS..Hα-helixtrans-67.5-42172.4-174.2171.7-57.500111.3R307 R309 T372 Q375 Y422 Q423 Q424R307-Q426 PolarHBondContact O-NE2 3.27Å; R307-Q426 VanDerWaalsContact O-NE2 3.15Å; R309-Q426 WeakPolarHBondContact CD-O 3.49Å; R309-Q426 PolarHBondContact NH1-O 3.06Å; T372-Q426 HydrophobicContact CG2-CB 3.99Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.37Å; T372-Q426 PolarHBondContact OG1-OE1 2.96Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.11Å; Y422-Q426 WeakPolarHBondContact O-CB 3.15Å; Y422-Q426 PolarHBondContact O-N 3.11Å; Q423-Q426 WeakPolarHBondContact O-CB 3.24Å; Q423-Q426 PolarHBondContact O-N 3.18Å; Q423-Q426 VanDerWaalsContact O-N 3.17Å; Q424-Q426 VanDerWaalsContact C-N 3.32Å; Q424-Q426 PolarHBondContact O-N 3.47Å
427D88.2Confident71.5Confident104 Ų10486.2 Ų86.256%0.55645%0.454SS*.Hα-helixtrans-84.1-19.8-177.9-65.1-29.2000112.9Q423 Q424 K429Q423-D427 VanDerWaalsContact NE2-CG 3.31Å; Q423-D427 PolarHBondContact NE2-OD1 3.4Å; Q423-D427 PolarHBondContact NE2-OD2 3.02Å; Q423-D427 PolarHBondContact O-N 3.46Å; Q424-D427 PolarHBondContact O-N 2.99Å; D427-K429 PolarHBondContact O-N 3.26Å
428A80.5Confident68.9Low35 Ų3587.4 Ų87.429%0.28946%0.464SS..  trans-54.4121.6174.700000111.2R309 Q424R309-A428 PolarHBondContact NH1-O 3.14Å; Q424-A428 WeakPolarHBondContact O-CB 3.44Å; Q424-A428 PolarHBondContact O-N 3.43Å
429K67.2Low66.2Low150 Ų15093.6 Ų93.665%0.65249%0.494SS*.  trans-105.8145.5169.7-67.2-177.3-177174.60108.8D427 G431D427-K429 PolarHBondContact O-N 3.26Å; K429-G431 PolarHBondContact O-N 3.05Å; K429-G431 VanDerWaalsContact O-N 3.1Å
430A53.5Low63.5Low53 Ų53100.8 Ų100.844%0.43853%0.527SS..SBendtrans-65.4110171.600000108.9E343 W344E343-A430 HydrophobicContact CB-CB 4.32Å; W344-A430 HydrophobicContact CB-CB 4.16Å
431G49.3Very low60.9Low60 Ų60105.5 Ų105.562%0.61954%0.54SS*.SBendtrans71.790.4165.700000116.5K429K429-G431 PolarHBondContact O-N 3.05Å; K429-G431 VanDerWaalsContact O-N 3.1Å
432L41.3Very low58.5Low135 Ų135107.2 Ų107.271%0.70756%0.563SS**SBendtrans-140.4-1.1150.4-81177.5000113.4
433E41.1Very low56Low184 Ų184115.5 Ų115.586%0.8660%0.602SS**SBendtrans-103.1-9.9-177.6-68.8-175.5171.800114.1
434E40.4Very low53.6Low174 Ų174120.8 Ų120.881%0.81363%0.629SS**SBendtrans-100-7.7179.4-71.6-172.816400114.7
435D37.5Very low51.2Low120 Ų120123.2 Ų123.264%0.64264%0.637SS**SBendtrans-102-10.2-177.3-81.6-24.5000114.6M439D435-M439 WeakPolarHBondContact O-CE 3.47Å
436E37Very low48.8Very low152 Ų152127.6 Ų127.671%0.7167%0.67SS**Hα-helixtrans-83.3-29.1177.8-77.1-168.9165.500113.3V438E436-V438 PolarHBondContact O-N 3.46Å
437E37.6Very low46.7Very low163 Ų163135.3 Ų135.376%0.76271%0.706SS**Hα-helixtrans-75.9-22.3178.8-70.3-168.8164.200113.4
438V39.5Very low44.5Very low104 Ų104138 Ų13863%0.6372%0.72SS**Hα-helixtrans-87.5-19.7-179.4-172.90000112.5E436E436-V438 PolarHBondContact O-N 3.46Å
439M37.4Very low42.7Very low130 Ų130146.5 Ų146.564%0.6475%0.75SS**Hα-helixtrans-83.5-25.8177.1-79.8-167.5-72.200113.8D435 A442D435-M439 WeakPolarHBondContact O-CE 3.47Å; M439-A442 PolarHBondContact O-N 3.16Å
440E38.6Very low41.6Very low164 Ų164142.2 Ų142.277%0.76675%0.749SS**Hα-helixtrans-73.5-27.4176.8-79.1-164.7152.300113.3
441E38.9Very low40.8Very low175 Ų175152.7 Ų152.782%0.81879%0.788SS**SBendtrans-79.8-15.2175.8-74.9-165.2154.100113.9
442A42.6Very low40.4Very low85 Ų85157.4 Ų157.470%0.70280%0.797SS**SBendtrans-89.9-10.8-179.200000114.4M439M439-A442 PolarHBondContact O-N 3.16Å
443E42.2Very low40.4Very low173 Ų173158.5 Ų158.581%0.80880%0.801SS**  trans-98.7-0.2179.6-72.9-158.2151.600115.2K445E443-K445 PolarHBondContact O-N 2.86Å
444M41.3Very low40.3Very low176 Ų176157.1 Ų157.187%0.86780%0.798SS**  trans-76.586.8167.4-80.8-160.6-176.500111.3
445K41.6Very low40.3Very low184 Ų184156.1 Ų156.180%0.880%0.797SS**  trans-44.5139.9168.9-68176.8177.6173.50112.8E443 E447E443-K445 PolarHBondContact O-N 2.86Å; K445-E447 PolarHBondContact O-N 3.13Å
446P40Very low40.5Very low130 Ų130158.4 Ų158.484%0.84481%0.807SS**PPolyproline II helixtrans-74.2117.7159.727.8-27.2000109.7
447E45Very low40.7Very low191 Ų191158.8 Ų158.889%0.89381%0.813SS**PPolyproline II helixtrans-66.4138.5169.4-81.8-173.4154.800111.9K445K445-E447 PolarHBondContact O-N 3.13Å
448D40.9Very low41Very low159 Ų159158.5 Ų158.585%0.8582%0.817SS**PPolyproline II helixtrans-56.7128.6178-149-8.3000112.3
449K42.7Very low41.1Very low214 Ų214162.7 Ų162.793%0.9383%0.831SS**  trans-127.694.2162.4-82.7-168.3179.2178.90109.2
450G45Very low41.4Very low60 Ų60165.4 Ų165.462%0.61985%0.847SS**  trans-150.3101.5172.900000112.4
451H37.8Very low41.6Very low274 Ų274165.5 Ų165.5100%1.26986%0.855SS**  trans87.30165.6-65.1-5.7000119.2

Retrieved 451 of 451 residues in 529 ms (Link to these results)

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