A0A087Y1H2_POEFO Loading...

Isoleucine--tRNA ligase, cytoplasmic

Catalyzes the specific attachment of an amino acid to its cognate tRNA in a 2 step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end of the tRNA.

AlphaFold DB , UniProt , Accession A0A087Y1H2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,268 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
1M65.4Low88.4Confident195 Ų19581.2 Ų81.296%0.96145%0.445SS*.  01480-77-172.1-96.800107.3
2V87.1Confident89.1Confident9 Ų975.6 Ų75.66%0.05542%0.416CS..PPolyproline II helixtrans-70.2129-179.870.80000110.4V664 V667 Q668 N783 L787V2-V664 HydrophobicContact CG2-CG1 3.89Å; V2-V664 HydrophobicContact CG2-CG2 4.17Å; V2-V667 HydrophobicContact CG1-CG1 4.26Å; V2-Q668 HydrophobicContact CG1-CG 3.9Å; V2-Q668 PolarHBondContact O-NE2 3.4Å; V2-N783 WeakPolarHBondContact CG2-OD1 3.24Å; V2-L787 HydrophobicContact CB-CD1 4.29Å; V2-L787 HydrophobicContact CB-CD2 3.85Å; V2-L787 HydrophobicContact CB-CG 4.08Å; V2-L787 HydrophobicContact CG1-CD2 4.08Å; V2-L787 HydrophobicContact CG2-CD1 3.99Å; V2-L787 HydrophobicContact CG2-CD2 4.46Å; V2-L787 HydrophobicContact CG2-CG 4.19Å
3E89.6Confident89.7Confident133 Ų13373.7 Ų73.762%0.62141%0.411SS*.PPolyproline II helixtrans-87.1145.6-177.3-64.1-169172.300111.5V664 N783E3-V664 WeakPolarHBondContact O-CG1 3.43Å; E3-N783 PolarHBondContact N-OD1 3.34Å; E3-N783 PolarHBondContact O-ND2 3.2Å
4P89.1Confident90.2Very high102 Ų10271.8 Ų71.866%0.66240%0.398SS*.PPolyproline II helixtrans-65.4143.5174.328.4-33.6000111Q668P4-Q668 VanDerWaalsContact N-NE2 3.19Å
5V91.8Very high90.8Very high32 Ų3267.5 Ų67.519%0.19437%0.374CS..  trans-113.8136.4-174.1-133.80000110.6Y657 Y660 V664V5-Y657 HydrophobicContact CG1-CE2 4.04Å; V5-Y657 WeakPolarHBondContact CG1-OH 3.44Å; V5-Y660 HydrophobicContact CG1-CE1 3.81Å; V5-Y660 HydrophobicContact CG2-CE1 4.19Å; V5-V664 HydrophobicContact CG2-CB 3.82Å; V5-V664 HydrophobicContact CG2-CG1 3.65Å; V5-V664 HydrophobicContact CG2-CG2 3.89Å
6P90.2Very high91.2Very high73 Ų7370.1 Ų70.147%0.47438%0.382SS..  trans-65151.7-174.325.9-36.8000113.3S8 Y657 R661P6-S8 WeakPolarHBondContact CB-O 3.19Å; P6-Y657 PolarHBondContact O-OH 2.88Å; P6-R661 WeakPolarHBondContact O-CD 3.4Å
7E86.6Confident91.6Very high117 Ų11772.7 Ų72.755%0.54739%0.389SS..SBendtrans-67.5-38.6177.1-172.3174175.300112.5K999E7-K999 IonicContact OE1-NZ 3.16Å
8S87.6Confident92Very high100 Ų10069.4 Ų69.470%0.69937%0.371SS*.SBendtrans-106.8137.5171.751.70000110.2P6P6-S8 WeakPolarHBondContact CB-O 3.19Å
9I93.4Very high92.3Very high27 Ų2767.7 Ų67.714%0.13836%0.361CS..  trans-114.7137.1178-179.5163.6000110.1F11 E14 L654 Y657 M779I9-F11 HydrophobicContact CD1-CD1 3.88Å; I9-F11 HydrophobicContact CD1-CE1 3.73Å; I9-F11 HydrophobicContact CD1-CZ 4.35Å; I9-F11 HydrophobicContact CG1-CD1 4.2Å; I9-F11 HydrophobicContact CG1-CE1 4.23Å; I9-F11 HydrophobicContact CG1-CG 4.44Å; I9-F11 HydrophobicContact CG2-CD2 4.24Å; I9-F11 HydrophobicContact CG2-CE1 4.02Å; I9-F11 HydrophobicContact CG2-CE2 3.63Å; I9-F11 HydrophobicContact CG2-CZ 3.5Å; I9-F11 VanDerWaalsContact CG2-CZ 3.5Å; I9-E14 HydrophobicContact CD1-CG 4.21Å; I9-E14 HydrophobicContact CG1-CG 4.15Å; I9-L654 HydrophobicContact CG2-CD2 4.01Å; I9-Y657 HydrophobicContact CB-CD1 4.31Å; I9-Y657 HydrophobicContact CB-CE1 3.93Å; I9-Y657 HydrophobicContact CB-CE2 4.3Å; I9-Y657 HydrophobicContact CD1-CD2 3.66Å; I9-Y657 HydrophobicContact CD1-CE2 3.51Å; I9-Y657 HydrophobicContact CD1-CG 4.29Å; I9-Y657 HydrophobicContact CG1-CE2 4.44Å; I9-Y657 HydrophobicContact CG2-CD1 3.81Å; I9-Y657 HydrophobicContact CG2-CE1 3.92Å; I9-Y657 HydrophobicContact CG2-CG 4.14Å; I9-M779 HydrophobicContact CD1-CE 3.75Å; I9-M779 HydrophobicContact CD1-SD 3.58Å; I9-M779 VanDerWaalsContact CD1-SD 3.58Å
10N95.5Very high92.5Very high90 Ų9069.9 Ų69.948%0.48137%0.369SS..  trans-103.496.7166.3-175.5-48.9000108.1P12 S13 E14N10-P12 WeakPolarHBondContact OD1-CD 3.36Å; N10-S13 PolarHBondContact O-N 3.31Å; N10-S13 PolarHBondContact OD1-N 3.25Å; N10-S13 PolarHBondContact OD1-OG 3.1Å; N10-E14 PolarHBondContact O-N 3.12Å; N10-E14 VanDerWaalsContact O-N 3.15Å
11F96.1Very high92.8Very high15 Ų1568.3 Ų68.37%0.06636%0.36CS..Hα-helixtrans-56-50.4-177.4-64.2-79.5000112.8I9 S13 E14 E15 L649 F653 L654 I776I9-F11 HydrophobicContact CD1-CD1 3.88Å; I9-F11 HydrophobicContact CD1-CE1 3.73Å; I9-F11 HydrophobicContact CD1-CZ 4.35Å; I9-F11 HydrophobicContact CG1-CD1 4.2Å; I9-F11 HydrophobicContact CG1-CE1 4.23Å; I9-F11 HydrophobicContact CG1-CG 4.44Å; I9-F11 HydrophobicContact CG2-CD2 4.24Å; I9-F11 HydrophobicContact CG2-CE1 4.02Å; I9-F11 HydrophobicContact CG2-CE2 3.63Å; I9-F11 HydrophobicContact CG2-CZ 3.5Å; I9-F11 VanDerWaalsContact CG2-CZ 3.5Å; F11-S13 VanDerWaalsContact C-N 3.29Å; F11-S13 PolarHBondContact O-N 2.66Å; F11-E14 PolarHBondContact O-N 3.05Å; F11-E14 VanDerWaalsContact O-N 3.11Å; F11-E15 WeakPolarHBondContact O-CG 3.43Å; F11-E15 PolarHBondContact O-N 2.96Å; F11-L649 HydrophobicContact CB-CD2 4.46Å; F11-L649 HydrophobicContact CD2-CD1 4.45Å; F11-L649 HydrophobicContact CD2-CD2 3.65Å; F11-L649 HydrophobicContact CE2-CD2 4.03Å; F11-L649 HydrophobicContact CG-CD2 4.08Å; F11-F653 HydrophobicContact CD1-CD2 4.47Å; F11-F653 HydrophobicContact CE1-CB 3.92Å; F11-F653 HydrophobicContact CE1-CD2 4.4Å; F11-F653 HydrophobicContact CE2-CB 4.23Å; F11-F653 HydrophobicContact CZ-CB 3.62Å; F11-L654 HydrophobicContact CE2-CD2 4.07Å; F11-L654 HydrophobicContact CE2-CG 4.17Å; F11-L654 HydrophobicContact CZ-CD2 4.32Å; F11-L654 HydrophobicContact CZ-CG 4.49Å; F11-I776 HydrophobicContact CD1-CD1 4.22Å; F11-I776 HydrophobicContact CE1-CD1 3.61Å; F11-I776 HydrophobicContact CE1-CG1 4.29Å
12P96.9Very high94.4Very high14 Ų1459.8 Ų59.89%0.09132%0.317CS..Hα-helixtrans-50.8-44.2177.5-26.729.7000114.6N10 E15 E16 Q616N10-P12 WeakPolarHBondContact OD1-CD 3.36Å; P12-E15 PolarHBondContact O-N 3.31Å; P12-E16 PolarHBondContact O-N 3.12Å; P12-Q616 WeakPolarHBondContact CB-O 3.44Å; P12-Q616 VanDerWaalsContact CG-O 3.24Å; P12-Q616 WeakPolarHBondContact CG-O 3.48Å
13S96.9Very high94.7Very high51 Ų5165.9 Ų65.936%0.35735%0.345SS..Hα-helixtrans-70.1-36.3180-60.60000113.1N10 F11 E16 K17N10-S13 PolarHBondContact O-N 3.31Å; N10-S13 PolarHBondContact OD1-N 3.25Å; N10-S13 PolarHBondContact OD1-OG 3.1Å; F11-S13 VanDerWaalsContact C-N 3.29Å; F11-S13 PolarHBondContact O-N 2.66Å; S13-E16 PolarHBondContact O-N 3.4Å; S13-K17 PolarHBondContact O-N 3.44Å
14E97.1Very high95.1Very high47 Ų4765.9 Ų65.922%0.2235%0.345CS..Hα-helixtrans-68.8-37174.8-64-53.3137.100111.7I9 N10 F11 E16 K17 I18 M779I9-E14 HydrophobicContact CD1-CG 4.21Å; I9-E14 HydrophobicContact CG1-CG 4.15Å; N10-E14 PolarHBondContact O-N 3.12Å; N10-E14 VanDerWaalsContact O-N 3.15Å; F11-E14 PolarHBondContact O-N 3.05Å; F11-E14 VanDerWaalsContact O-N 3.11Å; E14-E16 VanDerWaalsContact C-N 3.3Å; E14-E16 PolarHBondContact O-N 3.05Å; E14-K17 VanDerWaalsContact CD-NZ 3.32Å; E14-K17 PolarHBondContact O-N 3.25Å; E14-K17 IonicContact OE1-NZ 2.87Å; E14-K17 PolarHBondContact OE1-NZ 3.16Å; E14-K17 WeakPolarHBondContact OE2-CD 3.2Å; E14-K17 IonicContact OE2-NZ 2.89Å; E14-K17 PolarHBondContact OE2-NZ 3.01Å; E14-I18 WeakPolarHBondContact O-CG1 3.44Å; E14-I18 PolarHBondContact O-N 2.86Å; E14-M779 HydrophobicContact CB-CG 4.44Å; E14-M779 HydrophobicContact CB-SD 3.78Å; E14-M779 HydrophobicContact CG-SD 3.83Å
15E98.3Very high95.4Very high8 Ų867.9 Ų67.94%0.03734%0.339CS..Hα-helixtrans-59.8-39.7174.6-65.7-176.6165.800112.2F11 P12 I18 L19 R137 G619 A620 D621 F775F11-E15 WeakPolarHBondContact O-CG 3.43Å; F11-E15 PolarHBondContact O-N 2.96Å; P12-E15 PolarHBondContact O-N 3.31Å; E15-I18 PolarHBondContact O-N 3.44Å; E15-L19 WeakPolarHBondContact O-CB 3.39Å; E15-L19 PolarHBondContact O-N 3.25Å; E15-R137 IonicContact OE2-CZ 2.79Å; E15-R137 VanDerWaalsContact OE2-CZ 3.22Å; E15-R137 IonicContact OE2-NH1 3.38Å; E15-R137 PolarHBondContact OE2-NH1 2.83Å; E15-R137 IonicContact OE2-NH2 2.79Å; E15-R137 PolarHBondContact OE2-NH2 3.01Å; E15-G619 WeakPolarHBondContact OE1-CA 3.49Å; E15-G619 VanDerWaalsContact OE2-CA 3.27Å; E15-G619 WeakPolarHBondContact OE2-CA 3.33Å; E15-A620 PolarHBondContact OE1-N 3.35Å; E15-A620 PolarHBondContact OE2-N 2.7Å; E15-D621 PolarHBondContact OE1-N 3.06Å; E15-F775 HydrophobicContact CB-CB 4.15Å; E15-F775 HydrophobicContact CB-CD1 3.96Å; E15-F775 HydrophobicContact CB-CD2 4.34Å; E15-F775 HydrophobicContact CB-CE1 4.43Å; E15-F775 HydrophobicContact CB-CG 3.92Å; E15-F775 HydrophobicContact CG-CB 3.59Å; E15-F775 HydrophobicContact CG-CD1 4.3Å; E15-F775 HydrophobicContact CG-CD2 4.03Å; E15-F775 HydrophobicContact CG-CG 3.74Å
16E97.9Very high95.5Very high109 Ų10970.2 Ų70.251%0.50935%0.35SS..Hα-helixtrans-64.3-40.7177.1-73.4179.5174.500112.4P12 S13 E14 I18 L19 Q20P12-E16 PolarHBondContact O-N 3.12Å; S13-E16 PolarHBondContact O-N 3.4Å; E14-E16 VanDerWaalsContact C-N 3.3Å; E14-E16 PolarHBondContact O-N 3.05Å; E16-I18 VanDerWaalsContact C-N 3.33Å; E16-I18 PolarHBondContact O-N 2.67Å; E16-L19 WeakPolarHBondContact O-CB 3.5Å; E16-L19 PolarHBondContact O-N 2.57Å; E16-Q20 PolarHBondContact O-N 3.42Å
17K97.8Very high95.8Very high114 Ų11466.8 Ų66.850%0.49633%0.328SS..Hα-helixtrans-61.8-42.2174.1-65.3174.1-170.5169.30111.6S13 E14 Q20 F21S13-K17 PolarHBondContact O-N 3.44Å; E14-K17 VanDerWaalsContact CD-NZ 3.32Å; E14-K17 PolarHBondContact O-N 3.25Å; E14-K17 IonicContact OE1-NZ 2.87Å; E14-K17 PolarHBondContact OE1-NZ 3.16Å; E14-K17 WeakPolarHBondContact OE2-CD 3.2Å; E14-K17 IonicContact OE2-NZ 2.89Å; E14-K17 PolarHBondContact OE2-NZ 3.01Å; K17-Q20 PolarHBondContact O-N 2.97Å; K17-F21 PolarHBondContact O-N 2.87Å
18I98.3Very high96.3Very high13 Ų1362.2 Ų62.27%0.06731%0.307CS..Hα-helixtrans-66.5-38.7176.6-66.1-54.5000111.6E14 E15 E16 Q20 F21 W22 F775 E778 M779E14-I18 WeakPolarHBondContact O-CG1 3.44Å; E14-I18 PolarHBondContact O-N 2.86Å; E15-I18 PolarHBondContact O-N 3.44Å; E16-I18 VanDerWaalsContact C-N 3.33Å; E16-I18 PolarHBondContact O-N 2.67Å; I18-Q20 VanDerWaalsContact C-N 3.33Å; I18-Q20 PolarHBondContact O-N 2.93Å; I18-F21 WeakPolarHBondContact O-CB 3.13Å; I18-F21 PolarHBondContact O-N 3.14Å; I18-W22 HydrophobicContact CG2-CD2 3.95Å; I18-W22 HydrophobicContact CG2-CE3 4.38Å; I18-W22 HydrophobicContact CG2-CH2 3.96Å; I18-W22 HydrophobicContact CG2-CZ2 3.5Å; I18-W22 HydrophobicContact CG2-CZ3 4.4Å; I18-W22 PolarHBondContact O-N 2.52Å; I18-F775 HydrophobicContact CB-CD1 4.01Å; I18-F775 HydrophobicContact CG2-CD1 3.76Å; I18-F775 HydrophobicContact CG2-CE1 4.46Å; I18-E778 HydrophobicContact CD1-CB 4.4Å; I18-E778 HydrophobicContact CD1-CG 3.99Å; I18-E778 HydrophobicContact CG2-CB 3.88Å; I18-E778 HydrophobicContact CG2-CG 3.74Å; I18-M779 HydrophobicContact CD1-CB 4.19Å; I18-M779 HydrophobicContact CG1-CB 4.11Å
19L97.5Very high96.6Very high37 Ų3760.6 Ų60.619%0.19429%0.288CS..Hα-helixtrans-58.9-45.5173-115.8140.2000111.6E15 E16 W22 Q23 R136 F775E15-L19 WeakPolarHBondContact O-CB 3.39Å; E15-L19 PolarHBondContact O-N 3.25Å; E16-L19 WeakPolarHBondContact O-CB 3.5Å; E16-L19 PolarHBondContact O-N 2.57Å; L19-W22 PolarHBondContact O-N 2.73Å; L19-Q23 WeakPolarHBondContact O-CB 3.23Å; L19-Q23 PolarHBondContact O-N 2.93Å; L19-R136 HydrophobicContact CD2-CB 4.41Å; L19-F775 HydrophobicContact CB-CE1 4.34Å; L19-F775 HydrophobicContact CD1-CE1 3.5Å; L19-F775 VanDerWaalsContact CD1-CE1 3.5Å; L19-F775 HydrophobicContact CD1-CZ 3.52Å; L19-F775 HydrophobicContact CG-CE1 3.74Å; L19-F775 HydrophobicContact CG-CZ 4.09Å
20Q97.9Very high96.7Very high111 Ų11161.6 Ų61.652%0.51929%0.292SS..Hα-helixtrans-61.5-46175.2-179.2175.2-0.100111.1E16 K17 I18 W22 Q23 E24E16-Q20 PolarHBondContact O-N 3.42Å; K17-Q20 PolarHBondContact O-N 2.97Å; I18-Q20 VanDerWaalsContact C-N 3.33Å; I18-Q20 PolarHBondContact O-N 2.93Å; Q20-W22 PolarHBondContact O-N 2.92Å; Q20-Q23 PolarHBondContact O-N 3.43Å; Q20-Q23 VanDerWaalsContact O-N 3.16Å; Q20-E24 HydrophobicContact CG-CG 4.32Å; Q20-E24 VanDerWaalsContact CG-OE1 3.3Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.42Å; Q20-E24 PolarHBondContact NE2-OE1 3.29Å; Q20-E24 WeakPolarHBondContact O-CG 3.46Å; Q20-E24 PolarHBondContact O-N 3.11Å
21F97.9Very high96.6Very high38 Ų3857.4 Ų57.417%0.16727%0.269CS..Hα-helixtrans-56.5-48.2175.2166.2-98.5000112.3K17 I18 Q23 E24 R25 E778 N799K17-F21 PolarHBondContact O-N 2.87Å; I18-F21 WeakPolarHBondContact O-CB 3.13Å; I18-F21 PolarHBondContact O-N 3.14Å; F21-Q23 VanDerWaalsContact C-N 3.26Å; F21-Q23 PolarHBondContact O-N 3.3Å; F21-E24 PolarHBondContact O-N 3.47Å; F21-R25 HydrophobicContact CD2-CG 4.14Å; F21-R25 HydrophobicContact CE2-CG 3.84Å; F21-R25 HydrophobicContact CZ-CG 4.28Å; F21-R25 WeakPolarHBondContact O-CB 3.44Å; F21-R25 WeakPolarHBondContact O-CG 3.5Å; F21-R25 PolarHBondContact O-N 3.17Å; F21-R25 VanDerWaalsContact O-N 3.08Å; F21-E778 HydrophobicContact CE1-CG 4.48Å; F21-N799 WeakPolarHBondContact CZ-O 3.49Å
22W98Very high96.6Very high16 Ų1657.6 Ų57.66%0.06127%0.271CS..Hα-helixtrans-62-35.3177.8-71.3-20.4000112.6I18 L19 Q20 D26 C27 W141 P774 F775 E778 H802I18-W22 HydrophobicContact CG2-CD2 3.95Å; I18-W22 HydrophobicContact CG2-CE3 4.38Å; I18-W22 HydrophobicContact CG2-CH2 3.96Å; I18-W22 HydrophobicContact CG2-CZ2 3.5Å; I18-W22 HydrophobicContact CG2-CZ3 4.4Å; I18-W22 PolarHBondContact O-N 2.52Å; L19-W22 PolarHBondContact O-N 2.73Å; Q20-W22 PolarHBondContact O-N 2.92Å; W22-D26 WeakPolarHBondContact O-CA 3.22Å; W22-D26 PolarHBondContact O-N 3.01Å; W22-C27 HydrophobicContact CB-CB 4.21Å; W22-C27 HydrophobicContact CG-CB 4.21Å; W22-C27 PolarHBondContact O-N 2.56Å; W22-W141 AromaticContact CD2-CZ2 3.99Å; W22-W141 HydrophobicContact CD2-CZ2 3.99Å; W22-W141 AromaticContact CD2-NE1 3.92Å; W22-W141 AromaticContact CE2-CZ2 3.96Å; W22-W141 HydrophobicContact CE3-CZ2 4.49Å; W22-W141 AromaticContact CE3-NE1 3.59Å; W22-W141 HydrophobicContact CG-CZ2 4.18Å; W22-W141 HydrophobicContact CZ2-CZ2 4.49Å; W22-W141 AromaticContact CZ3-NE1 3.96Å; W22-P774 HydrophobicContact CH2-CB 3.84Å; W22-P774 HydrophobicContact CH2-CG 4.36Å; W22-P774 HydrophobicContact CZ2-CB 4.36Å; W22-P774 WeakPolarHBondContact CZ2-O 3.43Å; W22-F775 HydrophobicContact CE3-CE1 4.02Å; W22-F775 AromaticContact CH2-CD1 3.57Å; W22-F775 HydrophobicContact CH2-CD1 3.57Å; W22-F775 AromaticContact CH2-CE1 3.65Å; W22-F775 HydrophobicContact CH2-CE1 3.65Å; W22-F775 HydrophobicContact CH2-CG 4.09Å; W22-F775 HydrophobicContact CH2-CZ 4.23Å; W22-F775 HydrophobicContact CZ2-CD1 4.42Å; W22-F775 AromaticContact CZ3-CD1 3.69Å; W22-F775 HydrophobicContact CZ3-CD1 3.69Å; W22-F775 AromaticContact CZ3-CE1 3.24Å; W22-F775 HydrophobicContact CZ3-CE1 3.24Å; W22-F775 HydrophobicContact CZ3-CG 4.48Å; W22-F775 AromaticContact CZ3-CZ 3.72Å; W22-F775 HydrophobicContact CZ3-CZ 3.72Å; W22-E778 HydrophobicContact CZ2-CB 4.03Å; W22-E778 HydrophobicContact CZ2-CG 4.22Å; W22-E778 PolarHBondContact NE1-OE2 2.93Å; W22-H802 AromaticContact CZ2-CD2 3.86Å; W22-H802 AromaticContact CZ2-NE2 3.46Å; W22-H802 WeakPolarHBondContact CZ2-NE2 3.18Å
23Q95.2Very high96.5Very high136 Ų13663.4 Ų63.464%0.63630%0.295SS*.Hα-helixtrans-71.1-45.6177.6-177.9174.8-700112.1L19 Q20 F21 R25 D26L19-Q23 WeakPolarHBondContact O-CB 3.23Å; L19-Q23 PolarHBondContact O-N 2.93Å; Q20-Q23 PolarHBondContact O-N 3.43Å; Q20-Q23 VanDerWaalsContact O-N 3.16Å; F21-Q23 VanDerWaalsContact C-N 3.26Å; F21-Q23 PolarHBondContact O-N 3.3Å; Q23-R25 VanDerWaalsContact C-N 3.27Å; Q23-R25 PolarHBondContact O-N 3.32Å; Q23-D26 PolarHBondContact O-N 3.24Å
24E96.9Very high96.2Very high133 Ų13363.5 Ų63.562%0.62129%0.29SS*.Hα-helixtrans-64.4-32.4179.6-73.2175.7-174.900112.5Q20 F21Q20-E24 HydrophobicContact CG-CG 4.32Å; Q20-E24 VanDerWaalsContact CG-OE1 3.3Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.42Å; Q20-E24 PolarHBondContact NE2-OE1 3.29Å; Q20-E24 WeakPolarHBondContact O-CG 3.46Å; Q20-E24 PolarHBondContact O-N 3.11Å; F21-E24 PolarHBondContact O-N 3.47Å
25R95.1Very high96.1Very high144 Ų14461.2 Ų61.254%0.54328%0.279SS..THydrogen-bonded Turntrans-98.2-0.8-179.2-63.9-64.9-173.2130.5-0.4114.3F21 Q23 C27F21-R25 HydrophobicContact CD2-CG 4.14Å; F21-R25 HydrophobicContact CE2-CG 3.84Å; F21-R25 HydrophobicContact CZ-CG 4.28Å; F21-R25 WeakPolarHBondContact O-CB 3.44Å; F21-R25 WeakPolarHBondContact O-CG 3.5Å; F21-R25 PolarHBondContact O-N 3.17Å; F21-R25 VanDerWaalsContact O-N 3.08Å; Q23-R25 VanDerWaalsContact C-N 3.27Å; Q23-R25 PolarHBondContact O-N 3.32Å; R25-C27 VanDerWaalsContact C-N 3.27Å; R25-C27 PolarHBondContact O-N 2.95Å
26D95.2Very high95.9Very high82 Ų8268.1 Ų68.144%0.43931%0.309SS..THydrogen-bonded Turntrans46.248.3-173.9-157.67.2000113.3W22 Q23 F28 Q29 E30W22-D26 WeakPolarHBondContact O-CA 3.22Å; W22-D26 PolarHBondContact O-N 3.01Å; Q23-D26 PolarHBondContact O-N 3.24Å; D26-F28 VanDerWaalsContact C-N 3.26Å; D26-F28 PolarHBondContact O-N 3.41Å; D26-F28 VanDerWaalsContact O-N 3.15Å; D26-Q29 PolarHBondContact O-N 3.14Å; D26-Q29 VanDerWaalsContact OD1-CG 3.22Å; D26-Q29 WeakPolarHBondContact OD1-CG 3.44Å; D26-Q29 WeakPolarHBondContact OD2-CB 3.46Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.18Å; D26-E30 PolarHBondContact O-N 3.43Å
27C96.3Very high95.7Very high1 Ų170.7 Ų70.71%0.00733%0.326CS..Hα-helixtrans-60.2-34.8-165.1-72.40000113.6W22 R25 C31 W141 Y803W22-C27 HydrophobicContact CB-CB 4.21Å; W22-C27 HydrophobicContact CG-CB 4.21Å; W22-C27 PolarHBondContact O-N 2.56Å; R25-C27 VanDerWaalsContact C-N 3.27Å; R25-C27 PolarHBondContact O-N 2.95Å; C27-C31 VanDerWaalsContact O-CB 3.26Å; C27-C31 WeakPolarHBondContact O-CB 3.32Å; C27-C31 PolarHBondContact O-N 2.76Å; C27-W141 HydrophobicContact CB-CH2 4.1Å; C27-W141 HydrophobicContact CB-CZ2 3.97Å; C27-Y803 WeakPolarHBondContact CA-OH 3.34Å; C27-Y803 HydrophobicContact CB-CE1 4.33Å; C27-Y803 WeakPolarHBondContact CB-OH 3.46Å; C27-Y803 WeakPolarHBondContact O-CE1 3.35Å; C27-Y803 PolarHBondContact SG-OH 2.88Å
28F96.1Very high95.5Very high21 Ų2168.3 Ų68.39%0.09231%0.314CS..Hα-helixtrans-65.5-43.3177.7173.1-131.8000112.1D26 C31 L32 R81 W141 D143D26-F28 VanDerWaalsContact C-N 3.26Å; D26-F28 PolarHBondContact O-N 3.41Å; D26-F28 VanDerWaalsContact O-N 3.15Å; F28-C31 WeakPolarHBondContact O-CB 3.49Å; F28-C31 PolarHBondContact O-N 2.69Å; F28-L32 HydrophobicContact CD2-CG 4.39Å; F28-L32 HydrophobicContact CE1-CD1 4.19Å; F28-L32 HydrophobicContact CE2-CD1 3.91Å; F28-L32 HydrophobicContact CE2-CD2 4.15Å; F28-L32 HydrophobicContact CE2-CG 3.92Å; F28-L32 HydrophobicContact CZ-CD1 3.71Å; F28-L32 HydrophobicContact CZ-CG 4.25Å; F28-L32 PolarHBondContact O-N 3.45Å; F28-L32 VanDerWaalsContact O-N 3.11Å; F28-R81 HydrophobicContact CZ-CB 4.13Å; F28-W141 HydrophobicContact CB-CB 4.42Å; F28-W141 HydrophobicContact CB-CD2 3.93Å; F28-W141 HydrophobicContact CB-CE3 4.26Å; F28-W141 HydrophobicContact CB-CG 4Å; F28-W141 HydrophobicContact CD2-CB 3.65Å; F28-W141 HydrophobicContact CD2-CD2 4.11Å; F28-W141 AromaticContact CD2-CE3 3.95Å; F28-W141 HydrophobicContact CD2-CE3 3.95Å; F28-W141 HydrophobicContact CD2-CG 4.03Å; F28-W141 HydrophobicContact CE2-CB 4.07Å; F28-W141 HydrophobicContact CG-CB 4Å; F28-W141 HydrophobicContact CG-CD2 4.34Å; F28-W141 HydrophobicContact CG-CG 4.12Å; F28-D143 HydrophobicContact CE1-CB 4.1Å
29Q95.1Very high95.5Very high65 Ų6571.8 Ų71.830%0.30434%0.338SS..Hα-helixtrans-71.3-37.3179.5-64.4-62-33.300111.7D26 C31 L32 K33D26-Q29 PolarHBondContact O-N 3.14Å; D26-Q29 VanDerWaalsContact OD1-CG 3.22Å; D26-Q29 WeakPolarHBondContact OD1-CG 3.44Å; D26-Q29 WeakPolarHBondContact OD2-CB 3.46Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.18Å; Q29-C31 VanDerWaalsContact C-N 3.32Å; Q29-C31 PolarHBondContact O-N 3.27Å; Q29-L32 PolarHBondContact O-N 2.97Å; Q29-K33 WeakPolarHBondContact O-CB 3.37Å; Q29-K33 PolarHBondContact O-N 3.16Å
30E95.1Very high95.4Very high49 Ų4975.6 Ų75.623%0.22935%0.349CS..Hα-helixtrans-64.1-38.9173.8-169.558.9-138.800111.1D26 L32 K33 Q34D26-E30 PolarHBondContact O-N 3.43Å; E30-L32 PolarHBondContact O-N 3.32Å; E30-K33 PolarHBondContact O-N 3.48Å; E30-K33 IonicContact OE1-NZ 2.66Å; E30-K33 PolarHBondContact OE1-NZ 3.36Å; E30-K33 WeakPolarHBondContact OE2-CD 3.43Å; E30-K33 IonicContact OE2-NZ 3.76Å; E30-K33 PolarHBondContact OE2-NZ 3.06Å; E30-Q34 HydrophobicContact CG-CG 4.49Å; E30-Q34 WeakPolarHBondContact O-CB 3.46Å; E30-Q34 VanDerWaalsContact O-CG 3.3Å; E30-Q34 WeakPolarHBondContact O-CG 3.39Å; E30-Q34 PolarHBondContact O-N 3Å
31C94.3Very high95.4Very high1 Ų171.3 Ų71.31%0.00733%0.329CS..Hα-helixtrans-57.5-44.7171.7169.60000112.7C27 F28 Q29 S35 H73 W141 Y803C27-C31 VanDerWaalsContact O-CB 3.26Å; C27-C31 WeakPolarHBondContact O-CB 3.32Å; C27-C31 PolarHBondContact O-N 2.76Å; F28-C31 WeakPolarHBondContact O-CB 3.49Å; F28-C31 PolarHBondContact O-N 2.69Å; Q29-C31 VanDerWaalsContact C-N 3.32Å; Q29-C31 PolarHBondContact O-N 3.27Å; C31-S35 PolarHBondContact O-N 3.29Å; C31-S35 PolarHBondContact O-OG 2.97Å; C31-H73 PolarHBondContact O-CE1 2.92Å; C31-H73 VanDerWaalsContact O-CE1 3.27Å; C31-H73 VanDerWaalsContact SG-CD2 3.54Å; C31-H73 PolarHBondContact SG-CE1 3.18Å; C31-H73 PolarHBondContact SG-NE2 2.93Å; C31-W141 HydrophobicContact CB-CZ3 4.01Å; C31-Y803 HydrophobicContact CB-CD1 4.23Å; C31-Y803 HydrophobicContact CB-CE1 4.09Å
32L94.4Very high95.3Very high19 Ų1970.5 Ų70.510%0.09933%0.327CS..Hα-helixtrans-64.6-43.9175.1-69178.5000111.9F28 Q29 E30 Q34 S35 K36 H78 V79F28-L32 HydrophobicContact CD2-CG 4.39Å; F28-L32 HydrophobicContact CE1-CD1 4.19Å; F28-L32 HydrophobicContact CE2-CD1 3.91Å; F28-L32 HydrophobicContact CE2-CD2 4.15Å; F28-L32 HydrophobicContact CE2-CG 3.92Å; F28-L32 HydrophobicContact CZ-CD1 3.71Å; F28-L32 HydrophobicContact CZ-CG 4.25Å; F28-L32 PolarHBondContact O-N 3.45Å; F28-L32 VanDerWaalsContact O-N 3.11Å; Q29-L32 PolarHBondContact O-N 2.97Å; E30-L32 PolarHBondContact O-N 3.32Å; L32-Q34 PolarHBondContact O-N 3.42Å; L32-S35 PolarHBondContact O-N 3.41Å; L32-S35 PolarHBondContact O-OG 2.81Å; L32-S35 VanDerWaalsContact O-OG 3.07Å; L32-K36 PolarHBondContact O-N 2.89Å; L32-K36 VanDerWaalsContact O-N 3.13Å; L32-H78 PolarHBondContact O-CE1 2.81Å; L32-H78 VanDerWaalsContact O-CE1 3.28Å; L32-H78 PolarHBondContact O-ND1 2.97Å; L32-V79 WeakPolarHBondContact CD2-O 3.43Å
33K94.6Very high95.3Very high137 Ų13770.3 Ų70.360%0.59633%0.327SS*.Hα-helixtrans-62.2-43.7179.2179.1-174.8160.4-149.50112.4Q29 E30 S35 K36Q29-K33 WeakPolarHBondContact O-CB 3.37Å; Q29-K33 PolarHBondContact O-N 3.16Å; E30-K33 PolarHBondContact O-N 3.48Å; E30-K33 IonicContact OE1-NZ 2.66Å; E30-K33 PolarHBondContact OE1-NZ 3.36Å; E30-K33 WeakPolarHBondContact OE2-CD 3.43Å; E30-K33 IonicContact OE2-NZ 3.76Å; E30-K33 PolarHBondContact OE2-NZ 3.06Å; K33-S35 PolarHBondContact O-N 3.18Å; K33-K36 WeakPolarHBondContact O-CB 3.3Å; K33-K36 PolarHBondContact O-N 3.24Å
34Q91.1Very high95.4Very high52 Ų5264.2 Ų64.224%0.24330%0.298CS..Hα-helixtrans-62.8-30.2177-72.8-179.830.800112.7E30 L32E30-Q34 HydrophobicContact CG-CG 4.49Å; E30-Q34 WeakPolarHBondContact O-CB 3.46Å; E30-Q34 VanDerWaalsContact O-CG 3.3Å; E30-Q34 WeakPolarHBondContact O-CG 3.39Å; E30-Q34 PolarHBondContact O-N 3Å; L32-Q34 PolarHBondContact O-N 3.42Å
35S94.4Very high95.3Very high0 Ų057.9 Ų57.90%027%0.268CS..Hα-helixtrans-93.7-4.2-178.755.20000114.7C31 L32 K33 N37 R38 H78C31-S35 PolarHBondContact O-N 3.29Å; C31-S35 PolarHBondContact O-OG 2.97Å; L32-S35 PolarHBondContact O-N 3.41Å; L32-S35 PolarHBondContact O-OG 2.81Å; L32-S35 VanDerWaalsContact O-OG 3.07Å; K33-S35 PolarHBondContact O-N 3.18Å; S35-N37 PolarHBondContact O-N 2.78Å; S35-R38 VanDerWaalsContact O-CB 3.24Å; S35-R38 WeakPolarHBondContact O-CB 3.24Å; S35-R38 WeakPolarHBondContact O-CG 3.31Å; S35-R38 PolarHBondContact O-N 3.05Å; S35-H78 WeakPolarHBondContact O-CB 3.43Å; S35-H78 PolarHBondContact OG-ND1 2.87Å
36K94.3Very high95.1Very high153 Ų15351.3 Ų51.367%0.66525%0.245SC*.THydrogen-bonded Turntrans-49.4-32.1-170.5-173.3174.2-177.6175.40116.1L32 K33L32-K36 PolarHBondContact O-N 2.89Å; L32-K36 VanDerWaalsContact O-N 3.13Å; K33-K36 WeakPolarHBondContact O-CB 3.3Å; K33-K36 PolarHBondContact O-N 3.24Å
37N94Very high95Very high162 Ų16248.1 Ų48.187%0.86623%0.229SC*.THydrogen-bonded Turntrans-98.86.5-178.5-61.8-29.8000113.9S35S35-N37 PolarHBondContact O-N 2.78Å
38R95.1Very high94.7Very high64 Ų6449 Ų4924%0.24223%0.234CC..SBendtrans-83.9161.9176.4-63.3-176.9-173.2168.5-2110.6S35 R40 H73 G76 H78 M805S35-R38 VanDerWaalsContact O-CB 3.24Å; S35-R38 WeakPolarHBondContact O-CB 3.24Å; S35-R38 WeakPolarHBondContact O-CG 3.31Å; S35-R38 PolarHBondContact O-N 3.05Å; R38-R40 PolarHBondContact O-N 2.8Å; R38-H73 PolarHBondContact NH1-O 2.82Å; R38-G76 WeakPolarHBondContact CB-O 3.44Å; R38-G76 WeakPolarHBondContact CD-O 3.15Å; R38-H78 HydrophobicContact CB-CB 4.43Å; R38-M805 PolarHBondContact NH1-SD 3.45Å
39P96.3Very high94.1Very high87 Ų8750.5 Ų50.557%0.56524%0.241SC*.PPolyproline II helixtrans-53.1137.8171.9-2535000111.3F77 H78P39-F77 HydrophobicContact CB-CD1 4Å; P39-F77 HydrophobicContact CB-CE1 4.16Å; P39-F77 CarbonylContact O-C 3.55Å; P39-F77 WeakPolarHBondContact O-CA 3.25Å; P39-F77 WeakPolarHBondContact O-CD1 3.4Å; P39-H78 PolarHBondContact O-N 2.8Å
40R95.9Very high93.4Very high116 Ų11647.4 Ų47.444%0.43823%0.227SC..BIsolated β-bridgetrans-74.6143.9178.5-71.5-173.1171-148.53.4110.9R38 H78 E547R38-R40 PolarHBondContact O-N 2.8Å; R40-H78 WeakPolarHBondContact CA-O 3.35Å; R40-E547 IonicContact CZ-OE1 3.4Å; R40-E547 VanDerWaalsContact CZ-OE1 3.28Å; R40-E547 IonicContact NH1-OE1 2.82Å; R40-E547 PolarHBondContact NH1-OE1 2.93Å; R40-E547 IonicContact NH2-OE1 3.92Å; R40-E547 PolarHBondContact NH2-OE1 3.11Å
41Y97.6Very high92.4Very high22 Ų2247 Ų479%0.08623%0.227CC..  trans-126.2110.9168.6-179.4-79.8000107.8A72 F77 H78 V79 D555 F556 Y714Y41-A72 HydrophobicContact CD1-CB 3.93Å; Y41-A72 HydrophobicContact CD2-CB 4.13Å; Y41-A72 HydrophobicContact CE1-CB 4.07Å; Y41-A72 HydrophobicContact CE2-CB 4.26Å; Y41-A72 HydrophobicContact CG-CB 3.96Å; Y41-F77 HydrophobicContact CD2-CG 4.47Å; Y41-H78 PolarHBondContact N-O 2.8Å; Y41-V79 HydrophobicContact CD1-CG1 4.17Å; Y41-V79 HydrophobicContact CD1-CG2 4.43Å; Y41-D555 WeakPolarHBondContact CA-OD2 3.22Å; Y41-D555 HydrophobicContact CD1-CB 4.29Å; Y41-D555 HydrophobicContact CD2-CB 3.85Å; Y41-D555 HydrophobicContact CE1-CB 4.12Å; Y41-D555 HydrophobicContact CE2-CB 3.67Å; Y41-D555 HydrophobicContact CG-CB 4.16Å; Y41-F556 HydrophobicContact CE1-CB 3.88Å; Y41-F556 WeakPolarHBondContact OH-CB 3.34Å; Y41-Y714 VanDerWaalsContact OH-CE1 3.3Å; Y41-Y714 WeakPolarHBondContact OH-CE1 3.23Å; Y41-Y714 PolarHBondContact OH-OH 2.98Å
42T96.9Very high91.7Very high20 Ų2047.3 Ų47.312%0.12323%0.231CC..  trans-87.4124.6-171.1-54.60000110.3Y44 T551 A554 D555 F556T42-Y44 HydrophobicContact CG2-CD1 4.31Å; T42-Y44 HydrophobicContact CG2-CE1 3.77Å; T42-T551 WeakPolarHBondContact OG1-CB 3.48Å; T42-T551 PolarHBondContact OG1-O 3.02Å; T42-A554 HydrophobicContact CG2-CB 3.86Å; T42-D555 PolarHBondContact N-OD2 3.34Å; T42-D555 PolarHBondContact O-N 2.87Å; T42-F556 PolarHBondContact O-N 2.9Å
43F97Very high91.2Very high13 Ų1350 Ų506%0.05725%0.245CC..BIsolated β-bridgetrans-122.4131.3178.6156.3-110.2000109.6D45 K65 T69 V79 R81 I142 F556F43-D45 HydrophobicContact CE1-CB 3.87Å; F43-D45 HydrophobicContact CZ-CB 3.7Å; F43-K65 HydrophobicContact CE2-CB 4Å; F43-K65 HydrophobicContact CE2-CD 3.82Å; F43-K65 HydrophobicContact CE2-CG 3.79Å; F43-K65 HydrophobicContact CZ-CB 3.89Å; F43-K65 HydrophobicContact CZ-CD 3.79Å; F43-K65 HydrophobicContact CZ-CG 4Å; F43-T69 HydrophobicContact CB-CG2 4.03Å; F43-T69 HydrophobicContact CD1-CG2 3.85Å; F43-T69 HydrophobicContact CD2-CG2 4.13Å; F43-T69 HydrophobicContact CE1-CG2 4.38Å; F43-T69 HydrophobicContact CG-CG2 3.71Å; F43-V79 HydrophobicContact CB-CG1 4.47Å; F43-R81 HydrophobicContact CD1-CG 4.44Å; F43-I142 HydrophobicContact CE1-CD1 4.45Å; F43-F556 AromaticContact CD2-CD1 3.73Å; F43-F556 HydrophobicContact CD2-CD1 3.73Å; F43-F556 HydrophobicContact CD2-CE1 4.09Å; F43-F556 HydrophobicContact CE2-CD1 4.34Å; F43-F556 HydrophobicContact CE2-CE1 4.26Å
44Y97.1Very high90.9Very high7 Ų744 Ų443%0.02722%0.22CC..  trans-104.4124.8170-60.5-28.8000110.7T42 M533 P534 A554 F556 I557T42-Y44 HydrophobicContact CG2-CD1 4.31Å; T42-Y44 HydrophobicContact CG2-CE1 3.77Å; Y44-M533 HydrophobicContact CD1-CE 4.25Å; Y44-M533 HydrophobicContact CD1-SD 4.24Å; Y44-M533 HydrophobicContact CG-CE 4.46Å; Y44-M533 HydrophobicContact CG-SD 4.12Å; Y44-P534 HydrophobicContact CD2-CB 4.35Å; Y44-P534 HydrophobicContact CD2-CG 4.09Å; Y44-P534 HydrophobicContact CE2-CB 3.56Å; Y44-P534 HydrophobicContact CE2-CG 3.71Å; Y44-A554 HydrophobicContact CD1-CB 4.17Å; Y44-A554 HydrophobicContact CD2-CB 3.5Å; Y44-A554 HydrophobicContact CE1-CB 4.11Å; Y44-A554 HydrophobicContact CE2-CB 3.43Å; Y44-A554 VanDerWaalsContact CE2-CB 3.43Å; Y44-A554 HydrophobicContact CG-CB 3.89Å; Y44-F556 PolarHBondContact N-O 2.81Å; Y44-I557 HydrophobicContact CD2-CG2 4.41Å; Y44-I557 HydrophobicContact CG-CG2 4.49Å
45D95Very high90.8Very high1 Ų144.4 Ų44.41%0.00522%0.222CC..PPolyproline II helixtrans-87116.8172.9-162.226.7000109.5F43 P47 K65 R140 I142 Y148F43-D45 HydrophobicContact CE1-CB 3.87Å; F43-D45 HydrophobicContact CZ-CB 3.7Å; D45-P47 WeakPolarHBondContact O-CD 2.76Å; D45-K65 VanDerWaalsContact OD1-CD 3.29Å; D45-K65 WeakPolarHBondContact OD1-CD 3.48Å; D45-K65 VanDerWaalsContact OD1-CE 3.24Å; D45-K65 WeakPolarHBondContact OD1-CE 3.32Å; D45-K65 IonicContact OD1-NZ 2.68Å; D45-K65 PolarHBondContact OD1-NZ 3.07Å; D45-R140 IonicContact OD1-CZ 3.12Å; D45-R140 IonicContact OD1-NH1 3.17Å; D45-R140 IonicContact OD1-NH2 3.81Å; D45-R140 PolarHBondContact OD1-NH2 3.49Å; D45-R140 IonicContact OD2-CZ 3.53Å; D45-R140 IonicContact OD2-NH1 3.92Å; D45-R140 PolarHBondContact OD2-NH1 3.23Å; D45-R140 IonicContact OD2-NH2 3.76Å; D45-R140 PolarHBondContact OD2-NH2 2.77Å; D45-I142 HydrophobicContact CB-CD1 4.34Å; D45-I142 WeakPolarHBondContact OD2-CD1 3.48Å; D45-Y148 PolarHBondContact O-OH 3.03Å
46G92.3Very high90.6Very high5 Ų544.4 Ų44.45%0.05222%0.222CC..PPolyproline II helixtrans-61.4121.2173.100000109.9P48 E559 W567G46-P48 WeakPolarHBondContact O-CD 3.38Å; G46-E559 VanDerWaalsContact CA-OE1 3.3Å; G46-E559 WeakPolarHBondContact CA-OE1 3.27Å; G46-E559 PolarHBondContact N-OE1 3.16Å; G46-W567 VanDerWaalsContact CA-CH2 3.47Å
47P92.3Very high90.4Very high15 Ų1538 Ų3810%0.09720%0.199CC..PPolyproline II helixtrans-74.5116.1-171.627-31.9000110.7D45 D86 Y148D45-P47 WeakPolarHBondContact O-CD 2.76Å; P47-D86 HydrophobicContact CB-CB 4.26Å; P47-D86 HydrophobicContact CG-CB 4.4Å; P47-Y148 HydrophobicContact CB-CE2 4.1Å; P47-Y148 WeakPolarHBondContact CB-OH 3.37Å; P47-Y148 WeakPolarHBondContact CD-OH 3.47Å; P47-Y148 HydrophobicContact CG-CE2 4.38Å
48P90.5Very high90.3Very high20 Ų2033.5 Ų33.513%0.1317%0.173CC..PPolyproline II helixtrans-65.9153.3171.727.5-37.3000111.9G46 F83 G84 W85 D86 W131G46-P48 WeakPolarHBondContact O-CD 3.38Å; P48-F83 HydrophobicContact CG-CE1 3.75Å; P48-F83 HydrophobicContact CG-CZ 3.76Å; P48-G84 VanDerWaalsContact CD-O 3.3Å; P48-G84 WeakPolarHBondContact CD-O 3.22Å; P48-W85 HydrophobicContact CG-CE3 4.25Å; P48-W85 HydrophobicContact CG-CZ3 4.1Å; P48-D86 PolarHBondContact O-N 3.16Å; P48-W131 HydrophobicContact CB-CH2 3.54Å; P48-W131 HydrophobicContact CB-CZ2 4.07Å; P48-W131 HydrophobicContact CB-CZ3 3.98Å; P48-W131 HydrophobicContact CG-CE3 4.34Å; P48-W131 HydrophobicContact CG-CH2 3.9Å; P48-W131 HydrophobicContact CG-CZ3 3.8Å
49F82.8Confident90.3Very high53 Ų5330.9 Ų30.923%0.23216%0.164CC..BIsolated β-bridgetrans-68.9131.7169.1-71.4-70.9000111T51 D86 P91 C526F49-T51 HydrophobicContact CB-CG2 4.07Å; F49-T51 PolarHBondContact O-N 2.85Å; F49-D86 WeakPolarHBondContact CA-O 3.47Å; F49-D86 HydrophobicContact CD1-CB 3.86Å; F49-D86 HydrophobicContact CE1-CB 3.95Å; F49-D86 VanDerWaalsContact CE1-OD2 3.25Å; F49-D86 WeakPolarHBondContact CE1-OD2 3.24Å; F49-P91 HydrophobicContact CD1-CB 4.08Å; F49-P91 HydrophobicContact CD1-CG 3.99Å; F49-P91 HydrophobicContact CD2-CG 4.47Å; F49-P91 HydrophobicContact CE1-CB 4.44Å; F49-P91 HydrophobicContact CE1-CG 3.85Å; F49-P91 HydrophobicContact CE2-CG 4.35Å; F49-P91 HydrophobicContact CG-CB 4.23Å; F49-P91 HydrophobicContact CG-CG 4.31Å; F49-P91 HydrophobicContact CZ-CG 4.05Å; F49-C526 HydrophobicContact CE1-CB 4.48Å
50A80.4Confident90.3Very high0 Ų026.8 Ų26.80%014%0.137CC..THydrogen-bonded Turntrans-80.756.7175.300000112.3W85 D86 V124 Y127A50-W85 HydrophobicContact CB-CE3 3.69Å; A50-W85 HydrophobicContact CB-CZ3 3.93Å; A50-D86 PolarHBondContact N-O 3.41Å; A50-V124 HydrophobicContact CB-CB 4.11Å; A50-V124 HydrophobicContact CB-CG1 3.78Å; A50-V124 HydrophobicContact CB-CG2 4.13Å; A50-Y127 WeakPolarHBondContact O-CD2 3.38Å
51T74.3Confident90.3Very high40 Ų4021.5 Ų21.525%0.24512%0.118CC..THydrogen-bonded Turntrans-118.4-5.2-172.654.70000114.5F49 P91 V92 Y127F49-T51 HydrophobicContact CB-CG2 4.07Å; F49-T51 PolarHBondContact O-N 2.85Å; T51-P91 VanDerWaalsContact CG2-C 3.49Å; T51-P91 HydrophobicContact CG2-CB 3.78Å; T51-P91 WeakPolarHBondContact CG2-O 3.48Å; T51-V92 HydrophobicContact CG2-CB 4.35Å; T51-V92 HydrophobicContact CG2-CG2 3.63Å; T51-Y127 VanDerWaalsContact C-CE2 3.43Å; T51-Y127 WeakPolarHBondContact O-CE2 3.3Å
52G79.5Confident90.3Very high7 Ų720.8 Ų20.87%0.07212%0.118CC..SBendtrans172.5170.9175.300000113.2W131G52-W131 PolarHBondContact O-NE1 2.94Å
53L84.7Confident90.3Very high76 Ų7620 Ų2040%0.39811%0.112SC..  trans-52.1149.1177.1-65.6175.7000115.1E130 K603L53-E130 HydrophobicContact CD2-CB 3.72Å; L53-E130 HydrophobicContact CD2-CG 4.33Å; L53-E130 WeakPolarHBondContact CD2-OE2 3.43Å; L53-K603 VanDerWaalsContact O-CE 3.31Å; L53-K603 WeakPolarHBondContact O-CE 3.29Å; L53-K603 PolarHBondContact O-NZ 3.45Å
54P87.9Confident90.3Very high12 Ų1219.3 Ų19.38%0.07811%0.11CC..  trans-64.8157.2177.427.9-34.9000112.4H58 W131 T134P54-H58 WeakPolarHBondContact CA-ND1 3.49Å; P54-H58 HydrophobicContact CB-CB 4.03Å; P54-W131 HydrophobicContact CB-CD2 4.15Å; P54-W131 HydrophobicContact CB-CE3 4.23Å; P54-W131 HydrophobicContact CB-CH2 4.11Å; P54-W131 HydrophobicContact CB-CZ2 3.98Å; P54-W131 HydrophobicContact CB-CZ3 4.22Å; P54-W131 HydrophobicContact CG-CD2 4.29Å; P54-T134 HydrophobicContact CG-CG2 3.51Å
55H87.4Confident90.4Very high60 Ų6019.4 Ų19.428%0.27811%0.11SC..  trans-132.8175.5176.26045.9000108.8G57 H58 I59 Y608H55-G57 PolarHBondContact ND1-N 3.3Å; H55-G57 VanDerWaalsContact ND1-N 3.1Å; H55-G57 PolarHBondContact O-N 3.43Å; H55-H58 AromaticContact CD2-CE1 3.54Å; H55-H58 AromaticContact CD2-ND1 3.71Å; H55-H58 AromaticContact CE1-CD2 3.96Å; H55-H58 AromaticContact CE1-CE1 3.42Å; H55-H58 PolarHBondContact CE1-CE1 3.31Å; H55-H58 VanDerWaalsContact CE1-CE1 3.42Å; H55-H58 AromaticContact CE1-CG 3.83Å; H55-H58 AromaticContact CE1-ND1 3.49Å; H55-H58 PolarHBondContact CE1-ND1 2.56Å; H55-H58 AromaticContact CE1-NE2 3.71Å; H55-H58 AromaticContact CG-CE1 3.91Å; H55-H58 AromaticContact CG-ND1 3.6Å; H55-H58 PolarHBondContact N-ND1 2.89Å; H55-H58 VanDerWaalsContact N-ND1 3.19Å; H55-H58 AromaticContact ND1-CE1 3.84Å; H55-H58 AromaticContact ND1-CG 3.87Å; H55-H58 PolarHBondContact ND1-N 3.27Å; H55-H58 AromaticContact ND1-ND1 3.46Å; H55-H58 PolarHBondContact ND1-ND1 3.31Å; H55-H58 AromaticContact NE2-CE1 3.24Å; H55-H58 PolarHBondContact NE2-CE1 3Å; H55-H58 AromaticContact NE2-ND1 3.67Å; H55-H58 AromaticContact NE2-NE2 3.74Å; H55-H58 WeakPolarHBondContact O-CB 3.4Å; H55-H58 PolarHBondContact O-N 2.93Å; H55-I59 PolarHBondContact O-N 3.39Å; H55-I59 VanDerWaalsContact O-N 3.11Å; H55-Y608 HydrophobicContact CB-CE2 4.32Å
56Y91.9Very high90.5Very high0 Ų019.4 Ų19.40%011%0.11CC..Hα-helixtrans-54.5-32.5-175.1-63.3-71.2000115.2I59 L60 M601 Y608 P609 P611 I614 L623 F640Y56-I59 HydrophobicContact CD1-CD1 4.37Å; Y56-I59 PolarHBondContact O-N 3.37Å; Y56-L60 VanDerWaalsContact O-CB 3.32Å; Y56-L60 WeakPolarHBondContact O-CB 3.46Å; Y56-L60 PolarHBondContact O-N 3.47Å; Y56-M601 HydrophobicContact CD2-CE 3.65Å; Y56-M601 HydrophobicContact CD2-SD 3.71Å; Y56-M601 HydrophobicContact CE2-CE 4.28Å; Y56-M601 HydrophobicContact CG-CE 4.49Å; Y56-Y608 HydrophobicContact CD2-CD2 4.18Å; Y56-Y608 AromaticContact CE2-CD2 3.89Å; Y56-Y608 HydrophobicContact CE2-CD2 3.89Å; Y56-P609 HydrophobicContact CE2-CG 4.38Å; Y56-P609 WeakPolarHBondContact CE2-O 3.47Å; Y56-P609 PolarHBondContact OH-O 3.08Å; Y56-P611 HydrophobicContact CD1-CG 4.47Å; Y56-P611 HydrophobicContact CD2-CG 4.48Å; Y56-P611 HydrophobicContact CE1-CB 4.04Å; Y56-P611 HydrophobicContact CE1-CG 4.1Å; Y56-P611 HydrophobicContact CE2-CG 4.14Å; Y56-I614 WeakPolarHBondContact OH-CG1 3.24Å; Y56-L623 HydrophobicContact CD1-CD1 4.07Å; Y56-L623 HydrophobicContact CD1-CD2 4.42Å; Y56-L623 HydrophobicContact CE1-CD1 3.92Å; Y56-L623 HydrophobicContact CE1-CD2 4.11Å; Y56-F640 AromaticContact CD1-CD2 3.93Å; Y56-F640 HydrophobicContact CD1-CD2 3.93Å; Y56-F640 AromaticContact CD1-CE2 3.52Å; Y56-F640 HydrophobicContact CD1-CE2 3.52Å; Y56-F640 HydrophobicContact CD1-CZ 4.02Å; Y56-F640 HydrophobicContact CD2-CD2 4.24Å; Y56-F640 HydrophobicContact CD2-CE2 4.44Å; Y56-F640 HydrophobicContact CD2-CG 4.33Å; Y56-F640 HydrophobicContact CE1-CD2 4.13Å; Y56-F640 HydrophobicContact CE1-CE1 4.1Å; Y56-F640 AromaticContact CE1-CE2 3.4Å; Y56-F640 HydrophobicContact CE1-CE2 3.4Å; Y56-F640 VanDerWaalsContact CE1-CE2 3.4Å; Y56-F640 AromaticContact CE1-CZ 3.38Å; Y56-F640 HydrophobicContact CE1-CZ 3.38Å; Y56-F640 HydrophobicContact CE2-CD1 4.15Å; Y56-F640 HydrophobicContact CE2-CD2 4.4Å; Y56-F640 HydrophobicContact CE2-CE1 4.07Å; Y56-F640 HydrophobicContact CE2-CE2 4.33Å; Y56-F640 HydrophobicContact CE2-CG 4.32Å; Y56-F640 HydrophobicContact CE2-CZ 4.16Å; Y56-F640 AromaticContact CG-CD2 3.99Å; Y56-F640 HydrophobicContact CG-CD2 3.99Å; Y56-F640 HydrophobicContact CG-CE2 4.06Å; Y56-F640 AromaticContact CZ-CE1 3.7Å; Y56-F640 AromaticContact CZ-CE2 3.85Å; Y56-F640 AromaticContact CZ-CZ 3.48Å; Y56-F640 VanDerWaalsContact CZ-CZ 3.48Å
57G90.1Very high90.8Very high19 Ų1919.2 Ų19.220%0.19611%0.108CC..Hα-helixtrans-59.8-43.3171.100000114.2H55 A61H55-G57 PolarHBondContact ND1-N 3.3Å; H55-G57 VanDerWaalsContact ND1-N 3.1Å; H55-G57 PolarHBondContact O-N 3.43Å; G57-A61 PolarHBondContact O-N 3.37Å; G57-A61 VanDerWaalsContact O-N 3.12Å
58H91.6Very high91.1Very high67 Ų6718.6 Ų18.631%0.3110%0.104SC..Hα-helixtrans-68.1-39.1175.9-57130.3000111.5P54 H55 G62 W131P54-H58 WeakPolarHBondContact CA-ND1 3.49Å; P54-H58 HydrophobicContact CB-CB 4.03Å; H55-H58 AromaticContact CD2-CE1 3.54Å; H55-H58 AromaticContact CD2-ND1 3.71Å; H55-H58 AromaticContact CE1-CD2 3.96Å; H55-H58 AromaticContact CE1-CE1 3.42Å; H55-H58 PolarHBondContact CE1-CE1 3.31Å; H55-H58 VanDerWaalsContact CE1-CE1 3.42Å; H55-H58 AromaticContact CE1-CG 3.83Å; H55-H58 AromaticContact CE1-ND1 3.49Å; H55-H58 PolarHBondContact CE1-ND1 2.56Å; H55-H58 AromaticContact CE1-NE2 3.71Å; H55-H58 AromaticContact CG-CE1 3.91Å; H55-H58 AromaticContact CG-ND1 3.6Å; H55-H58 PolarHBondContact N-ND1 2.89Å; H55-H58 VanDerWaalsContact N-ND1 3.19Å; H55-H58 AromaticContact ND1-CE1 3.84Å; H55-H58 AromaticContact ND1-CG 3.87Å; H55-H58 PolarHBondContact ND1-N 3.27Å; H55-H58 AromaticContact ND1-ND1 3.46Å; H55-H58 PolarHBondContact ND1-ND1 3.31Å; H55-H58 AromaticContact NE2-CE1 3.24Å; H55-H58 PolarHBondContact NE2-CE1 3Å; H55-H58 AromaticContact NE2-ND1 3.67Å; H55-H58 AromaticContact NE2-NE2 3.74Å; H55-H58 WeakPolarHBondContact O-CB 3.4Å; H55-H58 PolarHBondContact O-N 2.93Å; H58-G62 PolarHBondContact O-N 2.72Å; H58-W131 HydrophobicContact CB-CH2 3.66Å; H58-W131 HydrophobicContact CB-CZ3 4.05Å; H58-W131 AromaticContact CD2-CH2 3.59Å; H58-W131 AromaticContact CE1-CH2 3.99Å; H58-W131 AromaticContact CE1-CZ2 3.9Å; H58-W131 AromaticContact CG-CH2 3.37Å; H58-W131 AromaticContact CG-CZ2 3.97Å; H58-W131 AromaticContact ND1-CH2 3.64Å; H58-W131 AromaticContact ND1-CZ2 3.74Å; H58-W131 AromaticContact NE2-CH2 3.99Å
59I95.3Very high91.4Very high9 Ų917.8 Ų17.85%0.04610%0.099CC..Hα-helixtrans-63.1-48177.6-63.1173.7000109.8H55 Y56 G62 T63 M138 P611 L623 L627H55-I59 PolarHBondContact O-N 3.39Å; H55-I59 VanDerWaalsContact O-N 3.11Å; Y56-I59 HydrophobicContact CD1-CD1 4.37Å; Y56-I59 PolarHBondContact O-N 3.37Å; I59-G62 PolarHBondContact O-N 2.65Å; I59-T63 WeakPolarHBondContact O-CB 3.47Å; I59-T63 PolarHBondContact O-N 3.16Å; I59-T63 PolarHBondContact O-OG1 3.13Å; I59-M138 HydrophobicContact CD1-SD 4.45Å; I59-M138 HydrophobicContact CG2-CE 3.62Å; I59-M138 HydrophobicContact CG2-CG 4.24Å; I59-M138 HydrophobicContact CG2-SD 4.03Å; I59-P611 HydrophobicContact CD1-CB 3.44Å; I59-P611 VanDerWaalsContact CD1-CB 3.44Å; I59-P611 HydrophobicContact CD1-CG 3.98Å; I59-L623 HydrophobicContact CD1-CD2 4.22Å; I59-L623 HydrophobicContact CG2-CD2 4.29Å; I59-L627 HydrophobicContact CB-CD1 4.31Å; I59-L627 HydrophobicContact CG2-CD1 3.76Å
60L96Very high92.2Very high0 Ų015.5 Ų15.50%09%0.088CC..Hα-helixtrans-56.8-53.1176.9169.564.7000112.4Y56 G62 T63 I64 N590 V593 L627 V632 V633Y56-L60 VanDerWaalsContact O-CB 3.32Å; Y56-L60 WeakPolarHBondContact O-CB 3.46Å; Y56-L60 PolarHBondContact O-N 3.47Å; L60-G62 VanDerWaalsContact C-N 3.31Å; L60-G62 PolarHBondContact O-N 2.97Å; L60-T63 PolarHBondContact O-N 3.29Å; L60-I64 HydrophobicContact CD1-CD1 3.89Å; L60-I64 HydrophobicContact CD1-CG1 4.28Å; L60-I64 HydrophobicContact CG-CD1 4.17Å; L60-I64 WeakPolarHBondContact O-CG1 3.43Å; L60-I64 PolarHBondContact O-N 3.42Å; L60-N590 HydrophobicContact CD2-CB 3.97Å; L60-N590 WeakPolarHBondContact CD2-ND2 3.35Å; L60-N590 HydrophobicContact CG-CB 4.32Å; L60-V593 HydrophobicContact CD2-CG2 3.85Å; L60-L627 HydrophobicContact CB-CD1 4.3Å; L60-L627 HydrophobicContact CD1-CB 4.06Å; L60-V632 HydrophobicContact CD1-CG1 3.57Å; L60-V632 HydrophobicContact CD2-CB 4.04Å; L60-V632 HydrophobicContact CD2-CG1 3.45Å; L60-V632 VanDerWaalsContact CD2-CG1 3.45Å; L60-V632 HydrophobicContact CD2-CG2 3.37Å; L60-V632 HydrophobicContact CG-CG1 4.16Å; L60-V633 HydrophobicContact CD1-CG1 4.4Å
61A95.4Very high93Very high6 Ų616.1 Ų16.15%0.059%0.091CC..Hα-helixtrans-59.9-44178.800000110.8G57 T63 I64 K65G57-A61 PolarHBondContact O-N 3.37Å; G57-A61 VanDerWaalsContact O-N 3.12Å; A61-T63 PolarHBondContact O-N 3.01Å; A61-I64 PolarHBondContact O-N 3.06Å; A61-K65 WeakPolarHBondContact O-CB 3.28Å; A61-K65 VanDerWaalsContact O-CE 3.26Å; A61-K65 WeakPolarHBondContact O-CE 3.35Å; A61-K65 VanDerWaalsContact O-CG 3.25Å; A61-K65 WeakPolarHBondContact O-CG 3.46Å; A61-K65 PolarHBondContact O-N 2.95Å
62G96.9Very high94.1Very high7 Ų714.3 Ų14.37%0.0728%0.08CC..Hα-helixtrans-60-41.3175.100000113.5H58 I59 L60 K65 D66H58-G62 PolarHBondContact O-N 2.72Å; I59-G62 PolarHBondContact O-N 2.65Å; L60-G62 VanDerWaalsContact C-N 3.31Å; L60-G62 PolarHBondContact O-N 2.97Å; G62-K65 PolarHBondContact O-N 3.49Å; G62-D66 WeakPolarHBondContact O-CB 3.43Å; G62-D66 PolarHBondContact O-N 3.45Å
63T97.8Very high94.9Very high2 Ų214.2 Ų14.21%0.0128%0.078CC..Hα-helixtrans-64.9-45.2177.4-63.20000111.6I59 L60 A61 K65 D66 I67 R624 I628I59-T63 WeakPolarHBondContact O-CB 3.47Å; I59-T63 PolarHBondContact O-N 3.16Å; I59-T63 PolarHBondContact O-OG1 3.13Å; L60-T63 PolarHBondContact O-N 3.29Å; A61-T63 PolarHBondContact O-N 3.01Å; T63-K65 VanDerWaalsContact C-N 3.34Å; T63-K65 PolarHBondContact O-N 3.29Å; T63-D66 PolarHBondContact O-N 3.23Å; T63-I67 HydrophobicContact CG2-CD1 3.69Å; T63-I67 HydrophobicContact CG2-CG1 4.37Å; T63-I67 WeakPolarHBondContact O-CB 3.41Å; T63-I67 WeakPolarHBondContact O-CD1 3.1Å; T63-I67 VanDerWaalsContact O-CG1 3.23Å; T63-I67 WeakPolarHBondContact O-CG1 3.21Å; T63-I67 PolarHBondContact O-N 3.06Å; T63-R624 HydrophobicContact CG2-CB 3.86Å; T63-R624 HydrophobicContact CG2-CG 3.89Å; T63-I628 HydrophobicContact CG2-CG2 3.74Å
64I97.6Very high95.4Very high0 Ų010.7 Ų10.70%06%0.06CC..Hα-helixtrans-60.1-47.3176.1-66.3166.3000110.3L60 A61 D66 I67 V68 F556 A558 I588 N590 V633 L716L60-I64 HydrophobicContact CD1-CD1 3.89Å; L60-I64 HydrophobicContact CD1-CG1 4.28Å; L60-I64 HydrophobicContact CG-CD1 4.17Å; L60-I64 WeakPolarHBondContact O-CG1 3.43Å; L60-I64 PolarHBondContact O-N 3.42Å; A61-I64 PolarHBondContact O-N 3.06Å; I64-D66 VanDerWaalsContact C-N 3.33Å; I64-D66 PolarHBondContact O-N 3.34Å; I64-I67 PolarHBondContact O-N 3.44Å; I64-V68 WeakPolarHBondContact O-CG2 3.36Å; I64-V68 PolarHBondContact O-N 3.38Å; I64-V68 VanDerWaalsContact O-N 3.09Å; I64-F556 HydrophobicContact CG2-CZ 4.29Å; I64-A558 HydrophobicContact CG2-CB 3.73Å; I64-I588 HydrophobicContact CD1-CG2 4.46Å; I64-I588 HydrophobicContact CG2-CB 4.3Å; I64-I588 HydrophobicContact CG2-CD1 3.88Å; I64-I588 HydrophobicContact CG2-CG2 4.01Å; I64-N590 HydrophobicContact CD1-CB 3.74Å; I64-V633 HydrophobicContact CD1-CG1 4.05Å; I64-V633 HydrophobicContact CG1-CG1 4.32Å; I64-L716 HydrophobicContact CG1-CD2 4.46Å; I64-L716 HydrophobicContact CG2-CD2 4.17Å
65K98.1Very high95.8Very high9 Ų912.4 Ų12.44%0.0397%0.072CC..Hα-helixtrans-61.2-40.7179.5-70-179.4-72.6-173.90111.9F43 D45 A61 G62 T63 T69 A558 E559F43-K65 HydrophobicContact CE2-CB 4Å; F43-K65 HydrophobicContact CE2-CD 3.82Å; F43-K65 HydrophobicContact CE2-CG 3.79Å; F43-K65 HydrophobicContact CZ-CB 3.89Å; F43-K65 HydrophobicContact CZ-CD 3.79Å; F43-K65 HydrophobicContact CZ-CG 4Å; D45-K65 VanDerWaalsContact OD1-CD 3.29Å; D45-K65 WeakPolarHBondContact OD1-CD 3.48Å; D45-K65 VanDerWaalsContact OD1-CE 3.24Å; D45-K65 WeakPolarHBondContact OD1-CE 3.32Å; D45-K65 IonicContact OD1-NZ 2.68Å; D45-K65 PolarHBondContact OD1-NZ 3.07Å; A61-K65 WeakPolarHBondContact O-CB 3.28Å; A61-K65 VanDerWaalsContact O-CE 3.26Å; A61-K65 WeakPolarHBondContact O-CE 3.35Å; A61-K65 VanDerWaalsContact O-CG 3.25Å; A61-K65 WeakPolarHBondContact O-CG 3.46Å; A61-K65 PolarHBondContact O-N 2.95Å; G62-K65 PolarHBondContact O-N 3.49Å; T63-K65 VanDerWaalsContact C-N 3.34Å; T63-K65 PolarHBondContact O-N 3.29Å; K65-T69 WeakPolarHBondContact O-CB 3.22Å; K65-T69 VanDerWaalsContact O-CG2 3.22Å; K65-T69 WeakPolarHBondContact O-CG2 3.43Å; K65-T69 PolarHBondContact O-N 2.9Å; K65-T69 PolarHBondContact O-OG1 3.22Å; K65-A558 WeakPolarHBondContact CD-O 3.42Å; K65-A558 HydrophobicContact CG-CB 4.04Å; K65-E559 IonicContact NZ-OE1 3.37Å; K65-E559 PolarHBondContact NZ-OE1 3.42Å; K65-E559 IonicContact NZ-OE2 2.75Å
66D98.4Very high96.2Very high1 Ų110.7 Ų10.71%0.0057%0.07CC..Hα-helixtrans-68.6-44.1176.6-169.863.8000112.6G62 T63 I64 V68 T69 R70 R140 W141 R624G62-D66 WeakPolarHBondContact O-CB 3.43Å; G62-D66 PolarHBondContact O-N 3.45Å; T63-D66 PolarHBondContact O-N 3.23Å; I64-D66 VanDerWaalsContact C-N 3.33Å; I64-D66 PolarHBondContact O-N 3.34Å; D66-V68 PolarHBondContact O-N 3.08Å; D66-T69 PolarHBondContact O-N 2.88Å; D66-T69 PolarHBondContact O-OG1 3.36Å; D66-R70 VanDerWaalsContact CG-NE 3.34Å; D66-R70 WeakPolarHBondContact O-CB 3.39Å; D66-R70 VanDerWaalsContact O-CG 3.28Å; D66-R70 WeakPolarHBondContact O-CG 3.31Å; D66-R70 PolarHBondContact O-N 3.48Å; D66-R70 IonicContact OD1-CZ 3.83Å; D66-R70 IonicContact OD1-NE 3.26Å; D66-R70 PolarHBondContact OD1-NE 3.11Å; D66-R70 IonicContact OD1-NH2 3.49Å; D66-R70 IonicContact OD2-CZ 2.64Å; D66-R70 IonicContact OD2-NE 2.86Å; D66-R70 PolarHBondContact OD2-NE 3.38Å; D66-R70 IonicContact OD2-NH2 3.8Å; D66-R140 HydrophobicContact CB-CB 4.29Å; D66-R140 HydrophobicContact CB-CG 4.08Å; D66-R140 WeakPolarHBondContact OD1-CA 3.27Å; D66-W141 PolarHBondContact OD1-N 3.41Å; D66-R624 IonicContact OD2-CZ 2.77Å; D66-R624 VanDerWaalsContact OD2-CZ 3.29Å; D66-R624 IonicContact OD2-NH1 3.32Å; D66-R624 PolarHBondContact OD2-NH1 3.36Å; D66-R624 IonicContact OD2-NH2 3.68Å; D66-R624 PolarHBondContact OD2-NH2 2.76Å
67I98.1Very high96.4Very high0 Ų014.2 Ų14.20%09%0.086CC..Hα-helixtrans-57.3-52.6178.1-73.7163.5000110.7T63 I64 T69 R70 F71 I628 M711 L716 P771 F772T63-I67 HydrophobicContact CG2-CD1 3.69Å; T63-I67 HydrophobicContact CG2-CG1 4.37Å; T63-I67 WeakPolarHBondContact O-CB 3.41Å; T63-I67 WeakPolarHBondContact O-CD1 3.1Å; T63-I67 VanDerWaalsContact O-CG1 3.23Å; T63-I67 WeakPolarHBondContact O-CG1 3.21Å; T63-I67 PolarHBondContact O-N 3.06Å; I64-I67 PolarHBondContact O-N 3.44Å; I67-T69 PolarHBondContact O-N 3.38Å; I67-R70 PolarHBondContact O-N 3.06Å; I67-F71 VanDerWaalsContact O-CB 3.3Å; I67-F71 WeakPolarHBondContact O-CB 3.25Å; I67-F71 PolarHBondContact O-N 3.23Å; I67-I628 HydrophobicContact CD1-CD1 3.54Å; I67-I628 HydrophobicContact CD1-CG2 3.9Å; I67-M711 HydrophobicContact CG2-CE 3.79Å; I67-L716 HydrophobicContact CB-CD2 4.44Å; I67-L716 HydrophobicContact CD1-CD2 4.4Å; I67-L716 HydrophobicContact CG2-CD2 4.01Å; I67-L716 HydrophobicContact CG2-CG 4.47Å; I67-P771 WeakPolarHBondContact CG1-O 3.32Å; I67-P771 HydrophobicContact CG2-CB 4.26Å; I67-F772 HydrophobicContact CD1-CD1 3.98Å; I67-F772 HydrophobicContact CD1-CE1 4.27Å; I67-F772 HydrophobicContact CG1-CD1 4.4Å; I67-F772 HydrophobicContact CG2-CD1 4.38Å; I67-F772 HydrophobicContact CG2-CE1 3.96Å; I67-F772 HydrophobicContact CG2-CE2 4.14Å; I67-F772 HydrophobicContact CG2-CZ 3.82Å
68V97.9Very high96.8Very high3 Ų314 Ų142%0.0188%0.08CC..Hα-helixtrans-65.9-39.9-176174.40000111.2I64 D66 F71 A72 F556 I588 Y714 L716I64-V68 WeakPolarHBondContact O-CG2 3.36Å; I64-V68 PolarHBondContact O-N 3.38Å; I64-V68 VanDerWaalsContact O-N 3.09Å; D66-V68 PolarHBondContact O-N 3.08Å; V68-F71 PolarHBondContact O-N 3.38Å; V68-A72 WeakPolarHBondContact O-CB 3.36Å; V68-A72 PolarHBondContact O-N 3.16Å; V68-F556 HydrophobicContact CB-CD1 4.06Å; V68-F556 HydrophobicContact CB-CE1 3.55Å; V68-F556 HydrophobicContact CB-CE2 4.38Å; V68-F556 HydrophobicContact CB-CZ 3.72Å; V68-F556 HydrophobicContact CG1-CD1 3.53Å; V68-F556 HydrophobicContact CG1-CD2 4.08Å; V68-F556 HydrophobicContact CG1-CE1 3.57Å; V68-F556 HydrophobicContact CG1-CE2 4.11Å; V68-F556 HydrophobicContact CG1-CG 3.79Å; V68-F556 HydrophobicContact CG1-CZ 3.85Å; V68-F556 HydrophobicContact CG2-CE1 4.05Å; V68-F556 HydrophobicContact CG2-CE2 4.1Å; V68-F556 HydrophobicContact CG2-CZ 3.65Å; V68-I588 HydrophobicContact CG2-CD1 3.97Å; V68-Y714 HydrophobicContact CG1-CD1 4.22Å; V68-Y714 HydrophobicContact CG1-CE1 3.84Å; V68-L716 HydrophobicContact CG2-CD1 4.16Å; V68-L716 HydrophobicContact CG2-CD2 4.5Å
69T98.1Very high97.1Very high3 Ų310.9 Ų10.92%0.0187%0.065CC..Hα-helixtrans-74.7-31.7-179.1560000113.2F43 K65 D66 I67 H73 V79 R81F43-T69 HydrophobicContact CB-CG2 4.03Å; F43-T69 HydrophobicContact CD1-CG2 3.85Å; F43-T69 HydrophobicContact CD2-CG2 4.13Å; F43-T69 HydrophobicContact CE1-CG2 4.38Å; F43-T69 HydrophobicContact CG-CG2 3.71Å; K65-T69 WeakPolarHBondContact O-CB 3.22Å; K65-T69 VanDerWaalsContact O-CG2 3.22Å; K65-T69 WeakPolarHBondContact O-CG2 3.43Å; K65-T69 PolarHBondContact O-N 2.9Å; K65-T69 PolarHBondContact O-OG1 3.22Å; D66-T69 PolarHBondContact O-N 2.88Å; D66-T69 PolarHBondContact O-OG1 3.36Å; I67-T69 PolarHBondContact O-N 3.38Å; T69-H73 PolarHBondContact O-N 3.42Å; T69-H73 VanDerWaalsContact O-N 3.13Å; T69-V79 HydrophobicContact CG2-CG1 3.85Å; T69-R81 VanDerWaalsContact C-NH2 3.35Å; T69-R81 HydrophobicContact CG2-CG 4.42Å; T69-R81 PolarHBondContact O-NH2 3.33Å
70R98.1Very high97Very high4 Ų413.5 Ų13.52%0.0158%0.08CC..Hα-helixtrans-66-46.6168.1-73.7178.7-175.6-80.5-1.4111.2D66 I67 A72 H73 Q74 G139 W141 P771 H802D66-R70 VanDerWaalsContact CG-NE 3.34Å; D66-R70 WeakPolarHBondContact O-CB 3.39Å; D66-R70 VanDerWaalsContact O-CG 3.28Å; D66-R70 WeakPolarHBondContact O-CG 3.31Å; D66-R70 PolarHBondContact O-N 3.48Å; D66-R70 IonicContact OD1-CZ 3.83Å; D66-R70 IonicContact OD1-NE 3.26Å; D66-R70 PolarHBondContact OD1-NE 3.11Å; D66-R70 IonicContact OD1-NH2 3.49Å; D66-R70 IonicContact OD2-CZ 2.64Å; D66-R70 IonicContact OD2-NE 2.86Å; D66-R70 PolarHBondContact OD2-NE 3.38Å; D66-R70 IonicContact OD2-NH2 3.8Å; I67-R70 PolarHBondContact O-N 3.06Å; R70-A72 PolarHBondContact O-N 3.16Å; R70-H73 WeakPolarHBondContact O-CB 3.28Å; R70-H73 PolarHBondContact O-N 2.97Å; R70-Q74 WeakPolarHBondContact O-CG 3.47Å; R70-Q74 PolarHBondContact O-N 2.84Å; R70-G139 PolarHBondContact NH2-O 3.22Å; R70-W141 VanDerWaalsContact NH1-CD2 3.32Å; R70-P771 HydrophobicContact CB-CB 3.96Å; R70-P771 HydrophobicContact CB-CG 4.29Å; R70-H802 PolarHBondContact NH1-CE1 2.85Å; R70-H802 VanDerWaalsContact NH1-CE1 3.35Å; R70-H802 PolarHBondContact NH1-ND1 3.26Å
71F97.8Very high97Very high13 Ų1313.8 Ų13.86%0.0578%0.08CC..Hα-helixtrans-56.8-47.6175.3170.8-98.9000111.9I67 V68 H73 Q74 S75 F707 M711 D712 P771 L806I67-F71 VanDerWaalsContact O-CB 3.3Å; I67-F71 WeakPolarHBondContact O-CB 3.25Å; I67-F71 PolarHBondContact O-N 3.23Å; V68-F71 PolarHBondContact O-N 3.38Å; F71-H73 VanDerWaalsContact C-N 3.34Å; F71-H73 PolarHBondContact O-N 3.14Å; F71-Q74 PolarHBondContact O-N 2.98Å; F71-S75 VanDerWaalsContact O-CB 3.29Å; F71-S75 WeakPolarHBondContact O-CB 3.26Å; F71-S75 PolarHBondContact O-N 3.02Å; F71-S75 PolarHBondContact O-OG 2.9Å; F71-F707 AromaticContact CD2-CE1 3.8Å; F71-F707 HydrophobicContact CD2-CE1 3.8Å; F71-F707 HydrophobicContact CD2-CZ 4.26Å; F71-F707 HydrophobicContact CE2-CD1 4.39Å; F71-F707 AromaticContact CE2-CE1 3.76Å; F71-F707 HydrophobicContact CE2-CE1 3.76Å; F71-M711 HydrophobicContact CB-CE 3.74Å; F71-M711 HydrophobicContact CD1-CB 4.13Å; F71-M711 HydrophobicContact CD1-CE 4.16Å; F71-M711 HydrophobicContact CD2-CB 3.84Å; F71-M711 HydrophobicContact CD2-CE 3.97Å; F71-M711 HydrophobicContact CD2-CG 4.1Å; F71-M711 HydrophobicContact CE1-CB 3.74Å; F71-M711 HydrophobicContact CE2-CB 3.44Å; F71-M711 VanDerWaalsContact CE2-CB 3.44Å; F71-M711 HydrophobicContact CE2-CG 4.04Å; F71-M711 HydrophobicContact CG-CB 4.19Å; F71-M711 HydrophobicContact CG-CE 3.67Å; F71-M711 HydrophobicContact CZ-CB 3.39Å; F71-M711 HydrophobicContact CZ-CG 4.46Å; F71-D712 WeakPolarHBondContact CZ-OD1 3.16Å; F71-P771 HydrophobicContact CB-CG 4.45Å; F71-L806 HydrophobicContact CD2-CD1 3.49Å; F71-L806 VanDerWaalsContact CD2-CD1 3.49Å; F71-L806 HydrophobicContact CE2-CD1 3.41Å; F71-L806 VanDerWaalsContact CE2-CD1 3.41Å; F71-L806 HydrophobicContact CZ-CD1 4.5Å
72A97.8Very high97Very high3 Ų315.5 Ų15.53%0.0259%0.086CC..Hα-helixtrans-59.9-43.2176.800000111.7Y41 V68 R70 S75 G76 F77 V79Y41-A72 HydrophobicContact CD1-CB 3.93Å; Y41-A72 HydrophobicContact CD2-CB 4.13Å; Y41-A72 HydrophobicContact CE1-CB 4.07Å; Y41-A72 HydrophobicContact CE2-CB 4.26Å; Y41-A72 HydrophobicContact CG-CB 3.96Å; V68-A72 WeakPolarHBondContact O-CB 3.36Å; V68-A72 PolarHBondContact O-N 3.16Å; R70-A72 PolarHBondContact O-N 3.16Å; A72-S75 PolarHBondContact O-N 3.2Å; A72-G76 PolarHBondContact O-N 2.98Å; A72-F77 WeakPolarHBondContact O-CB 3.44Å; A72-F77 WeakPolarHBondContact O-CD2 3.5Å; A72-F77 PolarHBondContact O-N 2.71Å; A72-F77 VanDerWaalsContact O-N 3.13Å; A72-V79 HydrophobicContact CB-CG2 3.85Å
73H96.5Very high97Very high4 Ų415.2 Ų15.22%0.0198%0.082CC..Hα-helixtrans-59.9-49.5175.6176.178.9000112.5C31 R38 T69 R70 F71 S75 G76 V79C31-H73 PolarHBondContact O-CE1 2.92Å; C31-H73 VanDerWaalsContact O-CE1 3.27Å; C31-H73 VanDerWaalsContact SG-CD2 3.54Å; C31-H73 PolarHBondContact SG-CE1 3.18Å; C31-H73 PolarHBondContact SG-NE2 2.93Å; R38-H73 PolarHBondContact NH1-O 2.82Å; T69-H73 PolarHBondContact O-N 3.42Å; T69-H73 VanDerWaalsContact O-N 3.13Å; R70-H73 WeakPolarHBondContact O-CB 3.28Å; R70-H73 PolarHBondContact O-N 2.97Å; F71-H73 VanDerWaalsContact C-N 3.34Å; F71-H73 PolarHBondContact O-N 3.14Å; H73-S75 PolarHBondContact O-N 3.2Å; H73-G76 PolarHBondContact O-N 3.39Å; H73-V79 HydrophobicContact CB-CG2 4.31Å
74Q95.6Very high96.8Very high3 Ų315.1 Ų15.11%0.0148%0.082CC..Hα-helixtrans-72.7-9.1-179.9-61.2-178.7-71.200113.3R70 F71 P771 L804 M805 L806R70-Q74 WeakPolarHBondContact O-CG 3.47Å; R70-Q74 PolarHBondContact O-N 2.84Å; F71-Q74 PolarHBondContact O-N 2.98Å; Q74-P771 VanDerWaalsContact OE1-CG 3.24Å; Q74-L804 WeakPolarHBondContact CG-O 3.36Å; Q74-L804 PolarHBondContact NE2-O 3.24Å; Q74-M805 CarbonylContact O-C 3.42Å; Q74-M805 WeakPolarHBondContact O-CA 3.39Å; Q74-L806 HydrophobicContact CB-CD1 4.45Å; Q74-L806 HydrophobicContact CB-CD2 4.4Å; Q74-L806 HydrophobicContact CB-CG 3.82Å; Q74-L806 PolarHBondContact O-N 2.92Å
75S95.5Very high96.7Very high48 Ų4815.1 Ų15.134%0.3368%0.082SC..THydrogen-bonded Turntrans-93.36.1170.3-57.10000112.8F71 A72 H73F71-S75 VanDerWaalsContact O-CB 3.29Å; F71-S75 WeakPolarHBondContact O-CB 3.26Å; F71-S75 PolarHBondContact O-N 3.02Å; F71-S75 PolarHBondContact O-OG 2.9Å; A72-S75 PolarHBondContact O-N 3.2Å; H73-S75 PolarHBondContact O-N 3.2Å
76G95.1Very high96.4Very high24 Ų2414.8 Ų14.825%0.2478%0.08CC..THydrogen-bonded Turntrans98.619.2172.400000115.5R38 A72 H73R38-G76 WeakPolarHBondContact CB-O 3.44Å; R38-G76 WeakPolarHBondContact CD-O 3.15Å; A72-G76 PolarHBondContact O-N 2.98Å; H73-G76 PolarHBondContact O-N 3.39Å
77F97.4Very high96.2Very high74 Ų7414.7 Ų14.733%0.3258%0.08SC..  trans-102.8158.1176.8-64.7-89.7000113.5P39 Y41 A72 V79P39-F77 HydrophobicContact CB-CD1 4Å; P39-F77 HydrophobicContact CB-CE1 4.16Å; P39-F77 CarbonylContact O-C 3.55Å; P39-F77 WeakPolarHBondContact O-CA 3.25Å; P39-F77 WeakPolarHBondContact O-CD1 3.4Å; Y41-F77 HydrophobicContact CD2-CG 4.47Å; A72-F77 WeakPolarHBondContact O-CB 3.44Å; A72-F77 WeakPolarHBondContact O-CD2 3.5Å; A72-F77 PolarHBondContact O-N 2.71Å; A72-F77 VanDerWaalsContact O-N 3.13Å; F77-V79 HydrophobicContact CB-CG2 4.28Å
78H97.4Very high95.9Very high15 Ų1514.7 Ų14.77%0.0698%0.08CC..BIsolated β-bridgetrans-91.7125.4161.8-171.757.8000109.4L32 S35 R38 P39 R40 Y41 D80L32-H78 PolarHBondContact O-CE1 2.81Å; L32-H78 VanDerWaalsContact O-CE1 3.28Å; L32-H78 PolarHBondContact O-ND1 2.97Å; S35-H78 WeakPolarHBondContact O-CB 3.43Å; S35-H78 PolarHBondContact OG-ND1 2.87Å; R38-H78 HydrophobicContact CB-CB 4.43Å; P39-H78 PolarHBondContact O-N 2.8Å; R40-H78 WeakPolarHBondContact CA-O 3.35Å; Y41-H78 PolarHBondContact N-O 2.8Å; H78-D80 IonicContact CD2-OD2 3.94Å; H78-D80 IonicContact NE2-OD1 2.76Å; H78-D80 IonicContact NE2-OD2 3.79Å
79V97.4Very high95.2Very high1 Ų115 Ų151%0.0068%0.084CC..  trans-128.499.5-173.1-166.40000109.6L32 Y41 F43 T69 A72 H73 F77 R81L32-V79 WeakPolarHBondContact CD2-O 3.43Å; Y41-V79 HydrophobicContact CD1-CG1 4.17Å; Y41-V79 HydrophobicContact CD1-CG2 4.43Å; F43-V79 HydrophobicContact CB-CG1 4.47Å; T69-V79 HydrophobicContact CG2-CG1 3.85Å; A72-V79 HydrophobicContact CB-CG2 3.85Å; H73-V79 HydrophobicContact CB-CG2 4.31Å; F77-V79 HydrophobicContact CB-CG2 4.28Å; V79-R81 HydrophobicContact CG1-CG 4.07Å
80D94.3Very high94.2Very high64 Ų6417.5 Ų17.534%0.34210%0.097SC..  trans-70.6128.7170.7-71.1-51.9000109.9H78H78-D80 IonicContact CD2-OD2 3.94Å; H78-D80 IonicContact NE2-OD1 2.76Å; H78-D80 IonicContact NE2-OD2 3.79Å
81R96.4Very high93.3Very high5 Ų519.4 Ų19.42%0.01911%0.11CC..  trans-126.694.1-177-54.9169.9-158.1172.2-0108.1F28 F43 T69 V79 W141 I142 D143F28-R81 HydrophobicContact CZ-CB 4.13Å; F43-R81 HydrophobicContact CD1-CG 4.44Å; T69-R81 VanDerWaalsContact C-NH2 3.35Å; T69-R81 HydrophobicContact CG2-CG 4.42Å; T69-R81 PolarHBondContact O-NH2 3.33Å; V79-R81 HydrophobicContact CG1-CG 4.07Å; R81-W141 WeakPolarHBondContact CD-O 3.41Å; R81-I142 HydrophobicContact CB-CB 4.48Å; R81-I142 HydrophobicContact CB-CG1 4.11Å; R81-I142 WeakPolarHBondContact O-CG1 3.46Å; R81-D143 VanDerWaalsContact O-CB 3.3Å; R81-D143 WeakPolarHBondContact O-CB 3.41Å; R81-D143 PolarHBondContact O-N 2.98Å
82R94.9Very high92.6Very high43 Ų4318.9 Ų18.916%0.16211%0.107CC..EExtended strand (participates in β ladder)trans-105.2128.9179.5-64.3177.965.6-159.8-3109.9N146 D147 Q537R82-N146 PolarHBondContact NE-O 2.96Å; R82-N146 PolarHBondContact NH2-O 3.07Å; R82-D147 PolarHBondContact NH2-O 3.31Å; R82-Q537 PolarHBondContact NH1-O 3.4Å; R82-Q537 PolarHBondContact NH2-O 3.34Å
83F96.1Very high91.9Very high0 Ų018.7 Ų18.70%011%0.106CC..EExtended strand (participates in β ladder)trans-72.5147.5176.1-157.3-84.9000110.1P48 W85 W131 V135 I142 D143 F144 D147 Y148P48-F83 HydrophobicContact CG-CE1 3.75Å; P48-F83 HydrophobicContact CG-CZ 3.76Å; F83-W85 AromaticContact CD1-CD1 3.98Å; F83-W85 HydrophobicContact CD1-CD2 4.22Å; F83-W85 AromaticContact CD1-CE2 3.63Å; F83-W85 HydrophobicContact CD1-CG 4.45Å; F83-W85 AromaticContact CD1-CZ2 3.96Å; F83-W85 HydrophobicContact CD1-CZ2 3.96Å; F83-W85 AromaticContact CD1-NE1 3.48Å; F83-W85 AromaticContact CE1-CD2 3.89Å; F83-W85 HydrophobicContact CE1-CD2 3.89Å; F83-W85 AromaticContact CE1-CE2 3.41Å; F83-W85 VanDerWaalsContact CE1-CE2 3.41Å; F83-W85 HydrophobicContact CE1-CE3 4.27Å; F83-W85 AromaticContact CE1-CH2 3.88Å; F83-W85 HydrophobicContact CE1-CH2 3.88Å; F83-W85 AromaticContact CE1-CZ2 3.4Å; F83-W85 HydrophobicContact CE1-CZ2 3.4Å; F83-W85 VanDerWaalsContact CE1-CZ2 3.4Å; F83-W85 HydrophobicContact CE1-CZ3 4.29Å; F83-W85 AromaticContact CE1-NE1 3.81Å; F83-W85 HydrophobicContact CZ-CH2 4.38Å; F83-W85 HydrophobicContact CZ-CZ2 4.14Å; F83-W131 AromaticContact CZ-CE3 3.95Å; F83-W131 HydrophobicContact CZ-CE3 3.95Å; F83-W131 HydrophobicContact CZ-CZ3 4.27Å; F83-V135 HydrophobicContact CE2-CG2 4.2Å; F83-I142 HydrophobicContact CB-CD1 4.18Å; F83-I142 HydrophobicContact CB-CG1 4.05Å; F83-I142 HydrophobicContact CD2-CD1 3.87Å; F83-I142 HydrophobicContact CD2-CG1 4.21Å; F83-I142 HydrophobicContact CD2-CG2 3.79Å; F83-I142 HydrophobicContact CG-CD1 4.43Å; F83-D143 WeakPolarHBondContact CB-O 3.31Å; F83-D143 PolarHBondContact N-O 2.91Å; F83-F144 HydrophobicContact CB-CD1 4.14Å; F83-F144 HydrophobicContact CB-CE1 4.14Å; F83-F144 HydrophobicContact CB-CG 4.47Å; F83-F144 HydrophobicContact CB-CZ 4.47Å; F83-F144 HydrophobicContact CD1-CD1 4.31Å; F83-F144 AromaticContact CD1-CE1 3.76Å; F83-F144 HydrophobicContact CD1-CE1 3.76Å; F83-F144 HydrophobicContact CD1-CZ 4.38Å; F83-F144 HydrophobicContact CD2-CD1 4.41Å; F83-F144 AromaticContact CD2-CE1 3.6Å; F83-F144 HydrophobicContact CD2-CE1 3.6Å; F83-F144 HydrophobicContact CD2-CE2 4.01Å; F83-F144 AromaticContact CD2-CZ 3.36Å; F83-F144 HydrophobicContact CD2-CZ 3.36Å; F83-F144 HydrophobicContact CE1-CE1 4.04Å; F83-F144 AromaticContact CE2-CE1 3.86Å; F83-F144 HydrophobicContact CE2-CE1 3.86Å; F83-F144 HydrophobicContact CE2-CE2 4.46Å; F83-F144 AromaticContact CE2-CZ 3.53Å; F83-F144 HydrophobicContact CE2-CZ 3.53Å; F83-F144 HydrophobicContact CG-CD1 4.04Å; F83-F144 AromaticContact CG-CE1 3.55Å; F83-F144 HydrophobicContact CG-CE1 3.55Å; F83-F144 AromaticContact CG-CZ 3.83Å; F83-F144 HydrophobicContact CG-CZ 3.83Å; F83-F144 HydrophobicContact CZ-CE1 4.08Å; F83-F144 HydrophobicContact CZ-CZ 4.14Å; F83-D147 HydrophobicContact CB-CB 4.29Å; F83-D147 WeakPolarHBondContact O-CA 3.43Å; F83-D147 VanDerWaalsContact O-CB 3.3Å; F83-D147 WeakPolarHBondContact O-CB 3.37Å; F83-Y148 VanDerWaalsContact O-CD1 3.31Å; F83-Y148 WeakPolarHBondContact O-CD1 3.39Å; F83-Y148 PolarHBondContact O-N 3.23Å
84G94.7Very high91.2Very high0 Ų021.3 Ų21.30%012%0.116CC..EExtended strand (participates in β ladder)trans-118.5148.9178.600000113.6P48 Y148P48-G84 VanDerWaalsContact CD-O 3.3Å; P48-G84 WeakPolarHBondContact CD-O 3.22Å; G84-Y148 CarbonylContact C-O 3.6Å; G84-Y148 WeakPolarHBondContact CA-O 3.09Å; G84-Y148 WeakPolarHBondContact CA-OH 3.28Å
85W94.8Very high90.4Very high0 Ų023.9 Ų23.90%013%0.128CC..EExtended strand (participates in β ladder)trans-130.8126.5172.4-67.7100.8000112.4P48 A50 F83 C87 S128 W131 F144 D147 Y148 K149 T150P48-W85 HydrophobicContact CG-CE3 4.25Å; P48-W85 HydrophobicContact CG-CZ3 4.1Å; A50-W85 HydrophobicContact CB-CE3 3.69Å; A50-W85 HydrophobicContact CB-CZ3 3.93Å; F83-W85 AromaticContact CD1-CD1 3.98Å; F83-W85 HydrophobicContact CD1-CD2 4.22Å; F83-W85 AromaticContact CD1-CE2 3.63Å; F83-W85 HydrophobicContact CD1-CG 4.45Å; F83-W85 AromaticContact CD1-CZ2 3.96Å; F83-W85 HydrophobicContact CD1-CZ2 3.96Å; F83-W85 AromaticContact CD1-NE1 3.48Å; F83-W85 AromaticContact CE1-CD2 3.89Å; F83-W85 HydrophobicContact CE1-CD2 3.89Å; F83-W85 AromaticContact CE1-CE2 3.41Å; F83-W85 VanDerWaalsContact CE1-CE2 3.41Å; F83-W85 HydrophobicContact CE1-CE3 4.27Å; F83-W85 AromaticContact CE1-CH2 3.88Å; F83-W85 HydrophobicContact CE1-CH2 3.88Å; F83-W85 AromaticContact CE1-CZ2 3.4Å; F83-W85 HydrophobicContact CE1-CZ2 3.4Å; F83-W85 VanDerWaalsContact CE1-CZ2 3.4Å; F83-W85 HydrophobicContact CE1-CZ3 4.29Å; F83-W85 AromaticContact CE1-NE1 3.81Å; F83-W85 HydrophobicContact CZ-CH2 4.38Å; F83-W85 HydrophobicContact CZ-CZ2 4.14Å; W85-C87 VanDerWaalsContact CB-SG 3.5Å; W85-C87 PolarHBondContact O-N 3.41Å; W85-S128 VanDerWaalsContact CZ2-CA 3.44Å; W85-S128 PolarHBondContact NE1-OG 2.98Å; W85-W131 HydrophobicContact CH2-CB 3.46Å; W85-W131 VanDerWaalsContact CH2-CB 3.46Å; W85-W131 AromaticContact CH2-CD1 3.87Å; W85-W131 AromaticContact CH2-CD2 3.81Å; W85-W131 HydrophobicContact CH2-CD2 3.81Å; W85-W131 HydrophobicContact CH2-CE3 4.31Å; W85-W131 AromaticContact CH2-CG 3.46Å; W85-W131 HydrophobicContact CH2-CG 3.46Å; W85-W131 VanDerWaalsContact CH2-CG 3.46Å; W85-W131 HydrophobicContact CZ2-CB 3.9Å; W85-W131 HydrophobicContact CZ2-CG 4.36Å; W85-W131 HydrophobicContact CZ3-CD2 4.31Å; W85-W131 HydrophobicContact CZ3-CG 4.25Å; W85-F144 HydrophobicContact CZ2-CE1 4.18Å; W85-D147 VanDerWaalsContact CD1-OD2 3.23Å; W85-D147 PolarHBondContact NE1-OD2 2.82Å; W85-Y148 PolarHBondContact N-O 2.81Å; W85-K149 HydrophobicContact CB-CB 4.37Å; W85-K149 HydrophobicContact CB-CG 3.96Å; W85-K149 HydrophobicContact CG-CG 4.26Å; W85-T150 PolarHBondContact O-N 3.17Å; W85-T150 VanDerWaalsContact O-N 3.09Å
86D92.9Very high90.1Very high2 Ų222 Ų221%0.01111%0.114CC..BIsolated β-bridgetrans-89.1103166.8-164.3-20.3000107.4P47 P48 F49 A50P47-D86 HydrophobicContact CB-CB 4.26Å; P47-D86 HydrophobicContact CG-CB 4.4Å; P48-D86 PolarHBondContact O-N 3.16Å; F49-D86 WeakPolarHBondContact CA-O 3.47Å; F49-D86 HydrophobicContact CD1-CB 3.86Å; F49-D86 HydrophobicContact CE1-CB 3.95Å; F49-D86 VanDerWaalsContact CE1-OD2 3.25Å; F49-D86 WeakPolarHBondContact CE1-OD2 3.24Å; A50-D86 PolarHBondContact N-O 3.41Å
87C94.3Very high89.5Confident0 Ų021 Ų210%010%0.103CC..  trans-99.2-8.5-168.3-60.20000113.5W85 V124 T150 L151 W463W85-C87 VanDerWaalsContact CB-SG 3.5Å; W85-C87 PolarHBondContact O-N 3.41Å; C87-V124 HydrophobicContact CB-CG1 3.89Å; C87-V124 HydrophobicContact CB-CG2 4.19Å; C87-V124 WeakPolarHBondContact SG-CG1 3.24Å; C87-T150 PolarHBondContact N-OG1 3.42Å; C87-L151 HydrophobicContact CB-CB 4.03Å; C87-L151 HydrophobicContact CB-CD2 3.75Å; C87-L151 HydrophobicContact CB-CG 3.9Å; C87-W463 PolarHBondContact O-NE1 3.34Å
88H90.9Very high88.8Confident0 Ų024.2 Ų24.20%012%0.117CC..  trans-114.7173-168.2-71.4152.2000113.3T150 W463 H499 E529H88-T150 PolarHBondContact CE1-O 3.09Å; H88-W463 AromaticContact CD2-CD1 3.99Å; H88-W463 AromaticContact CD2-CD2 3.99Å; H88-W463 AromaticContact CD2-CE2 3.54Å; H88-W463 AromaticContact CD2-CZ2 3.81Å; H88-W463 AromaticContact CD2-NE1 3.56Å; H88-W463 AromaticContact NE2-CZ2 3.99Å; H88-H499 AromaticContact CE1-NE2 3.78Å; H88-H499 AromaticContact NE2-CD2 3.85Å; H88-H499 AromaticContact NE2-CE1 3.91Å; H88-H499 AromaticContact NE2-NE2 3Å; H88-H499 PolarHBondContact NE2-NE2 2.9Å; H88-E529 VanDerWaalsContact CB-OE2 3.3Å; H88-E529 WeakPolarHBondContact CB-OE2 3.44Å; H88-E529 IonicContact CE1-OE2 3.7Å; H88-E529 IonicContact CG-OE1 2.64Å; H88-E529 IonicContact CG-OE2 3.81Å; H88-E529 VanDerWaalsContact ND1-CD 3.3Å; H88-E529 IonicContact ND1-OE1 2.63Å; H88-E529 PolarHBondContact ND1-OE1 3.27Å; H88-E529 VanDerWaalsContact ND1-OE1 3.12Å; H88-E529 IonicContact ND1-OE2 3.67Å; H88-E529 PolarHBondContact ND1-OE2 3.37Å
89G83.8Confident88.3Confident9 Ų928.2 Ų28.29%0.09314%0.143CC..SBendtrans84.7-172.5167.900000114.9P91 V92 E93 W463G89-P91 VanDerWaalsContact C-CD 3.42Å; G89-V92 PolarHBondContact O-N 2.94Å; G89-E93 PolarHBondContact O-N 3.41Å; G89-W463 PolarHBondContact N-O 2.77Å
90L76.1Confident87.8Confident55 Ų5531.9 Ų31.929%0.28816%0.162SC..Hα-helixtrans-55.3-39.1-169.4-175.663.9000114.5V92 E93 Y94L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 PolarHBondContact O-N 2.87Å; L90-E93 PolarHBondContact O-N 3.27Å; L90-Y94 WeakPolarHBondContact O-CB 3.33Å; L90-Y94 PolarHBondContact O-N 3.05Å
91P79.1Confident87.3Confident45 Ų4531 Ų3129%0.29217%0.169SC..Hα-helixtrans-58.9-40.7-179.7-2838.4000113.7F49 T51 G89F49-P91 HydrophobicContact CD1-CB 4.08Å; F49-P91 HydrophobicContact CD1-CG 3.99Å; F49-P91 HydrophobicContact CD2-CG 4.47Å; F49-P91 HydrophobicContact CE1-CB 4.44Å; F49-P91 HydrophobicContact CE1-CG 3.85Å; F49-P91 HydrophobicContact CE2-CG 4.35Å; F49-P91 HydrophobicContact CG-CB 4.23Å; F49-P91 HydrophobicContact CG-CG 4.31Å; F49-P91 HydrophobicContact CZ-CG 4.05Å; T51-P91 VanDerWaalsContact CG2-C 3.49Å; T51-P91 HydrophobicContact CG2-CB 3.78Å; T51-P91 WeakPolarHBondContact CG2-O 3.48Å; G89-P91 VanDerWaalsContact C-CD 3.42Å
92V84.3Confident86.6Confident1 Ų131.6 Ų31.61%0.00617%0.172CC..Hα-helixtrans-75-48.6179.6176.50000110.6T51 G89 L90 Y94 E95 I96 C120 I123 V124T51-V92 HydrophobicContact CG2-CB 4.35Å; T51-V92 HydrophobicContact CG2-CG2 3.63Å; G89-V92 PolarHBondContact O-N 2.94Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 PolarHBondContact O-N 2.87Å; V92-Y94 PolarHBondContact O-N 3.15Å; V92-E95 PolarHBondContact O-N 2.73Å; V92-I96 PolarHBondContact O-N 3.38Å; V92-C120 HydrophobicContact CG1-CB 4.12Å; V92-I123 HydrophobicContact CG1-CG2 3.82Å; V92-V124 HydrophobicContact CG1-CG2 3.99Å; V92-V124 HydrophobicContact CG2-CG2 4.2Å
93E83Confident85.6Confident0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-59.7-34.9177.7-71.6-175133.400112.2G89 L90 I96 D97 Y116 R461 Y462 W463G89-E93 PolarHBondContact O-N 3.41Å; L90-E93 PolarHBondContact O-N 3.27Å; E93-I96 PolarHBondContact O-N 3.27Å; E93-D97 VanDerWaalsContact O-CB 3.3Å; E93-D97 WeakPolarHBondContact O-CB 3.47Å; E93-D97 VanDerWaalsContact O-CG 3.23Å; E93-D97 PolarHBondContact O-N 3.06Å; E93-Y116 WeakPolarHBondContact CB-OH 3.4Å; E93-Y116 HydrophobicContact CG-CE1 4.04Å; E93-Y116 PolarHBondContact O-OH 3.2Å; E93-R461 VanDerWaalsContact CB-NH2 3.3Å; E93-R461 WeakPolarHBondContact OE2-CB 3.45Å; E93-R461 IonicContact OE2-CZ 3.15Å; E93-R461 IonicContact OE2-NE 2.71Å; E93-R461 PolarHBondContact OE2-NE 3.39Å; E93-R461 IonicContact OE2-NH2 2.99Å; E93-R461 PolarHBondContact OE2-NH2 3.41Å; E93-Y462 PolarHBondContact OE1-N 3.43Å; E93-W463 HydrophobicContact CG-CB 3.63Å; E93-W463 HydrophobicContact CG-CG 4.47Å; E93-W463 PolarHBondContact OE1-N 2.99Å
94Y80.7Confident84.4Confident59 Ų5936.4 Ų36.423%0.23120%0.196CC..Hα-helixtrans-65.5-39.8178.9178.8-98.2000112.6L90 V92 D97 K98 W401L90-Y94 WeakPolarHBondContact O-CB 3.33Å; L90-Y94 PolarHBondContact O-N 3.05Å; V92-Y94 PolarHBondContact O-N 3.15Å; Y94-D97 PolarHBondContact O-N 3.23Å; Y94-K98 WeakPolarHBondContact O-CB 3.49Å; Y94-K98 PolarHBondContact O-N 2.87Å; Y94-W401 HydrophobicContact CD2-CZ2 4.4Å; Y94-W401 AromaticContact CE2-CH2 3.98Å; Y94-W401 HydrophobicContact CE2-CH2 3.98Å; Y94-W401 AromaticContact CE2-CZ2 3.8Å; Y94-W401 HydrophobicContact CE2-CZ2 3.8Å
95E80.1Confident83.6Confident57 Ų5738.1 Ų38.127%0.26621%0.208SC..Hα-helixtrans-68-37175.2-70.4-61.1143.100111.4V92 T99 I123V92-E95 PolarHBondContact O-N 2.73Å; E95-T99 WeakPolarHBondContact O-CB 3.48Å; E95-T99 PolarHBondContact O-N 3.33Å; E95-T99 PolarHBondContact O-OG1 3.11Å; E95-I123 HydrophobicContact CB-CD1 4.08Å
96I87.7Confident82.9Confident8 Ų844 Ų444%0.04124%0.235CC..Hα-helixtrans-67.1-46.6172.5-66.2-56.2000111.7V92 E93 K98 T99 L100 Y116 Q119 C120 I123V92-I96 PolarHBondContact O-N 3.38Å; E93-I96 PolarHBondContact O-N 3.27Å; I96-K98 PolarHBondContact O-N 3.06Å; I96-T99 PolarHBondContact O-N 3.41Å; I96-L100 HydrophobicContact CG2-CD1 3.6Å; I96-L100 HydrophobicContact CG2-CG 4.19Å; I96-L100 WeakPolarHBondContact O-CB 3.39Å; I96-L100 PolarHBondContact O-N 3.05Å; I96-Y116 HydrophobicContact CG2-CD2 4.33Å; I96-Y116 HydrophobicContact CG2-CE2 3.88Å; I96-Q119 HydrophobicContact CD1-CB 4.28Å; I96-Q119 HydrophobicContact CG2-CB 4.26Å; I96-C120 HydrophobicContact CG1-CB 4.47Å; I96-I123 HydrophobicContact CD1-CB 3.94Å; I96-I123 HydrophobicContact CD1-CD1 3.95Å; I96-I123 HydrophobicContact CD1-CG2 3.64Å; I96-I123 HydrophobicContact CG1-CG2 3.94Å
97D84.3Confident82.6Confident4 Ų446.1 Ų46.12%0.02125%0.246CC..Hα-helixtrans-54.8-45177.7-80.2-0.1000110E93 Y94 G101 I102 Y116 R402 R461E93-D97 VanDerWaalsContact O-CB 3.3Å; E93-D97 WeakPolarHBondContact O-CB 3.47Å; E93-D97 VanDerWaalsContact O-CG 3.23Å; E93-D97 PolarHBondContact O-N 3.06Å; Y94-D97 PolarHBondContact O-N 3.23Å; D97-G101 CarbonylContact O-C 3.59Å; D97-G101 VanDerWaalsContact O-CA 3.3Å; D97-G101 WeakPolarHBondContact O-CA 3.02Å; D97-G101 PolarHBondContact O-N 3.32Å; D97-I102 HydrophobicContact CB-CB 4.07Å; D97-I102 PolarHBondContact O-N 3.41Å; D97-Y116 WeakPolarHBondContact OD1-CE2 3.03Å; D97-Y116 PolarHBondContact OD1-OH 3.16Å; D97-R402 IonicContact OD2-CZ 2.77Å; D97-R402 IonicContact OD2-NH1 3.88Å; D97-R402 PolarHBondContact OD2-NH1 3.12Å; D97-R402 IonicContact OD2-NH2 2.68Å; D97-R461 IonicContact OD2-NH2 3.22Å
98K81.9Confident82.2Confident141 Ų14146.2 Ų46.261%0.61325%0.247SC*.Hα-helixtrans-67.2-40177.1-175-176.7173.1-163.50113Y94 I96Y94-K98 WeakPolarHBondContact O-CB 3.49Å; Y94-K98 PolarHBondContact O-N 2.87Å; I96-K98 PolarHBondContact O-N 3.06Å
99T86.1Confident82.1Confident99 Ų9949.9 Ų49.961%0.60728%0.277SS*.Hα-helixtrans-71-36.7-177.3-58.50000111.7E95 I96E95-T99 WeakPolarHBondContact O-CB 3.48Å; E95-T99 PolarHBondContact O-N 3.33Å; E95-T99 PolarHBondContact O-OG1 3.11Å; I96-T99 PolarHBondContact O-N 3.41Å
100L88.1Confident82.4Confident77 Ų7756.9 Ų56.940%0.40331%0.305SS..Hα-helixtrans-97.6-5.8-178-59.6-178.6000113.5I96 I102 M111 Q119I96-L100 HydrophobicContact CG2-CD1 3.6Å; I96-L100 HydrophobicContact CG2-CG 4.19Å; I96-L100 WeakPolarHBondContact O-CB 3.39Å; I96-L100 PolarHBondContact O-N 3.05Å; L100-I102 HydrophobicContact CB-CD1 4.2Å; L100-I102 HydrophobicContact CB-CG1 3.95Å; L100-M111 HydrophobicContact CD1-CE 3.73Å; L100-M111 HydrophobicContact CD1-SD 4.08Å; L100-Q119 HydrophobicContact CD1-CB 4.33Å; L100-Q119 HydrophobicContact CD1-CG 4.15Å
101G83.8Confident83.3Confident47 Ų4757 Ų5749%0.48531%0.305SS..THydrogen-bonded Turntrans69.631.6-178.900000114.3D97 K103D97-G101 CarbonylContact O-C 3.59Å; D97-G101 VanDerWaalsContact O-CA 3.3Å; D97-G101 WeakPolarHBondContact O-CA 3.02Å; D97-G101 PolarHBondContact O-N 3.32Å; G101-K103 PolarHBondContact O-N 2.65Å
102I81.6Confident84Confident16 Ų1656.1 Ų56.18%0.08230%0.304CS..  trans-71.1117.9-179.9-56.6-63000109.8D97 L100 D107 V108 M111 Y116D97-I102 HydrophobicContact CB-CB 4.07Å; D97-I102 PolarHBondContact O-N 3.41Å; L100-I102 HydrophobicContact CB-CD1 4.2Å; L100-I102 HydrophobicContact CB-CG1 3.95Å; I102-D107 HydrophobicContact CD1-CB 4.02Å; I102-D107 HydrophobicContact CG2-CB 4.15Å; I102-V108 HydrophobicContact CG2-CG2 3.66Å; I102-M111 HydrophobicContact CD1-SD 4.48Å; I102-Y116 HydrophobicContact CG1-CE2 4.15Å
103K72.9Confident84.5Confident136 Ų13658.1 Ų58.159%0.59131%0.314SS*.  trans-97.5-22.3-178.1-60.6-179.3-176.7178.50112.6G101 D107 R402G101-K103 PolarHBondContact O-N 2.65Å; K103-D107 WeakPolarHBondContact CB-OD2 3.45Å; K103-D107 PolarHBondContact N-OD2 3Å; K103-R402 WeakPolarHBondContact O-CD 3.15Å
104G71.1Confident85.1Confident9 Ų960.9 Ų60.99%0.09334%0.337CS..SBendtrans-175-173.417800000114.6E106 D107G104-E106 PolarHBondContact O-N 3.01Å; G104-D107 PolarHBondContact N-OD2 3.15Å; G104-D107 PolarHBondContact O-N 2.97Å; G104-D107 VanDerWaalsContact O-N 3.12Å
105P77.2Confident85.8Confident36 Ų3661.3 Ų61.323%0.23434%0.341CS..Hα-helixtrans-56.3-33.6-177.4-28.937.7000114.9D107 V108 A109 C185 Y462P105-D107 VanDerWaalsContact C-N 3.31Å; P105-D107 PolarHBondContact O-N 3.3Å; P105-V108 PolarHBondContact O-N 2.94Å; P105-A109 WeakPolarHBondContact O-CB 3.09Å; P105-A109 PolarHBondContact O-N 3.45Å; P105-C185 WeakPolarHBondContact CD-O 3.46Å; P105-C185 VanDerWaalsContact CG-O 3.32Å; P105-C185 WeakPolarHBondContact CG-O 3.28Å; P105-Y462 WeakPolarHBondContact CA-OH 3.27Å; P105-Y462 VanDerWaalsContact CB-OH 3.25Å; P105-Y462 WeakPolarHBondContact CB-OH 3.43Å
106E81.6Confident86.5Confident123 Ų12358.6 Ų58.658%0.57533%0.328SS*.Hα-helixtrans-64.3-35.5178.6-64.9-171.2-178.300112.8G104 A109 K110G104-E106 PolarHBondContact O-N 3.01Å; E106-A109 PolarHBondContact O-N 2.94Å; E106-K110 VanDerWaalsContact O-CG 3.25Å; E106-K110 WeakPolarHBondContact O-CG 3.48Å; E106-K110 PolarHBondContact O-N 2.96Å
107D85.3Confident86.9Confident47 Ų4758.2 Ų58.225%0.25133%0.326SS..Hα-helixtrans-69.7-39.1178.5-63.5-30.5000110.4I102 K103 G104 P105 K110 M111I102-D107 HydrophobicContact CD1-CB 4.02Å; I102-D107 HydrophobicContact CG2-CB 4.15Å; K103-D107 WeakPolarHBondContact CB-OD2 3.45Å; K103-D107 PolarHBondContact N-OD2 3Å; G104-D107 PolarHBondContact N-OD2 3.15Å; G104-D107 PolarHBondContact O-N 2.97Å; G104-D107 VanDerWaalsContact O-N 3.12Å; P105-D107 VanDerWaalsContact C-N 3.31Å; P105-D107 PolarHBondContact O-N 3.3Å; D107-K110 PolarHBondContact O-N 2.55Å; D107-K110 IonicContact OD1-NZ 3.93Å; D107-M111 WeakPolarHBondContact O-CB 3.39Å; D107-M111 PolarHBondContact O-N 2.93Å
108V87.3Confident87.5Confident2 Ų263 Ų631%0.01235%0.347CS..Hα-helixtrans-66-39.8172.9-176.60000110.9I102 P105 K110 M111 G112 Y116 Y462I102-V108 HydrophobicContact CG2-CG2 3.66Å; P105-V108 PolarHBondContact O-N 2.94Å; V108-K110 PolarHBondContact O-N 2.89Å; V108-M111 PolarHBondContact O-N 3.18Å; V108-G112 CarbonylContact O-C 3.58Å; V108-G112 WeakPolarHBondContact O-CA 3.49Å; V108-G112 PolarHBondContact O-N 3.48Å; V108-Y116 HydrophobicContact CG1-CD1 4.31Å; V108-Y116 HydrophobicContact CG1-CD2 4.22Å; V108-Y116 HydrophobicContact CG1-CG 3.94Å; V108-Y116 HydrophobicContact CG2-CD2 4.01Å; V108-Y116 HydrophobicContact CG2-CE2 3.98Å; V108-Y116 HydrophobicContact CG2-CG 4.5Å; V108-Y462 HydrophobicContact CB-CD2 4.43Å; V108-Y462 HydrophobicContact CB-CE1 4.37Å; V108-Y462 HydrophobicContact CB-CE2 3.91Å; V108-Y462 HydrophobicContact CG1-CD1 3.94Å; V108-Y462 HydrophobicContact CG1-CD2 3.89Å; V108-Y462 HydrophobicContact CG1-CE1 3.85Å; V108-Y462 HydrophobicContact CG1-CE2 3.82Å; V108-Y462 HydrophobicContact CG1-CG 3.95Å; V108-Y462 HydrophobicContact CG2-CD2 4.19Å; V108-Y462 HydrophobicContact CG2-CE2 3.73Å
109A87.3Confident88.1Confident77 Ų7759.1 Ų59.164%0.63633%0.331SS*.Hα-helixtrans-63.4-39.7175.800000112.2P105 E106 G112P105-A109 WeakPolarHBondContact O-CB 3.09Å; P105-A109 PolarHBondContact O-N 3.45Å; E106-A109 PolarHBondContact O-N 2.94Å; A109-G112 PolarHBondContact O-N 3.48Å
110K91.6Very high88.5Confident155 Ų15554.4 Ų54.467%0.67430%0.302SS*.Hα-helixtrans-64.7-40173.9-72.2166.2-165.7159.70112.3E106 D107 V108E106-K110 VanDerWaalsContact O-CG 3.25Å; E106-K110 WeakPolarHBondContact O-CG 3.48Å; E106-K110 PolarHBondContact O-N 2.96Å; D107-K110 PolarHBondContact O-N 2.55Å; D107-K110 IonicContact OD1-NZ 3.93Å; V108-K110 PolarHBondContact O-N 2.89Å
111M93.9Very high88.8Confident58 Ų5854.2 Ų54.229%0.28630%0.296SS..Hα-helixtrans-73.1-31.6177.6-177.2174.7-179.500112.6L100 I102 D107 V108 E115 Y116 Q119L100-M111 HydrophobicContact CD1-CE 3.73Å; L100-M111 HydrophobicContact CD1-SD 4.08Å; I102-M111 HydrophobicContact CD1-SD 4.48Å; D107-M111 WeakPolarHBondContact O-CB 3.39Å; D107-M111 PolarHBondContact O-N 2.93Å; V108-M111 PolarHBondContact O-N 3.18Å; M111-E115 HydrophobicContact CE-CB 4.26Å; M111-E115 HydrophobicContact CE-CG 3.73Å; M111-E115 HydrophobicContact CG-CB 4.26Å; M111-E115 HydrophobicContact CG-CG 4.34Å; M111-Y116 HydrophobicContact SD-CD2 4.1Å; M111-Q119 HydrophobicContact CE-CG 3.71Å
112G94.6Very high89.2Confident27 Ų2755.9 Ų55.928%0.27829%0.294SS..  trans85.5137.6-169.800000112.2V108 A109 A114 E115 Y116V108-G112 CarbonylContact O-C 3.58Å; V108-G112 WeakPolarHBondContact O-CA 3.49Å; V108-G112 PolarHBondContact O-N 3.48Å; A109-G112 PolarHBondContact O-N 3.48Å; G112-A114 VanDerWaalsContact C-N 3.27Å; G112-A114 PolarHBondContact O-N 3.25Å; G112-E115 PolarHBondContact O-N 3.23Å; G112-Y116 PolarHBondContact O-N 3.34Å; G112-Y116 VanDerWaalsContact O-N 3.11Å
113I94.3Very high89.6Confident43 Ų4355.6 Ų55.622%0.22129%0.293CS..Hα-helixtrans-57.8-40.2-178.7-64.3177.2000111.4E115 Y116 N117 Y462 R500I113-E115 PolarHBondContact O-N 2.85Å; I113-Y116 PolarHBondContact O-N 2.64Å; I113-N117 VanDerWaalsContact O-CB 3.31Å; I113-N117 WeakPolarHBondContact O-CB 3.23Å; I113-N117 PolarHBondContact O-N 3.49Å; I113-Y462 HydrophobicContact CD1-CD1 3.98Å; I113-Y462 HydrophobicContact CD1-CE1 4.37Å; I113-Y462 HydrophobicContact CG1-CD1 3.9Å; I113-Y462 HydrophobicContact CG1-CE1 4.35Å; I113-R500 HydrophobicContact CG2-CB 4.3Å
114A95.6Very high90.4Very high57 Ų5749.1 Ų49.147%0.47126%0.264SS..Hα-helixtrans-60.6-45.6-178.900000112.8G112 K118 E501G112-A114 VanDerWaalsContact C-N 3.27Å; G112-A114 PolarHBondContact O-N 3.25Å; A114-K118 WeakPolarHBondContact O-CB 3.41Å; A114-K118 PolarHBondContact O-N 3.41Å; A114-E501 HydrophobicContact CB-CB 3.89Å; A114-E501 HydrophobicContact CB-CG 4.29Å
115E96.1Very high91.2Very high68 Ų6852.4 Ų52.432%0.31828%0.278SS..Hα-helixtrans-72.7-36.8179-173.253.6-139.700110.9M111 G112 I113 K118 Q119M111-E115 HydrophobicContact CE-CB 4.26Å; M111-E115 HydrophobicContact CE-CG 3.73Å; M111-E115 HydrophobicContact CG-CB 4.26Å; M111-E115 HydrophobicContact CG-CG 4.34Å; G112-E115 PolarHBondContact O-N 3.23Å; I113-E115 PolarHBondContact O-N 2.85Å; E115-K118 WeakPolarHBondContact O-CB 3.35Å; E115-K118 PolarHBondContact O-N 3.01Å; E115-K118 IonicContact OE1-NZ 3.67Å; E115-K118 WeakPolarHBondContact OE2-CD 3.2Å; E115-K118 IonicContact OE2-NZ 3.68Å; E115-K118 PolarHBondContact OE2-NZ 3.13Å; E115-Q119 WeakPolarHBondContact O-CG 3.4Å; E115-Q119 PolarHBondContact O-N 2.69Å; E115-Q119 VanDerWaalsContact O-N 3.11Å; E115-Q119 PolarHBondContact OE1-NE2 3.26Å
116Y95.3Very high91.7Very high0 Ų056.4 Ų56.40%029%0.289CS..Hα-helixtrans-61.1-47.9174.6-177-92.6000112.2E93 I96 D97 I102 V108 M111 G112 I113 K118 Q119 C120 Y462E93-Y116 WeakPolarHBondContact CB-OH 3.4Å; E93-Y116 HydrophobicContact CG-CE1 4.04Å; E93-Y116 PolarHBondContact O-OH 3.2Å; I96-Y116 HydrophobicContact CG2-CD2 4.33Å; I96-Y116 HydrophobicContact CG2-CE2 3.88Å; D97-Y116 WeakPolarHBondContact OD1-CE2 3.03Å; D97-Y116 PolarHBondContact OD1-OH 3.16Å; I102-Y116 HydrophobicContact CG1-CE2 4.15Å; V108-Y116 HydrophobicContact CG1-CD1 4.31Å; V108-Y116 HydrophobicContact CG1-CD2 4.22Å; V108-Y116 HydrophobicContact CG1-CG 3.94Å; V108-Y116 HydrophobicContact CG2-CD2 4.01Å; V108-Y116 HydrophobicContact CG2-CE2 3.98Å; V108-Y116 HydrophobicContact CG2-CG 4.5Å; M111-Y116 HydrophobicContact SD-CD2 4.1Å; G112-Y116 PolarHBondContact O-N 3.34Å; G112-Y116 VanDerWaalsContact O-N 3.11Å; I113-Y116 PolarHBondContact O-N 2.64Å; Y116-K118 VanDerWaalsContact C-N 3.32Å; Y116-K118 PolarHBondContact O-N 2.73Å; Y116-Q119 PolarHBondContact O-N 3.01Å; Y116-Q119 VanDerWaalsContact O-N 3.17Å; Y116-C120 PolarHBondContact O-N 3.47Å; Y116-C120 VanDerWaalsContact O-N 3.1Å; Y116-C120 PolarHBondContact O-SG 3.44Å; Y116-C120 VanDerWaalsContact O-SG 3.34Å; Y116-Y462 HydrophobicContact CE1-CD2 4.19Å
117N96Very high92Very high0 Ų052.2 Ų52.20%027%0.268CS..Hα-helixtrans-65.7-34.7178.7-77.63.4000112I113 Q119 C120 R121 Y462 W463 E501I113-N117 VanDerWaalsContact O-CB 3.31Å; I113-N117 WeakPolarHBondContact O-CB 3.23Å; I113-N117 PolarHBondContact O-N 3.49Å; N117-Q119 PolarHBondContact O-N 3.33Å; N117-C120 WeakPolarHBondContact O-CB 3.31Å; N117-C120 PolarHBondContact O-N 3.41Å; N117-R121 WeakPolarHBondContact O-CB 3.28Å; N117-R121 PolarHBondContact O-N 2.92Å; N117-Y462 PolarHBondContact ND2-O 3.47Å; N117-Y462 PolarHBondContact OD1-O 3.26Å; N117-W463 HydrophobicContact CB-CE3 3.58Å; N117-W463 HydrophobicContact CB-CZ3 3.87Å; N117-W463 WeakPolarHBondContact O-CZ3 3.38Å; N117-E501 WeakPolarHBondContact CB-OE1 3.4Å; N117-E501 PolarHBondContact ND2-OE2 2.98Å
118K96.1Very high92.1Very high106 Ų10650.3 Ų50.346%0.46126%0.258SS..Hα-helixtrans-61.6-41171.5-178.4-174.8170.4-164.20112.6A114 E115 Y116 R121 N122A114-K118 WeakPolarHBondContact O-CB 3.41Å; A114-K118 PolarHBondContact O-N 3.41Å; E115-K118 WeakPolarHBondContact O-CB 3.35Å; E115-K118 PolarHBondContact O-N 3.01Å; E115-K118 IonicContact OE1-NZ 3.67Å; E115-K118 WeakPolarHBondContact OE2-CD 3.2Å; E115-K118 IonicContact OE2-NZ 3.68Å; E115-K118 PolarHBondContact OE2-NZ 3.13Å; Y116-K118 VanDerWaalsContact C-N 3.32Å; Y116-K118 PolarHBondContact O-N 2.73Å; K118-R121 PolarHBondContact O-N 2.86Å; K118-N122 VanDerWaalsContact O-CG 3.23Å; K118-N122 PolarHBondContact O-N 2.82Å; K118-N122 PolarHBondContact O-ND2 3.34Å
119Q95.1Very high92.1Very high59 Ų5955.4 Ų55.428%0.27629%0.285SS..Hα-helixtrans-64.8-41174.7-63.7-60.3-2900111.6I96 L100 M111 E115 Y116 N117 R121 N122 I123I96-Q119 HydrophobicContact CD1-CB 4.28Å; I96-Q119 HydrophobicContact CG2-CB 4.26Å; L100-Q119 HydrophobicContact CD1-CB 4.33Å; L100-Q119 HydrophobicContact CD1-CG 4.15Å; M111-Q119 HydrophobicContact CE-CG 3.71Å; E115-Q119 WeakPolarHBondContact O-CG 3.4Å; E115-Q119 PolarHBondContact O-N 2.69Å; E115-Q119 VanDerWaalsContact O-N 3.11Å; E115-Q119 PolarHBondContact OE1-NE2 3.26Å; Y116-Q119 PolarHBondContact O-N 3.01Å; Y116-Q119 VanDerWaalsContact O-N 3.17Å; N117-Q119 PolarHBondContact O-N 3.33Å; Q119-R121 VanDerWaalsContact C-N 3.35Å; Q119-R121 PolarHBondContact O-N 2.85Å; Q119-N122 PolarHBondContact O-N 3.49Å; Q119-I123 PolarHBondContact O-N 3.35Å
120C92.9Very high92.2Very high0 Ų055.2 Ų55.20%027%0.271CS..Hα-helixtrans-60.3-41.8173.4-62.10000112.3V92 I96 Y116 N117 N122 I123 V124 W463V92-C120 HydrophobicContact CG1-CB 4.12Å; I96-C120 HydrophobicContact CG1-CB 4.47Å; Y116-C120 PolarHBondContact O-N 3.47Å; Y116-C120 VanDerWaalsContact O-N 3.1Å; Y116-C120 PolarHBondContact O-SG 3.44Å; Y116-C120 VanDerWaalsContact O-SG 3.34Å; N117-C120 WeakPolarHBondContact O-CB 3.31Å; N117-C120 PolarHBondContact O-N 3.41Å; C120-N122 PolarHBondContact O-N 3.13Å; C120-I123 WeakPolarHBondContact O-CG2 3.42Å; C120-V124 WeakPolarHBondContact O-CG2 3.33Å; C120-V124 PolarHBondContact O-N 3.35Å; C120-W463 HydrophobicContact CB-CB 4.15Å; C120-W463 HydrophobicContact CB-CD2 3.48Å; C120-W463 VanDerWaalsContact CB-CD2 3.48Å; C120-W463 HydrophobicContact CB-CE3 4.09Å; C120-W463 HydrophobicContact CB-CG 3.49Å; C120-W463 VanDerWaalsContact CB-CG 3.49Å; C120-W463 HydrophobicContact CB-CZ2 4.42Å
121R94.7Very high92.2Very high72 Ų7248.4 Ų48.427%0.27224%0.241SC..Hα-helixtrans-63.4-41175.9-168.6175.2-67.9-175.5-6.6112.4N117 K118 Q119 V124 M125 L151 W463 D497 H499N117-R121 WeakPolarHBondContact O-CB 3.28Å; N117-R121 PolarHBondContact O-N 2.92Å; K118-R121 PolarHBondContact O-N 2.86Å; Q119-R121 VanDerWaalsContact C-N 3.35Å; Q119-R121 PolarHBondContact O-N 2.85Å; R121-V124 PolarHBondContact O-N 3.28Å; R121-M125 PolarHBondContact O-N 3.14Å; R121-L151 HydrophobicContact CG-CD2 4.41Å; R121-W463 HydrophobicContact CB-CH2 3.76Å; R121-W463 HydrophobicContact CB-CZ2 4.16Å; R121-W463 HydrophobicContact CB-CZ3 4.43Å; R121-W463 HydrophobicContact CG-CH2 4.19Å; R121-D497 IonicContact CZ-OD2 3.27Å; R121-D497 IonicContact NH1-OD2 3.35Å; R121-D497 PolarHBondContact NH1-OD2 3.22Å; R121-D497 IonicContact NH2-OD1 3.78Å; R121-D497 IonicContact NH2-OD2 3.88Å; R121-D497 PolarHBondContact NH2-OD2 3.02Å; R121-H499 PolarHBondContact NH2-ND1 3.17Å
122N93.4Very high92.2Very high83 Ų8347.7 Ų47.744%0.44424%0.237SC..Hα-helixtrans-66.1-41.5-178.4-71.7-20.9000113K118 Q119 C120 V124 M125 R126K118-N122 VanDerWaalsContact O-CG 3.23Å; K118-N122 PolarHBondContact O-N 2.82Å; K118-N122 PolarHBondContact O-ND2 3.34Å; Q119-N122 PolarHBondContact O-N 3.49Å; C120-N122 PolarHBondContact O-N 3.13Å; N122-V124 VanDerWaalsContact C-N 3.33Å; N122-V124 PolarHBondContact O-N 3.03Å; N122-M125 PolarHBondContact O-N 2.94Å; N122-R126 PolarHBondContact O-N 3.02Å; N122-R126 VanDerWaalsContact O-N 3.17Å
123I89.4Confident92.1Very high10 Ų1049.4 Ų49.45%0.05125%0.249CC..Hα-helixtrans-66.9-35.7-179.3-170.4163.3000112.1V92 E95 I96 Q119 C120 R126 Y127V92-I123 HydrophobicContact CG1-CG2 3.82Å; E95-I123 HydrophobicContact CB-CD1 4.08Å; I96-I123 HydrophobicContact CD1-CB 3.94Å; I96-I123 HydrophobicContact CD1-CD1 3.95Å; I96-I123 HydrophobicContact CD1-CG2 3.64Å; I96-I123 HydrophobicContact CG1-CG2 3.94Å; Q119-I123 PolarHBondContact O-N 3.35Å; C120-I123 WeakPolarHBondContact O-CG2 3.42Å; I123-R126 PolarHBondContact O-N 2.99Å; I123-Y127 HydrophobicContact CD1-CE2 3.77Å; I123-Y127 HydrophobicContact CG1-CD2 3.71Å; I123-Y127 HydrophobicContact CG1-CE2 3.42Å; I123-Y127 VanDerWaalsContact CG1-CE2 3.42Å; I123-Y127 WeakPolarHBondContact O-CD2 3.36Å; I123-Y127 PolarHBondContact O-N 2.94Å; I123-Y127 VanDerWaalsContact O-N 3.15Å
124V89Confident92.1Very high0 Ų049.3 Ų49.30%025%0.25CS..Hα-helixtrans-60.2-49.4175.7167.70000110.5A50 C87 V92 C120 R121 N122 R126 Y127 S128 L151A50-V124 HydrophobicContact CB-CB 4.11Å; A50-V124 HydrophobicContact CB-CG1 3.78Å; A50-V124 HydrophobicContact CB-CG2 4.13Å; C87-V124 HydrophobicContact CB-CG1 3.89Å; C87-V124 HydrophobicContact CB-CG2 4.19Å; C87-V124 WeakPolarHBondContact SG-CG1 3.24Å; V92-V124 HydrophobicContact CG1-CG2 3.99Å; V92-V124 HydrophobicContact CG2-CG2 4.2Å; C120-V124 WeakPolarHBondContact O-CG2 3.33Å; C120-V124 PolarHBondContact O-N 3.35Å; R121-V124 PolarHBondContact O-N 3.28Å; N122-V124 VanDerWaalsContact C-N 3.33Å; N122-V124 PolarHBondContact O-N 3.03Å; V124-R126 VanDerWaalsContact C-N 3.33Å; V124-R126 PolarHBondContact O-N 3.27Å; V124-Y127 PolarHBondContact O-N 3.4Å; V124-S128 PolarHBondContact O-N 3.46Å; V124-L151 HydrophobicContact CG1-CD2 4.08Å
125M88.1Confident92.1Very high77 Ų7747.2 Ų47.238%0.37923%0.232SC..Hα-helixtrans-64-37.6-179.5-65.8-59.3-171.100112.4R121 N122 S128 N129 K149R121-M125 PolarHBondContact O-N 3.14Å; N122-M125 PolarHBondContact O-N 2.94Å; M125-S128 PolarHBondContact O-N 2.93Å; M125-N129 PolarHBondContact O-N 2.92Å; M125-K149 HydrophobicContact CE-CD 4.47Å; M125-K149 HydrophobicContact SD-CD 4.49Å
126R88.4Confident92Very high121 Ų12149 Ų4946%0.45724%0.235SC..Hα-helixtrans-58.9-52.8174.8-179.2-179.767.9-1681.6111.4N122 I123 V124 S128 N129 E130N122-R126 PolarHBondContact O-N 3.02Å; N122-R126 VanDerWaalsContact O-N 3.17Å; I123-R126 PolarHBondContact O-N 2.99Å; V124-R126 VanDerWaalsContact C-N 3.33Å; V124-R126 PolarHBondContact O-N 3.27Å; R126-S128 VanDerWaalsContact C-N 3.3Å; R126-S128 PolarHBondContact O-N 2.89Å; R126-N129 PolarHBondContact O-N 2.98Å; R126-E130 PolarHBondContact O-N 2.97Å
127Y87.1Confident92Very high35 Ų3551.1 Ų51.114%0.13724%0.244CC..Hα-helixtrans-69.1-29.4-177.7-73.2-52.5000113A50 T51 I123 V124 N129 E130 W131A50-Y127 WeakPolarHBondContact O-CD2 3.38Å; T51-Y127 VanDerWaalsContact C-CE2 3.43Å; T51-Y127 WeakPolarHBondContact O-CE2 3.3Å; I123-Y127 HydrophobicContact CD1-CE2 3.77Å; I123-Y127 HydrophobicContact CG1-CD2 3.71Å; I123-Y127 HydrophobicContact CG1-CE2 3.42Å; I123-Y127 VanDerWaalsContact CG1-CE2 3.42Å; I123-Y127 WeakPolarHBondContact O-CD2 3.36Å; I123-Y127 PolarHBondContact O-N 2.94Å; I123-Y127 VanDerWaalsContact O-N 3.15Å; V124-Y127 PolarHBondContact O-N 3.4Å; Y127-N129 VanDerWaalsContact C-N 3.32Å; Y127-N129 PolarHBondContact O-N 3.02Å; Y127-E130 VanDerWaalsContact CD1-OE2 3.27Å; Y127-E130 WeakPolarHBondContact CD1-OE2 3.29Å; Y127-E130 WeakPolarHBondContact CE1-OE2 3.2Å; Y127-E130 PolarHBondContact O-N 2.96Å; Y127-W131 PolarHBondContact O-N 2.74Å
128S87.4Confident92.1Very high7 Ų751.6 Ų51.65%0.04925%0.246CC..Hα-helixtrans-56.1-47.1173-176.10000112.1W85 V124 M125 R126 W131 E132W85-S128 VanDerWaalsContact CZ2-CA 3.44Å; W85-S128 PolarHBondContact NE1-OG 2.98Å; V124-S128 PolarHBondContact O-N 3.46Å; M125-S128 PolarHBondContact O-N 2.93Å; R126-S128 VanDerWaalsContact C-N 3.3Å; R126-S128 PolarHBondContact O-N 2.89Å; S128-W131 PolarHBondContact O-N 3.28Å; S128-E132 PolarHBondContact O-N 2.91Å; S128-E132 VanDerWaalsContact O-N 3.13Å
129N88Confident92.1Very high109 Ų10946.7 Ų46.758%0.58323%0.225SC*.Hα-helixtrans-67.3-40.6-179.8-66-17.3000112.4M125 R126 Y127 W131 E132 A133M125-N129 PolarHBondContact O-N 2.92Å; R126-N129 PolarHBondContact O-N 2.98Å; Y127-N129 VanDerWaalsContact C-N 3.32Å; Y127-N129 PolarHBondContact O-N 3.02Å; N129-W131 VanDerWaalsContact C-N 3.32Å; N129-W131 PolarHBondContact O-N 2.74Å; N129-E132 PolarHBondContact O-N 2.9Å; N129-A133 PolarHBondContact O-N 3.36Å
130E89.1Confident92.2Very high73 Ų7344.9 Ų44.934%0.34122%0.216SC..Hα-helixtrans-65.3-36.6178.7-68.8175.8-171.700112.3L53 R126 Y127 T134L53-E130 HydrophobicContact CD2-CB 3.72Å; L53-E130 HydrophobicContact CD2-CG 4.33Å; L53-E130 WeakPolarHBondContact CD2-OE2 3.43Å; R126-E130 PolarHBondContact O-N 2.97Å; Y127-E130 VanDerWaalsContact CD1-OE2 3.27Å; Y127-E130 WeakPolarHBondContact CD1-OE2 3.29Å; Y127-E130 WeakPolarHBondContact CE1-OE2 3.2Å; Y127-E130 PolarHBondContact O-N 2.96Å; E130-T134 PolarHBondContact O-N 2.97Å; E130-T134 PolarHBondContact O-OG1 3.46Å
131W92.6Very high92.5Very high11 Ų1145.9 Ų45.94%0.04222%0.219CC..Hα-helixtrans-68.9-40.7175.2-90.571.3000112.9P48 G52 P54 H58 F83 W85 Y127 S128 N129 A133 T134 V135P48-W131 HydrophobicContact CB-CH2 3.54Å; P48-W131 HydrophobicContact CB-CZ2 4.07Å; P48-W131 HydrophobicContact CB-CZ3 3.98Å; P48-W131 HydrophobicContact CG-CE3 4.34Å; P48-W131 HydrophobicContact CG-CH2 3.9Å; P48-W131 HydrophobicContact CG-CZ3 3.8Å; G52-W131 PolarHBondContact O-NE1 2.94Å; P54-W131 HydrophobicContact CB-CD2 4.15Å; P54-W131 HydrophobicContact CB-CE3 4.23Å; P54-W131 HydrophobicContact CB-CH2 4.11Å; P54-W131 HydrophobicContact CB-CZ2 3.98Å; P54-W131 HydrophobicContact CB-CZ3 4.22Å; P54-W131 HydrophobicContact CG-CD2 4.29Å; H58-W131 HydrophobicContact CB-CH2 3.66Å; H58-W131 HydrophobicContact CB-CZ3 4.05Å; H58-W131 AromaticContact CD2-CH2 3.59Å; H58-W131 AromaticContact CE1-CH2 3.99Å; H58-W131 AromaticContact CE1-CZ2 3.9Å; H58-W131 AromaticContact CG-CH2 3.37Å; H58-W131 AromaticContact CG-CZ2 3.97Å; H58-W131 AromaticContact ND1-CH2 3.64Å; H58-W131 AromaticContact ND1-CZ2 3.74Å; H58-W131 AromaticContact NE2-CH2 3.99Å; F83-W131 AromaticContact CZ-CE3 3.95Å; F83-W131 HydrophobicContact CZ-CE3 3.95Å; F83-W131 HydrophobicContact CZ-CZ3 4.27Å; W85-W131 HydrophobicContact CH2-CB 3.46Å; W85-W131 VanDerWaalsContact CH2-CB 3.46Å; W85-W131 AromaticContact CH2-CD1 3.87Å; W85-W131 AromaticContact CH2-CD2 3.81Å; W85-W131 HydrophobicContact CH2-CD2 3.81Å; W85-W131 HydrophobicContact CH2-CE3 4.31Å; W85-W131 AromaticContact CH2-CG 3.46Å; W85-W131 HydrophobicContact CH2-CG 3.46Å; W85-W131 VanDerWaalsContact CH2-CG 3.46Å; W85-W131 HydrophobicContact CZ2-CB 3.9Å; W85-W131 HydrophobicContact CZ2-CG 4.36Å; W85-W131 HydrophobicContact CZ3-CD2 4.31Å; W85-W131 HydrophobicContact CZ3-CG 4.25Å; Y127-W131 PolarHBondContact O-N 2.74Å; S128-W131 PolarHBondContact O-N 3.28Å; N129-W131 VanDerWaalsContact C-N 3.32Å; N129-W131 PolarHBondContact O-N 2.74Å; W131-A133 PolarHBondContact O-N 2.93Å; W131-T134 PolarHBondContact O-N 2.82Å; W131-T134 VanDerWaalsContact O-N 3.07Å; W131-V135 HydrophobicContact CE3-CG2 4.17Å; W131-V135 WeakPolarHBondContact O-CB 3.28Å; W131-V135 VanDerWaalsContact O-CG2 3.28Å; W131-V135 WeakPolarHBondContact O-CG2 3.5Å; W131-V135 PolarHBondContact O-N 3.16Å
132E93Very high92.5Very high44 Ų4443 Ų4321%0.20621%0.21CC..Hα-helixtrans-54.8-44.5177.8179.3172.8-164.800110.9S128 N129 T134 V135 R136 F144S128-E132 PolarHBondContact O-N 2.91Å; S128-E132 VanDerWaalsContact O-N 3.13Å; N129-E132 PolarHBondContact O-N 2.9Å; E132-T134 PolarHBondContact O-N 3.11Å; E132-V135 PolarHBondContact O-N 2.95Å; E132-R136 HydrophobicContact CG-CG 4.31Å; E132-R136 VanDerWaalsContact O-CB 3.28Å; E132-R136 WeakPolarHBondContact O-CB 3.38Å; E132-R136 WeakPolarHBondContact O-CG 3.36Å; E132-R136 PolarHBondContact O-N 3.37Å; E132-R136 IonicContact OE1-CZ 3.73Å; E132-R136 IonicContact OE1-NE 3.03Å; E132-R136 PolarHBondContact OE1-NE 2.89Å; E132-R136 IonicContact OE1-NH2 3.58Å; E132-R136 PolarHBondContact OE1-NH2 3.48Å; E132-F144 HydrophobicContact CB-CD1 3.97Å; E132-F144 HydrophobicContact CB-CD2 4.38Å; E132-F144 HydrophobicContact CB-CE1 4.01Å; E132-F144 HydrophobicContact CB-CE2 4.4Å; E132-F144 HydrophobicContact CB-CG 4.16Å; E132-F144 HydrophobicContact CB-CZ 4.22Å; E132-F144 HydrophobicContact CG-CB 4.28Å; E132-F144 HydrophobicContact CG-CD1 4.18Å; E132-F144 HydrophobicContact CG-CD2 3.85Å; E132-F144 HydrophobicContact CG-CE1 4.5Å; E132-F144 HydrophobicContact CG-CE2 4.17Å; E132-F144 HydrophobicContact CG-CG 3.85Å; E132-F144 HydrophobicContact CG-CZ 4.49Å
133A92.4Very high92.6Very high63 Ų6340.2 Ų40.252%0.52119%0.194SC..Hα-helixtrans-58.9-45.8175.900000112.3N129 W131 R137N129-A133 PolarHBondContact O-N 3.36Å; W131-A133 PolarHBondContact O-N 2.93Å; A133-R137 WeakPolarHBondContact O-CB 3.3Å; A133-R137 PolarHBondContact O-N 3.25Å
134T93.4Very high92.7Very high41 Ų4140.7 Ų40.725%0.25220%0.196SC..Hα-helixtrans-69.6-42.5-179.2-52.40000112.1P54 E130 W131 E132 R137 M138P54-T134 HydrophobicContact CG-CG2 3.51Å; E130-T134 PolarHBondContact O-N 2.97Å; E130-T134 PolarHBondContact O-OG1 3.46Å; W131-T134 PolarHBondContact O-N 2.82Å; W131-T134 VanDerWaalsContact O-N 3.07Å; E132-T134 PolarHBondContact O-N 3.11Å; T134-R137 PolarHBondContact O-N 3.49Å; T134-M138 WeakPolarHBondContact O-CG 3.37Å; T134-M138 PolarHBondContact O-N 2.82Å
135V95.5Very high92.8Very high13 Ų1349.1 Ų49.18%0.07923%0.233CC..Hα-helixtrans-64.7-43179.9171.90000110.8F83 W131 E132 M138 G139 R140 I142 F144F83-V135 HydrophobicContact CE2-CG2 4.2Å; W131-V135 HydrophobicContact CE3-CG2 4.17Å; W131-V135 WeakPolarHBondContact O-CB 3.28Å; W131-V135 VanDerWaalsContact O-CG2 3.28Å; W131-V135 WeakPolarHBondContact O-CG2 3.5Å; W131-V135 PolarHBondContact O-N 3.16Å; E132-V135 PolarHBondContact O-N 2.95Å; V135-M138 PolarHBondContact O-N 2.81Å; V135-G139 PolarHBondContact O-N 3.45Å; V135-R140 HydrophobicContact CG1-CB 3.78Å; V135-R140 HydrophobicContact CG1-CG 3.91Å; V135-R140 PolarHBondContact O-N 3.28Å; V135-I142 HydrophobicContact CG1-CG2 3.85Å; V135-F144 HydrophobicContact CB-CE2 3.99Å; V135-F144 HydrophobicContact CB-CZ 3.8Å; V135-F144 HydrophobicContact CG1-CE2 3.69Å; V135-F144 HydrophobicContact CG1-CZ 3.81Å; V135-F144 HydrophobicContact CG2-CZ 4.03Å
136R95.1Very high93Very high105 Ų10549.9 Ų49.940%0.39624%0.238SC..Hα-helixtrans-60.8-45.4172.2-74.2174.8176.7-136.25.1111.3L19 E132 M138 G139L19-R136 HydrophobicContact CD2-CB 4.41Å; E132-R136 HydrophobicContact CG-CG 4.31Å; E132-R136 VanDerWaalsContact O-CB 3.28Å; E132-R136 WeakPolarHBondContact O-CB 3.38Å; E132-R136 WeakPolarHBondContact O-CG 3.36Å; E132-R136 PolarHBondContact O-N 3.37Å; E132-R136 IonicContact OE1-CZ 3.73Å; E132-R136 IonicContact OE1-NE 3.03Å; E132-R136 PolarHBondContact OE1-NE 2.89Å; E132-R136 IonicContact OE1-NH2 3.58Å; E132-R136 PolarHBondContact OE1-NH2 3.48Å; R136-M138 VanDerWaalsContact C-N 3.25Å; R136-M138 PolarHBondContact O-N 3.48Å; R136-G139 PolarHBondContact O-N 3.45Å
137R96.3Very high93.2Very high45 Ų4544.4 Ų44.417%0.1722%0.218CC..Hα-helixtrans-62.2-32.4178.6-175.361.6-169.583.9-7.8112.7E15 A133 T134 G139 V615 A620E15-R137 IonicContact OE2-CZ 2.79Å; E15-R137 VanDerWaalsContact OE2-CZ 3.22Å; E15-R137 IonicContact OE2-NH1 3.38Å; E15-R137 PolarHBondContact OE2-NH1 2.83Å; E15-R137 IonicContact OE2-NH2 2.79Å; E15-R137 PolarHBondContact OE2-NH2 3.01Å; A133-R137 WeakPolarHBondContact O-CB 3.3Å; A133-R137 PolarHBondContact O-N 3.25Å; T134-R137 PolarHBondContact O-N 3.49Å; R137-G139 PolarHBondContact O-N 2.9Å; R137-V615 HydrophobicContact CG-CG1 3.8Å; R137-A620 WeakPolarHBondContact O-CB 3.09Å
138M96.9Very high93.6Very high10 Ų1042.8 Ų42.85%0.04921%0.212CC..THydrogen-bonded Turntrans-75.2-1.2173.4-69.5-54.4-46.700114.2I59 T134 V135 R136 R140 V615 A620 L623 R624I59-M138 HydrophobicContact CD1-SD 4.45Å; I59-M138 HydrophobicContact CG2-CE 3.62Å; I59-M138 HydrophobicContact CG2-CG 4.24Å; I59-M138 HydrophobicContact CG2-SD 4.03Å; T134-M138 WeakPolarHBondContact O-CG 3.37Å; T134-M138 PolarHBondContact O-N 2.82Å; V135-M138 PolarHBondContact O-N 2.81Å; R136-M138 VanDerWaalsContact C-N 3.25Å; R136-M138 PolarHBondContact O-N 3.48Å; M138-R140 VanDerWaalsContact C-N 3.28Å; M138-R140 PolarHBondContact O-N 2.96Å; M138-V615 HydrophobicContact SD-CG2 3.59Å; M138-V615 VanDerWaalsContact SD-CG2 3.59Å; M138-A620 HydrophobicContact CE-CB 3.98Å; M138-A620 HydrophobicContact SD-CB 4.23Å; M138-L623 HydrophobicContact CE-CB 4.42Å; M138-L623 HydrophobicContact CE-CD2 4.09Å; M138-L623 HydrophobicContact CE-CG 4.33Å; M138-L623 HydrophobicContact SD-CD2 4.11Å; M138-R624 HydrophobicContact CE-CG 3.71Å; M138-R624 WeakPolarHBondContact O-CD 3.28Å; M138-R624 PolarHBondContact O-NH1 2.98Å
139G96.8Very high94Very high2 Ų243 Ų432%0.02121%0.212CC..THydrogen-bonded Turntrans71.618.6179.400000114.1R70 V135 R136 R137 W141 F775R70-G139 PolarHBondContact NH2-O 3.22Å; V135-G139 PolarHBondContact O-N 3.45Å; R136-G139 PolarHBondContact O-N 3.45Å; R137-G139 PolarHBondContact O-N 2.9Å; G139-W141 PolarHBondContact O-N 2.88Å; G139-F775 VanDerWaalsContact CA-CZ 3.45Å
140R97.6Very high94.5Very high22 Ų2237.9 Ų37.98%0.08318%0.184CC..  trans-78.8118.1176.2172.2175-170.1-147.71.7109.8D45 D66 V135 M138 I142D45-R140 IonicContact OD1-CZ 3.12Å; D45-R140 IonicContact OD1-NH1 3.17Å; D45-R140 IonicContact OD1-NH2 3.81Å; D45-R140 PolarHBondContact OD1-NH2 3.49Å; D45-R140 IonicContact OD2-CZ 3.53Å; D45-R140 IonicContact OD2-NH1 3.92Å; D45-R140 PolarHBondContact OD2-NH1 3.23Å; D45-R140 IonicContact OD2-NH2 3.76Å; D45-R140 PolarHBondContact OD2-NH2 2.77Å; D66-R140 HydrophobicContact CB-CB 4.29Å; D66-R140 HydrophobicContact CB-CG 4.08Å; D66-R140 WeakPolarHBondContact OD1-CA 3.27Å; V135-R140 HydrophobicContact CG1-CB 3.78Å; V135-R140 HydrophobicContact CG1-CG 3.91Å; V135-R140 PolarHBondContact O-N 3.28Å; M138-R140 VanDerWaalsContact C-N 3.28Å; M138-R140 PolarHBondContact O-N 2.96Å; R140-I142 HydrophobicContact CG-CB 4.39Å; R140-I142 HydrophobicContact CG-CG2 4.05Å; R140-I142 PolarHBondContact O-N 3.44Å
141W97.4Very high94.8Very high20 Ų2035 Ų358%0.07617%0.171CC..  trans-86.9106.5176.9-80.22.5000110.6W22 C27 F28 C31 D66 R70 R81 G139 H802W22-W141 AromaticContact CD2-CZ2 3.99Å; W22-W141 HydrophobicContact CD2-CZ2 3.99Å; W22-W141 AromaticContact CD2-NE1 3.92Å; W22-W141 AromaticContact CE2-CZ2 3.96Å; W22-W141 HydrophobicContact CE3-CZ2 4.49Å; W22-W141 AromaticContact CE3-NE1 3.59Å; W22-W141 HydrophobicContact CG-CZ2 4.18Å; W22-W141 HydrophobicContact CZ2-CZ2 4.49Å; W22-W141 AromaticContact CZ3-NE1 3.96Å; C27-W141 HydrophobicContact CB-CH2 4.1Å; C27-W141 HydrophobicContact CB-CZ2 3.97Å; F28-W141 HydrophobicContact CB-CB 4.42Å; F28-W141 HydrophobicContact CB-CD2 3.93Å; F28-W141 HydrophobicContact CB-CE3 4.26Å; F28-W141 HydrophobicContact CB-CG 4Å; F28-W141 HydrophobicContact CD2-CB 3.65Å; F28-W141 HydrophobicContact CD2-CD2 4.11Å; F28-W141 AromaticContact CD2-CE3 3.95Å; F28-W141 HydrophobicContact CD2-CE3 3.95Å; F28-W141 HydrophobicContact CD2-CG 4.03Å; F28-W141 HydrophobicContact CE2-CB 4.07Å; F28-W141 HydrophobicContact CG-CB 4Å; F28-W141 HydrophobicContact CG-CD2 4.34Å; F28-W141 HydrophobicContact CG-CG 4.12Å; C31-W141 HydrophobicContact CB-CZ3 4.01Å; D66-W141 PolarHBondContact OD1-N 3.41Å; R70-W141 VanDerWaalsContact NH1-CD2 3.32Å; R81-W141 WeakPolarHBondContact CD-O 3.41Å; G139-W141 PolarHBondContact O-N 2.88Å; W141-H802 HydrophobicContact CH2-CB 3.31Å; W141-H802 AromaticContact CH2-CD2 3.67Å; W141-H802 AromaticContact CH2-CG 3.56Å; W141-H802 HydrophobicContact CZ2-CB 4.34Å; W141-H802 AromaticContact CZ2-CD2 3.86Å; W141-H802 HydrophobicContact CZ3-CB 3.52Å; W141-H802 AromaticContact CZ3-CG 3.96Å
142I96.3Very high95Very high13 Ų1337.1 Ų37.17%0.06718%0.18CC..  trans-153.2145.9-179.8-167.9155.8000110.1F43 D45 R81 F83 V135 R140 F144F43-I142 HydrophobicContact CE1-CD1 4.45Å; D45-I142 HydrophobicContact CB-CD1 4.34Å; D45-I142 WeakPolarHBondContact OD2-CD1 3.48Å; R81-I142 HydrophobicContact CB-CB 4.48Å; R81-I142 HydrophobicContact CB-CG1 4.11Å; R81-I142 WeakPolarHBondContact O-CG1 3.46Å; F83-I142 HydrophobicContact CB-CD1 4.18Å; F83-I142 HydrophobicContact CB-CG1 4.05Å; F83-I142 HydrophobicContact CD2-CD1 3.87Å; F83-I142 HydrophobicContact CD2-CG1 4.21Å; F83-I142 HydrophobicContact CD2-CG2 3.79Å; F83-I142 HydrophobicContact CG-CD1 4.43Å; V135-I142 HydrophobicContact CG1-CG2 3.85Å; R140-I142 HydrophobicContact CG-CB 4.39Å; R140-I142 HydrophobicContact CG-CG2 4.05Å; R140-I142 PolarHBondContact O-N 3.44Å; I142-F144 HydrophobicContact CG2-CD2 4.1Å; I142-F144 HydrophobicContact CG2-CE2 3.55Å; I142-F144 HydrophobicContact CG2-CZ 4.24Å; I142-F144 PolarHBondContact O-N 3.32Å
143D94.9Very high95.2Very high23 Ų2337 Ų3712%0.12318%0.183CC..EExtended strand (participates in β ladder)trans-83.5114.6-176.3-164.6-14.4000111.3F28 R81 F83 K145 N146F28-D143 HydrophobicContact CE1-CB 4.1Å; R81-D143 VanDerWaalsContact O-CB 3.3Å; R81-D143 WeakPolarHBondContact O-CB 3.41Å; R81-D143 PolarHBondContact O-N 2.98Å; F83-D143 WeakPolarHBondContact CB-O 3.31Å; F83-D143 PolarHBondContact N-O 2.91Å; D143-K145 WeakPolarHBondContact OD1-CA 3.47Å; D143-K145 WeakPolarHBondContact OD1-CB 3.14Å; D143-K145 PolarHBondContact OD1-N 2.85Å; D143-N146 PolarHBondContact OD1-N 3.41Å; D143-N146 WeakPolarHBondContact OD2-CB 3.15Å
144F92.4Very high95.5Very high21 Ų2137.4 Ų37.49%0.09217%0.171CC..EExtended strand (participates in β ladder)trans-94.4-14.3171.9-78.1-87.4000113.1F83 W85 E132 V135 I142F83-F144 HydrophobicContact CB-CD1 4.14Å; F83-F144 HydrophobicContact CB-CE1 4.14Å; F83-F144 HydrophobicContact CB-CG 4.47Å; F83-F144 HydrophobicContact CB-CZ 4.47Å; F83-F144 HydrophobicContact CD1-CD1 4.31Å; F83-F144 AromaticContact CD1-CE1 3.76Å; F83-F144 HydrophobicContact CD1-CE1 3.76Å; F83-F144 HydrophobicContact CD1-CZ 4.38Å; F83-F144 HydrophobicContact CD2-CD1 4.41Å; F83-F144 AromaticContact CD2-CE1 3.6Å; F83-F144 HydrophobicContact CD2-CE1 3.6Å; F83-F144 HydrophobicContact CD2-CE2 4.01Å; F83-F144 AromaticContact CD2-CZ 3.36Å; F83-F144 HydrophobicContact CD2-CZ 3.36Å; F83-F144 HydrophobicContact CE1-CE1 4.04Å; F83-F144 AromaticContact CE2-CE1 3.86Å; F83-F144 HydrophobicContact CE2-CE1 3.86Å; F83-F144 HydrophobicContact CE2-CE2 4.46Å; F83-F144 AromaticContact CE2-CZ 3.53Å; F83-F144 HydrophobicContact CE2-CZ 3.53Å; F83-F144 HydrophobicContact CG-CD1 4.04Å; F83-F144 AromaticContact CG-CE1 3.55Å; F83-F144 HydrophobicContact CG-CE1 3.55Å; F83-F144 AromaticContact CG-CZ 3.83Å; F83-F144 HydrophobicContact CG-CZ 3.83Å; F83-F144 HydrophobicContact CZ-CE1 4.08Å; F83-F144 HydrophobicContact CZ-CZ 4.14Å; W85-F144 HydrophobicContact CZ2-CE1 4.18Å; E132-F144 HydrophobicContact CB-CD1 3.97Å; E132-F144 HydrophobicContact CB-CD2 4.38Å; E132-F144 HydrophobicContact CB-CE1 4.01Å; E132-F144 HydrophobicContact CB-CE2 4.4Å; E132-F144 HydrophobicContact CB-CG 4.16Å; E132-F144 HydrophobicContact CB-CZ 4.22Å; E132-F144 HydrophobicContact CG-CB 4.28Å; E132-F144 HydrophobicContact CG-CD1 4.18Å; E132-F144 HydrophobicContact CG-CD2 3.85Å; E132-F144 HydrophobicContact CG-CE1 4.5Å; E132-F144 HydrophobicContact CG-CE2 4.17Å; E132-F144 HydrophobicContact CG-CG 3.85Å; E132-F144 HydrophobicContact CG-CZ 4.49Å; V135-F144 HydrophobicContact CB-CE2 3.99Å; V135-F144 HydrophobicContact CB-CZ 3.8Å; V135-F144 HydrophobicContact CG1-CE2 3.69Å; V135-F144 HydrophobicContact CG1-CZ 3.81Å; V135-F144 HydrophobicContact CG2-CZ 4.03Å; I142-F144 HydrophobicContact CG2-CD2 4.1Å; I142-F144 HydrophobicContact CG2-CE2 3.55Å; I142-F144 HydrophobicContact CG2-CZ 4.24Å; I142-F144 PolarHBondContact O-N 3.32Å
145K90.8Very high95.7Very high177 Ų17735.5 Ų35.577%0.7716%0.159SC*.EExtended strand (participates in β ladder)trans-81.5-46.1179.5-65.3-179.6-178.81730110.8D143 D147D143-K145 WeakPolarHBondContact OD1-CA 3.47Å; D143-K145 WeakPolarHBondContact OD1-CB 3.14Å; D143-K145 PolarHBondContact OD1-N 2.85Å; K145-D147 VanDerWaalsContact C-N 3.3Å; K145-D147 PolarHBondContact O-N 2.93Å
146N91.8Very high95.9Very high92 Ų9234.9 Ų34.949%0.49216%0.155SC..EExtended strand (participates in β ladder)trans-98.144.3173.5-168.229.3000110.9R82 D143R82-N146 PolarHBondContact NE-O 2.96Å; R82-N146 PolarHBondContact NH2-O 3.07Å; D143-N146 PolarHBondContact OD1-N 3.41Å; D143-N146 WeakPolarHBondContact OD2-CB 3.15Å
147D93.3Very high96Very high7 Ų730.7 Ų30.74%0.03714%0.14CC..EExtended strand (participates in β ladder)trans-71.4177.6178.879.6-2.8000111.8R82 F83 W85 K145 K149 Y152R82-D147 PolarHBondContact NH2-O 3.31Å; F83-D147 HydrophobicContact CB-CB 4.29Å; F83-D147 WeakPolarHBondContact O-CA 3.43Å; F83-D147 VanDerWaalsContact O-CB 3.3Å; F83-D147 WeakPolarHBondContact O-CB 3.37Å; W85-D147 VanDerWaalsContact CD1-OD2 3.23Å; W85-D147 PolarHBondContact NE1-OD2 2.82Å; K145-D147 VanDerWaalsContact C-N 3.3Å; K145-D147 PolarHBondContact O-N 2.93Å; D147-K149 IonicContact OD1-NZ 3.69Å; D147-K149 PolarHBondContact OD1-NZ 3.26Å; D147-K149 WeakPolarHBondContact OD2-CE 3.31Å; D147-K149 IonicContact OD2-NZ 3.98Å; D147-K149 PolarHBondContact OD2-NZ 2.94Å; D147-Y152 PolarHBondContact OD1-OH 2.77Å
148Y95.2Very high96.1Very high0 Ų028.6 Ų28.60%013%0.132CC..EExtended strand (participates in β ladder)trans-125.9142.4165.971-90.8000109.5D45 P47 F83 G84 W85 F155 M533 Q537D45-Y148 PolarHBondContact O-OH 3.03Å; P47-Y148 HydrophobicContact CB-CE2 4.1Å; P47-Y148 WeakPolarHBondContact CB-OH 3.37Å; P47-Y148 WeakPolarHBondContact CD-OH 3.47Å; P47-Y148 HydrophobicContact CG-CE2 4.38Å; F83-Y148 VanDerWaalsContact O-CD1 3.31Å; F83-Y148 WeakPolarHBondContact O-CD1 3.39Å; F83-Y148 PolarHBondContact O-N 3.23Å; G84-Y148 CarbonylContact C-O 3.6Å; G84-Y148 WeakPolarHBondContact CA-O 3.09Å; G84-Y148 WeakPolarHBondContact CA-OH 3.28Å; W85-Y148 PolarHBondContact N-O 2.81Å; Y148-F155 HydrophobicContact CD2-CD2 4.14Å; Y148-F155 AromaticContact CD2-CE2 3.6Å; Y148-F155 HydrophobicContact CD2-CE2 3.6Å; Y148-F155 HydrophobicContact CE2-CE2 4.12Å; Y148-F155 HydrophobicContact CG-CE2 4.47Å; Y148-M533 HydrophobicContact CD1-CE 4.06Å; Y148-M533 HydrophobicContact CD2-CG 4.31Å; Y148-M533 HydrophobicContact CE1-CE 3.16Å; Y148-M533 HydrophobicContact CE1-CG 4.15Å; Y148-M533 HydrophobicContact CE2-CB 4.38Å; Y148-M533 HydrophobicContact CE2-CE 4.24Å; Y148-M533 HydrophobicContact CE2-CG 3.43Å; Y148-M533 VanDerWaalsContact CE2-CG 3.43Å; Y148-M533 VanDerWaalsContact OH-CE 3.27Å; Y148-M533 WeakPolarHBondContact OH-CE 3.34Å; Y148-M533 WeakPolarHBondContact OH-CG 3.32Å; Y148-Q537 HydrophobicContact CD1-CB 3.97Å; Y148-Q537 HydrophobicContact CD2-CB 4.39Å; Y148-Q537 HydrophobicContact CG-CB 3.89Å
149K96.1Very high96.2Very high13 Ų1328.1 Ų28.16%0.05713%0.13CC..EExtended strand (participates in β ladder)trans-129.2137.2177.1-58.5-164.9173.1670108.5W85 M125 D147 L151 Y152W85-K149 HydrophobicContact CB-CB 4.37Å; W85-K149 HydrophobicContact CB-CG 3.96Å; W85-K149 HydrophobicContact CG-CG 4.26Å; M125-K149 HydrophobicContact CE-CD 4.47Å; M125-K149 HydrophobicContact SD-CD 4.49Å; D147-K149 IonicContact OD1-NZ 3.69Å; D147-K149 PolarHBondContact OD1-NZ 3.26Å; D147-K149 WeakPolarHBondContact OD2-CE 3.31Å; D147-K149 IonicContact OD2-NZ 3.98Å; D147-K149 PolarHBondContact OD2-NZ 2.94Å; K149-L151 HydrophobicContact CB-CD1 4.24Å; K149-L151 HydrophobicContact CB-CG 4.07Å; K149-L151 PolarHBondContact O-N 3.14Å; K149-L151 VanDerWaalsContact O-N 3.12Å; K149-Y152 HydrophobicContact CB-CD1 4.32Å; K149-Y152 HydrophobicContact CB-CD2 3.72Å; K149-Y152 HydrophobicContact CB-CE1 4.21Å; K149-Y152 HydrophobicContact CB-CE2 3.61Å; K149-Y152 HydrophobicContact CB-CG 4.09Å; K149-Y152 HydrophobicContact CD-CE1 4.22Å; K149-Y152 HydrophobicContact CD-CE2 4.3Å; K149-Y152 HydrophobicContact CG-CD2 4.23Å; K149-Y152 HydrophobicContact CG-CE1 4.3Å; K149-Y152 HydrophobicContact CG-CE2 3.58Å; K149-Y152 VanDerWaalsContact N-CD2 3.26Å; K149-Y152 PolarHBondContact NZ-OH 3.44Å; K149-Y152 WeakPolarHBondContact O-CB 3.15Å; K149-Y152 WeakPolarHBondContact O-CD2 3.37Å; K149-Y152 PolarHBondContact O-N 2.98Å
150T96.9Very high96.3Very high0 Ų028 Ų280%013%0.129CC..THydrogen-bonded Turntrans-63.2-20.4179.859.30000113.2W85 C87 H88 Y152 F155 M156 E529W85-T150 PolarHBondContact O-N 3.17Å; W85-T150 VanDerWaalsContact O-N 3.09Å; C87-T150 PolarHBondContact N-OG1 3.42Å; H88-T150 PolarHBondContact CE1-O 3.09Å; T150-Y152 VanDerWaalsContact C-N 3.29Å; T150-Y152 PolarHBondContact O-N 3.43Å; T150-F155 HydrophobicContact CG2-CD1 4.33Å; T150-F155 HydrophobicContact CG2-CE1 3.74Å; T150-F155 HydrophobicContact CG2-CZ 3.91Å; T150-M156 WeakPolarHBondContact O-CG 3.33Å; T150-E529 WeakPolarHBondContact CB-OE2 3.4Å; T150-E529 HydrophobicContact CG2-CB 4.06Å; T150-E529 PolarHBondContact OG1-OE2 3.35Å
151L96.3Very high96.4Very high12 Ų1228.7 Ų28.76%0.06313%0.132CC..THydrogen-bonded Turntrans-78-4.1174.966.170.5000114.9C87 R121 V124 K149 W463C87-L151 HydrophobicContact CB-CB 4.03Å; C87-L151 HydrophobicContact CB-CD2 3.75Å; C87-L151 HydrophobicContact CB-CG 3.9Å; R121-L151 HydrophobicContact CG-CD2 4.41Å; V124-L151 HydrophobicContact CG1-CD2 4.08Å; K149-L151 HydrophobicContact CB-CD1 4.24Å; K149-L151 HydrophobicContact CB-CG 4.07Å; K149-L151 PolarHBondContact O-N 3.14Å; K149-L151 VanDerWaalsContact O-N 3.12Å; L151-W463 HydrophobicContact CB-CH2 4.49Å; L151-W463 HydrophobicContact CB-CZ2 4.32Å; L151-W463 HydrophobicContact CD2-CH2 4.46Å; L151-W463 HydrophobicContact CD2-CZ2 4.07Å
152Y97.4Very high96.4Very high57 Ų5727.7 Ų27.722%0.22413%0.128CC..SBendtrans-73.9136.5-179.8-71-35000111.3D147 K149 T150 W154 F155 M156D147-Y152 PolarHBondContact OD1-OH 2.77Å; K149-Y152 HydrophobicContact CB-CD1 4.32Å; K149-Y152 HydrophobicContact CB-CD2 3.72Å; K149-Y152 HydrophobicContact CB-CE1 4.21Å; K149-Y152 HydrophobicContact CB-CE2 3.61Å; K149-Y152 HydrophobicContact CB-CG 4.09Å; K149-Y152 HydrophobicContact CD-CE1 4.22Å; K149-Y152 HydrophobicContact CD-CE2 4.3Å; K149-Y152 HydrophobicContact CG-CD2 4.23Å; K149-Y152 HydrophobicContact CG-CE1 4.3Å; K149-Y152 HydrophobicContact CG-CE2 3.58Å; K149-Y152 VanDerWaalsContact N-CD2 3.26Å; K149-Y152 PolarHBondContact NZ-OH 3.44Å; K149-Y152 WeakPolarHBondContact O-CB 3.15Å; K149-Y152 WeakPolarHBondContact O-CD2 3.37Å; K149-Y152 PolarHBondContact O-N 2.98Å; T150-Y152 VanDerWaalsContact C-N 3.29Å; T150-Y152 PolarHBondContact O-N 3.43Å; Y152-W154 VanDerWaalsContact C-N 3.29Å; Y152-W154 AromaticContact CD2-CE2 3.72Å; Y152-W154 AromaticContact CD2-CH2 3.95Å; Y152-W154 HydrophobicContact CD2-CH2 3.95Å; Y152-W154 AromaticContact CD2-CZ2 3.24Å; Y152-W154 HydrophobicContact CD2-CZ2 3.24Å; Y152-W154 AromaticContact CE2-CZ2 3.98Å; Y152-W154 HydrophobicContact CE2-CZ2 3.98Å; Y152-W154 AromaticContact CG-CE2 3.96Å; Y152-W154 AromaticContact CG-CZ2 3.96Å; Y152-W154 HydrophobicContact CG-CZ2 3.96Å; Y152-W154 AromaticContact CG-NE1 3.9Å; Y152-W154 PolarHBondContact O-N 2.74Å; Y152-F155 WeakPolarHBondContact O-CA 3.46Å; Y152-F155 WeakPolarHBondContact O-CB 3.48Å; Y152-F155 PolarHBondContact O-N 2.6Å; Y152-M156 WeakPolarHBondContact O-CG 3.42Å; Y152-M156 PolarHBondContact O-N 2.82Å
153P97.5Very high96.5Very high42 Ų4227.1 Ų27.127%0.27313%0.125SC..Hα-helixtrans-54-42.5-177.1-28.234.8000113.6F155 M156 E157 M484 T496P153-F155 VanDerWaalsContact C-N 3.34Å; P153-F155 PolarHBondContact O-N 3.3Å; P153-M156 PolarHBondContact O-N 3Å; P153-E157 WeakPolarHBondContact O-CB 3.41Å; P153-E157 PolarHBondContact O-N 2.89Å; P153-M484 HydrophobicContact CB-CE 3.39Å; P153-M484 VanDerWaalsContact O-CE 3.23Å; P153-M484 WeakPolarHBondContact O-CE 3.33Å; P153-T496 WeakPolarHBondContact CB-O 3.49Å; P153-T496 VanDerWaalsContact CG-O 3.29Å; P153-T496 WeakPolarHBondContact CG-O 3.42Å
154W97.4Very high96.7Very high71 Ų7128 Ų2827%0.26913%0.128SC..Hα-helixtrans-67.2-31.3177.751.9-102.3000113.6Y152 T158 A536 H539Y152-W154 VanDerWaalsContact C-N 3.29Å; Y152-W154 AromaticContact CD2-CE2 3.72Å; Y152-W154 AromaticContact CD2-CH2 3.95Å; Y152-W154 HydrophobicContact CD2-CH2 3.95Å; Y152-W154 AromaticContact CD2-CZ2 3.24Å; Y152-W154 HydrophobicContact CD2-CZ2 3.24Å; Y152-W154 AromaticContact CE2-CZ2 3.98Å; Y152-W154 HydrophobicContact CE2-CZ2 3.98Å; Y152-W154 AromaticContact CG-CE2 3.96Å; Y152-W154 AromaticContact CG-CZ2 3.96Å; Y152-W154 HydrophobicContact CG-CZ2 3.96Å; Y152-W154 AromaticContact CG-NE1 3.9Å; Y152-W154 PolarHBondContact O-N 2.74Å; W154-T158 PolarHBondContact O-N 3.28Å; W154-T158 PolarHBondContact O-OG1 2.88Å; W154-T158 VanDerWaalsContact O-OG1 3.05Å; W154-A536 VanDerWaalsContact CE3-O 3.3Å; W154-A536 WeakPolarHBondContact CZ3-O 3.14Å; W154-H539 HydrophobicContact CB-CB 4.21Å; W154-H539 HydrophobicContact CE3-CB 4.34Å; W154-H539 PolarHBondContact O-CD2 3.08Å
155F98.4Very high97Very high0 Ų029.6 Ų29.60%014%0.135CC..Hα-helixtrans-70.2-48.6174.7-166.5-73.9000109.7Y148 T150 Y152 P153 E157 T158 V159 E529 M533 A536Y148-F155 HydrophobicContact CD2-CD2 4.14Å; Y148-F155 AromaticContact CD2-CE2 3.6Å; Y148-F155 HydrophobicContact CD2-CE2 3.6Å; Y148-F155 HydrophobicContact CE2-CE2 4.12Å; Y148-F155 HydrophobicContact CG-CE2 4.47Å; T150-F155 HydrophobicContact CG2-CD1 4.33Å; T150-F155 HydrophobicContact CG2-CE1 3.74Å; T150-F155 HydrophobicContact CG2-CZ 3.91Å; Y152-F155 WeakPolarHBondContact O-CA 3.46Å; Y152-F155 WeakPolarHBondContact O-CB 3.48Å; Y152-F155 PolarHBondContact O-N 2.6Å; P153-F155 VanDerWaalsContact C-N 3.34Å; P153-F155 PolarHBondContact O-N 3.3Å; F155-E157 VanDerWaalsContact C-N 3.33Å; F155-E157 PolarHBondContact O-N 2.9Å; F155-T158 WeakPolarHBondContact O-CB 3.48Å; F155-T158 PolarHBondContact O-N 3.18Å; F155-V159 HydrophobicContact CD1-CG2 3.98Å; F155-V159 HydrophobicContact CE1-CG2 3.93Å; F155-V159 WeakPolarHBondContact O-CG2 3.34Å; F155-V159 PolarHBondContact O-N 3.42Å; F155-E529 HydrophobicContact CE1-CB 4.4Å; F155-E529 WeakPolarHBondContact CE1-O 3.43Å; F155-M533 HydrophobicContact CZ-CB 4.29Å; F155-A536 HydrophobicContact CD1-CB 3.72Å; F155-A536 HydrophobicContact CD2-CB 3.56Å; F155-A536 HydrophobicContact CE1-CB 3.61Å; F155-A536 HydrophobicContact CE2-CB 3.47Å; F155-A536 VanDerWaalsContact CE2-CB 3.47Å; F155-A536 HydrophobicContact CG-CB 3.69Å; F155-A536 HydrophobicContact CZ-CB 3.5Å; F155-A536 VanDerWaalsContact CZ-CB 3.5Å
156M98.6Very high97.3Very high0 Ų021.2 Ų21.20%010%0.099CC..Hα-helixtrans-60.6-39.8177.5-63.7169.678.800112.2T150 Y152 P153 T158 V159 W160 T465 L498 H499T150-M156 WeakPolarHBondContact O-CG 3.33Å; Y152-M156 WeakPolarHBondContact O-CG 3.42Å; Y152-M156 PolarHBondContact O-N 2.82Å; P153-M156 PolarHBondContact O-N 3Å; M156-T158 VanDerWaalsContact C-N 3.31Å; M156-T158 PolarHBondContact O-N 3.28Å; M156-V159 WeakPolarHBondContact O-CB 3.45Å; M156-V159 PolarHBondContact O-N 3.29Å; M156-V159 VanDerWaalsContact O-N 3.13Å; M156-W160 PolarHBondContact O-N 3Å; M156-T465 HydrophobicContact CB-CG2 3.96Å; M156-T465 HydrophobicContact CE-CG2 4.21Å; M156-T465 HydrophobicContact CG-CG2 4.19Å; M156-L498 HydrophobicContact CB-CB 4.39Å; M156-L498 HydrophobicContact CB-CD1 4.03Å; M156-L498 HydrophobicContact CE-CB 3.73Å; M156-L498 HydrophobicContact SD-CB 4.27Å; M156-H499 PolarHBondContact SD-CE1 2.96Å
157E98.6Very high97.6Very high18 Ų1819.9 Ų19.98%0.0849%0.087CC..Hα-helixtrans-63.1-39.3176.5-167.2179.7-152.100111.8P153 F155 V159 W160 W161 S483 M484 L498 H539 F542P153-E157 WeakPolarHBondContact O-CB 3.41Å; P153-E157 PolarHBondContact O-N 2.89Å; F155-E157 VanDerWaalsContact C-N 3.33Å; F155-E157 PolarHBondContact O-N 2.9Å; E157-V159 VanDerWaalsContact C-N 3.33Å; E157-V159 PolarHBondContact O-N 3.17Å; E157-W160 WeakPolarHBondContact O-CB 3.16Å; E157-W160 PolarHBondContact O-N 2.8Å; E157-W161 PolarHBondContact O-N 2.87Å; E157-S483 WeakPolarHBondContact OE1-CB 3.33Å; E157-M484 HydrophobicContact CB-CE 4.16Å; E157-M484 HydrophobicContact CG-CG 4.17Å; E157-M484 WeakPolarHBondContact OE1-CB 3.34Å; E157-M484 PolarHBondContact OE1-N 3.19Å; E157-L498 HydrophobicContact CB-CD1 4.23Å; E157-H539 IonicContact OE2-CD2 2.71Å; E157-H539 IonicContact OE2-CE1 2.64Å; E157-H539 IonicContact OE2-NE2 2.62Å; E157-H539 PolarHBondContact OE2-NE2 3.27Å; E157-F542 HydrophobicContact CB-CE2 4.34Å; E157-F542 HydrophobicContact CG-CD2 4.38Å; E157-F542 HydrophobicContact CG-CE2 3.69Å; E157-F542 HydrophobicContact CG-CZ 3.79Å
158T98.6Very high97.8Very high0 Ų024 Ų240%011%0.109CC..Hα-helixtrans-65.5-37.8172.8-58.70000112W154 F155 M156 W160 W161 V162 Y535 A536 H539 Y540W154-T158 PolarHBondContact O-N 3.28Å; W154-T158 PolarHBondContact O-OG1 2.88Å; W154-T158 VanDerWaalsContact O-OG1 3.05Å; F155-T158 WeakPolarHBondContact O-CB 3.48Å; F155-T158 PolarHBondContact O-N 3.18Å; M156-T158 VanDerWaalsContact C-N 3.31Å; M156-T158 PolarHBondContact O-N 3.28Å; T158-W160 VanDerWaalsContact C-N 3.29Å; T158-W160 PolarHBondContact O-N 3.42Å; T158-W161 WeakPolarHBondContact O-CB 3.36Å; T158-W161 PolarHBondContact O-N 3.14Å; T158-V162 PolarHBondContact O-N 3.16Å; T158-Y535 HydrophobicContact CG2-CD2 3.63Å; T158-Y535 HydrophobicContact CG2-CE2 4.4Å; T158-A536 VanDerWaalsContact CG2-CA 3.41Å; T158-A536 HydrophobicContact CG2-CB 3.73Å; T158-H539 WeakPolarHBondContact OG1-CA 3.47Å; T158-Y540 WeakPolarHBondContact CG2-O 3.05Å; T158-Y540 PolarHBondContact OG1-O 3.26Å
159V98.6Very high97.9Very high0 Ų028.8 Ų28.80%013%0.13CC..Hα-helixtrans-61.1-40.4173.81730000110.7F155 M156 E157 V162 F163 T465 F524 F528F155-V159 HydrophobicContact CD1-CG2 3.98Å; F155-V159 HydrophobicContact CE1-CG2 3.93Å; F155-V159 WeakPolarHBondContact O-CG2 3.34Å; F155-V159 PolarHBondContact O-N 3.42Å; M156-V159 WeakPolarHBondContact O-CB 3.45Å; M156-V159 PolarHBondContact O-N 3.29Å; M156-V159 VanDerWaalsContact O-N 3.13Å; E157-V159 VanDerWaalsContact C-N 3.33Å; E157-V159 PolarHBondContact O-N 3.17Å; V159-V162 PolarHBondContact O-N 3.49Å; V159-F163 PolarHBondContact O-N 3.18Å; V159-T465 HydrophobicContact CB-CG2 4.28Å; V159-T465 HydrophobicContact CG1-CG2 4.03Å; V159-F524 HydrophobicContact CG1-CD2 3.95Å; V159-F524 HydrophobicContact CG1-CE2 3.99Å; V159-F524 HydrophobicContact CG1-CG 4.49Å; V159-F528 HydrophobicContact CG1-CD1 3.79Å; V159-F528 HydrophobicContact CG1-CE1 3.87Å
160W98.7Very high97.9Very high0 Ų030.3 Ų30.30%015%0.149CC..Hα-helixtrans-61.6-45.4172.2-76.917.3000112.1M156 E157 T158 V162 F163 K164 P466 P468 W470 V481 L487 L498 I503M156-W160 PolarHBondContact O-N 3Å; E157-W160 WeakPolarHBondContact O-CB 3.16Å; E157-W160 PolarHBondContact O-N 2.8Å; T158-W160 VanDerWaalsContact C-N 3.29Å; T158-W160 PolarHBondContact O-N 3.42Å; W160-V162 VanDerWaalsContact C-N 3.33Å; W160-V162 PolarHBondContact O-N 3.23Å; W160-F163 PolarHBondContact O-N 3.19Å; W160-K164 WeakPolarHBondContact O-CB 3.43Å; W160-K164 PolarHBondContact O-N 2.93Å; W160-P466 PolarHBondContact NE1-O 2.96Å; W160-P468 HydrophobicContact CB-CG 4.14Å; W160-P468 HydrophobicContact CD2-CB 3.51Å; W160-P468 HydrophobicContact CD2-CG 3.96Å; W160-P468 HydrophobicContact CE3-CB 3.76Å; W160-P468 HydrophobicContact CG-CB 3.89Å; W160-P468 HydrophobicContact CG-CG 3.77Å; W160-P468 HydrophobicContact CH2-CB 4.16Å; W160-P468 HydrophobicContact CZ2-CB 3.93Å; W160-P468 HydrophobicContact CZ3-CB 4.09Å; W160-W470 AromaticContact CH2-CH2 3.87Å; W160-W470 HydrophobicContact CH2-CH2 3.87Å; W160-W470 HydrophobicContact CH2-CZ3 4.37Å; W160-W470 HydrophobicContact CZ3-CH2 4.42Å; W160-V481 HydrophobicContact CE3-CG1 4.22Å; W160-V481 HydrophobicContact CZ3-CB 4.42Å; W160-V481 HydrophobicContact CZ3-CG1 3.98Å; W160-L487 HydrophobicContact CH2-CD2 3.98Å; W160-L487 HydrophobicContact CZ3-CB 4.43Å; W160-L487 HydrophobicContact CZ3-CD2 4.05Å; W160-L498 HydrophobicContact CD2-CD1 4.08Å; W160-L498 HydrophobicContact CE3-CD1 4.3Å; W160-L498 HydrophobicContact CE3-CD2 4.4Å; W160-L498 HydrophobicContact CH2-CD2 3.5Å; W160-L498 VanDerWaalsContact CH2-CD2 3.5Å; W160-L498 HydrophobicContact CH2-CG 4.49Å; W160-L498 HydrophobicContact CZ2-CB 4.4Å; W160-L498 HydrophobicContact CZ2-CD1 4.32Å; W160-L498 HydrophobicContact CZ2-CD2 3.85Å; W160-L498 HydrophobicContact CZ2-CG 4.41Å; W160-L498 HydrophobicContact CZ3-CD2 3.81Å; W160-I503 HydrophobicContact CH2-CD1 3.84Å; W160-I503 HydrophobicContact CZ2-CD1 3.58Å
161W98.7Very high97.8Very high36 Ų3631.2 Ų31.214%0.13615%0.154CC..Hα-helixtrans-56.5-47.8175.1171.881.1000111.3E157 T158 F163 K164 Q165 G482 Y540 P541 F542 L578 F579E157-W161 PolarHBondContact O-N 2.87Å; T158-W161 WeakPolarHBondContact O-CB 3.36Å; T158-W161 PolarHBondContact O-N 3.14Å; W161-F163 PolarHBondContact O-N 3.43Å; W161-K164 PolarHBondContact O-N 3.42Å; W161-Q165 HydrophobicContact CD2-CG 3.97Å; W161-Q165 VanDerWaalsContact CE2-CG 3.4Å; W161-Q165 HydrophobicContact CE3-CG 4.48Å; W161-Q165 HydrophobicContact CH2-CG 3.91Å; W161-Q165 HydrophobicContact CZ2-CG 3.4Å; W161-Q165 HydrophobicContact CZ3-CG 4.45Å; W161-Q165 WeakPolarHBondContact O-CG 3.32Å; W161-Q165 PolarHBondContact O-N 3.25Å; W161-G482 WeakPolarHBondContact CA-O 3.24Å; W161-G482 PolarHBondContact N-O 3.3Å; W161-Y540 HydrophobicContact CE3-CD1 4.32Å; W161-Y540 HydrophobicContact CE3-CE1 4.45Å; W161-Y540 HydrophobicContact CH2-CD1 4.07Å; W161-Y540 AromaticContact CH2-CE1 3.43Å; W161-Y540 HydrophobicContact CH2-CE1 3.43Å; W161-Y540 VanDerWaalsContact CH2-CE1 3.43Å; W161-Y540 AromaticContact CZ2-CE1 3.9Å; W161-Y540 HydrophobicContact CZ2-CE1 3.9Å; W161-Y540 AromaticContact CZ3-CD1 3.85Å; W161-Y540 HydrophobicContact CZ3-CD1 3.85Å; W161-Y540 AromaticContact CZ3-CE1 3.7Å; W161-Y540 HydrophobicContact CZ3-CE1 3.7Å; W161-P541 VanDerWaalsContact CD2-CD 3.45Å; W161-P541 HydrophobicContact CD2-CG 3.94Å; W161-P541 HydrophobicContact CG-CG 3.95Å; W161-P541 HydrophobicContact CZ2-CG 4.36Å; W161-F542 HydrophobicContact CB-CE2 4.11Å; W161-F542 HydrophobicContact CB-CZ 4.05Å; W161-L578 HydrophobicContact CH2-CD2 4.49Å; W161-L578 HydrophobicContact CZ3-CD1 4.33Å; W161-F579 HydrophobicContact CH2-CE1 4.47Å; W161-F579 HydrophobicContact CH2-CZ 4.16Å
162V98.6Very high97.7Very high0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-59.3-48.1177.21630000112.1T158 V159 W160 K164 Q165 L166 F528 Y535 L574 L578T158-V162 PolarHBondContact O-N 3.16Å; V159-V162 PolarHBondContact O-N 3.49Å; W160-V162 VanDerWaalsContact C-N 3.33Å; W160-V162 PolarHBondContact O-N 3.23Å; V162-K164 VanDerWaalsContact C-N 3.3Å; V162-K164 PolarHBondContact O-N 3.05Å; V162-Q165 PolarHBondContact O-N 3.34Å; V162-Q165 VanDerWaalsContact O-N 3.17Å; V162-L166 HydrophobicContact CG1-CD1 4.3Å; V162-L166 WeakPolarHBondContact O-CG 3.08Å; V162-L166 PolarHBondContact O-N 2.7Å; V162-F528 HydrophobicContact CG1-CE1 4.06Å; V162-F528 HydrophobicContact CG1-CZ 3.81Å; V162-Y535 HydrophobicContact CB-CE2 4.15Å; V162-Y535 HydrophobicContact CG1-CE2 4.46Å; V162-Y535 HydrophobicContact CG2-CD2 3.64Å; V162-Y535 HydrophobicContact CG2-CE1 4.48Å; V162-Y535 HydrophobicContact CG2-CE2 3.06Å; V162-L574 HydrophobicContact CG1-CD2 4.14Å; V162-L578 HydrophobicContact CB-CD1 4.38Å; V162-L578 HydrophobicContact CG1-CD1 3.97Å; V162-L578 HydrophobicContact CG1-CD2 4.44Å; V162-L578 HydrophobicContact CG2-CD1 3.66Å
163F98.6Very high97.4Very high0 Ų029.7 Ų29.70%015%0.149CC..Hα-helixtrans-59.9-43.5178.2178.7-101000111.6V159 W160 W161 Q165 L166 Y167 V172 I457 I467 P468 L469 F524 F528V159-F163 PolarHBondContact O-N 3.18Å; W160-F163 PolarHBondContact O-N 3.19Å; W161-F163 PolarHBondContact O-N 3.43Å; F163-Q165 VanDerWaalsContact C-N 3.34Å; F163-Q165 PolarHBondContact O-N 3.49Å; F163-L166 PolarHBondContact O-N 3.05Å; F163-Y167 WeakPolarHBondContact O-CB 3.31Å; F163-Y167 PolarHBondContact O-N 3.39Å; F163-V172 HydrophobicContact CD2-CG2 4.23Å; F163-V172 HydrophobicContact CE2-CB 4.42Å; F163-V172 HydrophobicContact CE2-CG1 3.71Å; F163-V172 HydrophobicContact CE2-CG2 3.86Å; F163-V172 HydrophobicContact CZ-CG1 3.78Å; F163-V172 HydrophobicContact CZ-CG2 4.43Å; F163-I457 HydrophobicContact CD2-CD1 3.85Å; F163-I457 HydrophobicContact CE2-CD1 3.53Å; F163-I467 HydrophobicContact CD1-CG2 4.42Å; F163-I467 HydrophobicContact CE1-CG2 3.78Å; F163-I467 HydrophobicContact CE2-CG2 4.16Å; F163-I467 HydrophobicContact CZ-CG2 3.61Å; F163-P468 HydrophobicContact CD1-CG 3.76Å; F163-P468 HydrophobicContact CE1-CG 4.32Å; F163-L469 HydrophobicContact CE1-CD1 4.04Å; F163-L469 HydrophobicContact CE1-CD2 3.85Å; F163-L469 HydrophobicContact CE1-CG 3.73Å; F163-L469 HydrophobicContact CZ-CD1 3.8Å; F163-L469 HydrophobicContact CZ-CD2 4.36Å; F163-L469 HydrophobicContact CZ-CG 4.04Å; F163-F524 HydrophobicContact CB-CE1 4.11Å; F163-F524 HydrophobicContact CB-CZ 3.57Å; F163-F524 HydrophobicContact CD1-CZ 4.11Å; F163-F524 AromaticContact CD2-CE1 3.44Å; F163-F524 HydrophobicContact CD2-CE1 3.44Å; F163-F524 VanDerWaalsContact CD2-CE1 3.44Å; F163-F524 AromaticContact CD2-CZ 3.58Å; F163-F524 HydrophobicContact CD2-CZ 3.58Å; F163-F524 AromaticContact CE2-CE1 3.99Å; F163-F524 HydrophobicContact CE2-CE1 3.99Å; F163-F524 HydrophobicContact CE2-CZ 4.24Å; F163-F524 AromaticContact CG-CE1 3.86Å; F163-F524 HydrophobicContact CG-CE1 3.86Å; F163-F524 AromaticContact CG-CZ 3.47Å; F163-F524 HydrophobicContact CG-CZ 3.47Å; F163-F524 VanDerWaalsContact CG-CZ 3.47Å; F163-F528 HydrophobicContact CB-CE1 4.22Å; F163-F528 HydrophobicContact CB-CZ 4.12Å; F163-F528 HydrophobicContact CD2-CZ 4.29Å
164K98.5Very high97Very high42 Ų4232.1 Ų32.118%0.18315%0.153CC..Hα-helixtrans-60.5-42175.1-171.3-179.9-171.5-35.80111.8W160 W161 V162 L166 Y167 D168 C480W160-K164 WeakPolarHBondContact O-CB 3.43Å; W160-K164 PolarHBondContact O-N 2.93Å; W161-K164 PolarHBondContact O-N 3.42Å; V162-K164 VanDerWaalsContact C-N 3.3Å; V162-K164 PolarHBondContact O-N 3.05Å; K164-L166 VanDerWaalsContact C-N 3.32Å; K164-L166 PolarHBondContact O-N 3.45Å; K164-Y167 PolarHBondContact O-N 2.94Å; K164-D168 IonicContact NZ-OD1 2.89Å; K164-D168 PolarHBondContact NZ-OD1 3.42Å; K164-D168 IonicContact NZ-OD2 3.53Å; K164-D168 PolarHBondContact NZ-OD2 3.41Å; K164-D168 WeakPolarHBondContact O-CB 3.46Å; K164-D168 PolarHBondContact O-N 2.95Å; K164-C480 WeakPolarHBondContact CE-O 3.14Å
165Q98.5Very high96.6Very high55 Ų5529.1 Ų29.126%0.25714%0.144SC..Hα-helixtrans-61.3-40.3175.4-67.5-50.4-68.400112.4W161 V162 F163 K169 L578W161-Q165 HydrophobicContact CD2-CG 3.97Å; W161-Q165 VanDerWaalsContact CE2-CG 3.4Å; W161-Q165 HydrophobicContact CE3-CG 4.48Å; W161-Q165 HydrophobicContact CH2-CG 3.91Å; W161-Q165 HydrophobicContact CZ2-CG 3.4Å; W161-Q165 HydrophobicContact CZ3-CG 4.45Å; W161-Q165 WeakPolarHBondContact O-CG 3.32Å; W161-Q165 PolarHBondContact O-N 3.25Å; V162-Q165 PolarHBondContact O-N 3.34Å; V162-Q165 VanDerWaalsContact O-N 3.17Å; F163-Q165 VanDerWaalsContact C-N 3.34Å; F163-Q165 PolarHBondContact O-N 3.49Å; Q165-K169 WeakPolarHBondContact O-CB 3.46Å; Q165-K169 WeakPolarHBondContact O-CG 3.36Å; Q165-K169 PolarHBondContact O-N 2.88Å; Q165-L578 HydrophobicContact CB-CD2 3.58Å; Q165-L578 HydrophobicContact CG-CD2 4.22Å
166L98.2Very high96Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-68.3-39.9175.7-61.1178.9000111.3V162 F163 K164 K169 G170 L171 V172 V417 F528 L574 A577 L578V162-L166 HydrophobicContact CG1-CD1 4.3Å; V162-L166 WeakPolarHBondContact O-CG 3.08Å; V162-L166 PolarHBondContact O-N 2.7Å; F163-L166 PolarHBondContact O-N 3.05Å; K164-L166 VanDerWaalsContact C-N 3.32Å; K164-L166 PolarHBondContact O-N 3.45Å; L166-K169 PolarHBondContact O-N 3.19Å; L166-G170 PolarHBondContact O-N 2.92Å; L166-L171 HydrophobicContact CB-CB 4.34Å; L166-L171 HydrophobicContact CD2-CD1 3.9Å; L166-L171 WeakPolarHBondContact O-CB 3.39Å; L166-L171 PolarHBondContact O-N 3Å; L166-V172 HydrophobicContact CB-CG2 3.75Å; L166-V417 HydrophobicContact CD1-CG1 4.34Å; L166-V417 HydrophobicContact CD1-CG2 4.02Å; L166-F528 HydrophobicContact CD1-CE2 3.83Å; L166-F528 HydrophobicContact CD1-CZ 3.9Å; L166-L574 HydrophobicContact CD1-CD2 3.79Å; L166-A577 HydrophobicContact CD2-CB 3.52Å; L166-L578 HydrophobicContact CD2-CD2 4.17Å
167Y97.6Very high95.4Very high65 Ų6533.7 Ų33.726%0.25517%0.165SC..Hα-helixtrans-62.7-50.9177.5-173.9-89.8000111.5F163 K164 K169 G170 V172 L469 V478 C480F163-Y167 WeakPolarHBondContact O-CB 3.31Å; F163-Y167 PolarHBondContact O-N 3.39Å; K164-Y167 PolarHBondContact O-N 2.94Å; Y167-K169 PolarHBondContact O-N 3.12Å; Y167-G170 PolarHBondContact O-N 3.16Å; Y167-V172 HydrophobicContact CD2-CB 4.03Å; Y167-V172 HydrophobicContact CD2-CG1 4.13Å; Y167-L469 HydrophobicContact CD2-CD2 4.13Å; Y167-L469 HydrophobicContact CE2-CD2 3.91Å; Y167-V478 HydrophobicContact CE2-CG1 4.44Å; Y167-V478 WeakPolarHBondContact OH-CG1 3.4Å; Y167-C480 HydrophobicContact CD1-CB 3.6Å; Y167-C480 HydrophobicContact CD2-CB 4.4Å; Y167-C480 HydrophobicContact CE1-CB 3.83Å; Y167-C480 HydrophobicContact CG-CB 3.91Å
168D97.6Very high95Very high92 Ų9233.9 Ų33.949%0.49217%0.167SC..Hα-helixtrans-61.5-29.5178.6-67.1-12.6000112K164 G170K164-D168 IonicContact NZ-OD1 2.89Å; K164-D168 PolarHBondContact NZ-OD1 3.42Å; K164-D168 IonicContact NZ-OD2 3.53Å; K164-D168 PolarHBondContact NZ-OD2 3.41Å; K164-D168 WeakPolarHBondContact O-CB 3.46Å; K164-D168 PolarHBondContact O-N 2.95Å; D168-G170 VanDerWaalsContact C-N 3.27Å; D168-G170 PolarHBondContact O-N 2.96Å
169K97.1Very high94.4Very high101 Ų10135.7 Ų35.744%0.43918%0.176SC..THydrogen-bonded Turntrans-80.31.4173.8-70.5177.4-171-168.60114Q165 L166 Y167 L171 A577 L578Q165-K169 WeakPolarHBondContact O-CB 3.46Å; Q165-K169 WeakPolarHBondContact O-CG 3.36Å; Q165-K169 PolarHBondContact O-N 2.88Å; L166-K169 PolarHBondContact O-N 3.19Å; Y167-K169 PolarHBondContact O-N 3.12Å; K169-L171 HydrophobicContact CB-CD1 4.16Å; K169-L171 HydrophobicContact CB-CG 3.92Å; K169-L171 HydrophobicContact CD-CD1 4.4Å; K169-L171 PolarHBondContact O-N 3.42Å; K169-A577 PolarHBondContact NZ-O 3.2Å; K169-L578 PolarHBondContact NZ-O 2.85Å
170G95Very high93.8Very high45 Ų4535.7 Ų35.746%0.46418%0.176SC..THydrogen-bonded Turntrans70.416.6-177.600000114.4L166 Y167 D168 R418L166-G170 PolarHBondContact O-N 2.92Å; Y167-G170 PolarHBondContact O-N 3.16Å; D168-G170 VanDerWaalsContact C-N 3.27Å; D168-G170 PolarHBondContact O-N 2.96Å; G170-R418 PolarHBondContact O-NE 2.79Å
171L95.1Very high93.4Very high19 Ų1936.2 Ų36.210%0.09918%0.178CC..  trans-86-11.3-178.9-58.6-177.1000112.7L166 K169 V417 R418 H421 M422 A577L166-L171 HydrophobicContact CB-CB 4.34Å; L166-L171 HydrophobicContact CD2-CD1 3.9Å; L166-L171 WeakPolarHBondContact O-CB 3.39Å; L166-L171 PolarHBondContact O-N 3Å; K169-L171 HydrophobicContact CB-CD1 4.16Å; K169-L171 HydrophobicContact CB-CG 3.92Å; K169-L171 HydrophobicContact CD-CD1 4.4Å; K169-L171 PolarHBondContact O-N 3.42Å; L171-V417 CarbonylContact O-C 3.57Å; L171-V417 WeakPolarHBondContact O-CA 3.46Å; L171-R418 WeakPolarHBondContact O-CG 3.48Å; L171-R418 PolarHBondContact O-N 3.04Å; L171-H421 WeakPolarHBondContact CD2-CE1 3.48Å; L171-H421 VanDerWaalsContact CD2-NE2 3.33Å; L171-H421 WeakPolarHBondContact CD2-NE2 3.41Å; L171-M422 HydrophobicContact CD1-CE 4.02Å; L171-M422 HydrophobicContact CD2-CE 4.5Å; L171-A577 HydrophobicContact CD1-CB 4.04Å
172V94.9Very high92.7Very high14 Ų1434.5 Ų34.59%0.08517%0.172CC..EExtended strand (participates in β ladder)trans-104.3135177.9178.60000109.7F163 L166 Y167 W415 F416 V417F163-V172 HydrophobicContact CD2-CG2 4.23Å; F163-V172 HydrophobicContact CE2-CB 4.42Å; F163-V172 HydrophobicContact CE2-CG1 3.71Å; F163-V172 HydrophobicContact CE2-CG2 3.86Å; F163-V172 HydrophobicContact CZ-CG1 3.78Å; F163-V172 HydrophobicContact CZ-CG2 4.43Å; L166-V172 HydrophobicContact CB-CG2 3.75Å; Y167-V172 HydrophobicContact CD2-CB 4.03Å; Y167-V172 HydrophobicContact CD2-CG1 4.13Å; V172-W415 HydrophobicContact CG1-CE3 3.81Å; V172-W415 HydrophobicContact CG1-CZ3 4.34Å; V172-F416 VanDerWaalsContact CA-O 3.3Å; V172-F416 WeakPolarHBondContact CA-O 3.24Å; V172-V417 HydrophobicContact CG2-CG2 4.45Å
173Y91.6Very high92.1Very high24 Ų2434.9 Ų34.99%0.09417%0.174CC..EExtended strand (participates in β ladder)trans-144.5158.1172.473.3-81.2000111.6R344 W415 F416 R418 D454Y173-R344 HydrophobicContact CE2-CB 4.32Å; Y173-W415 WeakPolarHBondContact O-CA 3.23Å; Y173-F416 HydrophobicContact CD1-CB 3.91Å; Y173-F416 HydrophobicContact CE1-CB 3.38Å; Y173-F416 HydrophobicContact CE1-CG 4.23Å; Y173-F416 HydrophobicContact CE2-CB 4.12Å; Y173-F416 HydrophobicContact CE2-CD2 4.05Å; Y173-F416 HydrophobicContact CE2-CG 4.26Å; Y173-F416 HydrophobicContact CG-CB 4.49Å; Y173-F416 VanDerWaalsContact CZ-CB 3.48Å; Y173-F416 AromaticContact CZ-CG 3.81Å; Y173-F416 PolarHBondContact N-O 3Å; Y173-F416 PolarHBondContact O-N 3.33Å; Y173-R418 HydrophobicContact CD1-CG 3.64Å; Y173-R418 HydrophobicContact CE1-CG 3.77Å; Y173-D454 HydrophobicContact CE1-CB 4.3Å; Y173-D454 WeakPolarHBondContact CE1-OD2 3.27Å; Y173-D454 PolarHBondContact OH-OD2 3.37Å
174R89.3Confident91Very high93 Ų9337.4 Ų37.435%0.35120%0.195SC..EExtended strand (participates in β ladder)trans-92.9131171.7-169.6-178.1-179.2-158.66.4109W415 F475R174-W415 HydrophobicContact CB-CD2 4.17Å; R174-W415 HydrophobicContact CB-CE3 3.98Å; R174-W415 HydrophobicContact CB-CH2 3.9Å; R174-W415 HydrophobicContact CB-CZ2 4.08Å; R174-W415 HydrophobicContact CB-CZ3 3.85Å; R174-W415 HydrophobicContact CG-CD2 4.42Å; R174-W415 HydrophobicContact CG-CZ2 4.2Å; R174-F475 VanDerWaalsContact CZ-CE1 3.43Å; R174-F475 VanDerWaalsContact NH1-CD2 3.32Å; R174-F475 VanDerWaalsContact NH2-CZ 3.34Å
175G87.2Confident89.5Confident8 Ų836.1 Ų36.18%0.08219%0.191CC..EExtended strand (participates in β ladder)trans-146.7-154.8175.100000110.4R344 S414G175-R344 WeakPolarHBondContact CA-O 3.37Å; G175-S414 PolarHBondContact N-O 3.33Å; G175-S414 PolarHBondContact O-N 3.37Å; G175-S414 VanDerWaalsContact O-O 3.13Å
176V87.3Confident88.5Confident10 Ų1036.6 Ų36.66%0.06120%0.195CC..EExtended strand (participates in β ladder)trans-127.4152.1173.4-64.60000111.7Y327 Y333 P348 A411 V412 F416V176-Y327 HydrophobicContact CG2-CD1 4.02Å; V176-Y327 HydrophobicContact CG2-CE1 3.8Å; V176-Y333 HydrophobicContact CG2-CD2 4.23Å; V176-Y333 HydrophobicContact CG2-CE2 3.36Å; V176-P348 HydrophobicContact CG1-CB 4.04Å; V176-P348 HydrophobicContact CG1-CG 3.42Å; V176-P348 VanDerWaalsContact CG1-CG 3.42Å; V176-A411 HydrophobicContact CB-CB 4.04Å; V176-A411 HydrophobicContact CG1-CB 4.42Å; V176-A411 HydrophobicContact CG2-CB 4.13Å; V176-V412 WeakPolarHBondContact CA-O 3.24Å; V176-F416 WeakPolarHBondContact O-CZ 3.26Å
177K85.9Confident87.4Confident86 Ų8637.2 Ų37.237%0.37420%0.199SC..EExtended strand (participates in β ladder)trans-122.5129.5168.8-167.4173178178.30109.2M179 A411 V412 F416 A456K177-M179 HydrophobicContact CB-CG 4.17Å; K177-M179 HydrophobicContact CD-CG 4.03Å; K177-M179 HydrophobicContact CD-SD 3.95Å; K177-M179 HydrophobicContact CG-CG 3.82Å; K177-M179 HydrophobicContact CG-SD 4.34Å; K177-M179 PolarHBondContact O-N 3.27Å; K177-A411 WeakPolarHBondContact O-CA 3.36Å; K177-V412 PolarHBondContact N-O 2.79Å; K177-V412 PolarHBondContact O-N 3.21Å; K177-F416 HydrophobicContact CB-CZ 3.98Å; K177-A456 HydrophobicContact CD-CB 3.91Å
178V88.9Confident86.7Confident22 Ų2235.3 Ų35.313%0.13320%0.195CC..EExtended strand (participates in β ladder)trans-75.5118.8171.1-176.60000108Y409 A411V178-Y409 HydrophobicContact CG1-CD1 4.42Å; V178-A411 HydrophobicContact CG2-CB 4.43Å
179M86.1Confident85.3Confident37 Ų3731.1 Ų31.118%0.18217%0.172CC..EExtended strand (participates in β ladder)trans-133.8155.1-177.1-64.9-163.7-69.600110.7K177 F181 P188 Y409 K410 V412K177-M179 HydrophobicContact CB-CG 4.17Å; K177-M179 HydrophobicContact CD-CG 4.03Å; K177-M179 HydrophobicContact CD-SD 3.95Å; K177-M179 HydrophobicContact CG-CG 3.82Å; K177-M179 HydrophobicContact CG-SD 4.34Å; K177-M179 PolarHBondContact O-N 3.27Å; M179-F181 PolarHBondContact O-N 3.44Å; M179-P188 HydrophobicContact CB-CB 4.39Å; M179-P188 HydrophobicContact CE-CB 3.57Å; M179-P188 HydrophobicContact CE-CG 3.98Å; M179-Y409 WeakPolarHBondContact O-CA 3.45Å; M179-K410 PolarHBondContact N-O 3.25Å; M179-K410 PolarHBondContact O-N 2.85Å; M179-V412 HydrophobicContact CB-CG2 4.15Å; M179-V412 HydrophobicContact CE-CB 3.82Å; M179-V412 HydrophobicContact CE-CG1 4.4Å; M179-V412 HydrophobicContact CE-CG2 3.74Å
180P87.6Confident83.8Confident1 Ų128 Ų281%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-58134.4165.3-718.2000108.8P188 L189 L407 I408 Y409P180-P188 CarbonylContact O-C 3.58Å; P180-P188 WeakPolarHBondContact O-CA 3.42Å; P180-L189 HydrophobicContact CB-CB 4.48Å; P180-L189 PolarHBondContact O-N 3.25Å; P180-L407 HydrophobicContact CB-CD1 4.16Å; P180-I408 CarbonylContact C-O 3.54Å; P180-Y409 HydrophobicContact CB-CE1 4.22Å; P180-Y409 HydrophobicContact CG-CD1 4.42Å; P180-Y409 HydrophobicContact CG-CE1 3.74Å
181F88.4Confident82.4Confident10 Ų1031 Ų314%0.04417%0.169CC..EExtended strand (participates in β ladder)trans-133.9128-172.9-165.1-78.9000109.9M179 T183 N186 P188 A354 I408 K410 V412M179-F181 PolarHBondContact O-N 3.44Å; F181-T183 HydrophobicContact CD1-CG2 4.42Å; F181-N186 VanDerWaalsContact CZ-C 3.47Å; F181-P188 HydrophobicContact CD2-CB 4.17Å; F181-A354 WeakPolarHBondContact CE1-O 2.94Å; F181-A354 HydrophobicContact CZ-CB 4.34Å; F181-I408 HydrophobicContact CB-CG1 4.22Å; F181-I408 WeakPolarHBondContact CB-O 3.2Å; F181-I408 PolarHBondContact N-O 3.37Å; F181-I408 PolarHBondContact O-N 3.16Å; F181-I408 VanDerWaalsContact O-N 3.15Å; F181-K410 HydrophobicContact CB-CB 4.03Å; F181-K410 HydrophobicContact CG-CB 4.41Å; F181-K410 HydrophobicContact CG-CD 4.41Å; F181-V412 HydrophobicContact CD2-CG2 4.11Å
182S84.3Confident80.5Confident0 Ų037.1 Ų37.10%020%0.195CC..EExtended strand (participates in β ladder)trans-90.1111.2174178.20000109.3A184 C185 N186 T187 C400S182-A184 VanDerWaalsContact C-N 3.33Å; S182-C185 CarbonylContact O-C 3.48Å; S182-C185 PolarHBondContact O-N 2.94Å; S182-C185 WeakPolarHBondContact OG-CB 3.43Å; S182-C185 PolarHBondContact OG-N 2.86Å; S182-C185 PolarHBondContact OG-SG 3.06Å; S182-C185 VanDerWaalsContact OG-SG 3.35Å; S182-N186 WeakPolarHBondContact O-CA 3.34Å; S182-N186 PolarHBondContact O-N 3.33Å; S182-T187 PolarHBondContact N-O 3.28Å; S182-T187 PolarHBondContact O-N 3.31Å; S182-C400 PolarHBondContact OG-SG 3.24Å; S182-C400 VanDerWaalsContact OG-SG 3.38Å
183T86.1Confident78.8Confident9 Ų936.8 Ų36.86%0.05519%0.192CC..THydrogen-bonded Turntrans-72.9-26.9178.858.30000112.5F181 N186 Y369 I408F181-T183 HydrophobicContact CD1-CG2 4.42Å; T183-N186 PolarHBondContact O-OD1 3.46Å; T183-Y369 HydrophobicContact CG2-CE2 4.05Å; T183-Y369 WeakPolarHBondContact OG1-CE2 3.47Å; T183-Y369 PolarHBondContact OG1-OH 2.7Å; T183-I408 HydrophobicContact CG2-CD1 3.6Å; T183-I408 HydrophobicContact CG2-CG1 3.87Å
184A76.3Confident77.8Confident53 Ų5335.7 Ų35.744%0.43819%0.188SC..THydrogen-bonded Turntrans-77.5-28.3175.300000112.5S182 T405S182-A184 VanDerWaalsContact C-N 3.33Å; A184-T405 HydrophobicContact CB-CG2 3.77Å; A184-T405 WeakPolarHBondContact CB-OG1 2.76Å
185C67.3Low76.9Confident15 Ų1536.5 Ų36.510%0.10120%0.195CC..THydrogen-bonded Turntrans-102.52.7179.6-53.40000112.5P105 S182 T187P105-C185 WeakPolarHBondContact CD-O 3.46Å; P105-C185 VanDerWaalsContact CG-O 3.32Å; P105-C185 WeakPolarHBondContact CG-O 3.28Å; S182-C185 CarbonylContact O-C 3.48Å; S182-C185 PolarHBondContact O-N 2.94Å; S182-C185 WeakPolarHBondContact OG-CB 3.43Å; S182-C185 PolarHBondContact OG-N 2.86Å; S182-C185 PolarHBondContact OG-SG 3.06Å; S182-C185 VanDerWaalsContact OG-SG 3.35Å; C185-T187 HydrophobicContact CB-CG2 3.85Å; C185-T187 PolarHBondContact O-N 2.79Å; C185-T187 VanDerWaalsContact O-N 3.13Å
186N77.6Confident75.8Confident64 Ų6439.4 Ų39.434%0.34221%0.207SC..THydrogen-bonded Turntrans47.739.8-179-64.9-24.2000114.2F181 S182 T183 A354 S355F181-N186 VanDerWaalsContact CZ-C 3.47Å; S182-N186 WeakPolarHBondContact O-CA 3.34Å; S182-N186 PolarHBondContact O-N 3.33Å; T183-N186 PolarHBondContact O-OD1 3.46Å; N186-A354 HydrophobicContact CB-CB 4.2Å; N186-A354 VanDerWaalsContact OD1-C 3.25Å; N186-A354 PolarHBondContact OD1-O 2.8Å; N186-S355 WeakPolarHBondContact OD1-CA 3.49Å; N186-S355 PolarHBondContact OD1-N 2.78Å
187T74.9Confident75.4Confident13 Ų1340.5 Ų40.58%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-149.1143-172.2-165.60000113S182 C185 L189S182-T187 PolarHBondContact N-O 3.28Å; S182-T187 PolarHBondContact O-N 3.31Å; C185-T187 HydrophobicContact CB-CG2 3.85Å; C185-T187 PolarHBondContact O-N 2.79Å; C185-T187 VanDerWaalsContact O-N 3.13Å; T187-L189 HydrophobicContact CG2-CD2 4.35Å
188P82.4Confident75.4Confident25 Ų2540.3 Ų40.316%0.16221%0.21CC..EExtended strand (participates in β ladder)trans-65.3146.8167.928.8-34.5000111.3M179 P180 F181 V412 N460M179-P188 HydrophobicContact CB-CB 4.39Å; M179-P188 HydrophobicContact CE-CB 3.57Å; M179-P188 HydrophobicContact CE-CG 3.98Å; P180-P188 CarbonylContact O-C 3.58Å; P180-P188 WeakPolarHBondContact O-CA 3.42Å; F181-P188 HydrophobicContact CD2-CB 4.17Å; P188-V412 HydrophobicContact CB-CG2 4.22Å; P188-V412 HydrophobicContact CG-CG1 4.33Å; P188-N460 HydrophobicContact CG-CB 4.46Å
189L68.8Low75.2Confident5 Ų542.7 Ų42.73%0.02622%0.218CC..  trans-110.6147.9173.7-63-176.7000110.1P180 T187 E193 L407P180-L189 HydrophobicContact CB-CB 4.48Å; P180-L189 PolarHBondContact O-N 3.25Å; T187-L189 HydrophobicContact CG2-CD2 4.35Å; L189-E193 HydrophobicContact CB-CB 4.11Å; L189-E193 HydrophobicContact CD2-CB 4.49Å; L189-L407 HydrophobicContact CD1-CD1 3.78Å; L189-L407 HydrophobicContact CD1-CD2 3.57Å; L189-L407 HydrophobicContact CD1-CG 4.35Å
190S66.1Low75.4Confident36 Ų3645.9 Ų45.925%0.25224%0.236SC..  trans-66158.5169.263.80000111.2F192 E193 S194S190-F192 PolarHBondContact O-N 3.28Å; S190-E193 WeakPolarHBondContact CB-OE2 3.24Å; S190-E193 PolarHBondContact N-OE2 3.17Å; S190-E193 PolarHBondContact O-N 3.26Å; S190-E193 VanDerWaalsContact O-N 3.14Å; S190-E193 WeakPolarHBondContact OG-CB 3.43Å; S190-E193 VanDerWaalsContact OG-CG 3.27Å; S190-E193 WeakPolarHBondContact OG-CG 3.3Å; S190-E193 PolarHBondContact OG-N 2.95Å; S190-E193 VanDerWaalsContact OG-N 3.16Å; S190-E193 PolarHBondContact OG-OE2 3.28Å; S190-S194 PolarHBondContact O-N 3.36Å; S190-S194 PolarHBondContact O-OG 3.01Å
191N64.3Low75.5Confident108 Ų10847.1 Ų47.158%0.57824%0.244SC*.Hα-helixtrans-54.7-41.4172-72.3-7.4000110.7E193 S194 H195N191-E193 PolarHBondContact O-N 2.99Å; N191-S194 WeakPolarHBondContact CA-OG 3.39Å; N191-S194 PolarHBondContact O-N 3.08Å; N191-S194 PolarHBondContact O-OG 2.98Å; N191-H195 PolarHBondContact O-N 3.13Å; N191-H195 PolarHBondContact O-ND1 3.09Å
192F54.9Low75.6Confident147 Ų14753.4 Ų53.465%0.64527%0.273SS*.Hα-helixtrans-59.4-47.7176.9178.6-105.8000112.6S190 S194 H195 Q196S190-F192 PolarHBondContact O-N 3.28Å; F192-S194 PolarHBondContact O-N 2.86Å; F192-H195 PolarHBondContact O-N 2.95Å; F192-Q196 WeakPolarHBondContact O-CG 3.08Å
193E59.7Low75.9Confident7 Ų754.1 Ų54.13%0.03328%0.277CS..Hα-helixtrans-63.6-39.4178.3-74.2169.6111.900112.5L189 S190 N191 H195 Q196 R402L189-E193 HydrophobicContact CB-CB 4.11Å; L189-E193 HydrophobicContact CD2-CB 4.49Å; S190-E193 WeakPolarHBondContact CB-OE2 3.24Å; S190-E193 PolarHBondContact N-OE2 3.17Å; S190-E193 PolarHBondContact O-N 3.26Å; S190-E193 VanDerWaalsContact O-N 3.14Å; S190-E193 WeakPolarHBondContact OG-CB 3.43Å; S190-E193 VanDerWaalsContact OG-CG 3.27Å; S190-E193 WeakPolarHBondContact OG-CG 3.3Å; S190-E193 PolarHBondContact OG-N 2.95Å; S190-E193 VanDerWaalsContact OG-N 3.16Å; S190-E193 PolarHBondContact OG-OE2 3.28Å; N191-E193 PolarHBondContact O-N 2.99Å; E193-H195 PolarHBondContact O-N 3Å; E193-Q196 PolarHBondContact O-N 3.1Å; E193-R402 IonicContact OE1-CZ 3.37Å; E193-R402 IonicContact OE1-NE 2.8Å; E193-R402 IonicContact OE1-NH2 2.67Å; E193-R402 PolarHBondContact OE1-NH2 3.04Å
194S71.2Confident76.3Confident0 Ų055.1 Ų55.10%028%0.284CS..Hα-helixtrans-65.1-25.1177.367.70000113.4S190 N191 F192S190-S194 PolarHBondContact O-N 3.36Å; S190-S194 PolarHBondContact O-OG 3.01Å; N191-S194 WeakPolarHBondContact CA-OG 3.39Å; N191-S194 PolarHBondContact O-N 3.08Å; N191-S194 PolarHBondContact O-OG 2.98Å; F192-S194 PolarHBondContact O-N 2.86Å
195H69.9Low77.1Confident110 Ų11053 Ų5351%0.50927%0.266SS..THydrogen-bonded Turntrans-86.5-2.1179-70.972.3000114.8N191 F192 E193 Y198N191-H195 PolarHBondContact O-N 3.13Å; N191-H195 PolarHBondContact O-ND1 3.09Å; F192-H195 PolarHBondContact O-N 2.95Å; E193-H195 PolarHBondContact O-N 3Å; H195-Y198 HydrophobicContact CB-CD2 4.42Å; H195-Y198 HydrophobicContact CB-CE2 4.04Å; H195-Y198 AromaticContact CD2-CE2 3.6Å; H195-Y198 AromaticContact CG-CE2 3.74Å
196Q64.1Low78.5Confident70 Ų7052.3 Ų52.333%0.32726%0.261SS..THydrogen-bonded Turntrans-80-22-177.1-63.6-172.712.800114.2F192 E193 W401F192-Q196 WeakPolarHBondContact O-CG 3.08Å; E193-Q196 PolarHBondContact O-N 3.1Å; Q196-W401 HydrophobicContact CB-CB 4Å; Q196-W401 HydrophobicContact CB-CG 4.46Å
197N77.9Confident79.4Confident32 Ų3249.5 Ų49.517%0.17125%0.246CC..  trans-139.861.8-171.1-166.921.2000111.5K199 F399 C400 W401 D404N197-K199 WeakPolarHBondContact OD1-CE 3.23Å; N197-F399 HydrophobicContact CB-CB 4.5Å; N197-F399 WeakPolarHBondContact O-CA 3.37Å; N197-F399 WeakPolarHBondContact O-CB 3.43Å; N197-F399 PolarHBondContact O-N 3.11Å; N197-C400 PolarHBondContact ND2-O 3.34Å; N197-C400 VanDerWaalsContact ND2-O 3.11Å; N197-W401 HydrophobicContact CB-CB 3.98Å; N197-D404 PolarHBondContact ND2-OD1 2.93Å
198Y86.9Confident80.5Confident83 Ų8348.9 Ų48.933%0.32524%0.242SC..EExtended strand (participates in β ladder)trans-78.1132.7171.4-94.1-84.2000110.4H195 N396 P398H195-Y198 HydrophobicContact CB-CD2 4.42Å; H195-Y198 HydrophobicContact CB-CE2 4.04Å; H195-Y198 AromaticContact CD2-CE2 3.6Å; H195-Y198 AromaticContact CG-CE2 3.74Å; Y198-N396 VanDerWaalsContact C-OD1 3.25Å; Y198-N396 VanDerWaalsContact CB-OD1 3.27Å; Y198-N396 WeakPolarHBondContact CB-OD1 3.44Å; Y198-N396 WeakPolarHBondContact CD1-OD1 3.44Å; Y198-P398 HydrophobicContact CD1-CB 4.32Å; Y198-P398 HydrophobicContact CE1-CB 3.84Å; Y198-P398 HydrophobicContact CE1-CG 4.24Å; Y198-P398 HydrophobicContact CE2-CB 4.26Å
199K84.9Confident81.2Confident71 Ų7148 Ų4831%0.30924%0.237SC..EExtended strand (participates in β ladder)trans-132.6142.3-179.9-59-175.3-174.6179.90111.5N197 V201 N396 Y397 F399 D404N197-K199 WeakPolarHBondContact OD1-CE 3.23Å; K199-V201 PolarHBondContact O-N 3.32Å; K199-N396 PolarHBondContact N-OD1 2.91Å; K199-N396 PolarHBondContact O-OD1 2.64Å; K199-Y397 PolarHBondContact N-O 3.32Å; K199-Y397 PolarHBondContact O-N 3.05Å; K199-F399 HydrophobicContact CB-CD2 3.91Å; K199-F399 HydrophobicContact CB-CE2 4.02Å; K199-F399 HydrophobicContact CD-CB 4.4Å; K199-F399 HydrophobicContact CD-CD1 4.11Å; K199-F399 HydrophobicContact CD-CD2 4.12Å; K199-F399 HydrophobicContact CD-CE1 4.44Å; K199-F399 HydrophobicContact CD-CE2 4.49Å; K199-F399 HydrophobicContact CD-CG 3.95Å; K199-F399 HydrophobicContact CG-CD2 4.11Å; K199-F399 HydrophobicContact CG-CG 4.3Å; K199-D404 WeakPolarHBondContact CE-OD1 3.28Å; K199-D404 IonicContact NZ-OD1 3.95Å; K199-D404 PolarHBondContact NZ-OD1 3.18Å
200D90.4Very high82.5Confident105 Ų10547.8 Ų47.856%0.56124%0.235SC*.EExtended strand (participates in β ladder)trans-65.1122.3167.1-83.83.9000110.2K394 H395D200-K394 WeakPolarHBondContact OD2-CE 3.42Å; D200-K394 IonicContact OD2-NZ 3.5Å; D200-K394 PolarHBondContact OD2-NZ 3.41Å; D200-H395 WeakPolarHBondContact CA-O 3.32Å
201V89.4Confident84Confident26 Ų2646.8 Ų46.816%0.15823%0.228CC..EExtended strand (participates in β ladder)trans-128.5159.1176.2-61.90000111.7K199 D203 K394 H395 Y397 F399K199-V201 PolarHBondContact O-N 3.32Å; V201-D203 WeakPolarHBondContact CG2-OD2 3.35Å; V201-K394 VanDerWaalsContact O-CA 3.3Å; V201-K394 WeakPolarHBondContact O-CA 3.5Å; V201-H395 PolarHBondContact N-O 3.21Å; V201-H395 PolarHBondContact O-N 3.37Å; V201-H395 VanDerWaalsContact O-N 3.12Å; V201-Y397 VanDerWaalsContact CG2-CB 3.41Å; V201-Y397 HydrophobicContact CG2-CG 4.17Å; V201-F399 HydrophobicContact CG1-CE2 3.35Å; V201-F399 HydrophobicContact CG1-CZ 3.46Å; V201-F399 VanDerWaalsContact CG1-CZ 3.46Å
202Q90.4Very high85.5Confident142 Ų14241.9 Ų41.966%0.66420%0.202SC*.EExtended strand (participates in β ladder)trans-104103.3166.1-66.9-175.32300108.5F393 K394Q202-F393 WeakPolarHBondContact CA-O 3.38Å; Q202-K394 HydrophobicContact CG-CB 4.45Å
203D91.2Very high87.3Confident15 Ų1538.8 Ų38.88%0.0820%0.195CC..EExtended strand (participates in β ladder)trans-95.5157.8173.5-83.3-50.5000110.4V201 K371 T392 F393 H395V201-D203 WeakPolarHBondContact CG2-OD2 3.35Å; D203-K371 IonicContact OD1-NZ 2.84Å; D203-K371 PolarHBondContact OD1-NZ 3.31Å; D203-K371 IonicContact OD2-NZ 3.74Å; D203-T392 WeakPolarHBondContact O-CA 3.46Å; D203-F393 PolarHBondContact N-O 3.2Å; D203-F393 PolarHBondContact O-N 3.32Å; D203-H395 IonicContact OD2-CD2 2.7Å; D203-H395 IonicContact OD2-CE1 2.71Å; D203-H395 IonicContact OD2-NE2 3.11Å; D203-H395 PolarHBondContact OD2-NE2 2.93Å
204P93.3Very high88.8Confident31 Ų3144.5 Ų44.520%0.20122%0.221CC..EExtended strand (participates in β ladder)trans-56.7144.6167.5-19.731.8000110.5T225 P227 D374 I378P204-T225 CarbonylContact O-C 3.56Å; P204-T225 WeakPolarHBondContact O-CA 3.39Å; P204-P227 HydrophobicContact CB-CG 3.97Å; P204-P227 HydrophobicContact CG-CG 4.4Å; P204-D374 HydrophobicContact CG-CB 4.33Å; P204-I378 HydrophobicContact CB-CD1 3.87Å; P204-I378 HydrophobicContact CG-CD1 4.35Å
205S94.2Very high89.5Confident8 Ų846.7 Ų46.76%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-128.8113.8170.7154.70000108W223 S391S205-W223 PolarHBondContact OG-NE1 3.24Å; S205-S391 WeakPolarHBondContact CB-OG 3.37Å; S205-S391 PolarHBondContact N-O 3.41Å; S205-S391 PolarHBondContact O-N 3.01Å; S205-S391 PolarHBondContact O-OG 3.09Å; S205-S391 PolarHBondContact OG-OG 2.98Å
206V96.5Very high90Very high1 Ų147.2 Ų47.21%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-126.2141.5-173.7-62.70000111.5V208 W223 T224 P227 I378 L387 N389 A390V206-V208 HydrophobicContact CG2-CG1 4.26Å; V206-W223 WeakPolarHBondContact O-CA 3.29Å; V206-T224 HydrophobicContact CG2-CG2 3.7Å; V206-T224 PolarHBondContact N-O 3.23Å; V206-T224 PolarHBondContact O-N 3.04Å; V206-P227 HydrophobicContact CG2-CG 4.06Å; V206-I378 HydrophobicContact CG1-CD1 3.93Å; V206-I378 HydrophobicContact CG1-CG1 4.02Å; V206-L387 HydrophobicContact CB-CD1 3.93Å; V206-L387 HydrophobicContact CG1-CD1 4.01Å; V206-N389 WeakPolarHBondContact CA-O 3.37Å; V206-A390 HydrophobicContact CG1-CB 4.23Å
207I96.8Very high91.1Very high5 Ų550.5 Ų50.53%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-106.9123.9168-57.9178.8000107.2I221 A222 W223 L266 T319 V388 N389I207-I221 HydrophobicContact CG2-CB 3.81Å; I207-I221 HydrophobicContact CG2-CD1 4.16Å; I207-I221 HydrophobicContact CG2-CG1 4.41Å; I207-I221 HydrophobicContact CG2-CG2 4.45Å; I207-A222 WeakPolarHBondContact CA-O 3.46Å; I207-W223 HydrophobicContact CG1-CB 4.36Å; I207-L266 HydrophobicContact CD1-CD1 4.28Å; I207-T319 HydrophobicContact CD1-CG2 4.12Å; I207-T319 HydrophobicContact CG1-CG2 4.33Å; I207-T319 HydrophobicContact CG2-CG2 4.04Å; I207-V388 HydrophobicContact CB-CB 4.28Å; I207-V388 HydrophobicContact CG2-CB 4.01Å; I207-V388 HydrophobicContact CG2-CG1 4.31Å; I207-V388 WeakPolarHBondContact O-CB 3.37Å; I207-V388 PolarHBondContact O-N 3.09Å; I207-N389 HydrophobicContact CB-CB 3.96Å; I207-N389 HydrophobicContact CD1-CB 4.01Å; I207-N389 HydrophobicContact CG1-CB 4.09Å; I207-N389 PolarHBondContact N-O 3.32Å; I207-N389 PolarHBondContact O-N 3.38Å
208V97.4Very high91.9Very high0 Ų049.5 Ų49.50%026%0.255CS..EExtended strand (participates in β ladder)trans-121.1141.4-175-70.50000110.7V206 F210 I221 A222 L230 L292 L381 L387V206-V208 HydrophobicContact CG2-CG1 4.26Å; V208-F210 HydrophobicContact CG2-CE2 3.67Å; V208-F210 HydrophobicContact CG2-CZ 4.12Å; V208-I221 WeakPolarHBondContact O-CA 3.45Å; V208-A222 WeakPolarHBondContact CG2-O 3.15Å; V208-A222 PolarHBondContact N-O 3.34Å; V208-A222 PolarHBondContact O-N 2.85Å; V208-L230 HydrophobicContact CG1-CD1 4.09Å; V208-L230 HydrophobicContact CG2-CD1 4.41Å; V208-L230 HydrophobicContact CG2-CD2 4.13Å; V208-L292 HydrophobicContact CG2-CD1 4.39Å; V208-L381 HydrophobicContact CG1-CD1 3.89Å; V208-L387 HydrophobicContact CG1-CD1 4.32Å
209S96.5Very high92.3Very high6 Ų646.2 Ų46.24%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-93143.2-177.657.20000112.8L220 L292 R386S209-L220 CarbonylContact C-O 3.58Å; S209-L220 WeakPolarHBondContact CA-O 3.25Å; S209-L292 WeakPolarHBondContact O-CD2 3.36Å; S209-R386 PolarHBondContact N-O 3.36Å; S209-R386 PolarHBondContact O-NE 2.86Å; S209-R386 PolarHBondContact O-NH2 3.21Å; S209-R386 WeakPolarHBondContact OG-CA 3.39Å; S209-R386 PolarHBondContact OG-O 3.49Å
210F97.3Very high92.9Very high0 Ų042.8 Ų42.80%023%0.229CC..EExtended strand (participates in β ladder)trans-130.887.7177.2-63.2-91.2000109.8V208 L212 S219 L220 A222 N233 L236 Y289 L292 H323V208-F210 HydrophobicContact CG2-CE2 3.67Å; V208-F210 HydrophobicContact CG2-CZ 4.12Å; F210-L212 PolarHBondContact O-N 3.13Å; F210-S219 CarbonylContact O-C 3.51Å; F210-S219 WeakPolarHBondContact O-CA 3.26Å; F210-L220 HydrophobicContact CB-CB 4.35Å; F210-L220 PolarHBondContact N-O 3.47Å; F210-L220 PolarHBondContact O-N 3.22Å; F210-A222 HydrophobicContact CD2-CB 4.31Å; F210-A222 HydrophobicContact CE2-CB 3.75Å; F210-N233 WeakPolarHBondContact CE1-OD1 3.37Å; F210-L236 HydrophobicContact CB-CD1 3.8Å; F210-L236 HydrophobicContact CD1-CD1 4.38Å; F210-L236 HydrophobicContact CD1-CD2 4.43Å; F210-L236 HydrophobicContact CD2-CD1 3.97Å; F210-L236 HydrophobicContact CD2-CD2 3.95Å; F210-L236 HydrophobicContact CE1-CD2 4.23Å; F210-L236 HydrophobicContact CE2-CD2 3.76Å; F210-L236 HydrophobicContact CG-CD1 3.82Å; F210-L236 HydrophobicContact CG-CD2 4.28Å; F210-L236 HydrophobicContact CZ-CD2 3.89Å; F210-Y289 HydrophobicContact CB-CD2 3.95Å; F210-Y289 HydrophobicContact CB-CG 4.18Å; F210-Y289 AromaticContact CD1-CD2 3.46Å; F210-Y289 HydrophobicContact CD1-CD2 3.46Å; F210-Y289 VanDerWaalsContact CD1-CD2 3.46Å; F210-Y289 AromaticContact CD1-CE2 3.41Å; F210-Y289 HydrophobicContact CD1-CE2 3.41Å; F210-Y289 VanDerWaalsContact CD1-CE2 3.41Å; F210-Y289 HydrophobicContact CD1-CG 4.4Å; F210-Y289 HydrophobicContact CE1-CD2 4.33Å; F210-Y289 AromaticContact CE1-CE2 3.83Å; F210-Y289 HydrophobicContact CE1-CE2 3.83Å; F210-Y289 HydrophobicContact CG-CD2 4.11Å; F210-Y289 HydrophobicContact CG-CE2 4.35Å; F210-L292 HydrophobicContact CD1-CD2 4.39Å; F210-L292 HydrophobicContact CD1-CG 4.08Å; F210-L292 HydrophobicContact CE1-CD1 3.58Å; F210-L292 HydrophobicContact CE1-CD2 4.15Å; F210-L292 HydrophobicContact CE1-CG 3.48Å; F210-L292 VanDerWaalsContact CE1-CG 3.48Å; F210-L292 HydrophobicContact CE2-CD1 4.41Å; F210-L292 HydrophobicContact CZ-CD1 3.48Å; F210-L292 VanDerWaalsContact CZ-CD1 3.48Å; F210-L292 HydrophobicContact CZ-CD2 4.45Å; F210-L292 HydrophobicContact CZ-CG 3.9Å; F210-H323 HydrophobicContact CZ-CB 4.42Å
211P96.4Very high93.3Very high16 Ų1637.8 Ų37.810%0.10420%0.202CC..EExtended strand (participates in β ladder)trans-55.4134.8175.7-24.334.2000111.6V218 S219 Y289 K290 R386P211-V218 WeakPolarHBondContact CA-O 3.21Å; P211-S219 WeakPolarHBondContact CA-OG 3.32Å; P211-S219 WeakPolarHBondContact CG-OG 3.38Å; P211-Y289 CarbonylContact O-C 3.57Å; P211-Y289 VanDerWaalsContact O-CA 3.26Å; P211-Y289 WeakPolarHBondContact O-CA 3.4Å; P211-Y289 WeakPolarHBondContact O-CB 3.39Å; P211-K290 PolarHBondContact O-N 2.78Å; P211-R386 VanDerWaalsContact CG-NH1 3.32Å
212L95.4Very high93.6Very high4 Ų436.6 Ų36.62%0.02119%0.194CC..BIsolated β-bridgetrans-67.5143.8172.6-71.7177.1000110.3F210 E214 S215 V218 L220 I257 K287F210-L212 PolarHBondContact O-N 3.13Å; L212-E214 VanDerWaalsContact C-N 3.33Å; L212-E214 HydrophobicContact CB-CG 4.05Å; L212-E214 HydrophobicContact CD1-CG 4.39Å; L212-S215 CarbonylContact O-C 3.58Å; L212-S215 VanDerWaalsContact O-C 3.32Å; L212-S215 PolarHBondContact O-N 3.43Å; L212-V218 HydrophobicContact CD1-CB 4.35Å; L212-V218 HydrophobicContact CD1-CG1 4Å; L212-V218 PolarHBondContact N-O 3.17Å; L212-L220 HydrophobicContact CD2-CD1 3.38Å; L212-L220 HydrophobicContact CG-CD1 4.03Å; L212-I257 HydrophobicContact CD1-CD1 3.93Å; L212-K287 HydrophobicContact CD1-CD 4.43Å; L212-K287 HydrophobicContact CD2-CB 4.01Å; L212-K287 HydrophobicContact CD2-CD 4.38Å
213V93.2Very high93.9Very high82 Ų8232.5 Ų32.550%0.49717%0.173SC..SBendtrans-69.4-35.5175.3176.10000110.9S215 K288 K290V213-S215 VanDerWaalsContact C-N 3.32Å; V213-S215 PolarHBondContact O-N 3.02Å; V213-K288 HydrophobicContact CB-CB 4.15Å; V213-K288 HydrophobicContact CG2-CB 3.9Å; V213-K288 PolarHBondContact N-O 2.82Å; V213-K290 HydrophobicContact CG2-CG 4.38Å
214E90.6Very high94.1Very high127 Ų12732.3 Ų32.359%0.59317%0.172SC*.SBendtrans-72.6-21.717859.9-179.1-165.400113.7L212 K287L212-E214 VanDerWaalsContact C-N 3.33Å; L212-E214 HydrophobicContact CB-CG 4.05Å; L212-E214 HydrophobicContact CD1-CG 4.39Å; E214-K287 WeakPolarHBondContact OE1-CE 3.27Å; E214-K287 IonicContact OE1-NZ 2.74Å; E214-K287 PolarHBondContact OE1-NZ 3.1Å
215S87.7Confident94.2Very high46 Ų4631.9 Ų31.932%0.32217%0.169SC..  trans-156.296.3-178.3174.10000110.6L212 V213 N217 V218L212-S215 CarbonylContact O-C 3.58Å; L212-S215 VanDerWaalsContact O-C 3.32Å; L212-S215 PolarHBondContact O-N 3.43Å; V213-S215 VanDerWaalsContact C-N 3.32Å; V213-S215 PolarHBondContact O-N 3.02Å; S215-N217 PolarHBondContact O-N 3.21Å; S215-N217 VanDerWaalsContact O-N 3.13Å; S215-V218 PolarHBondContact O-N 3.47Å; S215-V218 VanDerWaalsContact O-O 3.12Å; S215-V218 WeakPolarHBondContact OG-CG2 3.16Å
216E79Confident94.2Very high121 Ų12132.7 Ų32.757%0.56517%0.174SC*.THydrogen-bonded Turntrans-62.9-23.7-174.8-57.9-162.7-178.300114V218 K290E216-V218 PolarHBondContact O-N 3.36Å; E216-K290 WeakPolarHBondContact OE1-CE 3.37Å; E216-K290 IonicContact OE1-NZ 3.15Å; E216-K290 PolarHBondContact OE1-NZ 2.99Å; E216-K290 IonicContact OE2-NZ 3.27Å; E216-K290 PolarHBondContact OE2-NZ 2.86Å
217N87.2Confident94.2Very high139 Ų13932.7 Ų32.774%0.74317%0.174SC*.THydrogen-bonded Turntrans-76.9-8177.8-65.7-22.7000113.3S215S215-N217 PolarHBondContact O-N 3.21Å; S215-N217 VanDerWaalsContact O-N 3.13Å
218V94.6Very high94.2Very high12 Ų1232.7 Ų32.77%0.07317%0.174CC..EExtended strand (participates in β ladder)trans-117.4123.3-179-178.60000109.1P211 L212 S215 E216 Q246 T255 I257P211-V218 WeakPolarHBondContact CA-O 3.21Å; L212-V218 HydrophobicContact CD1-CB 4.35Å; L212-V218 HydrophobicContact CD1-CG1 4Å; L212-V218 PolarHBondContact N-O 3.17Å; S215-V218 PolarHBondContact O-N 3.47Å; S215-V218 VanDerWaalsContact O-O 3.12Å; S215-V218 WeakPolarHBondContact OG-CG2 3.16Å; E216-V218 PolarHBondContact O-N 3.36Å; V218-Q246 HydrophobicContact CG1-CG 4.4Å; V218-T255 WeakPolarHBondContact CA-O 3.18Å; V218-T255 HydrophobicContact CG1-CG2 4.29Å; V218-T255 HydrophobicContact CG2-CG2 4Å; V218-I257 HydrophobicContact CG1-CD1 3.68Å; V218-I257 HydrophobicContact CG1-CG1 3.8Å
219S96.8Very high94.2Very high13 Ų1333 Ų339%0.09118%0.176CC..EExtended strand (participates in β ladder)trans-121.8135.9-178.2-62.80000112.4F210 P211 T255 Y256 I257F210-S219 CarbonylContact O-C 3.51Å; F210-S219 WeakPolarHBondContact O-CA 3.26Å; P211-S219 WeakPolarHBondContact CA-OG 3.32Å; P211-S219 WeakPolarHBondContact CG-OG 3.38Å; S219-T255 PolarHBondContact N-O 3.43Å; S219-Y256 CarbonylContact O-C 3.49Å; S219-Y256 WeakPolarHBondContact O-CA 3.49Å; S219-I257 PolarHBondContact O-N 3.23Å
220L97.4Very high94.2Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-69.2146.4159.2-66.1104000109.1S209 F210 L212 L236 I257 L284 V307 V321S209-L220 CarbonylContact C-O 3.58Å; S209-L220 WeakPolarHBondContact CA-O 3.25Å; F210-L220 HydrophobicContact CB-CB 4.35Å; F210-L220 PolarHBondContact N-O 3.47Å; F210-L220 PolarHBondContact O-N 3.22Å; L212-L220 HydrophobicContact CD2-CD1 3.38Å; L212-L220 HydrophobicContact CG-CD1 4.03Å; L220-L236 HydrophobicContact CB-CD1 3.81Å; L220-L236 HydrophobicContact CD1-CD1 4.22Å; L220-L236 HydrophobicContact CD2-CD1 4.18Å; L220-L236 HydrophobicContact CG-CD1 4.3Å; L220-I257 HydrophobicContact CG-CB 4.27Å; L220-L284 HydrophobicContact CD2-CD1 4.4Å; L220-V307 HydrophobicContact CD1-CG2 4.1Å; L220-V307 HydrophobicContact CD2-CG2 3.79Å; L220-V321 HydrophobicContact CD2-CG1 4.16Å; L220-V321 HydrophobicContact CD2-CG2 4.38Å
221I97.3Very high94.1Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-119.7125.3173.556.3171000110.2I207 V208 Y256 I257 M258 L266 T319 V321 V388I207-I221 HydrophobicContact CG2-CB 3.81Å; I207-I221 HydrophobicContact CG2-CD1 4.16Å; I207-I221 HydrophobicContact CG2-CG1 4.41Å; I207-I221 HydrophobicContact CG2-CG2 4.45Å; V208-I221 WeakPolarHBondContact O-CA 3.45Å; I221-Y256 HydrophobicContact CD1-CG 4.38Å; I221-Y256 HydrophobicContact CG2-CD1 3.45Å; I221-Y256 VanDerWaalsContact CG2-CD1 3.45Å; I221-Y256 HydrophobicContact CG2-CE1 4.09Å; I221-Y256 HydrophobicContact CG2-CG 3.91Å; I221-I257 PolarHBondContact N-O 3.34Å; I221-M258 HydrophobicContact CD1-CB 3.97Å; I221-M258 HydrophobicContact CD1-CE 4.17Å; I221-M258 HydrophobicContact CD1-CG 4.38Å; I221-M258 HydrophobicContact CD1-SD 3.78Å; I221-M258 HydrophobicContact CG1-CB 3.84Å; I221-L266 HydrophobicContact CD1-CD2 3.63Å; I221-T319 HydrophobicContact CD1-CG2 4.17Å; I221-T319 HydrophobicContact CG1-CG2 4.14Å; I221-T319 WeakPolarHBondContact O-CB 3.35Å; I221-T319 PolarHBondContact O-OG1 3Å; I221-V321 WeakPolarHBondContact O-CB 3.38Å; I221-V388 HydrophobicContact CG2-CG2 4Å
222A97.4Very high94.1Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-113.2145.5176.600000110.3I207 V208 F210 L236 V321 H323I207-A222 WeakPolarHBondContact CA-O 3.46Å; V208-A222 WeakPolarHBondContact CG2-O 3.15Å; V208-A222 PolarHBondContact N-O 3.34Å; V208-A222 PolarHBondContact O-N 2.85Å; F210-A222 HydrophobicContact CD2-CB 4.31Å; F210-A222 HydrophobicContact CE2-CB 3.75Å; A222-L236 HydrophobicContact CB-CD2 4.19Å; A222-V321 WeakPolarHBondContact CA-O 3.35Å; A222-V321 HydrophobicContact CB-CB 4.47Å; A222-V321 HydrophobicContact CB-CG1 4.31Å; A222-V321 WeakPolarHBondContact CB-O 3.3Å; A222-H323 HydrophobicContact CB-CB 4.36Å
223W96.3Very high94.1Very high57 Ų5732.6 Ų32.622%0.21617%0.173CC..EExtended strand (participates in β ladder)trans-101.1143.6174.1170.677.5000110.8S205 V206 I207 T225 G318 T319S205-W223 PolarHBondContact OG-NE1 3.24Å; V206-W223 WeakPolarHBondContact O-CA 3.29Å; I207-W223 HydrophobicContact CG1-CB 4.36Å; W223-T225 HydrophobicContact CH2-CG2 3.85Å; W223-T225 HydrophobicContact CZ2-CG2 3.42Å; W223-T225 VanDerWaalsContact CZ2-CG2 3.42Å; W223-G318 VanDerWaalsContact CE3-CA 3.46Å; W223-T319 HydrophobicContact CB-CG2 4.1Å
224T95.4Very high94.3Very high10 Ų1028.8 Ų28.86%0.06115%0.149CC..EExtended strand (participates in β ladder)trans-150.5149.3171.2-1750000111.8V206 T226 L230V206-T224 HydrophobicContact CG2-CG2 3.7Å; V206-T224 PolarHBondContact N-O 3.23Å; V206-T224 PolarHBondContact O-N 3.04Å; T224-T226 PolarHBondContact OG1-N 3.36Å; T224-T226 PolarHBondContact OG1-OG1 3.18Å; T224-L230 HydrophobicContact CG2-CD1 4.14Å; T224-L230 HydrophobicContact CG2-CD2 4Å; T224-L230 HydrophobicContact CG2-CG 4.14Å
225T94.6Very high94.6Very high22 Ų2222.8 Ų22.814%0.13512%0.121CC..SBendtrans-97.5-2.9169.253.30000113.3P204 W223 P227 F393P204-T225 CarbonylContact O-C 3.56Å; P204-T225 WeakPolarHBondContact O-CA 3.39Å; W223-T225 HydrophobicContact CH2-CG2 3.85Å; W223-T225 HydrophobicContact CZ2-CG2 3.42Å; W223-T225 VanDerWaalsContact CZ2-CG2 3.42Å; T225-P227 VanDerWaalsContact C-CD 3.47Å; T225-P227 WeakPolarHBondContact O-CD 3.47Å; T225-F393 HydrophobicContact CG2-CB 4.32Å; T225-F393 HydrophobicContact CG2-CD1 4.01Å; T225-F393 HydrophobicContact CG2-CG 4.42Å
226T94.9Very high95.1Very high26 Ų2620.6 Ų20.616%0.1611%0.106CC..  trans-124.869.7-176.7520000111.3T224 W228 T229T224-T226 PolarHBondContact OG1-N 3.36Å; T224-T226 PolarHBondContact OG1-OG1 3.18Å; T226-W228 PolarHBondContact O-N 2.7Å; T226-T229 PolarHBondContact O-N 2.92Å; T226-T229 PolarHBondContact O-OG1 3.04Å; T226-T229 PolarHBondContact OG1-OG1 3.5Å
227P96.4Very high96Very high0 Ų014.8 Ų14.80%08%0.079CC..G310 helixtrans-49.7-34.8179.9-22.828000114.1P204 V206 T225 T229 L230 D374 I377 I378P204-P227 HydrophobicContact CB-CG 3.97Å; P204-P227 HydrophobicContact CG-CG 4.4Å; V206-P227 HydrophobicContact CG2-CG 4.06Å; T225-P227 VanDerWaalsContact C-CD 3.47Å; T225-P227 WeakPolarHBondContact O-CD 3.47Å; P227-T229 PolarHBondContact O-N 3.17Å; P227-T229 VanDerWaalsContact O-N 3.08Å; P227-L230 HydrophobicContact CB-CD1 4.42Å; P227-L230 VanDerWaalsContact O-CB 3.24Å; P227-L230 WeakPolarHBondContact O-CB 3.11Å; P227-L230 WeakPolarHBondContact O-CG 3.31Å; P227-L230 PolarHBondContact O-N 2.87Å; P227-D374 HydrophobicContact CB-CB 4.47Å; P227-D374 WeakPolarHBondContact CB-OD1 3.44Å; P227-D374 VanDerWaalsContact CD-OD1 3.25Å; P227-D374 WeakPolarHBondContact CD-OD1 3.18Å; P227-D374 HydrophobicContact CG-CB 4.39Å; P227-I377 HydrophobicContact CB-CG2 4.06Å; P227-I378 HydrophobicContact CB-CG1 4.17Å; P227-I378 HydrophobicContact CG-CD1 3.98Å; P227-I378 HydrophobicContact CG-CG1 4.1Å
228W96.2Very high96.5Very high6 Ų68.2 Ų8.22%0.0234%0.043CC..G310 helixtrans-56.9-18.8175.871.3-94.3000115.1T226 P231 F328 F358 V370 D374 I377 I408T226-W228 PolarHBondContact O-N 2.7Å; W228-P231 WeakPolarHBondContact O-CD 3.16Å; W228-F328 HydrophobicContact CH2-CB 4.29Å; W228-F328 AromaticContact CH2-CD1 3.6Å; W228-F328 HydrophobicContact CH2-CD1 3.6Å; W228-F328 HydrophobicContact CH2-CE1 4.21Å; W228-F328 HydrophobicContact CH2-CG 4.08Å; W228-F328 AromaticContact CZ3-CD1 3.49Å; W228-F328 HydrophobicContact CZ3-CD1 3.49Å; W228-F328 VanDerWaalsContact CZ3-CD1 3.49Å; W228-F328 AromaticContact CZ3-CE1 3.69Å; W228-F328 HydrophobicContact CZ3-CE1 3.69Å; W228-F328 AromaticContact CZ3-CG 3.99Å; W228-F328 HydrophobicContact CZ3-CG 3.99Å; W228-F328 HydrophobicContact CZ3-CZ 4.34Å; W228-F358 HydrophobicContact CB-CZ 4.25Å; W228-F358 WeakPolarHBondContact O-CZ 3.32Å; W228-V370 HydrophobicContact CB-CB 3.98Å; W228-V370 VanDerWaalsContact CB-O 3.27Å; W228-V370 WeakPolarHBondContact CB-O 3.3Å; W228-V370 HydrophobicContact CD2-CB 3.8Å; W228-V370 HydrophobicContact CD2-CG1 4.17Å; W228-V370 HydrophobicContact CD2-CG2 4.3Å; W228-V370 HydrophobicContact CE3-CB 3.79Å; W228-V370 HydrophobicContact CE3-CG1 3.62Å; W228-V370 HydrophobicContact CE3-CG2 4.39Å; W228-V370 HydrophobicContact CG-CB 3.9Å; W228-V370 HydrophobicContact CZ3-CG1 4.17Å; W228-D374 WeakPolarHBondContact CB-OD1 3.35Å; W228-D374 PolarHBondContact N-OD1 2.94Å; W228-I377 HydrophobicContact CB-CD1 4.29Å; W228-I408 HydrophobicContact CH2-CB 3.98Å; W228-I408 HydrophobicContact CH2-CD1 4.49Å; W228-I408 HydrophobicContact CH2-CG2 4.17Å; W228-I408 HydrophobicContact CZ2-CB 4.01Å; W228-I408 HydrophobicContact CZ2-CG2 3.85Å
229T96.5Very high96.7Very high7 Ų77.9 Ų7.94%0.0434%0.042CC..G310 helixtrans-86.2-16.6175.364.20000113.3T226 P227 P231 S232 H323 F328T226-T229 PolarHBondContact O-N 2.92Å; T226-T229 PolarHBondContact O-OG1 3.04Å; T226-T229 PolarHBondContact OG1-OG1 3.5Å; P227-T229 PolarHBondContact O-N 3.17Å; P227-T229 VanDerWaalsContact O-N 3.08Å; T229-P231 VanDerWaalsContact C-CD 3.49Å; T229-S232 WeakPolarHBondContact O-CA 3.49Å; T229-S232 PolarHBondContact O-N 3.28Å; T229-H323 PolarHBondContact OG1-CE1 3.33Å; T229-H323 PolarHBondContact OG1-NE2 3.01Å; T229-F328 HydrophobicContact CG2-CB 4.13Å; T229-F328 HydrophobicContact CG2-CG 4.42Å
230L96.8Very high96.7Very high2 Ų28.5 Ų8.51%0.015%0.045CC..G310 helixtrans-60.6-35.7-178.3-65.6172.4000114.8V208 T224 P227 S232 N233 L292 F293 L381V208-L230 HydrophobicContact CG1-CD1 4.09Å; V208-L230 HydrophobicContact CG2-CD1 4.41Å; V208-L230 HydrophobicContact CG2-CD2 4.13Å; T224-L230 HydrophobicContact CG2-CD1 4.14Å; T224-L230 HydrophobicContact CG2-CD2 4Å; T224-L230 HydrophobicContact CG2-CG 4.14Å; P227-L230 HydrophobicContact CB-CD1 4.42Å; P227-L230 VanDerWaalsContact O-CB 3.24Å; P227-L230 WeakPolarHBondContact O-CB 3.11Å; P227-L230 WeakPolarHBondContact O-CG 3.31Å; P227-L230 PolarHBondContact O-N 2.87Å; L230-S232 PolarHBondContact O-N 3.42Å; L230-S232 VanDerWaalsContact O-N 3.13Å; L230-N233 VanDerWaalsContact O-CB 3.28Å; L230-N233 WeakPolarHBondContact O-CB 3.48Å; L230-N233 PolarHBondContact O-N 2.81Å; L230-N233 VanDerWaalsContact O-N 3.09Å; L230-L292 HydrophobicContact CB-CD1 4.09Å; L230-L292 HydrophobicContact CD1-CD1 4.33Å; L230-L292 HydrophobicContact CD2-CD1 3.89Å; L230-L292 HydrophobicContact CG-CD1 4.34Å; L230-F293 HydrophobicContact CB-CE2 4.11Å; L230-L381 HydrophobicContact CD1-CD1 3.67Å
231P95.9Very high96.6Very high4 Ų415.6 Ų15.63%0.0268%0.078CC..G310 helixtrans-54.3-25.9170.3-29.637.9000114.2W228 T229 F293 Y295 F296 F358 V362 I377W228-P231 WeakPolarHBondContact O-CD 3.16Å; T229-P231 VanDerWaalsContact C-CD 3.49Å; P231-F293 HydrophobicContact CB-CD2 4.4Å; P231-F293 HydrophobicContact CG-CD2 4.41Å; P231-F293 HydrophobicContact CG-CE2 4.09Å; P231-F293 HydrophobicContact CG-CZ 4.24Å; P231-Y295 HydrophobicContact CB-CD2 4.11Å; P231-Y295 HydrophobicContact CB-CE2 4.02Å; P231-F296 WeakPolarHBondContact O-CD2 3.43Å; P231-F296 WeakPolarHBondContact O-CE2 3.5Å; P231-F358 HydrophobicContact CG-CE1 4.47Å; P231-F358 HydrophobicContact CG-CZ 4.35Å; P231-V362 HydrophobicContact CB-CG1 4.13Å; P231-V362 HydrophobicContact CB-CG2 4.18Å; P231-V362 HydrophobicContact CG-CG1 4.45Å; P231-I377 HydrophobicContact CG-CD1 4.06Å
232S95.6Very high96.6Very high4 Ų418.4 Ų18.43%0.0289%0.091CC..G310 helixtrans-101.116.2-178.8-54.60000113.2T229 L230 L234 F328 P351T229-S232 WeakPolarHBondContact O-CA 3.49Å; T229-S232 PolarHBondContact O-N 3.28Å; L230-S232 PolarHBondContact O-N 3.42Å; L230-S232 VanDerWaalsContact O-N 3.13Å; S232-L234 PolarHBondContact O-N 2.86Å; S232-F328 WeakPolarHBondContact OG-CE2 3.29Å; S232-P351 WeakPolarHBondContact OG-CD 3.21Å; S232-P351 WeakPolarHBondContact OG-CG 3.28Å
233N96.9Very high96.6Very high7 Ų722.7 Ų22.74%0.03711%0.113CC..  trans-66.1129.5177.6172.2-113.2000111.8F210 L230 A235 Y289 F305 Q324F210-N233 WeakPolarHBondContact CE1-OD1 3.37Å; L230-N233 VanDerWaalsContact O-CB 3.28Å; L230-N233 WeakPolarHBondContact O-CB 3.48Å; L230-N233 PolarHBondContact O-N 2.81Å; L230-N233 VanDerWaalsContact O-N 3.09Å; N233-A235 PolarHBondContact ND2-O 3.15Å; N233-Y289 PolarHBondContact OD1-OH 2.94Å; N233-F305 WeakPolarHBondContact O-CE1 3.29Å; N233-Q324 CarbonylContact C-O 3.55Å; N233-Q324 VanDerWaalsContact CA-O 3.28Å; N233-Q324 WeakPolarHBondContact CA-O 3.41Å; N233-Q324 PolarHBondContact ND2-N 2.9Å; N233-Q324 PolarHBondContact ND2-O 2.93Å
234L96.6Very high96.6Very high2 Ų220 Ų201%0.0110%0.103CC..  trans-124.2-16.3177.3-64-178.1000114.4S232 F296 C299 A304 F305 Q324 P326 I341 I342 I349S232-L234 PolarHBondContact O-N 2.86Å; L234-F296 HydrophobicContact CD2-CB 4.11Å; L234-C299 HydrophobicContact CD2-CB 4.07Å; L234-A304 HydrophobicContact CB-CB 4.36Å; L234-A304 HydrophobicContact CD2-CB 4.28Å; L234-A304 CarbonylContact O-C 3.49Å; L234-A304 WeakPolarHBondContact O-CA 3.34Å; L234-F305 HydrophobicContact CD2-CE1 4.37Å; L234-F305 HydrophobicContact CD2-CZ 4.25Å; L234-F305 PolarHBondContact O-N 3.36Å; L234-Q324 PolarHBondContact N-O 3.44Å; L234-P326 HydrophobicContact CB-CG 4.35Å; L234-P326 HydrophobicContact CD1-CG 4.04Å; L234-I341 HydrophobicContact CB-CG2 4.14Å; L234-I342 HydrophobicContact CD1-CG2 4.02Å; L234-I349 HydrophobicContact CD1-CD1 4.13Å
235A97.7Very high96.7Very high0 Ų019.5 Ų19.50%010%0.1CC..EExtended strand (participates in β ladder)trans-156.1172.9175.300000112N233 Y289 Q306 V308 Q324 I341N233-A235 PolarHBondContact ND2-O 3.15Å; A235-Y289 VanDerWaalsContact C-OH 3.3Å; A235-Y289 VanDerWaalsContact CA-OH 3.22Å; A235-Y289 WeakPolarHBondContact CA-OH 3.36Å; A235-Y289 PolarHBondContact N-OH 3.1Å; A235-Q306 WeakPolarHBondContact CA-O 3.46Å; A235-Q306 WeakPolarHBondContact CB-O 3.37Å; A235-V308 HydrophobicContact CB-CG1 4.31Å; A235-V308 HydrophobicContact CB-CG2 4.2Å; A235-Q324 HydrophobicContact CB-CB 3.97Å; A235-Q324 HydrophobicContact CB-CG 3.88Å; A235-Q324 WeakPolarHBondContact O-CB 3.48Å; A235-Q324 PolarHBondContact O-N 3.17Å; A235-I341 HydrophobicContact CB-CD1 3.86Å
236L98.1Very high96.8Very high0 Ų020.6 Ų20.60%010%0.103CC..EExtended strand (participates in β ladder)trans-118.8130.6166.3-64.8178.5000108.7F210 L220 A222 Y289 Q306 V307 V308 V321 V322 H323F210-L236 HydrophobicContact CB-CD1 3.8Å; F210-L236 HydrophobicContact CD1-CD1 4.38Å; F210-L236 HydrophobicContact CD1-CD2 4.43Å; F210-L236 HydrophobicContact CD2-CD1 3.97Å; F210-L236 HydrophobicContact CD2-CD2 3.95Å; F210-L236 HydrophobicContact CE1-CD2 4.23Å; F210-L236 HydrophobicContact CE2-CD2 3.76Å; F210-L236 HydrophobicContact CG-CD1 3.82Å; F210-L236 HydrophobicContact CG-CD2 4.28Å; F210-L236 HydrophobicContact CZ-CD2 3.89Å; L220-L236 HydrophobicContact CB-CD1 3.81Å; L220-L236 HydrophobicContact CD1-CD1 4.22Å; L220-L236 HydrophobicContact CD2-CD1 4.18Å; L220-L236 HydrophobicContact CG-CD1 4.3Å; A222-L236 HydrophobicContact CB-CD2 4.19Å; L236-Y289 HydrophobicContact CB-CE1 4.28Å; L236-Y289 HydrophobicContact CD1-CD1 3.91Å; L236-Y289 HydrophobicContact CD1-CE1 4.02Å; L236-Y289 HydrophobicContact CD1-CG 4.22Å; L236-Y289 HydrophobicContact CG-CD1 4.07Å; L236-Y289 HydrophobicContact CG-CE1 3.65Å; L236-Q306 PolarHBondContact N-O 3.48Å; L236-Q306 VanDerWaalsContact N-O 3.16Å; L236-V307 HydrophobicContact CB-CG2 4.36Å; L236-V307 CarbonylContact O-C 3.56Å; L236-V307 VanDerWaalsContact O-CA 3.24Å; L236-V307 WeakPolarHBondContact O-CA 3.37Å; L236-V308 WeakPolarHBondContact O-CG2 3.25Å; L236-V308 PolarHBondContact O-N 3.32Å; L236-V321 HydrophobicContact CB-CG1 3.96Å; L236-V321 HydrophobicContact CD1-CG1 4.19Å; L236-V321 HydrophobicContact CD2-CG1 4.3Å; L236-V321 HydrophobicContact CG-CG1 4.38Å; L236-V322 CarbonylContact C-O 3.58Å; L236-V322 WeakPolarHBondContact CA-O 3.33Å; L236-H323 HydrophobicContact CD2-CB 4.04Å
237C97.8Very high96.9Very high0 Ų019.3 Ų19.30%010%0.096CC..EExtended strand (participates in β ladder)trans-102.9137.9176.6-167.80000111.2V308 Y312 V313 V322 Q324C237-V308 WeakPolarHBondContact CA-O 3.48Å; C237-V308 HydrophobicContact CB-CG2 3.91Å; C237-Y312 HydrophobicContact CB-CE1 4.17Å; C237-V313 HydrophobicContact CB-CG2 4.16Å; C237-V322 PolarHBondContact N-O 2.67Å; C237-V322 PolarHBondContact O-N 3.47Å; C237-Q324 HydrophobicContact CB-CG 4.09Å
238V97.7Very high96.8Very high0 Ų022.2 Ų22.20%011%0.108CC..EExtended strand (participates in β ladder)trans-128.8155.3172.9-61.40000110.1Y244 L284 V307 V308 T309 D310 V321V238-Y244 WeakPolarHBondContact CA-OH 3.36Å; V238-Y244 HydrophobicContact CB-CE1 4.09Å; V238-Y244 HydrophobicContact CB-CE2 4.11Å; V238-Y244 WeakPolarHBondContact CB-OH 3.29Å; V238-Y244 HydrophobicContact CG1-CE1 3.89Å; V238-L284 HydrophobicContact CG1-CD1 4.18Å; V238-L284 HydrophobicContact CG2-CB 4.32Å; V238-L284 HydrophobicContact CG2-CD1 4.49Å; V238-V307 HydrophobicContact CB-CG1 4.47Å; V238-V307 HydrophobicContact CG1-CG1 4.04Å; V238-V307 HydrophobicContact CG2-CG1 3.68Å; V238-V308 PolarHBondContact N-O 3.45Å; V238-T309 HydrophobicContact CG2-CG2 3.88Å; V238-T309 WeakPolarHBondContact O-CA 3.49Å; V238-D310 PolarHBondContact O-N 3.13Å; V238-D310 VanDerWaalsContact O-N 3.13Å; V238-V321 HydrophobicContact CG1-CB 4.41Å; V238-V321 HydrophobicContact CG1-CG1 4.16Å; V238-V321 HydrophobicContact CG1-CG2 4.02Å
239N97.4Very high96.7Very high6 Ų623.6 Ų23.63%0.03212%0.115CC..  trans-75.9130.6171.9-172.7-60.7000109.2E241 F242 Y244 G281 V313N239-E241 VanDerWaalsContact C-N 3.3Å; N239-E241 PolarHBondContact O-N 2.98Å; N239-E241 PolarHBondContact OD1-N 3.25Å; N239-F242 HydrophobicContact CB-CB 4.09Å; N239-F242 HydrophobicContact CB-CD2 3.39Å; N239-F242 HydrophobicContact CB-CE2 4.07Å; N239-F242 HydrophobicContact CB-CG 3.91Å; N239-F242 WeakPolarHBondContact ND2-CE2 3.5Å; N239-F242 PolarHBondContact OD1-N 3.49Å; N239-Y244 PolarHBondContact N-OH 2.9Å; N239-Y244 WeakPolarHBondContact O-CE2 3.14Å; N239-G281 WeakPolarHBondContact O-CA 3.28Å; N239-V313 HydrophobicContact CB-CB 4.17Å; N239-V313 HydrophobicContact CB-CG1 4.47Å; N239-V313 PolarHBondContact ND2-O 3.12Å
240P96.7Very high96.4Very high25 Ų2526.6 Ų26.616%0.16213%0.131CC..SBendtrans-67.7-27.1-176.925.7-32.9000114.1K282 T309 N311P240-K282 HydrophobicContact CB-CB 4.25Å; P240-K282 WeakPolarHBondContact O-CB 3.39Å; P240-K282 PolarHBondContact O-N 3.09Å; P240-T309 HydrophobicContact CB-CG2 4.41Å; P240-N311 VanDerWaalsContact CD-OD1 3.24Å; P240-N311 WeakPolarHBondContact CD-OD1 3.43Å; P240-N311 WeakPolarHBondContact CG-OD1 3.39Å
241E96.1Very high96Very high150 Ų15032 Ų3270%0.70116%0.164SC*.SBendtrans-96.1-27.3-172.1-63.9-178.7175.800113.2N239N239-E241 VanDerWaalsContact C-N 3.3Å; N239-E241 PolarHBondContact O-N 2.98Å; N239-E241 PolarHBondContact OD1-N 3.25Å
242F96.9Very high95.6Very high59 Ų5934.9 Ų34.926%0.25918%0.182SC..SBendtrans-73155.7-179.2-64-25.9000113.3N239 Y244 M259 P280 G281 E315N239-F242 HydrophobicContact CB-CB 4.09Å; N239-F242 HydrophobicContact CB-CD2 3.39Å; N239-F242 HydrophobicContact CB-CE2 4.07Å; N239-F242 HydrophobicContact CB-CG 3.91Å; N239-F242 WeakPolarHBondContact ND2-CE2 3.5Å; N239-F242 PolarHBondContact OD1-N 3.49Å; F242-Y244 HydrophobicContact CB-CE2 4.28Å; F242-Y244 WeakPolarHBondContact O-CD2 3.35Å; F242-M259 HydrophobicContact CB-CE 3.93Å; F242-M259 HydrophobicContact CD2-CE 3.48Å; F242-M259 VanDerWaalsContact CD2-CE 3.48Å; F242-M259 HydrophobicContact CD2-SD 4.23Å; F242-M259 HydrophobicContact CE2-CE 4.4Å; F242-M259 HydrophobicContact CG-CE 4.15Å; F242-P280 CarbonylContact O-C 3.58Å; F242-P280 WeakPolarHBondContact O-CA 3.46Å; F242-G281 PolarHBondContact O-N 3.01Å; F242-E315 HydrophobicContact CE2-CB 4.21Å; F242-E315 HydrophobicContact CZ-CB 4.48Å
243L97.4Very high95.3Very high89 Ų8940.8 Ų40.847%0.46621%0.209SC..EExtended strand (participates in β ladder)trans-86.7130.1-179.3-68.6173.9000111.6M259 E260L243-M259 WeakPolarHBondContact O-CG 3.38Å; L243-E260 HydrophobicContact CB-CB 4.43Å; L243-E260 PolarHBondContact O-N 3.38Å
244Y97.9Very high95Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-114149.6175.3-69-99.8000109.7V238 N239 F242 M258 M259 K278 F279 L284 G320 V321V238-Y244 WeakPolarHBondContact CA-OH 3.36Å; V238-Y244 HydrophobicContact CB-CE1 4.09Å; V238-Y244 HydrophobicContact CB-CE2 4.11Å; V238-Y244 WeakPolarHBondContact CB-OH 3.29Å; V238-Y244 HydrophobicContact CG1-CE1 3.89Å; N239-Y244 PolarHBondContact N-OH 2.9Å; N239-Y244 WeakPolarHBondContact O-CE2 3.14Å; F242-Y244 HydrophobicContact CB-CE2 4.28Å; F242-Y244 WeakPolarHBondContact O-CD2 3.35Å; Y244-M258 CarbonylContact C-O 3.49Å; Y244-M258 WeakPolarHBondContact CA-O 3.34Å; Y244-M259 HydrophobicContact CD1-CB 4.14Å; Y244-M259 HydrophobicContact CE1-CB 3.91Å; Y244-M259 HydrophobicContact CE1-CE 4.45Å; Y244-M259 HydrophobicContact CE2-CE 4.46Å; Y244-M259 WeakPolarHBondContact OH-CE 3.29Å; Y244-K278 WeakPolarHBondContact O-CA 3.43Å; Y244-F279 PolarHBondContact N-O 3.43Å; Y244-F279 PolarHBondContact O-N 2.96Å; Y244-F279 VanDerWaalsContact O-O 3.11Å; Y244-L284 HydrophobicContact CD1-CD1 4.08Å; Y244-L284 HydrophobicContact CD2-CD1 4.48Å; Y244-L284 HydrophobicContact CG-CD1 3.99Å; Y244-G320 VanDerWaalsContact CE1-O 3.26Å; Y244-G320 WeakPolarHBondContact CE1-O 3.13Å; Y244-G320 PolarHBondContact OH-O 2.76Å; Y244-V321 HydrophobicContact CD1-CG2 4.4Å; Y244-V321 HydrophobicContact CE1-CG2 3.95Å
245V97.3Very high94.9Very high0 Ų046.8 Ų46.80%023%0.232CC..EExtended strand (participates in β ladder)trans-122138.9-179.8-59.50000110.2V247 I257 M258 E260 L263 I275 N277 K278V245-V247 HydrophobicContact CG2-CB 4.33Å; V245-V247 HydrophobicContact CG2-CG1 4.45Å; V245-I257 WeakPolarHBondContact O-CA 3.34Å; V245-M258 HydrophobicContact CG2-CG 4.29Å; V245-M258 PolarHBondContact N-O 3Å; V245-M258 PolarHBondContact O-N 3.43Å; V245-E260 HydrophobicContact CG1-CB 3.7Å; V245-E260 HydrophobicContact CG1-CG 3.77Å; V245-L263 HydrophobicContact CG2-CD1 4.2Å; V245-L263 HydrophobicContact CG2-CD2 3.93Å; V245-L263 HydrophobicContact CG2-CG 4.15Å; V245-I275 HydrophobicContact CB-CG2 4.21Å; V245-I275 HydrophobicContact CG1-CG2 4.33Å; V245-N277 CarbonylContact C-O 3.52Å; V245-N277 WeakPolarHBondContact CA-O 3.31Å; V245-K278 HydrophobicContact CG1-CB 4.41Å; V245-K278 HydrophobicContact CG1-CD 4.16Å; V245-K278 HydrophobicContact CG1-CG 3.85Å
246Q96.8Very high94.9Very high45 Ų4547 Ų4721%0.2123%0.234CC..EExtended strand (participates in β ladder)trans-90.1115.1162.2-175.8177-12.200107.4V218 T255 Y256 I257 L276 N277 F279V218-Q246 HydrophobicContact CG1-CG 4.4Å; Q246-T255 HydrophobicContact CG-CG2 3.42Å; Q246-T255 VanDerWaalsContact CG-CG2 3.42Å; Q246-Y256 CarbonylContact C-O 3.51Å; Q246-Y256 WeakPolarHBondContact CA-O 3.42Å; Q246-I257 HydrophobicContact CB-CG1 4.39Å; Q246-I257 HydrophobicContact CG-CG1 4.41Å; Q246-L276 HydrophobicContact CG-CB 4.43Å; Q246-L276 HydrophobicContact CG-CD1 4.44Å; Q246-L276 WeakPolarHBondContact O-CB 3.49Å; Q246-L276 PolarHBondContact O-N 3.05Å; Q246-N277 HydrophobicContact CB-CB 4.1Å; Q246-N277 PolarHBondContact N-O 3.44Å; Q246-N277 PolarHBondContact O-N 3.27Å; Q246-F279 HydrophobicContact CB-CE1 4.01Å; Q246-F279 HydrophobicContact CB-CZ 4.4Å
247V95.9Very high94.9Very high0 Ų047.2 Ų47.20%023%0.234CC..EExtended strand (participates in β ladder)trans-124128.2-169.658.90000110.4V245 T255 Y256 M258 L263 F267 Y273V245-V247 HydrophobicContact CG2-CB 4.33Å; V245-V247 HydrophobicContact CG2-CG1 4.45Å; V247-T255 CarbonylContact O-C 3.51Å; V247-T255 WeakPolarHBondContact O-CA 3.32Å; V247-Y256 WeakPolarHBondContact CG1-O 3.22Å; V247-Y256 PolarHBondContact N-O 3.15Å; V247-Y256 PolarHBondContact O-N 2.84Å; V247-M258 HydrophobicContact CG1-CG 4.29Å; V247-M258 HydrophobicContact CG1-SD 4.33Å; V247-L263 HydrophobicContact CB-CD2 4.34Å; V247-L263 HydrophobicContact CG1-CD2 4.21Å; V247-L263 HydrophobicContact CG2-CD2 4.15Å; V247-F267 HydrophobicContact CG1-CE2 4.05Å; V247-F267 HydrophobicContact CG2-CE2 3.94Å; V247-F267 HydrophobicContact CG2-CZ 4.34Å; V247-Y273 VanDerWaalsContact CG2-CB 3.46Å; V247-Y273 HydrophobicContact CG2-CD2 3.4Å; V247-Y273 HydrophobicContact CG2-CE2 4.38Å; V247-Y273 HydrophobicContact CG2-CG 3.69Å
248K95.4Very high94.8Very high61 Ų6147.2 Ų47.227%0.26523%0.234SC..EExtended strand (participates in β ladder)trans-91.4122.8172.7-173.5180176.3-172.90109E253 R254 Y273 T274 L276K248-E253 IonicContact NZ-OE1 2.86Å; K248-E253 PolarHBondContact NZ-OE1 2.82Å; K248-R254 WeakPolarHBondContact CA-O 3.38Å; K248-Y273 CarbonylContact O-C 3.56Å; K248-Y273 VanDerWaalsContact O-CA 3.26Å; K248-Y273 WeakPolarHBondContact O-CA 3.24Å; K248-T274 PolarHBondContact N-O 3.46Å; K248-T274 PolarHBondContact O-N 3.12Å; K248-L276 HydrophobicContact CB-CD1 4.05Å; K248-L276 HydrophobicContact CB-CD2 4.24Å; K248-L276 HydrophobicContact CB-CG 4.11Å
249E93.1Very high94.8Very high34 Ų3447.3 Ų47.316%0.15924%0.235CC..EExtended strand (participates in β ladder)trans-73.7124.3170.2177.5173.4-15400109.3T251 T252 E253 R254 Y256 F267E249-T251 VanDerWaalsContact C-N 3.32Å; E249-T251 WeakPolarHBondContact CG-OG1 3.31Å; E249-T251 PolarHBondContact O-N 2.73Å; E249-T252 VanDerWaalsContact CD-OG1 3.22Å; E249-T252 HydrophobicContact CG-CG2 4.33Å; E249-T252 WeakPolarHBondContact CG-OG1 3.42Å; E249-T252 WeakPolarHBondContact OE2-CG2 3.39Å; E249-T252 PolarHBondContact OE2-OG1 3.05Å; E249-E253 WeakPolarHBondContact O-CA 3.47Å; E249-E253 PolarHBondContact O-N 2.71Å; E249-R254 PolarHBondContact N-O 2.75Å; E249-Y256 HydrophobicContact CB-CE2 4.06Å; E249-Y256 WeakPolarHBondContact OE2-CE2 3.25Å; E249-Y256 PolarHBondContact OE2-OH 2.92Å; E249-F267 HydrophobicContact CB-CE1 4.04Å; E249-F267 HydrophobicContact CB-CZ 4.22Å; E249-F267 HydrophobicContact CG-CE1 3.95Å
250N91.1Very high94.7Very high71 Ų7149.8 Ų49.838%0.3825%0.246SC..THydrogen-bonded Turntrans-71.2-26.6-169.9-68.5-21.6000112.9G271 E272 Y273 T274N250-G271 PolarHBondContact ND2-O 3.32Å; N250-E272 PolarHBondContact N-O 2.95Å; N250-Y273 PolarHBondContact ND2-N 3.5Å; N250-Y273 PolarHBondContact ND2-O 2.83Å; N250-T274 PolarHBondContact OD1-OG1 3.15Å
251T88.4Confident94.7Very high114 Ų11451.7 Ų51.770%0.69926%0.264SS*.THydrogen-bonded Turntrans-84.4-42.7-177.8500000113.2E249E249-T251 VanDerWaalsContact C-N 3.32Å; E249-T251 WeakPolarHBondContact CG-OG1 3.31Å; E249-T251 PolarHBondContact O-N 2.73Å
252T85.9Confident94.6Very high66 Ų6647.2 Ų47.241%0.40524%0.241SC..THydrogen-bonded Turntrans-97.6-9.8-176.470.20000113E249 R254E249-T252 VanDerWaalsContact CD-OG1 3.22Å; E249-T252 HydrophobicContact CG-CG2 4.33Å; E249-T252 WeakPolarHBondContact CG-OG1 3.42Å; E249-T252 WeakPolarHBondContact OE2-CG2 3.39Å; E249-T252 PolarHBondContact OE2-OG1 3.05Å; T252-R254 PolarHBondContact O-N 2.96Å; T252-R254 WeakPolarHBondContact OG1-CB 3.41Å; T252-R254 WeakPolarHBondContact OG1-CG 3.4Å; T252-R254 PolarHBondContact OG1-N 2.91Å
253E89.3Confident94.4Very high128 Ų12845 Ų4560%0.59823%0.232SC*.  trans56.89.5-170.5-57.8-152.1107.700115.4K248 E249K248-E253 IonicContact NZ-OE1 2.86Å; K248-E253 PolarHBondContact NZ-OE1 2.82Å; E249-E253 WeakPolarHBondContact O-CA 3.47Å; E249-E253 PolarHBondContact O-N 2.71Å
254R90.8Very high94.1Very high117 Ų11744 Ų4444%0.44224%0.243SC..  trans-74.1144.5178.5-67.1176.7175.6-168.3-2.7110.6K248 E249 T252 Y256K248-R254 WeakPolarHBondContact CA-O 3.38Å; E249-R254 PolarHBondContact N-O 2.75Å; T252-R254 PolarHBondContact O-N 2.96Å; T252-R254 WeakPolarHBondContact OG1-CB 3.41Å; T252-R254 WeakPolarHBondContact OG1-CG 3.4Å; T252-R254 PolarHBondContact OG1-N 2.91Å; R254-Y256 HydrophobicContact CB-CE1 4.05Å; R254-Y256 HydrophobicContact CB-CE2 4.14Å; R254-Y256 WeakPolarHBondContact CB-OH 3.47Å; R254-Y256 WeakPolarHBondContact CD-OH 3.39Å
255T96.1Very high93.6Very high17 Ų1745.9 Ų45.910%0.10426%0.258CS..EExtended strand (participates in β ladder)trans-108.2124.6178.4-56.10000110.7V218 S219 Q246 V247 L276V218-T255 WeakPolarHBondContact CA-O 3.18Å; V218-T255 HydrophobicContact CG1-CG2 4.29Å; V218-T255 HydrophobicContact CG2-CG2 4Å; S219-T255 PolarHBondContact N-O 3.43Å; Q246-T255 HydrophobicContact CG-CG2 3.42Å; Q246-T255 VanDerWaalsContact CG-CG2 3.42Å; V247-T255 CarbonylContact O-C 3.51Å; V247-T255 WeakPolarHBondContact O-CA 3.32Å; T255-L276 HydrophobicContact CG2-CD1 3.89Å
256Y96.8Very high93.3Very high6 Ų647 Ų472%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-114.8153.8-179.6-53.9-59.3000112.2S219 I221 Q246 V247 E249 R254 L266 F267 V388S219-Y256 CarbonylContact O-C 3.49Å; S219-Y256 WeakPolarHBondContact O-CA 3.49Å; I221-Y256 HydrophobicContact CD1-CG 4.38Å; I221-Y256 HydrophobicContact CG2-CD1 3.45Å; I221-Y256 VanDerWaalsContact CG2-CD1 3.45Å; I221-Y256 HydrophobicContact CG2-CE1 4.09Å; I221-Y256 HydrophobicContact CG2-CG 3.91Å; Q246-Y256 CarbonylContact C-O 3.51Å; Q246-Y256 WeakPolarHBondContact CA-O 3.42Å; V247-Y256 WeakPolarHBondContact CG1-O 3.22Å; V247-Y256 PolarHBondContact N-O 3.15Å; V247-Y256 PolarHBondContact O-N 2.84Å; E249-Y256 HydrophobicContact CB-CE2 4.06Å; E249-Y256 WeakPolarHBondContact OE2-CE2 3.25Å; E249-Y256 PolarHBondContact OE2-OH 2.92Å; R254-Y256 HydrophobicContact CB-CE1 4.05Å; R254-Y256 HydrophobicContact CB-CE2 4.14Å; R254-Y256 WeakPolarHBondContact CB-OH 3.47Å; R254-Y256 WeakPolarHBondContact CD-OH 3.39Å; Y256-L266 HydrophobicContact CD2-CD2 4.03Å; Y256-L266 HydrophobicContact CE2-CD2 4.23Å; Y256-F267 HydrophobicContact CD2-CZ 4.35Å; Y256-V388 HydrophobicContact CE1-CG2 4.13Å; Y256-V388 HydrophobicContact CE2-CG1 4.45Å
257I97.5Very high93Very high3 Ų345.2 Ų45.22%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-113.5122.1166.8-62174.8000108.1L212 V218 S219 L220 I221 V245 Q246 F279 L284L212-I257 HydrophobicContact CD1-CD1 3.93Å; V218-I257 HydrophobicContact CG1-CD1 3.68Å; V218-I257 HydrophobicContact CG1-CG1 3.8Å; S219-I257 PolarHBondContact O-N 3.23Å; L220-I257 HydrophobicContact CG-CB 4.27Å; I221-I257 PolarHBondContact N-O 3.34Å; V245-I257 WeakPolarHBondContact O-CA 3.34Å; Q246-I257 HydrophobicContact CB-CG1 4.39Å; Q246-I257 HydrophobicContact CG-CG1 4.41Å; I257-F279 HydrophobicContact CD1-CZ 4.28Å; I257-F279 HydrophobicContact CG1-CZ 4.38Å; I257-F279 HydrophobicContact CG2-CE2 4.21Å; I257-F279 HydrophobicContact CG2-CZ 4.05Å; I257-L284 HydrophobicContact CD1-CD2 4.13Å; I257-L284 HydrophobicContact CG2-CD1 3.86Å; I257-L284 HydrophobicContact CG2-CD2 4.16Å
258M97.2Very high92.6Very high0 Ų054.8 Ų54.80%030%0.297CS..EExtended strand (participates in β ladder)trans-149.8167.8176.866.9-174-56.800110.6I221 Y244 V245 V247 R262 L263 L266 F267 T319I221-M258 HydrophobicContact CD1-CB 3.97Å; I221-M258 HydrophobicContact CD1-CE 4.17Å; I221-M258 HydrophobicContact CD1-CG 4.38Å; I221-M258 HydrophobicContact CD1-SD 3.78Å; I221-M258 HydrophobicContact CG1-CB 3.84Å; Y244-M258 CarbonylContact C-O 3.49Å; Y244-M258 WeakPolarHBondContact CA-O 3.34Å; V245-M258 HydrophobicContact CG2-CG 4.29Å; V245-M258 PolarHBondContact N-O 3Å; V245-M258 PolarHBondContact O-N 3.43Å; V247-M258 HydrophobicContact CG1-CG 4.29Å; V247-M258 HydrophobicContact CG1-SD 4.33Å; M258-R262 HydrophobicContact CE-CB 4.21Å; M258-R262 WeakPolarHBondContact CE-O 3.19Å; M258-L263 HydrophobicContact CG-CD2 4.3Å; M258-L263 HydrophobicContact SD-CD2 3.91Å; M258-L266 HydrophobicContact CE-CB 4.24Å; M258-L266 HydrophobicContact SD-CB 4.43Å; M258-F267 HydrophobicContact SD-CE2 4.25Å; M258-T319 HydrophobicContact CE-CG2 4.4Å
259M97Very high92.3Very high3 Ų354.8 Ų54.82%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-69.2138.4176.8-177.4-176.2-7000110.9F242 L243 Y244 A261 R262 V313 E315 T319F242-M259 HydrophobicContact CB-CE 3.93Å; F242-M259 HydrophobicContact CD2-CE 3.48Å; F242-M259 VanDerWaalsContact CD2-CE 3.48Å; F242-M259 HydrophobicContact CD2-SD 4.23Å; F242-M259 HydrophobicContact CE2-CE 4.4Å; F242-M259 HydrophobicContact CG-CE 4.15Å; L243-M259 WeakPolarHBondContact O-CG 3.38Å; Y244-M259 HydrophobicContact CD1-CB 4.14Å; Y244-M259 HydrophobicContact CE1-CB 3.91Å; Y244-M259 HydrophobicContact CE1-CE 4.45Å; Y244-M259 HydrophobicContact CE2-CE 4.46Å; Y244-M259 WeakPolarHBondContact OH-CE 3.29Å; M259-A261 HydrophobicContact CG-CB 4.41Å; M259-A261 PolarHBondContact O-N 2.85Å; M259-A261 HydrophobicContact SD-CB 4.46Å; M259-R262 HydrophobicContact CB-CB 4.25Å; M259-R262 HydrophobicContact CB-CG 4.04Å; M259-R262 HydrophobicContact CG-CG 4.34Å; M259-R262 PolarHBondContact O-N 2.95Å; M259-R262 HydrophobicContact SD-CG 4.03Å; M259-V313 HydrophobicContact CE-CG1 4.48Å; M259-E315 HydrophobicContact SD-CB 4.03Å; M259-T319 WeakPolarHBondContact CB-O 3.35Å; M259-T319 PolarHBondContact N-O 3.39Å
260E95.6Very high91.9Very high58 Ų5861 Ų6127%0.27133%0.334SS..G310 helixtrans-56.7-48.7-176.9-170.9170.6-168.200112.2L243 V245 R262 L263 K278L243-E260 HydrophobicContact CB-CB 4.43Å; L243-E260 PolarHBondContact O-N 3.38Å; V245-E260 HydrophobicContact CG1-CB 3.7Å; V245-E260 HydrophobicContact CG1-CG 3.77Å; E260-R262 PolarHBondContact O-N 2.99Å; E260-L263 HydrophobicContact CG-CD1 4.42Å; E260-L263 WeakPolarHBondContact O-CG 3.45Å; E260-L263 PolarHBondContact O-N 2.91Å; E260-L263 VanDerWaalsContact O-N 3.17Å; E260-K278 VanDerWaalsContact OE1-CE 3.3Å; E260-K278 WeakPolarHBondContact OE1-CE 3.21Å; E260-K278 IonicContact OE1-NZ 2.83Å; E260-K278 PolarHBondContact OE1-NZ 3.09Å
261A95.3Very high91.7Very high65 Ų6560.4 Ų60.454%0.53735%0.345SS..G310 helixtrans-60.7-16.1178.600000113.5M259M259-A261 HydrophobicContact CG-CB 4.41Å; M259-A261 PolarHBondContact O-N 2.85Å; M259-A261 HydrophobicContact SD-CB 4.46Å
262R94.6Very high91.8Very high56 Ų5658 Ų5821%0.21133%0.326CS..G310 helixtrans-1047.4-177.5-59.7-51.5-51.8175.5-13.2114.1M258 M259 E260 G264 A265 E315 E316 G318M258-R262 HydrophobicContact CE-CB 4.21Å; M258-R262 WeakPolarHBondContact CE-O 3.19Å; M259-R262 HydrophobicContact CB-CB 4.25Å; M259-R262 HydrophobicContact CB-CG 4.04Å; M259-R262 HydrophobicContact CG-CG 4.34Å; M259-R262 PolarHBondContact O-N 2.95Å; M259-R262 HydrophobicContact SD-CG 4.03Å; E260-R262 PolarHBondContact O-N 2.99Å; R262-G264 PolarHBondContact O-N 3.29Å; R262-G264 VanDerWaalsContact O-N 3.12Å; R262-A265 WeakPolarHBondContact O-CB 3.33Å; R262-A265 PolarHBondContact O-N 3.13Å; R262-E315 WeakPolarHBondContact CD-O 3.48Å; R262-E316 PolarHBondContact NH1-O 3.09Å; R262-E316 PolarHBondContact NH2-O 3.43Å; R262-G318 PolarHBondContact NE-O 3.19Å
263L93.1Very high92.2Very high12 Ų1256.6 Ų56.66%0.06331%0.314CS..G310 helixtrans-51.6-37.8176.6-79.5163.9000112.3V245 V247 M258 E260 A265 L266 F267 Y273 I275V245-L263 HydrophobicContact CG2-CD1 4.2Å; V245-L263 HydrophobicContact CG2-CD2 3.93Å; V245-L263 HydrophobicContact CG2-CG 4.15Å; V247-L263 HydrophobicContact CB-CD2 4.34Å; V247-L263 HydrophobicContact CG1-CD2 4.21Å; V247-L263 HydrophobicContact CG2-CD2 4.15Å; M258-L263 HydrophobicContact CG-CD2 4.3Å; M258-L263 HydrophobicContact SD-CD2 3.91Å; E260-L263 HydrophobicContact CG-CD1 4.42Å; E260-L263 WeakPolarHBondContact O-CG 3.45Å; E260-L263 PolarHBondContact O-N 2.91Å; E260-L263 VanDerWaalsContact O-N 3.17Å; L263-A265 PolarHBondContact O-N 3.47Å; L263-A265 VanDerWaalsContact O-N 3.16Å; L263-L266 PolarHBondContact O-N 2.88Å; L263-L266 VanDerWaalsContact O-N 3.15Å; L263-F267 HydrophobicContact CD2-CD2 3.95Å; L263-F267 HydrophobicContact CD2-CE2 4.11Å; L263-F267 PolarHBondContact O-N 3.48Å; L263-Y273 HydrophobicContact CD1-CE2 3.91Å; L263-Y273 HydrophobicContact CD2-CD2 4.33Å; L263-Y273 HydrophobicContact CD2-CE2 4.05Å; L263-I275 HydrophobicContact CD1-CD1 4.06Å
264G90.2Very high92.5Very high68 Ų6853.7 Ų53.770%0.70131%0.305SS*.G310 helixtrans-63.1-15175.700000115.6R262 L266 F267R262-G264 PolarHBondContact O-N 3.29Å; R262-G264 VanDerWaalsContact O-N 3.12Å; G264-L266 VanDerWaalsContact C-N 3.32Å; G264-F267 WeakPolarHBondContact CA-O 3.15Å
265A88.4Confident92.7Very high39 Ų3950.9 Ų50.932%0.32230%0.298SS..G310 helixtrans-74.6-23175.500000112.7R262 L263 G318R262-A265 WeakPolarHBondContact O-CB 3.33Å; R262-A265 PolarHBondContact O-N 3.13Å; L263-A265 PolarHBondContact O-N 3.47Å; L263-A265 VanDerWaalsContact O-N 3.16Å; A265-G318 WeakPolarHBondContact CB-O 3.25Å
266L90.1Very high92.7Very high25 Ų2554.4 Ų54.413%0.13132%0.316CS..THydrogen-bonded Turntrans-113.7-44.5178.6-179.260.3000112.3I207 I221 Y256 M258 L263 G264 V388 N389I207-L266 HydrophobicContact CD1-CD1 4.28Å; I221-L266 HydrophobicContact CD1-CD2 3.63Å; Y256-L266 HydrophobicContact CD2-CD2 4.03Å; Y256-L266 HydrophobicContact CE2-CD2 4.23Å; M258-L266 HydrophobicContact CE-CB 4.24Å; M258-L266 HydrophobicContact SD-CB 4.43Å; L263-L266 PolarHBondContact O-N 2.88Å; L263-L266 VanDerWaalsContact O-N 3.15Å; G264-L266 VanDerWaalsContact C-N 3.32Å; L266-V388 HydrophobicContact CD1-CG1 3.77Å; L266-V388 HydrophobicContact CD2-CG1 4.1Å; L266-N389 HydrophobicContact CD1-CB 4.23Å
267F91.7Very high92.6Very high6 Ų658.1 Ų58.13%0.02634%0.336CS..  trans-104.7131.3-175.1-55.7-67.9000110.9V247 E249 Y256 M258 L263 G264 E272 Y273V247-F267 HydrophobicContact CG1-CE2 4.05Å; V247-F267 HydrophobicContact CG2-CE2 3.94Å; V247-F267 HydrophobicContact CG2-CZ 4.34Å; E249-F267 HydrophobicContact CB-CE1 4.04Å; E249-F267 HydrophobicContact CB-CZ 4.22Å; E249-F267 HydrophobicContact CG-CE1 3.95Å; Y256-F267 HydrophobicContact CD2-CZ 4.35Å; M258-F267 HydrophobicContact SD-CE2 4.25Å; L263-F267 HydrophobicContact CD2-CD2 3.95Å; L263-F267 HydrophobicContact CD2-CE2 4.11Å; L263-F267 PolarHBondContact O-N 3.48Å; G264-F267 WeakPolarHBondContact CA-O 3.15Å; F267-E272 WeakPolarHBondContact CA-OE2 3.48Å; F267-E272 HydrophobicContact CB-CB 4.33Å; F267-E272 HydrophobicContact CD1-CB 3.89Å; F267-E272 HydrophobicContact CG-CB 4.48Å; F267-Y273 HydrophobicContact CB-CD1 3.52Å; F267-Y273 HydrophobicContact CB-CE1 3.79Å; F267-Y273 HydrophobicContact CD1-CD1 4.07Å; F267-Y273 AromaticContact CD2-CD1 3.53Å; F267-Y273 HydrophobicContact CD2-CD1 3.53Å; F267-Y273 HydrophobicContact CD2-CE1 4.1Å; F267-Y273 AromaticContact CD2-CG 3.91Å; F267-Y273 HydrophobicContact CD2-CG 3.91Å; F267-Y273 HydrophobicContact CE2-CD1 4.24Å; F267-Y273 HydrophobicContact CE2-CG 4.17Å; F267-Y273 AromaticContact CG-CD1 3.42Å; F267-Y273 HydrophobicContact CG-CD1 3.42Å; F267-Y273 VanDerWaalsContact CG-CD1 3.42Å; F267-Y273 HydrophobicContact CG-CE1 4.1Å; F267-Y273 HydrophobicContact CG-CG 4.11Å
268K87.4Confident92.6Very high201 Ų20163 Ų6387%0.87436%0.357SS*.SBendtrans-84.5-23-179-67-177.1-179.8178.80112.7E272K268-E272 PolarHBondContact N-OE2 2.84Å
269S88.8Confident92.6Very high61 Ų6164 Ų6443%0.42736%0.361SS..SBendtrans-143.7152.7-17865.90000111.9G271 E272S269-G271 PolarHBondContact O-N 3.03Å; S269-E272 PolarHBondContact N-OE1 3.04Å; S269-E272 VanDerWaalsContact N-OE1 3.14Å; S269-E272 WeakPolarHBondContact O-CB 3.48Å; S269-E272 PolarHBondContact O-N 2.83Å; S269-E272 WeakPolarHBondContact OG-CG 3.33Å; S269-E272 PolarHBondContact OG-OE1 3.43Å
270E84.1Confident92.6Very high164 Ų16465.5 Ų65.577%0.76637%0.371SS*.G310 helixtrans-65.5-18.6-178.5-65.1-173.4164.100113.7E272E270-E272 VanDerWaalsContact C-N 3.29Å; E270-E272 PolarHBondContact O-N 3.29Å
271G87.6Confident92.6Very high60 Ų6062.8 Ų62.862%0.61936%0.358SS*.G310 helixtrans-76.3-12.3176.500000114.6N250 S269 Y273N250-G271 PolarHBondContact ND2-O 3.32Å; S269-G271 PolarHBondContact O-N 3.03Å; G271-Y273 VanDerWaalsContact C-N 3.3Å; G271-Y273 PolarHBondContact O-N 2.99Å
272E91.2Very high92.6Very high64 Ų6465.8 Ų65.830%0.29936%0.36SS..G310 helixtrans-78.3-14.3-177.5-72.4164.1-140.300113.1N250 F267 K268 S269 E270N250-E272 PolarHBondContact N-O 2.95Å; F267-E272 WeakPolarHBondContact CA-OE2 3.48Å; F267-E272 HydrophobicContact CB-CB 4.33Å; F267-E272 HydrophobicContact CD1-CB 3.89Å; F267-E272 HydrophobicContact CG-CB 4.48Å; K268-E272 PolarHBondContact N-OE2 2.84Å; S269-E272 PolarHBondContact N-OE1 3.04Å; S269-E272 VanDerWaalsContact N-OE1 3.14Å; S269-E272 WeakPolarHBondContact O-CB 3.48Å; S269-E272 PolarHBondContact O-N 2.83Å; S269-E272 WeakPolarHBondContact OG-CG 3.33Å; S269-E272 PolarHBondContact OG-OE1 3.43Å; E270-E272 VanDerWaalsContact C-N 3.29Å; E270-E272 PolarHBondContact O-N 3.29Å
273Y94.5Very high92.7Very high36 Ų3667.1 Ų67.114%0.14137%0.371CS..EExtended strand (participates in β ladder)trans-145.4165.5-173.467.4-91.3000114.1V247 K248 N250 L263 F267 G271 I275V247-Y273 VanDerWaalsContact CG2-CB 3.46Å; V247-Y273 HydrophobicContact CG2-CD2 3.4Å; V247-Y273 HydrophobicContact CG2-CE2 4.38Å; V247-Y273 HydrophobicContact CG2-CG 3.69Å; K248-Y273 CarbonylContact O-C 3.56Å; K248-Y273 VanDerWaalsContact O-CA 3.26Å; K248-Y273 WeakPolarHBondContact O-CA 3.24Å; N250-Y273 PolarHBondContact ND2-N 3.5Å; N250-Y273 PolarHBondContact ND2-O 2.83Å; L263-Y273 HydrophobicContact CD1-CE2 3.91Å; L263-Y273 HydrophobicContact CD2-CD2 4.33Å; L263-Y273 HydrophobicContact CD2-CE2 4.05Å; F267-Y273 HydrophobicContact CB-CD1 3.52Å; F267-Y273 HydrophobicContact CB-CE1 3.79Å; F267-Y273 HydrophobicContact CD1-CD1 4.07Å; F267-Y273 AromaticContact CD2-CD1 3.53Å; F267-Y273 HydrophobicContact CD2-CD1 3.53Å; F267-Y273 HydrophobicContact CD2-CE1 4.1Å; F267-Y273 AromaticContact CD2-CG 3.91Å; F267-Y273 HydrophobicContact CD2-CG 3.91Å; F267-Y273 HydrophobicContact CE2-CD1 4.24Å; F267-Y273 HydrophobicContact CE2-CG 4.17Å; F267-Y273 AromaticContact CG-CD1 3.42Å; F267-Y273 HydrophobicContact CG-CD1 3.42Å; F267-Y273 VanDerWaalsContact CG-CD1 3.42Å; F267-Y273 HydrophobicContact CG-CE1 4.1Å; F267-Y273 HydrophobicContact CG-CG 4.11Å; G271-Y273 VanDerWaalsContact C-N 3.3Å; G271-Y273 PolarHBondContact O-N 2.99Å; Y273-I275 HydrophobicContact CD2-CG1 4.04Å; Y273-I275 HydrophobicContact CE2-CD1 4.1Å; Y273-I275 HydrophobicContact CE2-CG1 3.77Å
274T94.3Very high92.8Very high67 Ų6766.6 Ų66.641%0.41137%0.368SS..EExtended strand (participates in β ladder)trans-128.9121.9172.7-55.10000109.2K248 N250 L276K248-T274 PolarHBondContact N-O 3.46Å; K248-T274 PolarHBondContact O-N 3.12Å; N250-T274 PolarHBondContact OD1-OG1 3.15Å; T274-L276 HydrophobicContact CG2-CD2 4.47Å; T274-L276 PolarHBondContact O-N 3.07Å
275I95.8Very high93.1Very high57 Ų5769 Ų6929%0.29236%0.359SS..EExtended strand (participates in β ladder)trans-75.4119.9174.8-59.6177.4000108.8V245 L263 Y273 K278V245-I275 HydrophobicContact CB-CG2 4.21Å; V245-I275 HydrophobicContact CG1-CG2 4.33Å; L263-I275 HydrophobicContact CD1-CD1 4.06Å; Y273-I275 HydrophobicContact CD2-CG1 4.04Å; Y273-I275 HydrophobicContact CE2-CD1 4.1Å; Y273-I275 HydrophobicContact CE2-CG1 3.77Å; I275-K278 HydrophobicContact CG2-CG 3.86Å
276L95.3Very high93.4Very high92 Ų9268.7 Ų68.748%0.48236%0.36SS..EExtended strand (participates in β ladder)trans-90.6-38.1179.1-58.6-177.7000112.1Q246 K248 T255 T274Q246-L276 HydrophobicContact CG-CB 4.43Å; Q246-L276 HydrophobicContact CG-CD1 4.44Å; Q246-L276 WeakPolarHBondContact O-CB 3.49Å; Q246-L276 PolarHBondContact O-N 3.05Å; K248-L276 HydrophobicContact CB-CD1 4.05Å; K248-L276 HydrophobicContact CB-CD2 4.24Å; K248-L276 HydrophobicContact CB-CG 4.11Å; T255-L276 HydrophobicContact CG2-CD1 3.89Å; T274-L276 HydrophobicContact CG2-CD2 4.47Å; T274-L276 PolarHBondContact O-N 3.07Å
277N94.9Very high93.7Very high83 Ų8370.3 Ų70.344%0.44437%0.366SS..EExtended strand (participates in β ladder)trans-153.7154.8-177.7-164.412.1000111V245 Q246 F279V245-N277 CarbonylContact C-O 3.52Å; V245-N277 WeakPolarHBondContact CA-O 3.31Å; Q246-N277 HydrophobicContact CB-CB 4.1Å; Q246-N277 PolarHBondContact N-O 3.44Å; Q246-N277 PolarHBondContact O-N 3.27Å; N277-F279 HydrophobicContact CB-CD1 4.31Å; N277-F279 HydrophobicContact CB-CE1 4.26Å
278K96.8Very high94Very high105 Ų10576.7 Ų76.746%0.45739%0.394SS..EExtended strand (participates in β ladder)trans-131.7135.9173.5-52.8-164.1-179.8177.70110Y244 V245 E260 I275Y244-K278 WeakPolarHBondContact O-CA 3.43Å; V245-K278 HydrophobicContact CG1-CB 4.41Å; V245-K278 HydrophobicContact CG1-CD 4.16Å; V245-K278 HydrophobicContact CG1-CG 3.85Å; E260-K278 VanDerWaalsContact OE1-CE 3.3Å; E260-K278 WeakPolarHBondContact OE1-CE 3.21Å; E260-K278 IonicContact OE1-NZ 2.83Å; E260-K278 PolarHBondContact OE1-NZ 3.09Å; I275-K278 HydrophobicContact CG2-CG 3.86Å
279F97.3Very high94.4Very high22 Ų2267.3 Ų67.310%0.09635%0.353CS..EExtended strand (participates in β ladder)trans-156.7153.7-176.943.5-96.7000111.5Y244 Q246 I257 N277 D283 L284Y244-F279 PolarHBondContact N-O 3.43Å; Y244-F279 PolarHBondContact O-N 2.96Å; Y244-F279 VanDerWaalsContact O-O 3.11Å; Q246-F279 HydrophobicContact CB-CE1 4.01Å; Q246-F279 HydrophobicContact CB-CZ 4.4Å; I257-F279 HydrophobicContact CD1-CZ 4.28Å; I257-F279 HydrophobicContact CG1-CZ 4.38Å; I257-F279 HydrophobicContact CG2-CE2 4.21Å; I257-F279 HydrophobicContact CG2-CZ 4.05Å; N277-F279 HydrophobicContact CB-CD1 4.31Å; N277-F279 HydrophobicContact CB-CE1 4.26Å; F279-D283 HydrophobicContact CB-CB 4.45Å; F279-L284 HydrophobicContact CD2-CD2 4.36Å; F279-L284 HydrophobicContact CD2-CG 4.27Å; F279-L284 HydrophobicContact CE2-CD1 4.01Å; F279-L284 HydrophobicContact CE2-CD2 3.54Å; F279-L284 HydrophobicContact CE2-CG 3.74Å; F279-L284 HydrophobicContact CZ-CD2 4.13Å
280P97Very high94.7Very high35 Ų3567.9 Ų67.923%0.22735%0.347CS..EExtended strand (participates in β ladder)trans-68.4150.7173.329.5-36000111.8F242 K282 D283F242-P280 CarbonylContact O-C 3.58Å; F242-P280 WeakPolarHBondContact O-CA 3.46Å; P280-K282 HydrophobicContact CB-CD 4.49Å; P280-K282 HydrophobicContact CB-CG 4.11Å; P280-K282 HydrophobicContact CG-CD 4.32Å; P280-K282 HydrophobicContact CG-CG 3.99Å; P280-K282 PolarHBondContact O-N 2.89Å; P280-K282 VanDerWaalsContact O-N 3.15Å; P280-D283 WeakPolarHBondContact CD-OD2 3.38Å; P280-D283 WeakPolarHBondContact O-CB 3.48Å; P280-D283 PolarHBondContact O-N 2.96Å
281G95.5Very high95.2Very high0 Ų061.7 Ų61.70%032%0.322CS..G310 helixtrans-62.2-24.6-176.700000114.5N239 F242 D283 L284N239-G281 WeakPolarHBondContact O-CA 3.28Å; F242-G281 PolarHBondContact O-N 3.01Å; G281-D283 PolarHBondContact O-N 3.16Å; G281-D283 VanDerWaalsContact O-N 3.14Å; G281-L284 WeakPolarHBondContact O-CB 3.4Å; G281-L284 PolarHBondContact O-N 3.38Å
282K96.4Very high95.5Very high129 Ų12959.2 Ų59.256%0.56129%0.294SS*.G310 helixtrans-56.1-27.7172.271.8-174.1-177.7-179.70113.5P240 P280 L284 K285P240-K282 HydrophobicContact CB-CB 4.25Å; P240-K282 WeakPolarHBondContact O-CB 3.39Å; P240-K282 PolarHBondContact O-N 3.09Å; P280-K282 HydrophobicContact CB-CD 4.49Å; P280-K282 HydrophobicContact CB-CG 4.11Å; P280-K282 HydrophobicContact CG-CD 4.32Å; P280-K282 HydrophobicContact CG-CG 3.99Å; P280-K282 PolarHBondContact O-N 2.89Å; P280-K282 VanDerWaalsContact O-N 3.15Å; K282-L284 PolarHBondContact O-N 2.89Å; K282-K285 VanDerWaalsContact O-CB 3.25Å; K282-K285 WeakPolarHBondContact O-CB 3.43Å; K282-K285 PolarHBondContact O-N 3.28Å
283D96.4Very high95.7Very high84 Ų8456.7 Ų56.745%0.44928%0.282SS..G310 helixtrans-75.2-15.9180-63-5.2000112.1F279 P280 G281F279-D283 HydrophobicContact CB-CB 4.45Å; P280-D283 WeakPolarHBondContact CD-OD2 3.38Å; P280-D283 WeakPolarHBondContact O-CB 3.48Å; P280-D283 PolarHBondContact O-N 2.96Å; G281-D283 PolarHBondContact O-N 3.16Å; G281-D283 VanDerWaalsContact O-N 3.14Å
284L95.8Very high95.5Very high1 Ų161.8 Ų61.81%0.00531%0.307CS..G310 helixtrans-84.7-15.6174.1-63.8174.8000112.7L220 V238 Y244 I257 F279 G281 K282 G286 K287 V307L220-L284 HydrophobicContact CD2-CD1 4.4Å; V238-L284 HydrophobicContact CG1-CD1 4.18Å; V238-L284 HydrophobicContact CG2-CB 4.32Å; V238-L284 HydrophobicContact CG2-CD1 4.49Å; Y244-L284 HydrophobicContact CD1-CD1 4.08Å; Y244-L284 HydrophobicContact CD2-CD1 4.48Å; Y244-L284 HydrophobicContact CG-CD1 3.99Å; I257-L284 HydrophobicContact CD1-CD2 4.13Å; I257-L284 HydrophobicContact CG2-CD1 3.86Å; I257-L284 HydrophobicContact CG2-CD2 4.16Å; F279-L284 HydrophobicContact CD2-CD2 4.36Å; F279-L284 HydrophobicContact CD2-CG 4.27Å; F279-L284 HydrophobicContact CE2-CD1 4.01Å; F279-L284 HydrophobicContact CE2-CD2 3.54Å; F279-L284 HydrophobicContact CE2-CG 3.74Å; F279-L284 HydrophobicContact CZ-CD2 4.13Å; G281-L284 WeakPolarHBondContact O-CB 3.4Å; G281-L284 PolarHBondContact O-N 3.38Å; K282-L284 PolarHBondContact O-N 2.89Å; L284-G286 PolarHBondContact O-N 3Å; L284-K287 HydrophobicContact CD2-CD 3.92Å; L284-K287 WeakPolarHBondContact O-CB 3.49Å; L284-K287 WeakPolarHBondContact O-CG 3.22Å; L284-K287 PolarHBondContact O-N 3.15Å; L284-K287 VanDerWaalsContact O-N 3.08Å; L284-V307 HydrophobicContact CB-CG1 3.93Å; L284-V307 VanDerWaalsContact O-CB 3.27Å; L284-V307 WeakPolarHBondContact O-CB 3.34Å
285K96.5Very high95.5Very high117 Ų11760.9 Ų60.951%0.50930%0.296SS..THydrogen-bonded Turntrans-55128.3-175.6-171.5179-176.6176.40111.3K282 K287 T309K282-K285 VanDerWaalsContact O-CB 3.25Å; K282-K285 WeakPolarHBondContact O-CB 3.43Å; K282-K285 PolarHBondContact O-N 3.28Å; K285-K287 VanDerWaalsContact C-N 3.29Å; K285-K287 PolarHBondContact O-N 3.19Å; K285-T309 HydrophobicContact CB-CG2 3.85Å; K285-T309 HydrophobicContact CD-CG2 4.31Å; K285-T309 HydrophobicContact CG-CG2 4.06Å
286G95Very high95.3Very high33 Ų3359.3 Ų59.334%0.3429%0.288SS..THydrogen-bonded Turntrans81.7-5.7178.600000115.3L284 K288 V307L284-G286 PolarHBondContact O-N 3Å; G286-K288 PolarHBondContact O-N 3.09Å; G286-V307 PolarHBondContact N-O 2.82Å
287K96Very high95Very high60 Ų6057.1 Ų57.126%0.26128%0.28SS..  trans-62.6130174.9-71-167.6176.7-1350110.6L212 E214 L284 K285 Q306 V307L212-K287 HydrophobicContact CD1-CD 4.43Å; L212-K287 HydrophobicContact CD2-CB 4.01Å; L212-K287 HydrophobicContact CD2-CD 4.38Å; E214-K287 WeakPolarHBondContact OE1-CE 3.27Å; E214-K287 IonicContact OE1-NZ 2.74Å; E214-K287 PolarHBondContact OE1-NZ 3.1Å; L284-K287 HydrophobicContact CD2-CD 3.92Å; L284-K287 WeakPolarHBondContact O-CB 3.49Å; L284-K287 WeakPolarHBondContact O-CG 3.22Å; L284-K287 PolarHBondContact O-N 3.15Å; L284-K287 VanDerWaalsContact O-N 3.08Å; K285-K287 VanDerWaalsContact C-N 3.29Å; K285-K287 PolarHBondContact O-N 3.19Å; K287-Q306 CarbonylContact O-C 3.55Å; K287-Q306 VanDerWaalsContact O-CA 3.27Å; K287-Q306 WeakPolarHBondContact O-CA 3.36Å; K287-V307 HydrophobicContact CB-CG2 4.31Å; K287-V307 PolarHBondContact O-N 2.93Å
288K96.4Very high94.7Very high140 Ų14061.5 Ų61.561%0.60930%0.295SS*.BIsolated β-bridgetrans-88.1143.7-179-63.5-175.6-179.8-177.50111.4V213 G286 F305V213-K288 HydrophobicContact CB-CB 4.15Å; V213-K288 HydrophobicContact CG2-CB 3.9Å; V213-K288 PolarHBondContact N-O 2.82Å; G286-K288 PolarHBondContact O-N 3.09Å; K288-F305 WeakPolarHBondContact CA-O 3.46Å
289Y96.3Very high94.3Very high4 Ų457.3 Ų57.32%0.01628%0.279CS..BIsolated β-bridgetrans-128.3157177.667.3-93.1000112.3F210 P211 N233 A235 L236 P291 F305F210-Y289 HydrophobicContact CB-CD2 3.95Å; F210-Y289 HydrophobicContact CB-CG 4.18Å; F210-Y289 AromaticContact CD1-CD2 3.46Å; F210-Y289 HydrophobicContact CD1-CD2 3.46Å; F210-Y289 VanDerWaalsContact CD1-CD2 3.46Å; F210-Y289 AromaticContact CD1-CE2 3.41Å; F210-Y289 HydrophobicContact CD1-CE2 3.41Å; F210-Y289 VanDerWaalsContact CD1-CE2 3.41Å; F210-Y289 HydrophobicContact CD1-CG 4.4Å; F210-Y289 HydrophobicContact CE1-CD2 4.33Å; F210-Y289 AromaticContact CE1-CE2 3.83Å; F210-Y289 HydrophobicContact CE1-CE2 3.83Å; F210-Y289 HydrophobicContact CG-CD2 4.11Å; F210-Y289 HydrophobicContact CG-CE2 4.35Å; P211-Y289 CarbonylContact O-C 3.57Å; P211-Y289 VanDerWaalsContact O-CA 3.26Å; P211-Y289 WeakPolarHBondContact O-CA 3.4Å; P211-Y289 WeakPolarHBondContact O-CB 3.39Å; N233-Y289 PolarHBondContact OD1-OH 2.94Å; A235-Y289 VanDerWaalsContact C-OH 3.3Å; A235-Y289 VanDerWaalsContact CA-OH 3.22Å; A235-Y289 WeakPolarHBondContact CA-OH 3.36Å; A235-Y289 PolarHBondContact N-OH 3.1Å; L236-Y289 HydrophobicContact CB-CE1 4.28Å; L236-Y289 HydrophobicContact CD1-CD1 3.91Å; L236-Y289 HydrophobicContact CD1-CE1 4.02Å; L236-Y289 HydrophobicContact CD1-CG 4.22Å; L236-Y289 HydrophobicContact CG-CD1 4.07Å; L236-Y289 HydrophobicContact CG-CE1 3.65Å; Y289-P291 WeakPolarHBondContact O-CD 3.33Å; Y289-F305 WeakPolarHBondContact CD1-O 3.46Å; Y289-F305 HydrophobicContact CE1-CB 4.37Å; Y289-F305 HydrophobicContact CE2-CB 4.33Å; Y289-F305 HydrophobicContact CE2-CD1 4.24Å; Y289-F305 PolarHBondContact N-O 2.82Å
290K94.9Very high93.9Very high72 Ų7258.8 Ų58.831%0.31330%0.295SS..  trans-76118173.5-67.6-172.4178.2-1720110.1P211 V213 E216 R386P211-K290 PolarHBondContact O-N 2.78Å; V213-K290 HydrophobicContact CG2-CG 4.38Å; E216-K290 WeakPolarHBondContact OE1-CE 3.37Å; E216-K290 IonicContact OE1-NZ 3.15Å; E216-K290 PolarHBondContact OE1-NZ 2.99Å; E216-K290 IonicContact OE2-NZ 3.27Å; E216-K290 PolarHBondContact OE2-NZ 2.86Å; K290-R386 PolarHBondContact O-NH2 2.86Å
291P94.8Very high93.4Very high35 Ų3565.7 Ų65.723%0.22733%0.325CS..  trans-62.2157.3-178.625.5-33.9000112.6Y289 F305Y289-P291 WeakPolarHBondContact O-CD 3.33Å; P291-F305 HydrophobicContact CB-CD1 3.58Å; P291-F305 HydrophobicContact CB-CE1 3.59Å; P291-F305 HydrophobicContact CB-CG 4.19Å; P291-F305 HydrophobicContact CB-CZ 4.24Å; P291-F305 HydrophobicContact CG-CD1 4.23Å; P291-F305 HydrophobicContact CG-CE1 4.3Å; P291-F305 HydrophobicContact CG-CG 4.38Å
292L94.4Very high92.8Very high8 Ų871.3 Ų71.34%0.04235%0.349CS..SBendtrans-72.3-33.3178.1-66.1172.2000112.6V208 S209 F210 L230 L381 R386V208-L292 HydrophobicContact CG2-CD1 4.39Å; S209-L292 WeakPolarHBondContact O-CD2 3.36Å; F210-L292 HydrophobicContact CD1-CD2 4.39Å; F210-L292 HydrophobicContact CD1-CG 4.08Å; F210-L292 HydrophobicContact CE1-CD1 3.58Å; F210-L292 HydrophobicContact CE1-CD2 4.15Å; F210-L292 HydrophobicContact CE1-CG 3.48Å; F210-L292 VanDerWaalsContact CE1-CG 3.48Å; F210-L292 HydrophobicContact CE2-CD1 4.41Å; F210-L292 HydrophobicContact CZ-CD1 3.48Å; F210-L292 VanDerWaalsContact CZ-CD1 3.48Å; F210-L292 HydrophobicContact CZ-CD2 4.45Å; F210-L292 HydrophobicContact CZ-CG 3.9Å; L230-L292 HydrophobicContact CB-CD1 4.09Å; L230-L292 HydrophobicContact CD1-CD1 4.33Å; L230-L292 HydrophobicContact CD2-CD1 3.89Å; L230-L292 HydrophobicContact CG-CD1 4.34Å; L292-L381 HydrophobicContact CB-CD2 4.33Å; L292-L381 HydrophobicContact CD1-CD2 4.45Å; L292-L381 HydrophobicContact CD2-CD2 3.96Å; L292-L381 HydrophobicContact CG-CD2 4.48Å; L292-R386 HydrophobicContact CD2-CB 4.18Å; L292-R386 HydrophobicContact CD2-CG 4.45Å
293F94.7Very high92.5Very high10 Ų1066.4 Ų66.44%0.04434%0.335CS..  trans-133.1152.9-175.9-61-88000110.6L230 P231 Y295 F365 I377 L380 L381L230-F293 HydrophobicContact CB-CE2 4.11Å; P231-F293 HydrophobicContact CB-CD2 4.4Å; P231-F293 HydrophobicContact CG-CD2 4.41Å; P231-F293 HydrophobicContact CG-CE2 4.09Å; P231-F293 HydrophobicContact CG-CZ 4.24Å; F293-Y295 HydrophobicContact CB-CD2 3.56Å; F293-Y295 HydrophobicContact CB-CE2 3.63Å; F293-Y295 HydrophobicContact CB-CG 4.26Å; F293-Y295 HydrophobicContact CD1-CD2 4.27Å; F293-Y295 AromaticContact CD1-CE2 3.44Å; F293-Y295 HydrophobicContact CD1-CE2 3.44Å; F293-Y295 VanDerWaalsContact CD1-CE2 3.44Å; F293-Y295 AromaticContact CD1-CZ 3.84Å; F293-Y295 HydrophobicContact CE1-CE2 4.27Å; F293-Y295 HydrophobicContact CG-CD2 4.08Å; F293-Y295 AromaticContact CG-CE2 3.69Å; F293-Y295 HydrophobicContact CG-CE2 3.69Å; F293-F365 AromaticContact CE1-CE2 3.95Å; F293-F365 HydrophobicContact CE1-CE2 3.95Å; F293-F365 HydrophobicContact CE1-CZ 4.49Å; F293-F365 HydrophobicContact CZ-CE2 4.4Å; F293-I377 HydrophobicContact CZ-CG2 4.28Å; F293-L380 HydrophobicContact CE1-CD2 3.88Å; F293-L381 HydrophobicContact CE2-CD2 4.36Å; F293-L381 HydrophobicContact CZ-CD2 4.24Å
294H92Very high92.3Very high143 Ų14362.8 Ų62.866%0.66232%0.317SS*.SBendtrans-89.3-9.6-177.1-62.6-68.3000114F296 S297H294-F296 VanDerWaalsContact C-N 3.3Å; H294-F296 PolarHBondContact O-N 2.86Å; H294-F296 VanDerWaalsContact O-N 3.16Å; H294-S297 VanDerWaalsContact CA-OG 3.31Å; H294-S297 WeakPolarHBondContact CA-OG 3.43Å; H294-S297 WeakPolarHBondContact O-CB 3.48Å; H294-S297 PolarHBondContact O-N 3.14Å; H294-S297 VanDerWaalsContact O-N 3.12Å; H294-S297 PolarHBondContact O-OG 3.11Å
295Y93.1Very high92.4Very high48 Ų4863.4 Ų63.419%0.18832%0.319CS..THydrogen-bonded Turntrans-51.8-43-169.6-49.6-45.5000114P231 F293 V362 T363 D364P231-Y295 HydrophobicContact CB-CD2 4.11Å; P231-Y295 HydrophobicContact CB-CE2 4.02Å; F293-Y295 HydrophobicContact CB-CD2 3.56Å; F293-Y295 HydrophobicContact CB-CE2 3.63Å; F293-Y295 HydrophobicContact CB-CG 4.26Å; F293-Y295 HydrophobicContact CD1-CD2 4.27Å; F293-Y295 AromaticContact CD1-CE2 3.44Å; F293-Y295 HydrophobicContact CD1-CE2 3.44Å; F293-Y295 VanDerWaalsContact CD1-CE2 3.44Å; F293-Y295 AromaticContact CD1-CZ 3.84Å; F293-Y295 HydrophobicContact CE1-CE2 4.27Å; F293-Y295 HydrophobicContact CG-CD2 4.08Å; F293-Y295 AromaticContact CG-CE2 3.69Å; F293-Y295 HydrophobicContact CG-CE2 3.69Å; Y295-V362 HydrophobicContact CD2-CB 4.48Å; Y295-V362 HydrophobicContact CD2-CG1 4.27Å; Y295-V362 HydrophobicContact CD2-CG2 4.12Å; Y295-V362 HydrophobicContact CE2-CB 4.35Å; Y295-V362 HydrophobicContact CE2-CG1 3.73Å; Y295-V362 HydrophobicContact CE2-CG2 4.4Å; Y295-T363 WeakPolarHBondContact CE1-OG1 3.26Å; Y295-D364 WeakPolarHBondContact OH-CB 3.34Å; Y295-D364 PolarHBondContact OH-N 2.97Å; Y295-D364 PolarHBondContact OH-OD2 3.38Å
296F92.3Very high92.4Very high25 Ų2559.9 Ų59.911%0.1131%0.305CS..THydrogen-bonded Turntrans-112.123.9-176-55.7-63.9000113.2P231 L234 H294 K298 C299 F305 I349 P351 E361P231-F296 WeakPolarHBondContact O-CD2 3.43Å; P231-F296 WeakPolarHBondContact O-CE2 3.5Å; L234-F296 HydrophobicContact CD2-CB 4.11Å; H294-F296 VanDerWaalsContact C-N 3.3Å; H294-F296 PolarHBondContact O-N 2.86Å; H294-F296 VanDerWaalsContact O-N 3.16Å; F296-K298 PolarHBondContact O-N 3.23Å; F296-C299 VanDerWaalsContact O-CB 3.28Å; F296-C299 WeakPolarHBondContact O-CB 3.41Å; F296-C299 PolarHBondContact O-N 3Å; F296-C299 PolarHBondContact O-SG 2.77Å; F296-C299 VanDerWaalsContact O-SG 3.4Å; F296-F305 WeakPolarHBondContact O-CE2 3.14Å; F296-F305 WeakPolarHBondContact O-CZ 3.37Å; F296-I349 HydrophobicContact CD1-CG2 3.56Å; F296-I349 HydrophobicContact CD2-CG2 4.29Å; F296-I349 HydrophobicContact CE1-CG2 3.46Å; F296-I349 VanDerWaalsContact CE1-CG2 3.46Å; F296-I349 HydrophobicContact CE2-CG2 4.2Å; F296-I349 HydrophobicContact CG-CG2 4Å; F296-I349 HydrophobicContact CZ-CG2 3.81Å; F296-P351 HydrophobicContact CE2-CG 4.1Å; F296-P351 HydrophobicContact CZ-CB 4Å; F296-P351 HydrophobicContact CZ-CG 3.8Å; F296-E361 HydrophobicContact CE1-CB 4.28Å; F296-E361 HydrophobicContact CZ-CB 4.26Å
297S89.2Confident92.5Very high46 Ų4658.3 Ų58.332%0.32229%0.289SS..G310 helixtrans-55.2-30.3-176.8-56.90000113.4H294 C299 A300H294-S297 VanDerWaalsContact CA-OG 3.31Å; H294-S297 WeakPolarHBondContact CA-OG 3.43Å; H294-S297 WeakPolarHBondContact O-CB 3.48Å; H294-S297 PolarHBondContact O-N 3.14Å; H294-S297 VanDerWaalsContact O-N 3.12Å; H294-S297 PolarHBondContact O-OG 3.11Å; S297-C299 PolarHBondContact O-N 2.78Å; S297-A300 WeakPolarHBondContact O-CB 3.48Å; S297-A300 PolarHBondContact O-N 2.8Å
298K87.7Confident92.6Very high174 Ų17455.5 Ų55.576%0.75728%0.276SS*.G310 helixtrans-59.4-25.6175.6-63.2-176.6-179.6-179.50113.2F296 A300 E301F296-K298 PolarHBondContact O-N 3.23Å; K298-A300 PolarHBondContact O-N 3.42Å; K298-A300 VanDerWaalsContact O-N 3.14Å; K298-E301 WeakPolarHBondContact O-CB 3.35Å; K298-E301 PolarHBondContact O-N 2.68Å
299C89.1Confident92.6Very high17 Ų1749.7 Ų49.712%0.11525%0.253CS..G310 helixtrans-65.8-14.3176.8-57.40000112.7L234 F296 S297 E301 K302 G303 A304 F305L234-C299 HydrophobicContact CD2-CB 4.07Å; F296-C299 VanDerWaalsContact O-CB 3.28Å; F296-C299 WeakPolarHBondContact O-CB 3.41Å; F296-C299 PolarHBondContact O-N 3Å; F296-C299 PolarHBondContact O-SG 2.77Å; F296-C299 VanDerWaalsContact O-SG 3.4Å; S297-C299 PolarHBondContact O-N 2.78Å; C299-E301 PolarHBondContact O-N 2.93Å; C299-K302 CarbonylContact O-C 3.57Å; C299-K302 WeakPolarHBondContact O-CA 3.45Å; C299-K302 PolarHBondContact O-N 3.21Å; C299-G303 PolarHBondContact O-N 3.12Å; C299-A304 HydrophobicContact CB-CB 3.64Å; C299-A304 VanDerWaalsContact O-CB 3.22Å; C299-A304 WeakPolarHBondContact O-CB 3.49Å; C299-A304 PolarHBondContact O-N 3.37Å; C299-F305 HydrophobicContact CB-CE2 4.48Å
300A88.6Confident92.6Very high54 Ų5450.6 Ų50.645%0.44626%0.258SS..G310 helixtrans-57.2-33.617200000112.3S297 K298 K302 G303 F305S297-A300 WeakPolarHBondContact O-CB 3.48Å; S297-A300 PolarHBondContact O-N 2.8Å; K298-A300 PolarHBondContact O-N 3.42Å; K298-A300 VanDerWaalsContact O-N 3.14Å; A300-K302 PolarHBondContact O-N 2.63Å; A300-G303 PolarHBondContact O-N 3.12Å; A300-F305 HydrophobicContact CB-CD2 3.91Å; A300-F305 HydrophobicContact CB-CE2 4.26Å
301E86.7Confident92.6Very high180 Ų18051.2 Ų51.284%0.84127%0.265SS*.G310 helixtrans-63.3-26.8176.1-63.9172.8-168.400112.2K298 C299K298-E301 WeakPolarHBondContact O-CB 3.35Å; K298-E301 PolarHBondContact O-N 2.68Å; C299-E301 PolarHBondContact O-N 2.93Å
302K83.3Confident92.5Very high117 Ų11752 Ų5251%0.50926%0.263SS..G310 helixtrans-95.712176.4-60.2-176.7174.3-174.90113C299 A300 Q346C299-K302 CarbonylContact O-C 3.57Å; C299-K302 WeakPolarHBondContact O-CA 3.45Å; C299-K302 PolarHBondContact O-N 3.21Å; A300-K302 PolarHBondContact O-N 2.63Å; K302-Q346 VanDerWaalsContact NZ-OE1 3.17Å
303G89.2Confident92.5Very high26 Ų2651.8 Ų51.827%0.26826%0.263SS..THydrogen-bonded Turntrans86.216.7178.500000115.5C299 A300 Q306C299-G303 PolarHBondContact O-N 3.12Å; A300-G303 PolarHBondContact O-N 3.12Å; G303-Q306 WeakPolarHBondContact O-CG 3.37Å; G303-Q306 PolarHBondContact O-NE2 3Å
304A93.3Very high92.4Very high9 Ų956.8 Ų56.87%0.07428%0.284CS..  trans-70.7169.7169.800000112.6L234 C299 I341L234-A304 HydrophobicContact CB-CB 4.36Å; L234-A304 HydrophobicContact CD2-CB 4.28Å; L234-A304 CarbonylContact O-C 3.49Å; L234-A304 WeakPolarHBondContact O-CA 3.34Å; C299-A304 HydrophobicContact CB-CB 3.64Å; C299-A304 VanDerWaalsContact O-CB 3.22Å; C299-A304 WeakPolarHBondContact O-CB 3.49Å; C299-A304 PolarHBondContact O-N 3.37Å; A304-I341 HydrophobicContact CB-CG2 4Å
305F96.4Very high92.4Very high13 Ų1354.7 Ų54.76%0.05728%0.275CS..SBendtrans6441.1177.6-43.7-66.1000114.4N233 L234 K288 Y289 P291 F296 C299 A300N233-F305 WeakPolarHBondContact O-CE1 3.29Å; L234-F305 HydrophobicContact CD2-CE1 4.37Å; L234-F305 HydrophobicContact CD2-CZ 4.25Å; L234-F305 PolarHBondContact O-N 3.36Å; K288-F305 WeakPolarHBondContact CA-O 3.46Å; Y289-F305 WeakPolarHBondContact CD1-O 3.46Å; Y289-F305 HydrophobicContact CE1-CB 4.37Å; Y289-F305 HydrophobicContact CE2-CB 4.33Å; Y289-F305 HydrophobicContact CE2-CD1 4.24Å; Y289-F305 PolarHBondContact N-O 2.82Å; P291-F305 HydrophobicContact CB-CD1 3.58Å; P291-F305 HydrophobicContact CB-CE1 3.59Å; P291-F305 HydrophobicContact CB-CG 4.19Å; P291-F305 HydrophobicContact CB-CZ 4.24Å; P291-F305 HydrophobicContact CG-CD1 4.23Å; P291-F305 HydrophobicContact CG-CE1 4.3Å; P291-F305 HydrophobicContact CG-CG 4.38Å; F296-F305 WeakPolarHBondContact O-CE2 3.14Å; F296-F305 WeakPolarHBondContact O-CZ 3.37Å; C299-F305 HydrophobicContact CB-CE2 4.48Å; A300-F305 HydrophobicContact CB-CD2 3.91Å; A300-F305 HydrophobicContact CB-CE2 4.26Å
306Q96.5Very high92.3Very high43 Ų4357.9 Ų57.920%0.20129%0.292CS..EExtended strand (participates in β ladder)trans-129166.1172.765.6178.4-31.800111.8A235 L236 K287 G303A235-Q306 WeakPolarHBondContact CA-O 3.46Å; A235-Q306 WeakPolarHBondContact CB-O 3.37Å; L236-Q306 PolarHBondContact N-O 3.48Å; L236-Q306 VanDerWaalsContact N-O 3.16Å; K287-Q306 CarbonylContact O-C 3.55Å; K287-Q306 VanDerWaalsContact O-CA 3.27Å; K287-Q306 WeakPolarHBondContact O-CA 3.36Å; G303-Q306 WeakPolarHBondContact O-CG 3.37Å; G303-Q306 PolarHBondContact O-NE2 3Å
307V97.6Very high91.9Very high1 Ų162.8 Ų62.81%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-82.3127.5172.3-179.80000110.4L220 L236 V238 L284 G286 K287L220-V307 HydrophobicContact CD1-CG2 4.1Å; L220-V307 HydrophobicContact CD2-CG2 3.79Å; L236-V307 HydrophobicContact CB-CG2 4.36Å; L236-V307 CarbonylContact O-C 3.56Å; L236-V307 VanDerWaalsContact O-CA 3.24Å; L236-V307 WeakPolarHBondContact O-CA 3.37Å; V238-V307 HydrophobicContact CB-CG1 4.47Å; V238-V307 HydrophobicContact CG1-CG1 4.04Å; V238-V307 HydrophobicContact CG2-CG1 3.68Å; L284-V307 HydrophobicContact CB-CG1 3.93Å; L284-V307 VanDerWaalsContact O-CB 3.27Å; L284-V307 WeakPolarHBondContact O-CB 3.34Å; G286-V307 PolarHBondContact N-O 2.82Å; K287-V307 HydrophobicContact CB-CG2 4.31Å; K287-V307 PolarHBondContact O-N 2.93Å
308V97.6Very high92.1Very high0 Ų061 Ų610%030%0.304CS..EExtended strand (participates in β ladder)trans-111.3164.5173.6-62.30000110A235 L236 C237 V238 Q324 V335 Y339 I341A235-V308 HydrophobicContact CB-CG1 4.31Å; A235-V308 HydrophobicContact CB-CG2 4.2Å; L236-V308 WeakPolarHBondContact O-CG2 3.25Å; L236-V308 PolarHBondContact O-N 3.32Å; C237-V308 WeakPolarHBondContact CA-O 3.48Å; C237-V308 HydrophobicContact CB-CG2 3.91Å; V238-V308 PolarHBondContact N-O 3.45Å; V308-Q324 HydrophobicContact CG2-CG 4.43Å; V308-V335 HydrophobicContact CB-CG1 4.22Å; V308-V335 HydrophobicContact CG2-CG1 3.61Å; V308-Y339 HydrophobicContact CB-CD1 4.1Å; V308-Y339 HydrophobicContact CB-CD2 4.05Å; V308-Y339 HydrophobicContact CB-CE1 4.05Å; V308-Y339 HydrophobicContact CB-CE2 4Å; V308-Y339 HydrophobicContact CB-CG 4.1Å; V308-Y339 HydrophobicContact CG1-CD1 3.64Å; V308-Y339 HydrophobicContact CG1-CD2 4.1Å; V308-Y339 HydrophobicContact CG1-CE1 4.04Å; V308-Y339 HydrophobicContact CG1-CE2 4.47Å; V308-Y339 HydrophobicContact CG1-CG 3.66Å; V308-I341 HydrophobicContact CG1-CD1 3.76Å
309T97.2Very high92.4Very high18 Ų1852.8 Ų52.811%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-126.4134.5-178.865.10000112.4V238 P240 K285 Y339V238-T309 HydrophobicContact CG2-CG2 3.88Å; V238-T309 WeakPolarHBondContact O-CA 3.49Å; P240-T309 HydrophobicContact CB-CG2 4.41Å; K285-T309 HydrophobicContact CB-CG2 3.85Å; K285-T309 HydrophobicContact CD-CG2 4.31Å; K285-T309 HydrophobicContact CG-CG2 4.06Å; T309-Y339 PolarHBondContact N-OH 3.04Å; T309-Y339 PolarHBondContact O-OH 3.09Å; T309-Y339 PolarHBondContact OG1-OH 3.11Å
310D96.3Very high92.7Very high24 Ų2452.1 Ų52.113%0.12826%0.264CS..  trans-155.5151.9174-167.9-80.4000111.2V238 Y312 R334 V335V238-D310 PolarHBondContact O-N 3.13Å; V238-D310 VanDerWaalsContact O-N 3.13Å; D310-Y312 VanDerWaalsContact C-N 3.29Å; D310-Y312 HydrophobicContact CB-CD1 3.76Å; D310-Y312 HydrophobicContact CB-CE1 4.26Å; D310-Y312 PolarHBondContact O-N 2.83Å; D310-Y312 WeakPolarHBondContact OD1-CB 3.5Å; D310-Y312 VanDerWaalsContact OD1-CD1 3.26Å; D310-Y312 WeakPolarHBondContact OD1-CD1 3.34Å; D310-Y312 PolarHBondContact OD1-N 3.11Å; D310-R334 IonicContact OD1-NH1 2.85Å; D310-R334 IonicContact OD1-NH2 2.84Å; D310-R334 PolarHBondContact OD1-NH2 2.8Å; D310-R334 VanDerWaalsContact OD1-NH2 3.13Å; D310-R334 IonicContact OD2-CZ 3.37Å; D310-R334 IonicContact OD2-NH1 3.91Å; D310-R334 PolarHBondContact OD2-NH1 2.73Å; D310-R334 IonicContact OD2-NH2 2.74Å; D310-R334 PolarHBondContact OD2-NH2 3.28Å; D310-V335 HydrophobicContact CB-CG1 4.48Å; D310-V335 HydrophobicContact CB-CG2 3.78Å
311N94Very high93.1Very high85 Ų8549.6 Ų49.646%0.45524%0.243SC..THydrogen-bonded Turntrans-82.2-2.9-175.1-64.5-12.9000113.7P240 V313 K314P240-N311 VanDerWaalsContact CD-OD1 3.24Å; P240-N311 WeakPolarHBondContact CD-OD1 3.43Å; P240-N311 WeakPolarHBondContact CG-OD1 3.39Å; N311-V313 VanDerWaalsContact C-N 3.27Å; N311-V313 PolarHBondContact O-N 2.8Å; N311-K314 PolarHBondContact O-NZ 2.82Å
312Y94Very high93.6Very high50 Ų5043.2 Ų43.220%0.19622%0.216CC..THydrogen-bonded Turntrans-69.4-25.7175.192.5-92.4000112.4C237 D310 K314 V322 Q324 D331 V335C237-Y312 HydrophobicContact CB-CE1 4.17Å; D310-Y312 VanDerWaalsContact C-N 3.29Å; D310-Y312 HydrophobicContact CB-CD1 3.76Å; D310-Y312 HydrophobicContact CB-CE1 4.26Å; D310-Y312 PolarHBondContact O-N 2.83Å; D310-Y312 WeakPolarHBondContact OD1-CB 3.5Å; D310-Y312 VanDerWaalsContact OD1-CD1 3.26Å; D310-Y312 WeakPolarHBondContact OD1-CD1 3.34Å; D310-Y312 PolarHBondContact OD1-N 3.11Å; Y312-K314 WeakPolarHBondContact O-CG 3.35Å; Y312-K314 PolarHBondContact O-N 3.44Å; Y312-V322 WeakPolarHBondContact OH-CG1 3.15Å; Y312-Q324 PolarHBondContact OH-NE2 3.19Å; Y312-Q324 PolarHBondContact OH-OE1 2.94Å; Y312-D331 HydrophobicContact CD1-CB 4.29Å; Y312-D331 HydrophobicContact CD2-CB 4.12Å; Y312-D331 HydrophobicContact CE1-CB 4.26Å; Y312-D331 HydrophobicContact CE2-CB 4.06Å; Y312-D331 HydrophobicContact CG-CB 4.23Å; Y312-V335 HydrophobicContact CD1-CG2 4.18Å; Y312-V335 HydrophobicContact CE1-CG2 4.02Å
313V94.2Very high94.3Very high4 Ų438.1 Ų38.12%0.02419%0.194CC..  trans-68.5124.3175.5-178.70000109.6C237 N239 M259 N311 V322C237-V313 HydrophobicContact CB-CG2 4.16Å; N239-V313 HydrophobicContact CB-CB 4.17Å; N239-V313 HydrophobicContact CB-CG1 4.47Å; N239-V313 PolarHBondContact ND2-O 3.12Å; M259-V313 HydrophobicContact CE-CG1 4.48Å; N311-V313 VanDerWaalsContact C-N 3.27Å; N311-V313 PolarHBondContact O-N 2.8Å; V313-V322 HydrophobicContact CB-CG2 4.49Å; V313-V322 HydrophobicContact CG1-CG2 4Å; V313-V322 HydrophobicContact CG2-CB 4.4Å; V313-V322 HydrophobicContact CG2-CG2 3.87Å
314K92.8Very high94.7Very high116 Ų11636.9 Ų36.950%0.50418%0.182SC..  trans-110.2171.5-175.4-50.3-58.5-177-167.50113.4N311 Y312 E316N311-K314 PolarHBondContact O-NZ 2.82Å; Y312-K314 WeakPolarHBondContact O-CG 3.35Å; Y312-K314 PolarHBondContact O-N 3.44Å; K314-E316 WeakPolarHBondContact CB-OE2 3.31Å
315E92.3Very high94.8Very high99 Ų9936.5 Ų36.546%0.46318%0.179SC..SBendtrans-93.5-8.5-173.865.3177.3-170.400114.4F242 M259 R262F242-E315 HydrophobicContact CE2-CB 4.21Å; F242-E315 HydrophobicContact CZ-CB 4.48Å; M259-E315 HydrophobicContact SD-CB 4.03Å; R262-E315 WeakPolarHBondContact CD-O 3.48Å
316E89.6Confident94.7Very high115 Ų11536 Ų3654%0.53718%0.176SC..SBendtrans-92.1-19.3-167.7-50.883.3176.500113.9R262 K314R262-E316 PolarHBondContact NH1-O 3.09Å; R262-E316 PolarHBondContact NH2-O 3.43Å; K314-E316 WeakPolarHBondContact CB-OE2 3.31Å
317E85.1Confident94.5Very high127 Ų12734 Ų3459%0.59317%0.167SC*.SBendtrans-137.8155.5-172-64.9-171.7174.600114.1
318G91.9Very high94.4Very high9 Ų934.8 Ų34.89%0.09317%0.17CC..THydrogen-bonded Turntrans65.1-144.8179.600000114.6W223 R262 A265W223-G318 VanDerWaalsContact CE3-CA 3.46Å; R262-G318 PolarHBondContact NE-O 3.19Å; A265-G318 WeakPolarHBondContact CB-O 3.25Å
319T95.7Very high94.2Very high1 Ų135.4 Ų35.41%0.00618%0.177CC..THydrogen-bonded Turntrans-103.4-1.4178.658.40000113.4I207 I221 W223 M258 M259 V321I207-T319 HydrophobicContact CD1-CG2 4.12Å; I207-T319 HydrophobicContact CG1-CG2 4.33Å; I207-T319 HydrophobicContact CG2-CG2 4.04Å; I221-T319 HydrophobicContact CD1-CG2 4.17Å; I221-T319 HydrophobicContact CG1-CG2 4.14Å; I221-T319 WeakPolarHBondContact O-CB 3.35Å; I221-T319 PolarHBondContact O-OG1 3Å; W223-T319 HydrophobicContact CB-CG2 4.1Å; M258-T319 HydrophobicContact CE-CG2 4.4Å; M259-T319 WeakPolarHBondContact CB-O 3.35Å; M259-T319 PolarHBondContact N-O 3.39Å; T319-V321 PolarHBondContact O-N 3.19Å; T319-V321 PolarHBondContact OG1-N 3.36Å; T319-V321 PolarHBondContact OG1-O 3.37Å
320G94.8Very high93.8Very high3 Ų337.8 Ų37.83%0.03120%0.198CC..SBendtrans74.74.8-168.900000114.7Y244Y244-G320 VanDerWaalsContact CE1-O 3.26Å; Y244-G320 WeakPolarHBondContact CE1-O 3.13Å; Y244-G320 PolarHBondContact OH-O 2.76Å
321V97.1Very high93.6Very high2 Ų239.9 Ų39.91%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-118.4123.9168.1-174.80000107.7L220 I221 A222 L236 V238 Y244 T319L220-V321 HydrophobicContact CD2-CG1 4.16Å; L220-V321 HydrophobicContact CD2-CG2 4.38Å; I221-V321 WeakPolarHBondContact O-CB 3.38Å; A222-V321 WeakPolarHBondContact CA-O 3.35Å; A222-V321 HydrophobicContact CB-CB 4.47Å; A222-V321 HydrophobicContact CB-CG1 4.31Å; A222-V321 WeakPolarHBondContact CB-O 3.3Å; L236-V321 HydrophobicContact CB-CG1 3.96Å; L236-V321 HydrophobicContact CD1-CG1 4.19Å; L236-V321 HydrophobicContact CD2-CG1 4.3Å; L236-V321 HydrophobicContact CG-CG1 4.38Å; V238-V321 HydrophobicContact CG1-CB 4.41Å; V238-V321 HydrophobicContact CG1-CG1 4.16Å; V238-V321 HydrophobicContact CG1-CG2 4.02Å; Y244-V321 HydrophobicContact CD1-CG2 4.4Å; Y244-V321 HydrophobicContact CE1-CG2 3.95Å; T319-V321 PolarHBondContact O-N 3.19Å; T319-V321 PolarHBondContact OG1-N 3.36Å; T319-V321 PolarHBondContact OG1-O 3.37Å
322V97.1Very high93.6Very high45 Ų4537 Ų3727%0.27319%0.194SC..EExtended strand (participates in β ladder)trans-111.9121.8-174.1-174.40000109.6L236 C237 Y312 V313 Q324L236-V322 CarbonylContact C-O 3.58Å; L236-V322 WeakPolarHBondContact CA-O 3.33Å; C237-V322 PolarHBondContact N-O 2.67Å; C237-V322 PolarHBondContact O-N 3.47Å; Y312-V322 WeakPolarHBondContact OH-CG1 3.15Å; V313-V322 HydrophobicContact CB-CG2 4.49Å; V313-V322 HydrophobicContact CG1-CG2 4Å; V313-V322 HydrophobicContact CG2-CB 4.4Å; V313-V322 HydrophobicContact CG2-CG2 3.87Å; V322-Q324 PolarHBondContact O-NE2 3.36Å
323H97.5Very high93.6Very high11 Ų1136.1 Ų36.15%0.05119%0.191CC..EExtended strand (participates in β ladder)trans-67.8141.9173.79788.2000110F210 A222 T229 L236F210-H323 HydrophobicContact CZ-CB 4.42Å; A222-H323 HydrophobicContact CB-CB 4.36Å; T229-H323 PolarHBondContact OG1-CE1 3.33Å; T229-H323 PolarHBondContact OG1-NE2 3.01Å; L236-H323 HydrophobicContact CD2-CB 4.04Å
324Q97.3Very high93.5Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-104.8119.3179.7-54.1-60.6-69.600109.5N233 L234 A235 C237 V308 Y312 V322 D332N233-Q324 CarbonylContact C-O 3.55Å; N233-Q324 VanDerWaalsContact CA-O 3.28Å; N233-Q324 WeakPolarHBondContact CA-O 3.41Å; N233-Q324 PolarHBondContact ND2-N 2.9Å; N233-Q324 PolarHBondContact ND2-O 2.93Å; L234-Q324 PolarHBondContact N-O 3.44Å; A235-Q324 HydrophobicContact CB-CB 3.97Å; A235-Q324 HydrophobicContact CB-CG 3.88Å; A235-Q324 WeakPolarHBondContact O-CB 3.48Å; A235-Q324 PolarHBondContact O-N 3.17Å; C237-Q324 HydrophobicContact CB-CG 4.09Å; V308-Q324 HydrophobicContact CG2-CG 4.43Å; Y312-Q324 PolarHBondContact OH-NE2 3.19Å; Y312-Q324 PolarHBondContact OH-OE1 2.94Å; V322-Q324 PolarHBondContact O-NE2 3.36Å; Q324-D332 WeakPolarHBondContact CA-OD2 3.28Å; Q324-D332 HydrophobicContact CB-CB 4.5Å; Q324-D332 VanDerWaalsContact OE1-CA 3.31Å
325A96.3Very high93.5Very high1 Ų133.5 Ų33.51%0.00818%0.177CC..  trans-120.886.616900000109Y327 F328 G329 D332A325-Y327 PolarHBondContact O-N 2.98Å; A325-F328 HydrophobicContact CB-CD2 4.21Å; A325-F328 PolarHBondContact O-N 3.12Å; A325-G329 PolarHBondContact O-N 3.14Å; A325-D332 PolarHBondContact N-OD2 3.15Å
326P93.3Very high93.6Very high1 Ų128.8 Ų28.81%0.00616%0.155CC..THydrogen-bonded Turntrans-58.5-25.7-160.3-31.339.9000116.2L234 Y333 C336 I342L234-P326 HydrophobicContact CB-CG 4.35Å; L234-P326 HydrophobicContact CD1-CG 4.04Å; P326-Y333 WeakPolarHBondContact O-CA 3.44Å; P326-Y333 WeakPolarHBondContact O-CB 3.43Å; P326-Y333 WeakPolarHBondContact O-CD2 3.44Å; P326-Y333 PolarHBondContact O-N 3.18Å; P326-C336 HydrophobicContact CB-CB 4.11Å; P326-C336 HydrophobicContact CG-CB 3.59Å; P326-C336 WeakPolarHBondContact CG-SG 3.49Å; P326-I342 HydrophobicContact CB-CD1 3.63Å; P326-I342 HydrophobicContact CB-CG1 4.45Å; P326-I342 HydrophobicContact CB-CG2 4.43Å; P326-I342 HydrophobicContact CG-CD1 4.49Å; P326-I342 HydrophobicContact CG-CG2 4.41Å
327Y93.8Very high93.7Very high3 Ų324.5 Ų24.51%0.01214%0.137CC..THydrogen-bonded Turntrans-94.77-177.4-64.5-87.2000113.4V176 A325 Y333 I342 Q346 P348 I349 C350 K410 A411V176-Y327 HydrophobicContact CG2-CD1 4.02Å; V176-Y327 HydrophobicContact CG2-CE1 3.8Å; A325-Y327 PolarHBondContact O-N 2.98Å; Y327-Y333 HydrophobicContact CD1-CE2 4.42Å; Y327-Y333 HydrophobicContact CE1-CD2 4.49Å; Y327-Y333 HydrophobicContact CE1-CE2 4Å; Y327-I342 HydrophobicContact CE2-CD1 4.47Å; Y327-I342 HydrophobicContact CE2-CG2 4.14Å; Y327-Q346 PolarHBondContact OH-NE2 2.96Å; Y327-P348 HydrophobicContact CD1-CB 3.94Å; Y327-P348 HydrophobicContact CE1-CB 3.63Å; Y327-P348 HydrophobicContact CE1-CG 4.47Å; Y327-I349 HydrophobicContact CD2-CB 3.89Å; Y327-I349 WeakPolarHBondContact CD2-O 3.31Å; Y327-I349 HydrophobicContact CE2-CB 3.61Å; Y327-I349 HydrophobicContact CE2-CG1 4.08Å; Y327-I349 VanDerWaalsContact CE2-N 3.28Å; Y327-I349 VanDerWaalsContact CZ-N 3.35Å; Y327-C350 HydrophobicContact CG-CB 4.32Å; Y327-K410 CarbonylContact O-C 3.59Å; Y327-A411 HydrophobicContact CD1-CB 3.53Å; Y327-A411 HydrophobicContact CG-CB 4.12Å; Y327-A411 WeakPolarHBondContact O-CB 3.23Å; Y327-A411 PolarHBondContact O-N 3.18Å
328F94.9Very high94Very high16 Ų1623.3 Ų23.37%0.0713%0.131CC..THydrogen-bonded Turntrans-128.3-4.6178.3-54.5-76.8000113.4W228 T229 S232 A325 V352 Y409 K410W228-F328 HydrophobicContact CH2-CB 4.29Å; W228-F328 AromaticContact CH2-CD1 3.6Å; W228-F328 HydrophobicContact CH2-CD1 3.6Å; W228-F328 HydrophobicContact CH2-CE1 4.21Å; W228-F328 HydrophobicContact CH2-CG 4.08Å; W228-F328 AromaticContact CZ3-CD1 3.49Å; W228-F328 HydrophobicContact CZ3-CD1 3.49Å; W228-F328 VanDerWaalsContact CZ3-CD1 3.49Å; W228-F328 AromaticContact CZ3-CE1 3.69Å; W228-F328 HydrophobicContact CZ3-CE1 3.69Å; W228-F328 AromaticContact CZ3-CG 3.99Å; W228-F328 HydrophobicContact CZ3-CG 3.99Å; W228-F328 HydrophobicContact CZ3-CZ 4.34Å; T229-F328 HydrophobicContact CG2-CB 4.13Å; T229-F328 HydrophobicContact CG2-CG 4.42Å; S232-F328 WeakPolarHBondContact OG-CE2 3.29Å; A325-F328 HydrophobicContact CB-CD2 4.21Å; A325-F328 PolarHBondContact O-N 3.12Å; F328-V352 HydrophobicContact CE1-CB 4.14Å; F328-V352 HydrophobicContact CE1-CG2 3.84Å; F328-V352 HydrophobicContact CZ-CB 4.25Å; F328-V352 HydrophobicContact CZ-CG2 3.71Å; F328-Y409 WeakPolarHBondContact CA-O 3.18Å; F328-Y409 WeakPolarHBondContact CD1-O 3.38Å; F328-Y409 WeakPolarHBondContact O-CB 3.36Å; F328-K410 HydrophobicContact CE1-CG 4.37Å
329G92.3Very high94.1Very high14 Ų1425.6 Ų25.614%0.14414%0.137CC..  trans-135.6138.4175.300000111.7A325 Y333A325-G329 PolarHBondContact O-N 3.14Å; G329-Y333 WeakPolarHBondContact O-CB 3.26Å; G329-Y333 PolarHBondContact O-N 2.73Å
330A89.4Confident93.9Very high67 Ų6731.1 Ų31.155%0.55417%0.167SC*.Hα-helixtrans-71.2-42.2-178.100000112.3Y333 R334A330-Y333 PolarHBondContact O-N 3.11Å; A330-R334 PolarHBondContact O-N 3.17Å; A330-R334 VanDerWaalsContact O-N 3.07Å
331D92.4Very high93.8Very high68 Ų6831.1 Ų31.136%0.36417%0.166SC..Hα-helixtrans-66.6-40.6172.7-76.5-59.1000111.2Y312 Y333 R334 V335Y312-D331 HydrophobicContact CD1-CB 4.29Å; Y312-D331 HydrophobicContact CD2-CB 4.12Å; Y312-D331 HydrophobicContact CE1-CB 4.26Å; Y312-D331 HydrophobicContact CE2-CB 4.06Å; Y312-D331 HydrophobicContact CG-CB 4.23Å; D331-Y333 VanDerWaalsContact C-N 3.31Å; D331-Y333 PolarHBondContact O-N 3.41Å; D331-R334 PolarHBondContact O-N 2.75Å; D331-R334 VanDerWaalsContact O-N 3.14Å; D331-R334 IonicContact OD1-CZ 3.75Å; D331-R334 IonicContact OD1-NE 3.97Å; D331-R334 PolarHBondContact OD1-NE 3.09Å; D331-R334 IonicContact OD1-NH2 3.78Å; D331-R334 PolarHBondContact OD1-NH2 3.4Å; D331-V335 WeakPolarHBondContact O-CB 3.35Å; D331-V335 WeakPolarHBondContact O-CG2 3.48Å; D331-V335 PolarHBondContact O-N 2.85Å
332D94.9Very high93.5Very high24 Ų2431.1 Ų31.113%0.12817%0.166CC..Hα-helixtrans-57.2-45175.3-54.132.5000111.9Q324 A325 C336Q324-D332 WeakPolarHBondContact CA-OD2 3.28Å; Q324-D332 HydrophobicContact CB-CB 4.5Å; Q324-D332 VanDerWaalsContact OE1-CA 3.31Å; A325-D332 PolarHBondContact N-OD2 3.15Å; D332-C336 VanDerWaalsContact O-CB 3.22Å; D332-C336 WeakPolarHBondContact O-CB 3.42Å; D332-C336 PolarHBondContact O-N 2.8Å; D332-C336 PolarHBondContact O-SG 3.14Å; D332-C336 VanDerWaalsContact O-SG 3.33Å
333Y92.6Very high93Very high33 Ų3333.7 Ų33.713%0.12918%0.175CC..Hα-helixtrans-59.6-50.4174.8-169.6-98.3000111.2V176 P326 Y327 G329 A330 D331 T337 I342V176-Y333 HydrophobicContact CG2-CD2 4.23Å; V176-Y333 HydrophobicContact CG2-CE2 3.36Å; P326-Y333 WeakPolarHBondContact O-CA 3.44Å; P326-Y333 WeakPolarHBondContact O-CB 3.43Å; P326-Y333 WeakPolarHBondContact O-CD2 3.44Å; P326-Y333 PolarHBondContact O-N 3.18Å; Y327-Y333 HydrophobicContact CD1-CE2 4.42Å; Y327-Y333 HydrophobicContact CE1-CD2 4.49Å; Y327-Y333 HydrophobicContact CE1-CE2 4Å; G329-Y333 WeakPolarHBondContact O-CB 3.26Å; G329-Y333 PolarHBondContact O-N 2.73Å; A330-Y333 PolarHBondContact O-N 3.11Å; D331-Y333 VanDerWaalsContact C-N 3.31Å; D331-Y333 PolarHBondContact O-N 3.41Å; Y333-T337 VanDerWaalsContact O-CB 3.29Å; Y333-T337 WeakPolarHBondContact O-CB 3.48Å; Y333-T337 PolarHBondContact O-N 3.26Å; Y333-T337 PolarHBondContact O-OG1 3.45Å; Y333-I342 HydrophobicContact CD2-CD1 3.48Å; Y333-I342 VanDerWaalsContact CD2-CD1 3.48Å; Y333-I342 HydrophobicContact CE2-CD1 3.54Å; Y333-I342 HydrophobicContact CG-CD1 4.15Å
334R91.8Very high92.2Very high65 Ų6536.9 Ų36.925%0.24519%0.187CC..Hα-helixtrans-60.7-55.1-177.9178.1-177.261.876.2-2.1111.2D310 A330 D331 C336 T337 E338D310-R334 IonicContact OD1-NH1 2.85Å; D310-R334 IonicContact OD1-NH2 2.84Å; D310-R334 PolarHBondContact OD1-NH2 2.8Å; D310-R334 VanDerWaalsContact OD1-NH2 3.13Å; D310-R334 IonicContact OD2-CZ 3.37Å; D310-R334 IonicContact OD2-NH1 3.91Å; D310-R334 PolarHBondContact OD2-NH1 2.73Å; D310-R334 IonicContact OD2-NH2 2.74Å; D310-R334 PolarHBondContact OD2-NH2 3.28Å; A330-R334 PolarHBondContact O-N 3.17Å; A330-R334 VanDerWaalsContact O-N 3.07Å; D331-R334 PolarHBondContact O-N 2.75Å; D331-R334 VanDerWaalsContact O-N 3.14Å; D331-R334 IonicContact OD1-CZ 3.75Å; D331-R334 IonicContact OD1-NE 3.97Å; D331-R334 PolarHBondContact OD1-NE 3.09Å; D331-R334 IonicContact OD1-NH2 3.78Å; D331-R334 PolarHBondContact OD1-NH2 3.4Å; R334-C336 PolarHBondContact O-N 2.93Å; R334-T337 WeakPolarHBondContact O-CB 3.39Å; R334-T337 PolarHBondContact O-N 3.06Å; R334-T337 VanDerWaalsContact O-N 3.15Å; R334-E338 VanDerWaalsContact CG-OE1 3.26Å; R334-E338 WeakPolarHBondContact CG-OE1 3.33Å; R334-E338 IonicContact NH1-OE1 2.59Å; R334-E338 PolarHBondContact NH1-OE1 3.46Å; R334-E338 IonicContact NH1-OE2 2.8Å; R334-E338 WeakPolarHBondContact O-CG 3.36Å; R334-E338 PolarHBondContact O-N 3.36Å
335V94.3Very high90.9Very high0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-62-46.2-177.7175.50000110.4V308 D310 Y312 D331 T337 E338 Y339V308-V335 HydrophobicContact CB-CG1 4.22Å; V308-V335 HydrophobicContact CG2-CG1 3.61Å; D310-V335 HydrophobicContact CB-CG1 4.48Å; D310-V335 HydrophobicContact CB-CG2 3.78Å; Y312-V335 HydrophobicContact CD1-CG2 4.18Å; Y312-V335 HydrophobicContact CE1-CG2 4.02Å; D331-V335 WeakPolarHBondContact O-CB 3.35Å; D331-V335 WeakPolarHBondContact O-CG2 3.48Å; D331-V335 PolarHBondContact O-N 2.85Å; V335-T337 VanDerWaalsContact C-N 3.25Å; V335-T337 PolarHBondContact O-N 3.24Å; V335-E338 PolarHBondContact O-N 2.65Å; V335-Y339 HydrophobicContact CG1-CD2 4.02Å; V335-Y339 HydrophobicContact CG1-CE2 4.2Å; V335-Y339 VanDerWaalsContact O-CD2 3.31Å; V335-Y339 WeakPolarHBondContact O-CD2 3.37Å; V335-Y339 PolarHBondContact O-N 3.08Å
336C94.3Very high90Very high0 Ų044.1 Ų44.10%022%0.224CC..Hα-helixtrans-67.8-26.6179.1-68.20000112.9P326 D332 R334 N340 I341 I342P326-C336 HydrophobicContact CB-CB 4.11Å; P326-C336 HydrophobicContact CG-CB 3.59Å; P326-C336 WeakPolarHBondContact CG-SG 3.49Å; D332-C336 VanDerWaalsContact O-CB 3.22Å; D332-C336 WeakPolarHBondContact O-CB 3.42Å; D332-C336 PolarHBondContact O-N 2.8Å; D332-C336 PolarHBondContact O-SG 3.14Å; D332-C336 VanDerWaalsContact O-SG 3.33Å; R334-C336 PolarHBondContact O-N 2.93Å; C336-N340 PolarHBondContact O-N 3.5Å; C336-I341 HydrophobicContact CB-CB 4.11Å; C336-I341 HydrophobicContact CB-CD1 4.48Å; C336-I341 HydrophobicContact CB-CG2 4.42Å; C336-I341 WeakPolarHBondContact O-CB 3.12Å; C336-I341 PolarHBondContact O-N 3.16Å; C336-I342 HydrophobicContact CB-CD1 4.31Å; C336-I342 HydrophobicContact CB-CG1 3.83Å; C336-I342 PolarHBondContact O-N 3.03Å; C336-I342 VanDerWaalsContact O-N 3.16Å
337T90.9Very high89.4Confident24 Ų2449.9 Ų49.915%0.14726%0.26CS..Hα-helixtrans-71.3-45.8171.6-56.90000111.4Y333 R334 V335 Y339 N340 R344Y333-T337 VanDerWaalsContact O-CB 3.29Å; Y333-T337 WeakPolarHBondContact O-CB 3.48Å; Y333-T337 PolarHBondContact O-N 3.26Å; Y333-T337 PolarHBondContact O-OG1 3.45Å; R334-T337 WeakPolarHBondContact O-CB 3.39Å; R334-T337 PolarHBondContact O-N 3.06Å; R334-T337 VanDerWaalsContact O-N 3.15Å; V335-T337 VanDerWaalsContact C-N 3.25Å; V335-T337 PolarHBondContact O-N 3.24Å; T337-Y339 VanDerWaalsContact C-N 3.25Å; T337-Y339 PolarHBondContact O-N 3.38Å; T337-N340 PolarHBondContact O-N 3.11Å; T337-R344 HydrophobicContact CG2-CG 3.97Å
338E91.5Very high88.9Confident103 Ų10352.4 Ų52.448%0.48128%0.276SS..Hα-helixtrans-60.7-34.4178.5-73.6173-164.700112.5R334 V335 N340R334-E338 VanDerWaalsContact CG-OE1 3.26Å; R334-E338 WeakPolarHBondContact CG-OE1 3.33Å; R334-E338 IonicContact NH1-OE1 2.59Å; R334-E338 PolarHBondContact NH1-OE1 3.46Å; R334-E338 IonicContact NH1-OE2 2.8Å; R334-E338 WeakPolarHBondContact O-CG 3.36Å; R334-E338 PolarHBondContact O-N 3.36Å; V335-E338 PolarHBondContact O-N 2.65Å; E338-N340 VanDerWaalsContact C-N 3.3Å
339Y93.1Very high88.4Confident57 Ų5753.1 Ų53.122%0.22428%0.28CS..THydrogen-bonded Turntrans-86.46.2176-79.9-97.6000114.1V308 T309 V335 T337 I341V308-Y339 HydrophobicContact CB-CD1 4.1Å; V308-Y339 HydrophobicContact CB-CD2 4.05Å; V308-Y339 HydrophobicContact CB-CE1 4.05Å; V308-Y339 HydrophobicContact CB-CE2 4Å; V308-Y339 HydrophobicContact CB-CG 4.1Å; V308-Y339 HydrophobicContact CG1-CD1 3.64Å; V308-Y339 HydrophobicContact CG1-CD2 4.1Å; V308-Y339 HydrophobicContact CG1-CE1 4.04Å; V308-Y339 HydrophobicContact CG1-CE2 4.47Å; V308-Y339 HydrophobicContact CG1-CG 3.66Å; T309-Y339 PolarHBondContact N-OH 3.04Å; T309-Y339 PolarHBondContact O-OH 3.09Å; T309-Y339 PolarHBondContact OG1-OH 3.11Å; V335-Y339 HydrophobicContact CG1-CD2 4.02Å; V335-Y339 HydrophobicContact CG1-CE2 4.2Å; V335-Y339 VanDerWaalsContact O-CD2 3.31Å; V335-Y339 WeakPolarHBondContact O-CD2 3.37Å; V335-Y339 PolarHBondContact O-N 3.08Å; T337-Y339 VanDerWaalsContact C-N 3.25Å; T337-Y339 PolarHBondContact O-N 3.38Å; Y339-I341 PolarHBondContact O-N 3.36Å; Y339-I341 VanDerWaalsContact O-N 3.17Å
340N91.8Very high88.4Confident117 Ų11753.6 Ų53.663%0.62628%0.281SS*.THydrogen-bonded Turntrans57.422.2-178-56.6-67.1000114.9C336 T337 E338 I342C336-N340 PolarHBondContact O-N 3.5Å; T337-N340 PolarHBondContact O-N 3.11Å; E338-N340 VanDerWaalsContact C-N 3.3Å; N340-I342 VanDerWaalsContact C-N 3.33Å
341I93.1Very high88.6Confident3 Ų350.4 Ų50.42%0.01526%0.255CS..SBendtrans-71.7-36173.5-64.3164.1000109.8L234 A235 A304 V308 C336 Y339L234-I341 HydrophobicContact CB-CG2 4.14Å; A235-I341 HydrophobicContact CB-CD1 3.86Å; A304-I341 HydrophobicContact CB-CG2 4Å; V308-I341 HydrophobicContact CG1-CD1 3.76Å; C336-I341 HydrophobicContact CB-CB 4.11Å; C336-I341 HydrophobicContact CB-CD1 4.48Å; C336-I341 HydrophobicContact CB-CG2 4.42Å; C336-I341 WeakPolarHBondContact O-CB 3.12Å; C336-I341 PolarHBondContact O-N 3.16Å; Y339-I341 PolarHBondContact O-N 3.36Å; Y339-I341 VanDerWaalsContact O-N 3.17Å
342I91.7Very high88.6Confident1 Ų147.4 Ų47.41%0.00524%0.239CC..SBendtrans-126157.5170.561.7160.5000110.3L234 P326 Y327 Y333 C336 N340 Q346L234-I342 HydrophobicContact CD1-CG2 4.02Å; P326-I342 HydrophobicContact CB-CD1 3.63Å; P326-I342 HydrophobicContact CB-CG1 4.45Å; P326-I342 HydrophobicContact CB-CG2 4.43Å; P326-I342 HydrophobicContact CG-CD1 4.49Å; P326-I342 HydrophobicContact CG-CG2 4.41Å; Y327-I342 HydrophobicContact CE2-CD1 4.47Å; Y327-I342 HydrophobicContact CE2-CG2 4.14Å; Y333-I342 HydrophobicContact CD2-CD1 3.48Å; Y333-I342 VanDerWaalsContact CD2-CD1 3.48Å; Y333-I342 HydrophobicContact CE2-CD1 3.54Å; Y333-I342 HydrophobicContact CG-CD1 4.15Å; C336-I342 HydrophobicContact CB-CD1 4.31Å; C336-I342 HydrophobicContact CB-CG1 3.83Å; C336-I342 PolarHBondContact O-N 3.03Å; C336-I342 VanDerWaalsContact O-N 3.16Å; N340-I342 VanDerWaalsContact C-N 3.33Å; I342-Q346 VanDerWaalsContact CA-NE2 3.31Å
343Q85.7Confident88.4Confident99 Ų9949.2 Ų49.246%0.46325%0.249SC..  trans-116.1155.1175.9-64.9177.4-10.700110.2D345 Q346Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 3.33Å; Q343-Q346 HydrophobicContact CB-CB 4.26Å; Q343-Q346 HydrophobicContact CB-CG 4.3Å; Q343-Q346 WeakPolarHBondContact O-CG 3.44Å
344R80Confident88Confident79 Ų7949.7 Ų49.730%0.29826%0.26SS..SBendtrans-70.8-27.6-176.6-69.3-172.4-177.4177.65.9113Y173 G175 T337 E420 D454Y173-R344 HydrophobicContact CE2-CB 4.32Å; G175-R344 WeakPolarHBondContact CA-O 3.37Å; T337-R344 HydrophobicContact CG2-CG 3.97Å; R344-E420 IonicContact CZ-OE2 2.93Å; R344-E420 IonicContact NH1-OE1 2.78Å; R344-E420 IonicContact NH1-OE2 2.68Å; R344-E420 PolarHBondContact NH1-OE2 3.41Å; R344-E420 IonicContact NH2-OE1 3.15Å; R344-E420 IonicContact NH2-OE2 3.59Å; R344-E420 PolarHBondContact NH2-OE2 2.85Å; R344-D454 IonicContact NH1-OD2 2.86Å; R344-D454 PolarHBondContact NH1-OD2 2.81Å
345D71.2Confident87.7Confident121 Ų12149.2 Ų49.265%0.64727%0.266SS*.SBendtrans-106.61.2-172.958.9-20.5000114.1Q343Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 3.33Å
346Q77.8Confident87.5Confident31 Ų3149.2 Ų49.215%0.14527%0.266CS..SBendtrans-79.9162.2175.477.3179.5-6.700112.7K302 Y327 I342 Q343 P348K302-Q346 VanDerWaalsContact NZ-OE1 3.17Å; Y327-Q346 PolarHBondContact OH-NE2 2.96Å; I342-Q346 VanDerWaalsContact CA-NE2 3.31Å; Q343-Q346 HydrophobicContact CB-CB 4.26Å; Q343-Q346 HydrophobicContact CB-CG 4.3Å; Q343-Q346 WeakPolarHBondContact O-CG 3.44Å; Q346-P348 WeakPolarHBondContact O-CD 3.47Å
347T79.1Confident87.5Confident123 Ų12350.5 Ų50.576%0.75528%0.275SS*.PPolyproline II helixtrans-55.5125.5170.3-49.50000111.1I349T347-I349 PolarHBondContact O-N 2.87Å
348P83.7Confident87.8Confident56 Ų5649.5 Ų49.536%0.36427%0.269SS..PPolyproline II helixtrans-62.3133.4-178-25.635.9000113.1V176 Y327 Q346 C350V176-P348 HydrophobicContact CG1-CB 4.04Å; V176-P348 HydrophobicContact CG1-CG 3.42Å; V176-P348 VanDerWaalsContact CG1-CG 3.42Å; Y327-P348 HydrophobicContact CD1-CB 3.94Å; Y327-P348 HydrophobicContact CE1-CB 3.63Å; Y327-P348 HydrophobicContact CE1-CG 4.47Å; Q346-P348 WeakPolarHBondContact O-CD 3.47Å; P348-C350 VanDerWaalsContact C-N 3.31Å; P348-C350 HydrophobicContact CB-CB 4.47Å; P348-C350 PolarHBondContact O-N 2.77Å
349I85.8Confident87.9Confident30 Ų3046.4 Ų46.415%0.15426%0.257CS..  trans-91.270.6173.3-50.9171.9000108.2L234 F296 Y327 T347L234-I349 HydrophobicContact CD1-CD1 4.13Å; F296-I349 HydrophobicContact CD1-CG2 3.56Å; F296-I349 HydrophobicContact CD2-CG2 4.29Å; F296-I349 HydrophobicContact CE1-CG2 3.46Å; F296-I349 VanDerWaalsContact CE1-CG2 3.46Å; F296-I349 HydrophobicContact CE2-CG2 4.2Å; F296-I349 HydrophobicContact CG-CG2 4Å; F296-I349 HydrophobicContact CZ-CG2 3.81Å; Y327-I349 HydrophobicContact CD2-CB 3.89Å; Y327-I349 WeakPolarHBondContact CD2-O 3.31Å; Y327-I349 HydrophobicContact CE2-CB 3.61Å; Y327-I349 HydrophobicContact CE2-CG1 4.08Å; Y327-I349 VanDerWaalsContact CE2-N 3.28Å; Y327-I349 VanDerWaalsContact CZ-N 3.35Å; T347-I349 PolarHBondContact O-N 2.87Å
350C90.7Very high87.9Confident24 Ų2448.3 Ų48.316%0.16228%0.279CS..  trans-125.782.4-176.5-179.20000109.5Y327 P348 V352Y327-C350 HydrophobicContact CG-CB 4.32Å; P348-C350 VanDerWaalsContact C-N 3.31Å; P348-C350 HydrophobicContact CB-CB 4.47Å; P348-C350 PolarHBondContact O-N 2.77Å; C350-V352 PolarHBondContact O-N 2.86Å
351P93.4Very high87.9Confident1 Ų147.4 Ų47.41%0.00627%0.271CS..  trans-79.542.6-171.436.3-40.4000113.1S232 F296 F358 T359 E361 V362S232-P351 WeakPolarHBondContact OG-CD 3.21Å; S232-P351 WeakPolarHBondContact OG-CG 3.28Å; F296-P351 HydrophobicContact CE2-CG 4.1Å; F296-P351 HydrophobicContact CZ-CB 4Å; F296-P351 HydrophobicContact CZ-CG 3.8Å; P351-F358 WeakPolarHBondContact O-CA 3.34Å; P351-F358 WeakPolarHBondContact O-CD1 3.25Å; P351-T359 VanDerWaalsContact C-OG1 3.24Å; P351-T359 WeakPolarHBondContact CA-OG1 3.49Å; P351-T359 WeakPolarHBondContact CB-OG1 3.39Å; P351-T359 PolarHBondContact O-N 3.44Å; P351-T359 PolarHBondContact O-OG1 3.07Å; P351-E361 HydrophobicContact CB-CB 4.27Å; P351-V362 HydrophobicContact CB-CG2 3.63Å; P351-V362 HydrophobicContact CG-CG2 3.66Å
352V93.4Very high88Confident4 Ų447.3 Ų47.32%0.02427%0.27CS..BIsolated β-bridgetrans-135.4126.6-179.9179.60000107.7F328 C350 C357 F358 V370 I408 K410F328-V352 HydrophobicContact CE1-CB 4.14Å; F328-V352 HydrophobicContact CE1-CG2 3.84Å; F328-V352 HydrophobicContact CZ-CB 4.25Å; F328-V352 HydrophobicContact CZ-CG2 3.71Å; C350-V352 PolarHBondContact O-N 2.86Å; V352-C357 CarbonylContact C-O 3.59Å; V352-C357 VanDerWaalsContact CA-O 3.32Å; V352-C357 WeakPolarHBondContact CA-O 3.43Å; V352-F358 HydrophobicContact CG2-CD1 4.1Å; V352-F358 HydrophobicContact CG2-CE1 4.13Å; V352-V370 HydrophobicContact CG1-CG1 3.99Å; V352-V370 HydrophobicContact CG2-CG1 3.83Å; V352-I408 HydrophobicContact CG1-CD1 4.32Å; V352-K410 WeakPolarHBondContact O-CE 3.37Å; V352-K410 PolarHBondContact O-NZ 3.07Å
353D89.6Confident88.1Confident62 Ų6251.7 Ų51.733%0.33230%0.297SS..  trans-77.4-174.8179.670.616.5000112.6S355 G356 C357 T359 K410D353-S355 VanDerWaalsContact C-N 3.29Å; D353-S355 PolarHBondContact O-N 2.85Å; D353-S355 WeakPolarHBondContact OD1-CA 3.22Å; D353-S355 WeakPolarHBondContact OD1-CB 3.07Å; D353-S355 PolarHBondContact OD1-N 2.96Å; D353-G356 PolarHBondContact O-N 2.88Å; D353-G356 PolarHBondContact OD1-N 2.75Å; D353-C357 PolarHBondContact N-O 3.12Å; D353-C357 PolarHBondContact OD1-N 3.42Å; D353-T359 HydrophobicContact CB-CG2 4.26Å; D353-K410 WeakPolarHBondContact O-CE 3.41Å
354A85.3Confident88.5Confident44 Ų4450.9 Ų50.936%0.36430%0.296SS..THydrogen-bonded Turntrans-67.6-28.9178.800000113F181 N186 G356F181-A354 WeakPolarHBondContact CE1-O 2.94Å; F181-A354 HydrophobicContact CZ-CB 4.34Å; N186-A354 HydrophobicContact CB-CB 4.2Å; N186-A354 VanDerWaalsContact OD1-C 3.25Å; N186-A354 PolarHBondContact OD1-O 2.8Å; A354-G356 PolarHBondContact O-N 2.93Å
355S85.4Confident89.2Confident55 Ų5547.5 Ų47.539%0.38528%0.283SS..THydrogen-bonded Turntrans-79.7-2178.4-56.50000112.7N186 D353N186-S355 WeakPolarHBondContact OD1-CA 3.49Å; N186-S355 PolarHBondContact OD1-N 2.78Å; D353-S355 VanDerWaalsContact C-N 3.29Å; D353-S355 PolarHBondContact O-N 2.85Å; D353-S355 WeakPolarHBondContact OD1-CA 3.22Å; D353-S355 WeakPolarHBondContact OD1-CB 3.07Å; D353-S355 PolarHBondContact OD1-N 2.96Å
356G90.5Very high90.4Very high0 Ų044.1 Ų44.10%027%0.272CS..SBendtrans77.822.6-177.100000113.4D353 A354 Y369 V370D353-G356 PolarHBondContact O-N 2.88Å; D353-G356 PolarHBondContact OD1-N 2.75Å; A354-G356 PolarHBondContact O-N 2.93Å; G356-Y369 WeakPolarHBondContact O-CA 3.44Å; G356-Y369 WeakPolarHBondContact O-CD2 3.43Å; G356-V370 WeakPolarHBondContact O-CG1 3.39Å; G356-V370 PolarHBondContact O-N 2.78Å
357C93.8Very high91.1Very high26 Ų2645.4 Ų45.418%0.17629%0.294CS..BIsolated β-bridgetrans-99.4147176.1-66.30000111.2V352 D353 Q368V352-C357 CarbonylContact C-O 3.59Å; V352-C357 VanDerWaalsContact CA-O 3.32Å; V352-C357 WeakPolarHBondContact CA-O 3.43Å; D353-C357 PolarHBondContact N-O 3.12Å; D353-C357 PolarHBondContact OD1-N 3.42Å; C357-Q368 CarbonylContact C-O 3.34Å; C357-Q368 VanDerWaalsContact CA-O 3.27Å; C357-Q368 WeakPolarHBondContact CA-O 3.39Å
358F96.6Very high91.9Very high4 Ų442.6 Ų42.62%0.01827%0.272CS..BIsolated β-bridgetrans-66137.4175.5-78.3-69.5000112.1W228 P231 P351 V352 V362 F365 G367 Q368 V370 A373 I377W228-F358 HydrophobicContact CB-CZ 4.25Å; W228-F358 WeakPolarHBondContact O-CZ 3.32Å; P231-F358 HydrophobicContact CG-CE1 4.47Å; P231-F358 HydrophobicContact CG-CZ 4.35Å; P351-F358 WeakPolarHBondContact O-CA 3.34Å; P351-F358 WeakPolarHBondContact O-CD1 3.25Å; V352-F358 HydrophobicContact CG2-CD1 4.1Å; V352-F358 HydrophobicContact CG2-CE1 4.13Å; F358-V362 HydrophobicContact CB-CB 4.3Å; F358-V362 HydrophobicContact CB-CG1 4.49Å; F358-V362 HydrophobicContact CD1-CB 3.87Å; F358-V362 HydrophobicContact CD1-CG1 3.82Å; F358-V362 HydrophobicContact CD1-CG2 3.94Å; F358-V362 HydrophobicContact CE1-CG1 4.18Å; F358-V362 HydrophobicContact CE1-CG2 4.35Å; F358-V362 HydrophobicContact CG-CB 4.28Å; F358-V362 HydrophobicContact CG-CG1 4.1Å; F358-F365 WeakPolarHBondContact CB-O 3.31Å; F358-F365 HydrophobicContact CD2-CB 3.7Å; F358-F365 HydrophobicContact CE2-CB 4.17Å; F358-F365 HydrophobicContact CG-CB 4.27Å; F358-G367 PolarHBondContact O-N 3.04Å; F358-Q368 PolarHBondContact N-O 2.79Å; F358-V370 HydrophobicContact CD2-CG1 4.49Å; F358-V370 HydrophobicContact CE1-CG1 4.46Å; F358-V370 HydrophobicContact CE2-CG1 4.1Å; F358-V370 HydrophobicContact CZ-CG1 4.09Å; F358-A373 HydrophobicContact CD2-CB 4.07Å; F358-A373 HydrophobicContact CE2-CB 3.57Å; F358-I377 HydrophobicContact CE2-CD1 4.37Å; F358-I377 HydrophobicContact CZ-CD1 4.34Å
359T93.8Very high92.4Very high37 Ų3742.3 Ų42.323%0.22726%0.264CS..  trans-82.5178.5175.459.20000111.8P351 D353 E361 V362P351-T359 VanDerWaalsContact C-OG1 3.24Å; P351-T359 WeakPolarHBondContact CA-OG1 3.49Å; P351-T359 WeakPolarHBondContact CB-OG1 3.39Å; P351-T359 PolarHBondContact O-N 3.44Å; P351-T359 PolarHBondContact O-OG1 3.07Å; D353-T359 HydrophobicContact CB-CG2 4.26Å; T359-E361 WeakPolarHBondContact CB-OE2 3.39Å; T359-E361 PolarHBondContact O-N 3.06Å; T359-E361 PolarHBondContact OG1-OE2 2.85Å; T359-V362 PolarHBondContact O-N 2.9Å
360S93.4Very high92.8Very high98 Ų9840.9 Ų40.969%0.68526%0.257SS*.THydrogen-bonded Turntrans-65.8-18.2-174.454.10000114.3V362S360-V362 VanDerWaalsContact C-N 3.28Å; S360-V362 PolarHBondContact O-N 3Å
361E92.6Very high92.9Very high98 Ų9841.3 Ų41.346%0.45826%0.256SS..THydrogen-bonded Turntrans-64.4-30.4175.3-62.197.4131.800113.1F296 P351 T359 T363F296-E361 HydrophobicContact CE1-CB 4.28Å; F296-E361 HydrophobicContact CZ-CB 4.26Å; P351-E361 HydrophobicContact CB-CB 4.27Å; T359-E361 WeakPolarHBondContact CB-OE2 3.39Å; T359-E361 PolarHBondContact O-N 3.06Å; T359-E361 PolarHBondContact OG1-OE2 2.85Å; E361-T363 PolarHBondContact O-N 2.86Å
362V94.7Very high92.9Very high0 Ų046.5 Ų46.50%028%0.284CS..SBendtrans-99.377.6177.6177.90000108.5P231 Y295 P351 F358 T359 S360 D364 F365 A366P231-V362 HydrophobicContact CB-CG1 4.13Å; P231-V362 HydrophobicContact CB-CG2 4.18Å; P231-V362 HydrophobicContact CG-CG1 4.45Å; Y295-V362 HydrophobicContact CD2-CB 4.48Å; Y295-V362 HydrophobicContact CD2-CG1 4.27Å; Y295-V362 HydrophobicContact CD2-CG2 4.12Å; Y295-V362 HydrophobicContact CE2-CB 4.35Å; Y295-V362 HydrophobicContact CE2-CG1 3.73Å; Y295-V362 HydrophobicContact CE2-CG2 4.4Å; P351-V362 HydrophobicContact CB-CG2 3.63Å; P351-V362 HydrophobicContact CG-CG2 3.66Å; F358-V362 HydrophobicContact CB-CB 4.3Å; F358-V362 HydrophobicContact CB-CG1 4.49Å; F358-V362 HydrophobicContact CD1-CB 3.87Å; F358-V362 HydrophobicContact CD1-CG1 3.82Å; F358-V362 HydrophobicContact CD1-CG2 3.94Å; F358-V362 HydrophobicContact CE1-CG1 4.18Å; F358-V362 HydrophobicContact CE1-CG2 4.35Å; F358-V362 HydrophobicContact CG-CB 4.28Å; F358-V362 HydrophobicContact CG-CG1 4.1Å; T359-V362 PolarHBondContact O-N 2.9Å; S360-V362 VanDerWaalsContact C-N 3.28Å; S360-V362 PolarHBondContact O-N 3Å; V362-D364 VanDerWaalsContact C-N 3.34Å; V362-D364 PolarHBondContact O-N 3.34Å; V362-F365 HydrophobicContact CG1-CB 4.15Å; V362-F365 HydrophobicContact CG1-CD2 3.73Å; V362-F365 HydrophobicContact CG1-CG 4.44Å; V362-F365 PolarHBondContact O-N 2.82Å; V362-F365 VanDerWaalsContact O-N 3.17Å; V362-A366 PolarHBondContact O-N 3.14Å
363T93.5Very high93Very high94 Ų9446.3 Ų46.358%0.57728%0.282SS*.G310 helixtrans-58.9-38.2-166.556.10000114.3Y295 E361 F365Y295-T363 WeakPolarHBondContact CE1-OG1 3.26Å; E361-T363 PolarHBondContact O-N 2.86Å; T363-F365 PolarHBondContact O-N 3.18Å
364D94.1Very high93.3Very high82 Ų8243.6 Ų43.644%0.43927%0.268SS..G310 helixtrans-71.1-19.2-175.5-57.9-22.3000112.6Y295 V362Y295-D364 WeakPolarHBondContact OH-CB 3.34Å; Y295-D364 PolarHBondContact OH-N 2.97Å; Y295-D364 PolarHBondContact OH-OD2 3.38Å; V362-D364 VanDerWaalsContact C-N 3.34Å; V362-D364 PolarHBondContact O-N 3.34Å
365F95.8Very high93.7Very high8 Ų849.6 Ų49.64%0.03529%0.286CS..G310 helixtrans-12910.9-174.5-47.2-63.9000113.6F293 F358 V362 T363 G367 Q368 A373 N376 I377 L380F293-F365 AromaticContact CE1-CE2 3.95Å; F293-F365 HydrophobicContact CE1-CE2 3.95Å; F293-F365 HydrophobicContact CE1-CZ 4.49Å; F293-F365 HydrophobicContact CZ-CE2 4.4Å; F358-F365 WeakPolarHBondContact CB-O 3.31Å; F358-F365 HydrophobicContact CD2-CB 3.7Å; F358-F365 HydrophobicContact CE2-CB 4.17Å; F358-F365 HydrophobicContact CG-CB 4.27Å; V362-F365 HydrophobicContact CG1-CB 4.15Å; V362-F365 HydrophobicContact CG1-CD2 3.73Å; V362-F365 HydrophobicContact CG1-CG 4.44Å; V362-F365 PolarHBondContact O-N 2.82Å; V362-F365 VanDerWaalsContact O-N 3.17Å; T363-F365 PolarHBondContact O-N 3.18Å; F365-G367 PolarHBondContact O-N 3.32Å; F365-Q368 VanDerWaalsContact O-CB 3.27Å; F365-Q368 WeakPolarHBondContact O-CB 3.26Å; F365-Q368 WeakPolarHBondContact O-CG 3.38Å; F365-Q368 PolarHBondContact O-N 2.84Å; F365-A373 HydrophobicContact CB-CB 4.47Å; F365-N376 HydrophobicContact CD1-CB 4.07Å; F365-N376 HydrophobicContact CE1-CB 3.74Å; F365-I377 HydrophobicContact CD1-CG1 4.38Å; F365-I377 HydrophobicContact CD2-CD1 4.34Å; F365-I377 HydrophobicContact CD2-CG1 3.9Å; F365-I377 HydrophobicContact CE1-CG1 3.97Å; F365-I377 HydrophobicContact CE2-CD1 4.27Å; F365-I377 HydrophobicContact CE2-CG1 3.43Å; F365-I377 VanDerWaalsContact CE2-CG1 3.43Å; F365-I377 HydrophobicContact CG-CG1 4.36Å; F365-I377 HydrophobicContact CZ-CB 4.29Å; F365-I377 HydrophobicContact CZ-CG1 3.47Å; F365-I377 VanDerWaalsContact CZ-CG1 3.47Å; F365-L380 HydrophobicContact CE2-CD2 4.41Å; F365-L380 HydrophobicContact CZ-CB 4.49Å; F365-L380 HydrophobicContact CZ-CD2 3.79Å
366A95.4Very high94.2Very high50 Ų5050.3 Ų50.341%0.41329%0.285SS..THydrogen-bonded Turntrans-52.8132.5-176.100000112V362 Q368V362-A366 PolarHBondContact O-N 3.14Å; A366-Q368 VanDerWaalsContact C-N 3.26Å; A366-Q368 PolarHBondContact O-N 2.95Å
367G92.8Very high94.5Very high58 Ų5850.3 Ų50.360%0.59829%0.285SS*.THydrogen-bonded Turntrans77.9-5.4-177.400000115.6F358 F365F358-G367 PolarHBondContact O-N 3.04Å; F365-G367 PolarHBondContact O-N 3.32Å
368Q95.9Very high94.6Very high63 Ų6350.8 Ų50.829%0.29429%0.285SS..  trans-84.6139.9176.8-60.6-179.932.100111.3C357 F358 F365 A366 A373 N376C357-Q368 CarbonylContact C-O 3.34Å; C357-Q368 VanDerWaalsContact CA-O 3.27Å; C357-Q368 WeakPolarHBondContact CA-O 3.39Å; F358-Q368 PolarHBondContact N-O 2.79Å; F365-Q368 VanDerWaalsContact O-CB 3.27Å; F365-Q368 WeakPolarHBondContact O-CB 3.26Å; F365-Q368 WeakPolarHBondContact O-CG 3.38Å; F365-Q368 PolarHBondContact O-N 2.84Å; A366-Q368 VanDerWaalsContact C-N 3.26Å; A366-Q368 PolarHBondContact O-N 2.95Å; Q368-A373 HydrophobicContact CB-CB 4.35Å; Q368-N376 PolarHBondContact OE1-ND2 2.83Å
369Y94.6Very high94.6Very high50 Ų5056.6 Ų56.620%0.19631%0.311CS..BIsolated β-bridgetrans-64.2136.8171.1-177.6-118.4000110.7T183 G356 K371 D372 A373T183-Y369 HydrophobicContact CG2-CE2 4.05Å; T183-Y369 WeakPolarHBondContact OG1-CE2 3.47Å; T183-Y369 PolarHBondContact OG1-OH 2.7Å; G356-Y369 WeakPolarHBondContact O-CA 3.44Å; G356-Y369 WeakPolarHBondContact O-CD2 3.43Å; Y369-K371 VanDerWaalsContact C-N 3.33Å; Y369-K371 HydrophobicContact CD1-CB 4.03Å; Y369-K371 HydrophobicContact CE1-CB 3.73Å; Y369-K371 HydrophobicContact CE1-CG 4.11Å; Y369-K371 PolarHBondContact O-N 2.85Å; Y369-D372 PolarHBondContact O-N 3.26Å; Y369-A373 PolarHBondContact O-N 3.3Å
370V94.7Very high94.7Very high0 Ų056.4 Ų56.40%031%0.308CS..Hα-helixtrans-54.7-41.2-170.1-73.60000114.2W228 V352 G356 F358 A373 D374 I408W228-V370 HydrophobicContact CB-CB 3.98Å; W228-V370 VanDerWaalsContact CB-O 3.27Å; W228-V370 WeakPolarHBondContact CB-O 3.3Å; W228-V370 HydrophobicContact CD2-CB 3.8Å; W228-V370 HydrophobicContact CD2-CG1 4.17Å; W228-V370 HydrophobicContact CD2-CG2 4.3Å; W228-V370 HydrophobicContact CE3-CB 3.79Å; W228-V370 HydrophobicContact CE3-CG1 3.62Å; W228-V370 HydrophobicContact CE3-CG2 4.39Å; W228-V370 HydrophobicContact CG-CB 3.9Å; W228-V370 HydrophobicContact CZ3-CG1 4.17Å; V352-V370 HydrophobicContact CG1-CG1 3.99Å; V352-V370 HydrophobicContact CG2-CG1 3.83Å; G356-V370 WeakPolarHBondContact O-CG1 3.39Å; G356-V370 PolarHBondContact O-N 2.78Å; F358-V370 HydrophobicContact CD2-CG1 4.49Å; F358-V370 HydrophobicContact CE1-CG1 4.46Å; F358-V370 HydrophobicContact CE2-CG1 4.1Å; F358-V370 HydrophobicContact CZ-CG1 4.09Å; V370-A373 PolarHBondContact O-N 2.94Å; V370-D374 PolarHBondContact O-N 3.25Å; V370-I408 HydrophobicContact CG2-CG2 4.15Å
371K91.6Very high94.8Very high34 Ų3451.8 Ų51.815%0.14828%0.276CS..Hα-helixtrans-73.2-29.4179.1-73.2-69-169171.80113D203 Y369 A373D203-K371 IonicContact OD1-NZ 2.84Å; D203-K371 PolarHBondContact OD1-NZ 3.31Å; D203-K371 IonicContact OD2-NZ 3.74Å; Y369-K371 VanDerWaalsContact C-N 3.33Å; Y369-K371 HydrophobicContact CD1-CB 4.03Å; Y369-K371 HydrophobicContact CE1-CB 3.73Å; Y369-K371 HydrophobicContact CE1-CG 4.11Å; Y369-K371 PolarHBondContact O-N 2.85Å; K371-A373 VanDerWaalsContact C-N 3.34Å
372D93.2Very high94.9Very high110 Ų11054.4 Ų54.459%0.58829%0.286SS*.Hα-helixtrans-72.7-34.4174.9-65.6-28.6000110.9Y369 D374Y369-D372 PolarHBondContact O-N 3.26Å; D372-D374 VanDerWaalsContact C-N 3.28Å; D372-D374 PolarHBondContact O-N 3.4Å
373A95.6Very high95Very high0 Ų060.6 Ų60.60%032%0.315CS..Hα-helixtrans-68.2-21.8177.700000113.7F358 F365 Q368 Y369 V370 K371 K375 N376 I377F358-A373 HydrophobicContact CD2-CB 4.07Å; F358-A373 HydrophobicContact CE2-CB 3.57Å; F365-A373 HydrophobicContact CB-CB 4.47Å; Q368-A373 HydrophobicContact CB-CB 4.35Å; Y369-A373 PolarHBondContact O-N 3.3Å; V370-A373 PolarHBondContact O-N 2.94Å; K371-A373 VanDerWaalsContact C-N 3.34Å; A373-K375 VanDerWaalsContact C-N 3.27Å; A373-K375 PolarHBondContact O-N 3.42Å; A373-N376 PolarHBondContact O-N 3.48Å; A373-I377 HydrophobicContact CB-CD1 4.2Å; A373-I377 WeakPolarHBondContact O-CG1 3.38Å; A373-I377 PolarHBondContact O-N 3.1Å
374D95.3Very high94.9Very high5 Ų560.5 Ų60.53%0.02731%0.306CS..Hα-helixtrans-50.8-45.7179.3-82-35.4000111.8P204 P227 W228 V370 D372 N376 I377 I378P204-D374 HydrophobicContact CG-CB 4.33Å; P227-D374 HydrophobicContact CB-CB 4.47Å; P227-D374 WeakPolarHBondContact CB-OD1 3.44Å; P227-D374 VanDerWaalsContact CD-OD1 3.25Å; P227-D374 WeakPolarHBondContact CD-OD1 3.18Å; P227-D374 HydrophobicContact CG-CB 4.39Å; W228-D374 WeakPolarHBondContact CB-OD1 3.35Å; W228-D374 PolarHBondContact N-OD1 2.94Å; V370-D374 PolarHBondContact O-N 3.25Å; D372-D374 VanDerWaalsContact C-N 3.28Å; D372-D374 PolarHBondContact O-N 3.4Å; D374-N376 VanDerWaalsContact C-N 3.35Å; D374-N376 PolarHBondContact O-N 3.05Å; D374-I377 PolarHBondContact O-N 3.04Å; D374-I378 WeakPolarHBondContact O-CD1 3.42Å; D374-I378 WeakPolarHBondContact O-CG1 3.46Å; D374-I378 PolarHBondContact O-N 3.11Å
375K94.9Very high94.8Very high170 Ų17058.1 Ų58.174%0.73930%0.301SS*.Hα-helixtrans-63.4-40.2179-66.4176.3-176.4170.30112.2A373 K379A373-K375 VanDerWaalsContact C-N 3.27Å; A373-K375 PolarHBondContact O-N 3.42Å; K375-K379 WeakPolarHBondContact O-CB 3.49Å; K375-K379 PolarHBondContact O-N 3.07Å; K375-K379 VanDerWaalsContact O-N 3.07Å
376N96.1Very high94.8Very high70 Ų7059.4 Ų59.437%0.37431%0.306SS..Hα-helixtrans-72.7-38.3-178.8-65.8-25.4000111.3F365 Q368 A373 D374 K379 L380F365-N376 HydrophobicContact CD1-CB 4.07Å; F365-N376 HydrophobicContact CE1-CB 3.74Å; Q368-N376 PolarHBondContact OE1-ND2 2.83Å; A373-N376 PolarHBondContact O-N 3.48Å; D374-N376 VanDerWaalsContact C-N 3.35Å; D374-N376 PolarHBondContact O-N 3.05Å; N376-K379 PolarHBondContact O-N 2.95Å; N376-L380 PolarHBondContact O-N 3.19Å
377I96.7Very high94.8Very high0 Ų058.3 Ų58.30%029%0.293CS..Hα-helixtrans-62.1-48.4174-71.7167.1000110.4P227 W228 P231 F293 F358 F365 A373 D374 K379 L380 L381P227-I377 HydrophobicContact CB-CG2 4.06Å; W228-I377 HydrophobicContact CB-CD1 4.29Å; P231-I377 HydrophobicContact CG-CD1 4.06Å; F293-I377 HydrophobicContact CZ-CG2 4.28Å; F358-I377 HydrophobicContact CE2-CD1 4.37Å; F358-I377 HydrophobicContact CZ-CD1 4.34Å; F365-I377 HydrophobicContact CD1-CG1 4.38Å; F365-I377 HydrophobicContact CD2-CD1 4.34Å; F365-I377 HydrophobicContact CD2-CG1 3.9Å; F365-I377 HydrophobicContact CE1-CG1 3.97Å; F365-I377 HydrophobicContact CE2-CD1 4.27Å; F365-I377 HydrophobicContact CE2-CG1 3.43Å; F365-I377 VanDerWaalsContact CE2-CG1 3.43Å; F365-I377 HydrophobicContact CG-CG1 4.36Å; F365-I377 HydrophobicContact CZ-CB 4.29Å; F365-I377 HydrophobicContact CZ-CG1 3.47Å; F365-I377 VanDerWaalsContact CZ-CG1 3.47Å; A373-I377 HydrophobicContact CB-CD1 4.2Å; A373-I377 WeakPolarHBondContact O-CG1 3.38Å; A373-I377 PolarHBondContact O-N 3.1Å; D374-I377 PolarHBondContact O-N 3.04Å; I377-K379 VanDerWaalsContact C-N 3.3Å; I377-K379 PolarHBondContact O-N 3.31Å; I377-L380 PolarHBondContact O-N 3.16Å; I377-L381 HydrophobicContact CG2-CD1 3.86Å; I377-L381 HydrophobicContact CG2-CG 4.4Å; I377-L381 WeakPolarHBondContact O-CB 3.39Å; I377-L381 VanDerWaalsContact O-CG 3.28Å; I377-L381 WeakPolarHBondContact O-CG 2.99Å; I377-L381 PolarHBondContact O-N 3.02Å
378I96.2Very high94.8Very high35 Ų3557 Ų5718%0.17927%0.273CS..Hα-helixtrans-60-43.2178-66.8168.6000110.7P204 V206 P227 D374 L381 K382 L387P204-I378 HydrophobicContact CB-CD1 3.87Å; P204-I378 HydrophobicContact CG-CD1 4.35Å; V206-I378 HydrophobicContact CG1-CD1 3.93Å; V206-I378 HydrophobicContact CG1-CG1 4.02Å; P227-I378 HydrophobicContact CB-CG1 4.17Å; P227-I378 HydrophobicContact CG-CD1 3.98Å; P227-I378 HydrophobicContact CG-CG1 4.1Å; D374-I378 WeakPolarHBondContact O-CD1 3.42Å; D374-I378 WeakPolarHBondContact O-CG1 3.46Å; D374-I378 PolarHBondContact O-N 3.11Å; I378-L381 PolarHBondContact O-N 3.27Å; I378-K382 WeakPolarHBondContact O-CB 3.29Å; I378-K382 PolarHBondContact O-N 2.89Å; I378-L387 HydrophobicContact CG2-CD2 3.78Å
379K96.1Very high94.7Very high127 Ų12756.9 Ų56.955%0.55228%0.275SS*.Hα-helixtrans-58.7-49.5176.5-176.1-176.3174.1-169.80111.4K375 N376 I377 L381 K382 E383K375-K379 WeakPolarHBondContact O-CB 3.49Å; K375-K379 PolarHBondContact O-N 3.07Å; K375-K379 VanDerWaalsContact O-N 3.07Å; N376-K379 PolarHBondContact O-N 2.95Å; I377-K379 VanDerWaalsContact C-N 3.3Å; I377-K379 PolarHBondContact O-N 3.31Å; K379-L381 PolarHBondContact O-N 3.4Å; K379-K382 WeakPolarHBondContact O-CB 3.45Å; K379-K382 PolarHBondContact O-N 2.91Å; K379-E383 WeakPolarHBondContact CE-OE1 3.38Å; K379-E383 WeakPolarHBondContact O-CG 3.47Å; K379-E383 PolarHBondContact O-N 2.8Å
380L95.8Very high94.7Very high33 Ų3357.4 Ų57.417%0.17329%0.289CS..Hα-helixtrans-63.9-39.7179.7-17663.1000112.3F293 F365 N376 I377 K382 E383 K384F293-L380 HydrophobicContact CE1-CD2 3.88Å; F365-L380 HydrophobicContact CE2-CD2 4.41Å; F365-L380 HydrophobicContact CZ-CB 4.49Å; F365-L380 HydrophobicContact CZ-CD2 3.79Å; N376-L380 PolarHBondContact O-N 3.19Å; I377-L380 PolarHBondContact O-N 3.16Å; L380-K382 VanDerWaalsContact C-N 3.3Å; L380-K382 PolarHBondContact O-N 2.82Å; L380-E383 PolarHBondContact O-N 3.48Å; L380-K384 HydrophobicContact CG-CD 4.42Å; L380-K384 WeakPolarHBondContact O-CB 3.36Å; L380-K384 WeakPolarHBondContact O-CG 3.16Å; L380-K384 PolarHBondContact O-N 2.85Å
381L96Very high94.6Very high0 Ų060.2 Ų60.20%031%0.309CS..Hα-helixtrans-65-34.9175.9-70.4173000112.1V208 L230 L292 F293 I377 I378 K379 G385 R386 L387V208-L381 HydrophobicContact CG1-CD1 3.89Å; L230-L381 HydrophobicContact CD1-CD1 3.67Å; L292-L381 HydrophobicContact CB-CD2 4.33Å; L292-L381 HydrophobicContact CD1-CD2 4.45Å; L292-L381 HydrophobicContact CD2-CD2 3.96Å; L292-L381 HydrophobicContact CG-CD2 4.48Å; F293-L381 HydrophobicContact CE2-CD2 4.36Å; F293-L381 HydrophobicContact CZ-CD2 4.24Å; I377-L381 HydrophobicContact CG2-CD1 3.86Å; I377-L381 HydrophobicContact CG2-CG 4.4Å; I377-L381 WeakPolarHBondContact O-CB 3.39Å; I377-L381 VanDerWaalsContact O-CG 3.28Å; I377-L381 WeakPolarHBondContact O-CG 2.99Å; I377-L381 PolarHBondContact O-N 3.02Å; I378-L381 PolarHBondContact O-N 3.27Å; K379-L381 PolarHBondContact O-N 3.4Å; L381-G385 PolarHBondContact O-N 3.14Å; L381-R386 HydrophobicContact CD2-CB 4.23Å; L381-R386 PolarHBondContact O-N 3.33Å; L381-L387 HydrophobicContact CB-CB 4.29Å; L381-L387 PolarHBondContact O-N 2.92Å
382K95.3Very high94.5Very high154 Ų15463.3 Ų63.367%0.6733%0.331SS*.Hα-helixtrans-67.2-45.6173.2-170.2178.4179.7178.90111.6I378 K379 L380 K384 G385 L387I378-K382 WeakPolarHBondContact O-CB 3.29Å; I378-K382 PolarHBondContact O-N 2.89Å; K379-K382 WeakPolarHBondContact O-CB 3.45Å; K379-K382 PolarHBondContact O-N 2.91Å; L380-K382 VanDerWaalsContact C-N 3.3Å; L380-K382 PolarHBondContact O-N 2.82Å; K382-K384 VanDerWaalsContact C-N 3.29Å; K382-K384 PolarHBondContact O-N 2.74Å; K382-G385 PolarHBondContact O-N 3.27Å; K382-L387 HydrophobicContact CB-CB 4.33Å; K382-L387 HydrophobicContact CB-CD2 3.88Å; K382-L387 HydrophobicContact CG-CD2 4.31Å
383E95.1Very high94.4Very high129 Ų12961.5 Ų61.560%0.60332%0.318SS*.Hα-helixtrans-60.5-37.7176.7-72.4170.8-178.400112K379 L380 G385K379-E383 WeakPolarHBondContact CE-OE1 3.38Å; K379-E383 WeakPolarHBondContact O-CG 3.47Å; K379-E383 PolarHBondContact O-N 2.8Å; L380-E383 PolarHBondContact O-N 3.48Å; E383-G385 PolarHBondContact O-N 3.23Å
384K92.6Very high94.1Very high92 Ų9267.9 Ų67.940%0.435%0.346SS..THydrogen-bonded Turntrans-77.70.9173.9-68.4-177.3178.4179.50114L380 K382 R386L380-K384 HydrophobicContact CG-CD 4.42Å; L380-K384 WeakPolarHBondContact O-CB 3.36Å; L380-K384 WeakPolarHBondContact O-CG 3.16Å; L380-K384 PolarHBondContact O-N 2.85Å; K382-K384 VanDerWaalsContact C-N 3.29Å; K382-K384 PolarHBondContact O-N 2.74Å; K384-R386 HydrophobicContact CB-CG 3.98Å; K384-R386 PolarHBondContact O-N 2.62Å
385G92.1Very high93.9Very high32 Ų3269.8 Ų69.833%0.3335%0.354SS..THydrogen-bonded Turntrans66.917.2-178.600000114.7L381 K382 E383L381-G385 PolarHBondContact O-N 3.14Å; K382-G385 PolarHBondContact O-N 3.27Å; E383-G385 PolarHBondContact O-N 3.23Å
386R94.2Very high93.7Very high35 Ų3565.7 Ų65.713%0.13234%0.34CS..  trans-93.8-18.5-174.7-61.4-60.8-69.6-113.6-19.7114.1S209 P211 K290 L292 L381 K384S209-R386 PolarHBondContact N-O 3.36Å; S209-R386 PolarHBondContact O-NE 2.86Å; S209-R386 PolarHBondContact O-NH2 3.21Å; S209-R386 WeakPolarHBondContact OG-CA 3.39Å; S209-R386 PolarHBondContact OG-O 3.49Å; P211-R386 VanDerWaalsContact CG-NH1 3.32Å; K290-R386 PolarHBondContact O-NH2 2.86Å; L292-R386 HydrophobicContact CD2-CB 4.18Å; L292-R386 HydrophobicContact CD2-CG 4.45Å; L381-R386 HydrophobicContact CD2-CB 4.23Å; L381-R386 PolarHBondContact O-N 3.33Å; K384-R386 HydrophobicContact CB-CG 3.98Å; K384-R386 PolarHBondContact O-N 2.62Å
387L96Very high93.4Very high27 Ų2763.4 Ų63.414%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-77.4118.5175.8-172.867.8000110.4V206 V208 I378 L381 K382 A390V206-L387 HydrophobicContact CB-CD1 3.93Å; V206-L387 HydrophobicContact CG1-CD1 4.01Å; V208-L387 HydrophobicContact CG1-CD1 4.32Å; I378-L387 HydrophobicContact CG2-CD2 3.78Å; L381-L387 HydrophobicContact CB-CB 4.29Å; L381-L387 PolarHBondContact O-N 2.92Å; K382-L387 HydrophobicContact CB-CB 4.33Å; K382-L387 HydrophobicContact CB-CD2 3.88Å; K382-L387 HydrophobicContact CG-CD2 4.31Å; L387-A390 HydrophobicContact CD1-CB 4.36Å; L387-A390 HydrophobicContact CD2-CB 4.06Å; L387-A390 HydrophobicContact CG-CB 4.44Å
388V93.9Very high93.1Very high32 Ų3263.8 Ų63.819%0.19433%0.329CS..EExtended strand (participates in β ladder)trans-92.4-49-179.3179.40000110.7I207 I221 Y256 L266I207-V388 HydrophobicContact CB-CB 4.28Å; I207-V388 HydrophobicContact CG2-CB 4.01Å; I207-V388 HydrophobicContact CG2-CG1 4.31Å; I207-V388 WeakPolarHBondContact O-CB 3.37Å; I207-V388 PolarHBondContact O-N 3.09Å; I221-V388 HydrophobicContact CG2-CG2 4Å; Y256-V388 HydrophobicContact CE1-CG2 4.13Å; Y256-V388 HydrophobicContact CE2-CG1 4.45Å; L266-V388 HydrophobicContact CD1-CG1 3.77Å; L266-V388 HydrophobicContact CD2-CG1 4.1Å
389N93.7Very high92.6Very high60 Ų6063.2 Ų63.232%0.32133%0.325SS..EExtended strand (participates in β ladder)trans-139.2145.2177.2-171.1-85.8000109.7V206 I207 L266V206-N389 WeakPolarHBondContact CA-O 3.37Å; I207-N389 HydrophobicContact CB-CB 3.96Å; I207-N389 HydrophobicContact CD1-CB 4.01Å; I207-N389 HydrophobicContact CG1-CB 4.09Å; I207-N389 PolarHBondContact N-O 3.32Å; I207-N389 PolarHBondContact O-N 3.38Å; L266-N389 HydrophobicContact CD1-CB 4.23Å
390A93.5Very high91.6Very high61 Ų6157.2 Ų57.250%0.50430%0.299SS..EExtended strand (participates in β ladder)trans-136.9124171.700000109.8V206 L387V206-A390 HydrophobicContact CG1-CB 4.23Å; L387-A390 HydrophobicContact CD1-CB 4.36Å; L387-A390 HydrophobicContact CD2-CB 4.06Å; L387-A390 HydrophobicContact CG-CB 4.44Å
391S92.6Very high90.2Very high58 Ų5859.1 Ų59.141%0.40630%0.304SS..EExtended strand (participates in β ladder)trans-141.4-174.3178.3660000110S205S205-S391 WeakPolarHBondContact CB-OG 3.37Å; S205-S391 PolarHBondContact N-O 3.41Å; S205-S391 PolarHBondContact O-N 3.01Å; S205-S391 PolarHBondContact O-OG 3.09Å; S205-S391 PolarHBondContact OG-OG 2.98Å
392T90.7Very high88.5Confident100 Ų10060.6 Ų60.661%0.61331%0.31SS*.EExtended strand (participates in β ladder)trans-114.1148.4168.653.50000109.5D203D203-T392 WeakPolarHBondContact O-CA 3.46Å
393F89.8Confident87.3Confident72 Ų7255.2 Ų55.232%0.31629%0.291SS..EExtended strand (participates in β ladder)trans-126.5127178.8-172.1-107.7000109.8Q202 D203 T225 H395Q202-F393 WeakPolarHBondContact CA-O 3.38Å; D203-F393 PolarHBondContact N-O 3.2Å; D203-F393 PolarHBondContact O-N 3.32Å; T225-F393 HydrophobicContact CG2-CB 4.32Å; T225-F393 HydrophobicContact CG2-CD1 4.01Å; T225-F393 HydrophobicContact CG2-CG 4.42Å; F393-H395 HydrophobicContact CD1-CB 3.88Å; F393-H395 AromaticContact CD1-CG 3.97Å; F393-H395 HydrophobicContact CE1-CB 3.67Å
394K90.9Very high86.4Confident134 Ų13453.4 Ų53.458%0.58329%0.286SS*.EExtended strand (participates in β ladder)trans-94.8119.3177.3-171.2-175.1174.3-164.70109.2D200 V201 Q202D200-K394 WeakPolarHBondContact OD2-CE 3.42Å; D200-K394 IonicContact OD2-NZ 3.5Å; D200-K394 PolarHBondContact OD2-NZ 3.41Å; V201-K394 VanDerWaalsContact O-CA 3.3Å; V201-K394 WeakPolarHBondContact O-CA 3.5Å; Q202-K394 HydrophobicContact CG-CB 4.45Å
395H89.7Confident85.9Confident44 Ų4450.7 Ų50.720%0.20428%0.277CS..EExtended strand (participates in β ladder)trans-149.9170.8178.170.5165.9000111.5D200 V201 D203 F393 Y397D200-H395 WeakPolarHBondContact CA-O 3.32Å; V201-H395 PolarHBondContact N-O 3.21Å; V201-H395 PolarHBondContact O-N 3.37Å; V201-H395 VanDerWaalsContact O-N 3.12Å; D203-H395 IonicContact OD2-CD2 2.7Å; D203-H395 IonicContact OD2-CE1 2.71Å; D203-H395 IonicContact OD2-NE2 3.11Å; D203-H395 PolarHBondContact OD2-NE2 2.93Å; F393-H395 HydrophobicContact CD1-CB 3.88Å; F393-H395 AromaticContact CD1-CG 3.97Å; F393-H395 HydrophobicContact CE1-CB 3.67Å; H395-Y397 AromaticContact CE1-CD2 3.73Å; H395-Y397 AromaticContact NE2-CD2 3.61Å
396N90.4Very high85.8Confident85 Ų8550.8 Ų50.846%0.45527%0.272SS..EExtended strand (participates in β ladder)trans-88.8120.8176.4-161.4-9.4000109.8Y198 K199Y198-N396 VanDerWaalsContact C-OD1 3.25Å; Y198-N396 VanDerWaalsContact CB-OD1 3.27Å; Y198-N396 WeakPolarHBondContact CB-OD1 3.44Å; Y198-N396 WeakPolarHBondContact CD1-OD1 3.44Å; K199-N396 PolarHBondContact N-OD1 2.91Å; K199-N396 PolarHBondContact O-OD1 2.64Å
397Y90.6Very high85.7Confident22 Ų2249.1 Ų49.19%0.08627%0.265CS..EExtended strand (participates in β ladder)trans-122.3144.2-173.7-164.8-91.5000110.8K199 V201 H395 F399 P406 L407K199-Y397 PolarHBondContact N-O 3.32Å; K199-Y397 PolarHBondContact O-N 3.05Å; V201-Y397 VanDerWaalsContact CG2-CB 3.41Å; V201-Y397 HydrophobicContact CG2-CG 4.17Å; H395-Y397 AromaticContact CE1-CD2 3.73Å; H395-Y397 AromaticContact NE2-CD2 3.61Å; Y397-F399 HydrophobicContact CD1-CD2 4.49Å; Y397-F399 HydrophobicContact CD1-CE2 4.19Å; Y397-F399 WeakPolarHBondContact O-CD2 3.4Å; Y397-P406 HydrophobicContact CD1-CB 4.35Å; Y397-P406 HydrophobicContact CE1-CB 4.02Å; Y397-L407 WeakPolarHBondContact CE1-O 3.42Å; Y397-L407 PolarHBondContact OH-O 2.82Å
398P90.1Very high85.6Confident7 Ų747.8 Ų47.85%0.04526%0.259CS..EExtended strand (participates in β ladder)trans-77.4131.2-177.230.5-35.1000112Y198 L407 Y409Y198-P398 HydrophobicContact CD1-CB 4.32Å; Y198-P398 HydrophobicContact CE1-CB 3.84Å; Y198-P398 HydrophobicContact CE1-CG 4.24Å; Y198-P398 HydrophobicContact CE2-CB 4.26Å; P398-L407 HydrophobicContact CB-CD1 4.23Å; P398-L407 HydrophobicContact CG-CB 4.43Å; P398-L407 PolarHBondContact O-N 3.46Å; P398-Y409 HydrophobicContact CG-CE2 4.48Å
399F86.9Confident85.5Confident24 Ų2450 Ų5011%0.10526%0.264CS..BIsolated β-bridgetrans-111.8153.7173.1-77.8-117.9000110.6N197 K199 V201 Y397 W401 D404 T405 P406N197-F399 HydrophobicContact CB-CB 4.5Å; N197-F399 WeakPolarHBondContact O-CA 3.37Å; N197-F399 WeakPolarHBondContact O-CB 3.43Å; N197-F399 PolarHBondContact O-N 3.11Å; K199-F399 HydrophobicContact CB-CD2 3.91Å; K199-F399 HydrophobicContact CB-CE2 4.02Å; K199-F399 HydrophobicContact CD-CB 4.4Å; K199-F399 HydrophobicContact CD-CD1 4.11Å; K199-F399 HydrophobicContact CD-CD2 4.12Å; K199-F399 HydrophobicContact CD-CE1 4.44Å; K199-F399 HydrophobicContact CD-CE2 4.49Å; K199-F399 HydrophobicContact CD-CG 3.95Å; K199-F399 HydrophobicContact CG-CD2 4.11Å; K199-F399 HydrophobicContact CG-CG 4.3Å; V201-F399 HydrophobicContact CG1-CE2 3.35Å; V201-F399 HydrophobicContact CG1-CZ 3.46Å; V201-F399 VanDerWaalsContact CG1-CZ 3.46Å; Y397-F399 HydrophobicContact CD1-CD2 4.49Å; Y397-F399 HydrophobicContact CD1-CE2 4.19Å; Y397-F399 WeakPolarHBondContact O-CD2 3.4Å; F399-W401 PolarHBondContact O-N 2.84Å; F399-D404 VanDerWaalsContact CD1-O 3.27Å; F399-D404 WeakPolarHBondContact CD1-O 3.25Å; F399-T405 CarbonylContact C-O 3.6Å; F399-T405 WeakPolarHBondContact CA-O 3.19Å; F399-P406 HydrophobicContact CD1-CG 4.31Å; F399-P406 HydrophobicContact CE1-CB 4.31Å; F399-P406 HydrophobicContact CE1-CG 3.67Å; F399-P406 HydrophobicContact CZ-CB 4.26Å; F399-P406 HydrophobicContact CZ-CG 3.81Å
400C74.2Confident85.4Confident0 Ų048.3 Ų48.30%025%0.254CS..  trans-62.2124.3170.1-177.70000108.6S182 N197 R402 S403 D404 T405 L407S182-C400 PolarHBondContact OG-SG 3.24Å; S182-C400 VanDerWaalsContact OG-SG 3.38Å; N197-C400 PolarHBondContact ND2-O 3.34Å; N197-C400 VanDerWaalsContact ND2-O 3.11Å; C400-R402 PolarHBondContact O-N 2.95Å; C400-R402 PolarHBondContact SG-N 2.89Å; C400-R402 VanDerWaalsContact SG-N 3.45Å; C400-S403 WeakPolarHBondContact CB-OG 3.46Å; C400-S403 PolarHBondContact SG-N 2.97Å; C400-S403 PolarHBondContact SG-OG 3.49Å; C400-D404 WeakPolarHBondContact O-CA 3.38Å; C400-D404 PolarHBondContact O-N 3.39Å; C400-T405 PolarHBondContact N-O 3.45Å; C400-L407 HydrophobicContact CB-CD2 3.71Å
401W65.7Low85.3Confident73 Ų7345.6 Ų45.628%0.27723%0.232SC..THydrogen-bonded Turntrans-68.6-16.2177.975.2-91000113.1Y94 Q196 N197 F399Y94-W401 HydrophobicContact CD2-CZ2 4.4Å; Y94-W401 AromaticContact CE2-CH2 3.98Å; Y94-W401 HydrophobicContact CE2-CH2 3.98Å; Y94-W401 AromaticContact CE2-CZ2 3.8Å; Y94-W401 HydrophobicContact CE2-CZ2 3.8Å; Q196-W401 HydrophobicContact CB-CB 4Å; Q196-W401 HydrophobicContact CB-CG 4.46Å; N197-W401 HydrophobicContact CB-CB 3.98Å; F399-W401 PolarHBondContact O-N 2.84Å
402R61.8Low85Confident31 Ų3143.3 Ų43.312%0.11722%0.215CC..THydrogen-bonded Turntrans-94-42.4-178.1-50.5-176.1-169.2-152.1-3.4113.1D97 K103 E193 C400D97-R402 IonicContact OD2-CZ 2.77Å; D97-R402 IonicContact OD2-NH1 3.88Å; D97-R402 PolarHBondContact OD2-NH1 3.12Å; D97-R402 IonicContact OD2-NH2 2.68Å; K103-R402 WeakPolarHBondContact O-CD 3.15Å; E193-R402 IonicContact OE1-CZ 3.37Å; E193-R402 IonicContact OE1-NE 2.8Å; E193-R402 IonicContact OE1-NH2 2.67Å; E193-R402 PolarHBondContact OE1-NH2 3.04Å; C400-R402 PolarHBondContact O-N 2.95Å; C400-R402 PolarHBondContact SG-N 2.89Å; C400-R402 VanDerWaalsContact SG-N 3.45Å
403S69.6Low84.7Confident41 Ų4141 Ų4129%0.28720%0.202SC..THydrogen-bonded Turntrans-110.1-7.9-172.6590000114.2C400 T405C400-S403 WeakPolarHBondContact CB-OG 3.46Å; C400-S403 PolarHBondContact SG-N 2.97Å; C400-S403 PolarHBondContact SG-OG 3.49Å; S403-T405 PolarHBondContact O-N 2.96Å; S403-T405 VanDerWaalsContact O-N 3.13Å; S403-T405 PolarHBondContact OG-OG1 3.39Å
404D76.2Confident84.6Confident91 Ų9137.8 Ų37.849%0.48719%0.188SC..  trans55.425.9-173.8-77.4-56.3000114.2N197 K199 F399 C400N197-D404 PolarHBondContact ND2-OD1 2.93Å; K199-D404 WeakPolarHBondContact CE-OD1 3.28Å; K199-D404 IonicContact NZ-OD1 3.95Å; K199-D404 PolarHBondContact NZ-OD1 3.18Å; F399-D404 VanDerWaalsContact CD1-O 3.27Å; F399-D404 WeakPolarHBondContact CD1-O 3.25Å; C400-D404 WeakPolarHBondContact O-CA 3.38Å; C400-D404 PolarHBondContact O-N 3.39Å
405T82.5Confident84.6Confident36 Ų3632 Ų3222%0.22116%0.163CC..PPolyproline II helixtrans-96.4148172.9580000111.3A184 F399 C400 S403 L407A184-T405 HydrophobicContact CB-CG2 3.77Å; A184-T405 WeakPolarHBondContact CB-OG1 2.76Å; F399-T405 CarbonylContact C-O 3.6Å; F399-T405 WeakPolarHBondContact CA-O 3.19Å; C400-T405 PolarHBondContact N-O 3.45Å; S403-T405 PolarHBondContact O-N 2.96Å; S403-T405 VanDerWaalsContact O-N 3.13Å; S403-T405 PolarHBondContact OG-OG1 3.39Å; T405-L407 PolarHBondContact O-N 3.03Å
406P89.8Confident84.7Confident33 Ų3330.6 Ų30.621%0.21416%0.156CC..BIsolated β-bridgetrans-57137.1176.1-20.530.3000111.6Y397 F399Y397-P406 HydrophobicContact CD1-CB 4.35Å; Y397-P406 HydrophobicContact CE1-CB 4.02Å; F399-P406 HydrophobicContact CD1-CG 4.31Å; F399-P406 HydrophobicContact CE1-CB 4.31Å; F399-P406 HydrophobicContact CE1-CG 3.67Å; F399-P406 HydrophobicContact CZ-CB 4.26Å; F399-P406 HydrophobicContact CZ-CG 3.81Å
407L91.7Very high84.8Confident0 Ų026.6 Ų26.60%014%0.135CC..PPolyproline II helixtrans-80.5150.8171.6-62.9-178.5000110.7P180 L189 Y397 P398 C400 T405P180-L407 HydrophobicContact CB-CD1 4.16Å; L189-L407 HydrophobicContact CD1-CD1 3.78Å; L189-L407 HydrophobicContact CD1-CD2 3.57Å; L189-L407 HydrophobicContact CD1-CG 4.35Å; Y397-L407 WeakPolarHBondContact CE1-O 3.42Å; Y397-L407 PolarHBondContact OH-O 2.82Å; P398-L407 HydrophobicContact CB-CD1 4.23Å; P398-L407 HydrophobicContact CG-CB 4.43Å; P398-L407 PolarHBondContact O-N 3.46Å; C400-L407 HydrophobicContact CB-CD2 3.71Å; T405-L407 PolarHBondContact O-N 3.03Å
408I93.8Very high84.8Confident0 Ų029.8 Ų29.80%015%0.147CC..EExtended strand (participates in β ladder)trans-115.4149.8165.864.3175.1000109P180 F181 T183 W228 V352 V370 K410P180-I408 CarbonylContact C-O 3.54Å; F181-I408 HydrophobicContact CB-CG1 4.22Å; F181-I408 WeakPolarHBondContact CB-O 3.2Å; F181-I408 PolarHBondContact N-O 3.37Å; F181-I408 PolarHBondContact O-N 3.16Å; F181-I408 VanDerWaalsContact O-N 3.15Å; T183-I408 HydrophobicContact CG2-CD1 3.6Å; T183-I408 HydrophobicContact CG2-CG1 3.87Å; W228-I408 HydrophobicContact CH2-CB 3.98Å; W228-I408 HydrophobicContact CH2-CD1 4.49Å; W228-I408 HydrophobicContact CH2-CG2 4.17Å; W228-I408 HydrophobicContact CZ2-CB 4.01Å; W228-I408 HydrophobicContact CZ2-CG2 3.85Å; V352-I408 HydrophobicContact CG1-CD1 4.32Å; V370-I408 HydrophobicContact CG2-CG2 4.15Å; I408-K410 HydrophobicContact CD1-CB 4.37Å; I408-K410 HydrophobicContact CD1-CD 4.25Å; I408-K410 HydrophobicContact CG1-CB 4.36Å
409Y92.4Very high84.8Confident79 Ų7929.5 Ų29.531%0.3114%0.144SC..EExtended strand (participates in β ladder)trans-86.2127.1164.8-76.5-92.4000108V178 M179 P180 F328 P398V178-Y409 HydrophobicContact CG1-CD1 4.42Å; M179-Y409 WeakPolarHBondContact O-CA 3.45Å; P180-Y409 HydrophobicContact CB-CE1 4.22Å; P180-Y409 HydrophobicContact CG-CD1 4.42Å; P180-Y409 HydrophobicContact CG-CE1 3.74Å; F328-Y409 WeakPolarHBondContact CA-O 3.18Å; F328-Y409 WeakPolarHBondContact CD1-O 3.38Å; F328-Y409 WeakPolarHBondContact O-CB 3.36Å; P398-Y409 HydrophobicContact CG-CE2 4.48Å
410K91Very high85Confident23 Ų2331 Ų3110%0.115%0.152CC..EExtended strand (participates in β ladder)trans-143.5141.6-174.7-178175.1-178.9-76.20109.9M179 F181 Y327 F328 V352 D353 I408 V412M179-K410 PolarHBondContact N-O 3.25Å; M179-K410 PolarHBondContact O-N 2.85Å; F181-K410 HydrophobicContact CB-CB 4.03Å; F181-K410 HydrophobicContact CG-CB 4.41Å; F181-K410 HydrophobicContact CG-CD 4.41Å; Y327-K410 CarbonylContact O-C 3.59Å; F328-K410 HydrophobicContact CE1-CG 4.37Å; V352-K410 WeakPolarHBondContact O-CE 3.37Å; V352-K410 PolarHBondContact O-NZ 3.07Å; D353-K410 WeakPolarHBondContact O-CE 3.41Å; I408-K410 HydrophobicContact CD1-CB 4.37Å; I408-K410 HydrophobicContact CD1-CD 4.25Å; I408-K410 HydrophobicContact CG1-CB 4.36Å; K410-V412 VanDerWaalsContact O-CG2 3.29Å; K410-V412 WeakPolarHBondContact O-CG2 3.36Å; K410-V412 PolarHBondContact O-N 3.19Å
411A90.3Very high85.7Confident5 Ų536.4 Ų36.44%0.04118%0.177CC..EExtended strand (participates in β ladder)trans-67.5126.117100000110.5V176 K177 V178 Y327V176-A411 HydrophobicContact CB-CB 4.04Å; V176-A411 HydrophobicContact CG1-CB 4.42Å; V176-A411 HydrophobicContact CG2-CB 4.13Å; K177-A411 WeakPolarHBondContact O-CA 3.36Å; V178-A411 HydrophobicContact CG2-CB 4.43Å; Y327-A411 HydrophobicContact CD1-CB 3.53Å; Y327-A411 HydrophobicContact CG-CB 4.12Å; Y327-A411 WeakPolarHBondContact O-CB 3.23Å; Y327-A411 PolarHBondContact O-N 3.18Å
412V86.1Confident87Confident9 Ų933.3 Ų33.36%0.05517%0.166CC..EExtended strand (participates in β ladder)trans-119.7132.5-179.8-152.20000107.8V176 K177 M179 F181 P188 K410 S414V176-V412 WeakPolarHBondContact CA-O 3.24Å; K177-V412 PolarHBondContact N-O 2.79Å; K177-V412 PolarHBondContact O-N 3.21Å; M179-V412 HydrophobicContact CB-CG2 4.15Å; M179-V412 HydrophobicContact CE-CB 3.82Å; M179-V412 HydrophobicContact CE-CG1 4.4Å; M179-V412 HydrophobicContact CE-CG2 3.74Å; F181-V412 HydrophobicContact CD2-CG2 4.11Å; P188-V412 HydrophobicContact CB-CG2 4.22Å; P188-V412 HydrophobicContact CG-CG1 4.33Å; K410-V412 VanDerWaalsContact O-CG2 3.29Å; K410-V412 WeakPolarHBondContact O-CG2 3.36Å; K410-V412 PolarHBondContact O-N 3.19Å; V412-S414 PolarHBondContact O-N 3.3Å
413P85.1Confident88.6Confident51 Ų5132.8 Ų32.833%0.33117%0.166SC..EExtended strand (participates in β ladder)trans-54.3134.6174.6-25.334.3000111
414S88.8Confident89.9Confident5 Ų537.3 Ų37.34%0.03519%0.187CC..EExtended strand (participates in β ladder)trans-148.8154.5177.6-169.90000111.3G175 V412 F416 S458G175-S414 PolarHBondContact N-O 3.33Å; G175-S414 PolarHBondContact O-N 3.37Å; G175-S414 VanDerWaalsContact O-O 3.13Å; V412-S414 PolarHBondContact O-N 3.3Å; S414-F416 WeakPolarHBondContact O-CD2 3.39Å; S414-S458 VanDerWaalsContact CA-OG 3.26Å; S414-S458 WeakPolarHBondContact CA-OG 3.37Å; S414-S458 PolarHBondContact OG-OG 2.6Å
415W90.9Very high90.9Very high12 Ų1239.7 Ų39.75%0.04519%0.193CC..EExtended strand (participates in β ladder)trans-97.3135.9171.6-6787.8000109.7V172 Y173 R174 I457 S458 L469 I520V172-W415 HydrophobicContact CG1-CE3 3.81Å; V172-W415 HydrophobicContact CG1-CZ3 4.34Å; Y173-W415 WeakPolarHBondContact O-CA 3.23Å; R174-W415 HydrophobicContact CB-CD2 4.17Å; R174-W415 HydrophobicContact CB-CE3 3.98Å; R174-W415 HydrophobicContact CB-CH2 3.9Å; R174-W415 HydrophobicContact CB-CZ2 4.08Å; R174-W415 HydrophobicContact CB-CZ3 3.85Å; R174-W415 HydrophobicContact CG-CD2 4.42Å; R174-W415 HydrophobicContact CG-CZ2 4.2Å; W415-I457 HydrophobicContact CB-CG1 4.3Å; W415-I457 WeakPolarHBondContact O-CG1 3.5Å; W415-I457 PolarHBondContact O-N 2.83Å; W415-S458 PolarHBondContact N-OG 3.24Å; W415-S458 PolarHBondContact O-N 3.21Å; W415-L469 HydrophobicContact CD2-CD1 3.76Å; W415-L469 HydrophobicContact CE3-CD1 3.77Å; W415-L469 HydrophobicContact CH2-CD1 3.47Å; W415-L469 VanDerWaalsContact CH2-CD1 3.47Å; W415-L469 HydrophobicContact CZ2-CD1 3.46Å; W415-L469 VanDerWaalsContact CZ2-CD1 3.46Å; W415-L469 HydrophobicContact CZ3-CD1 3.63Å; W415-I520 HydrophobicContact CZ2-CD1 4.44Å
416F90.4Very high91.6Very high16 Ų1638 Ų387%0.0718%0.182CC..EExtended strand (participates in β ladder)trans-122.8143.5-174.3-67.3-97.8000111V172 Y173 V176 K177 S414 D454 W455 A456V172-F416 VanDerWaalsContact CA-O 3.3Å; V172-F416 WeakPolarHBondContact CA-O 3.24Å; Y173-F416 HydrophobicContact CD1-CB 3.91Å; Y173-F416 HydrophobicContact CE1-CB 3.38Å; Y173-F416 HydrophobicContact CE1-CG 4.23Å; Y173-F416 HydrophobicContact CE2-CB 4.12Å; Y173-F416 HydrophobicContact CE2-CD2 4.05Å; Y173-F416 HydrophobicContact CE2-CG 4.26Å; Y173-F416 HydrophobicContact CG-CB 4.49Å; Y173-F416 VanDerWaalsContact CZ-CB 3.48Å; Y173-F416 AromaticContact CZ-CG 3.81Å; Y173-F416 PolarHBondContact N-O 3Å; Y173-F416 PolarHBondContact O-N 3.33Å; V176-F416 WeakPolarHBondContact O-CZ 3.26Å; K177-F416 HydrophobicContact CB-CZ 3.98Å; S414-F416 WeakPolarHBondContact O-CD2 3.39Å; F416-D454 HydrophobicContact CD1-CB 4.31Å; F416-W455 CarbonylContact C-O 3.58Å; F416-W455 VanDerWaalsContact CA-O 3.23Å; F416-W455 WeakPolarHBondContact CA-O 3.43Å; F416-A456 HydrophobicContact CD1-CB 3.91Å; F416-A456 HydrophobicContact CE1-CB 3.63Å; F416-A456 HydrophobicContact CZ-CB 4.2Å
417V92.1Very high92Very high0 Ų038.7 Ų38.70%018%0.184CC..EExtended strand (participates in β ladder)trans-93.8128.3160.31760000108.1L166 L171 V172 V419 D454 W455 I457 F528L166-V417 HydrophobicContact CD1-CG1 4.34Å; L166-V417 HydrophobicContact CD1-CG2 4.02Å; L171-V417 CarbonylContact O-C 3.57Å; L171-V417 WeakPolarHBondContact O-CA 3.46Å; V172-V417 HydrophobicContact CG2-CG2 4.45Å; V417-V419 HydrophobicContact CG1-CG2 4.41Å; V417-V419 PolarHBondContact O-N 3Å; V417-D454 CarbonylContact O-C 3.6Å; V417-D454 WeakPolarHBondContact O-CA 3.46Å; V417-W455 PolarHBondContact N-O 3.39Å; V417-W455 PolarHBondContact O-N 3.38Å; V417-I457 HydrophobicContact CB-CG2 4.5Å; V417-I457 HydrophobicContact CG2-CD1 3.69Å; V417-I457 HydrophobicContact CG2-CG1 4.16Å; V417-I457 HydrophobicContact CG2-CG2 3.82Å; V417-F528 HydrophobicContact CG2-CE2 4.16Å
418R91.8Very high92.2Very high90 Ų9043 Ų4334%0.3421%0.207SC..  trans-66.5118.3174.3-62.6-178.6-172.1-75.82.5108.8G170 L171 Y173 H421 M422 D454G170-R418 PolarHBondContact O-NE 2.79Å; L171-R418 WeakPolarHBondContact O-CG 3.48Å; L171-R418 PolarHBondContact O-N 3.04Å; Y173-R418 HydrophobicContact CD1-CG 3.64Å; Y173-R418 HydrophobicContact CE1-CG 3.77Å; R418-H421 WeakPolarHBondContact CB-ND1 3.41Å; R418-H421 PolarHBondContact O-CE1 3.46Å; R418-H421 PolarHBondContact O-ND1 2.85Å; R418-M422 WeakPolarHBondContact O-CE 3.15Å; R418-D454 VanDerWaalsContact CA-OD1 3.31Å; R418-D454 WeakPolarHBondContact CA-OD1 3.3Å
419V90.6Very high92.4Very high0 Ų043 Ų430%021%0.207CC..  trans-117.5-33.3177.6-177.90000110.8V417 H421 M422 V423 L426 A452 D454 W455 V573V417-V419 HydrophobicContact CG1-CG2 4.41Å; V417-V419 PolarHBondContact O-N 3Å; V419-H421 PolarHBondContact O-N 3.45Å; V419-H421 VanDerWaalsContact O-N 3.15Å; V419-M422 HydrophobicContact CG1-CG 4.48Å; V419-M422 WeakPolarHBondContact O-CG 3.44Å; V419-M422 PolarHBondContact O-N 2.76Å; V419-V423 PolarHBondContact O-N 3.37Å; V419-L426 HydrophobicContact CG1-CD1 3.67Å; V419-A452 HydrophobicContact CG1-CB 4.06Å; V419-D454 PolarHBondContact N-OD1 3.47Å; V419-W455 HydrophobicContact CG2-CB 4Å; V419-V573 HydrophobicContact CG1-CG2 4.22Å; V419-V573 HydrophobicContact CG2-CG1 3.96Å
420E89.4Confident92.6Very high57 Ų5739.6 Ų39.627%0.26619%0.194SC..G310 helixtrans-54.1-40.8-175.8-72169.3-163.900112.2R344 M422 V423 A452 R453 D454R344-E420 IonicContact CZ-OE2 2.93Å; R344-E420 IonicContact NH1-OE1 2.78Å; R344-E420 IonicContact NH1-OE2 2.68Å; R344-E420 PolarHBondContact NH1-OE2 3.41Å; R344-E420 IonicContact NH2-OE1 3.15Å; R344-E420 IonicContact NH2-OE2 3.59Å; R344-E420 PolarHBondContact NH2-OE2 2.85Å; E420-M422 VanDerWaalsContact C-N 3.26Å; E420-M422 PolarHBondContact O-N 3.29Å; E420-V423 WeakPolarHBondContact O-CG2 3.26Å; E420-A452 WeakPolarHBondContact CG-O 3.39Å; E420-R453 WeakPolarHBondContact OE1-CA 3.46Å; E420-R453 VanDerWaalsContact OE1-CD 3.23Å; E420-R453 WeakPolarHBondContact OE1-CD 3.4Å; E420-D454 PolarHBondContact N-OD1 2.99Å; E420-D454 VanDerWaalsContact N-OD1 3.11Å; E420-D454 PolarHBondContact OE1-N 3.19Å
421H89.5Confident92.9Very high113 Ų11340.7 Ų40.752%0.52321%0.213SC..G310 helixtrans-72-13.4-179.278.3-73.7000114.8L171 R418 V419L171-H421 WeakPolarHBondContact CD2-CE1 3.48Å; L171-H421 VanDerWaalsContact CD2-NE2 3.33Å; L171-H421 WeakPolarHBondContact CD2-NE2 3.41Å; R418-H421 WeakPolarHBondContact CB-ND1 3.41Å; R418-H421 PolarHBondContact O-CE1 3.46Å; R418-H421 PolarHBondContact O-ND1 2.85Å; V419-H421 PolarHBondContact O-N 3.45Å; V419-H421 VanDerWaalsContact O-N 3.15Å
422M94Very high93.2Very high8 Ų846.2 Ų46.24%0.03924%0.236CC..G310 helixtrans-112.59.6-177.669170.872.800113.5L171 R418 V419 E420 D424 K425 L426 A577L171-M422 HydrophobicContact CD1-CE 4.02Å; L171-M422 HydrophobicContact CD2-CE 4.5Å; R418-M422 WeakPolarHBondContact O-CE 3.15Å; V419-M422 HydrophobicContact CG1-CG 4.48Å; V419-M422 WeakPolarHBondContact O-CG 3.44Å; V419-M422 PolarHBondContact O-N 2.76Å; E420-M422 VanDerWaalsContact C-N 3.26Å; E420-M422 PolarHBondContact O-N 3.29Å; M422-D424 VanDerWaalsContact C-N 3.28Å; M422-D424 PolarHBondContact O-N 3.12Å; M422-K425 WeakPolarHBondContact O-CB 3.07Å; M422-K425 PolarHBondContact O-N 2.69Å; M422-L426 HydrophobicContact CG-CD1 4.07Å; M422-L426 HydrophobicContact CG-CG 4.16Å; M422-L426 WeakPolarHBondContact O-CG 3.26Å; M422-L426 PolarHBondContact O-N 2.98Å; M422-L426 HydrophobicContact SD-CD2 4.39Å; M422-A577 HydrophobicContact CE-CB 3.75Å; M422-A577 HydrophobicContact SD-CB 4.15Å
423V95.6Very high93.8Very high20 Ų2046 Ų4612%0.12123%0.234CC..Hα-helixtrans-50.8-45.9179.91680000112.1V419 E420 K425 L426 L427 L449 A452V419-V423 PolarHBondContact O-N 3.37Å; E420-V423 WeakPolarHBondContact O-CG2 3.26Å; V423-K425 VanDerWaalsContact C-N 3.33Å; V423-K425 PolarHBondContact O-N 3.47Å; V423-L426 WeakPolarHBondContact O-CB 3.31Å; V423-L426 PolarHBondContact O-N 2.91Å; V423-L426 VanDerWaalsContact O-N 3.14Å; V423-L427 HydrophobicContact CG1-CD1 3.94Å; V423-L427 HydrophobicContact CG1-CG 4.44Å; V423-L427 WeakPolarHBondContact O-CG 3.34Å; V423-L427 PolarHBondContact O-N 3.32Å; V423-L449 WeakPolarHBondContact CG1-O 3.4Å; V423-A452 HydrophobicContact CG2-CB 4.3Å
424D96.8Very high94.4Very high135 Ų13547.8 Ų47.872%0.72224%0.235SC*.Hα-helixtrans-61.6-40.4179.1-65.3-28.2000112.5M422 L427 D428M422-D424 VanDerWaalsContact C-N 3.28Å; M422-D424 PolarHBondContact O-N 3.12Å; D424-L427 PolarHBondContact O-N 2.82Å; D424-D428 PolarHBondContact O-N 2.68Å
425K97.1Very high94.7Very high142 Ų14247.7 Ų47.762%0.61723%0.234SC*.Hα-helixtrans-68.6-36.5176-65.9-176.5-179.7177.30111.7M422 V423 L427 D428 C429 T576M422-K425 WeakPolarHBondContact O-CB 3.07Å; M422-K425 PolarHBondContact O-N 2.69Å; V423-K425 VanDerWaalsContact C-N 3.33Å; V423-K425 PolarHBondContact O-N 3.47Å; K425-L427 VanDerWaalsContact C-N 3.34Å; K425-D428 PolarHBondContact O-N 2.94Å; K425-C429 WeakPolarHBondContact O-CB 3.37Å; K425-C429 PolarHBondContact O-N 2.93Å; K425-C429 PolarHBondContact O-SG 3.38Å; K425-C429 VanDerWaalsContact O-SG 3.4Å; K425-T576 HydrophobicContact CB-CG2 3.74Å
426L96.6Very high94.9Very high0 Ų047.3 Ų47.30%023%0.233CC..Hα-helixtrans-64-42175.3-65.6171.4000111V419 M422 V423 C429 N430 L449 L572 V573 T576V419-L426 HydrophobicContact CG1-CD1 3.67Å; M422-L426 HydrophobicContact CG-CD1 4.07Å; M422-L426 HydrophobicContact CG-CG 4.16Å; M422-L426 WeakPolarHBondContact O-CG 3.26Å; M422-L426 PolarHBondContact O-N 2.98Å; M422-L426 HydrophobicContact SD-CD2 4.39Å; V423-L426 WeakPolarHBondContact O-CB 3.31Å; V423-L426 PolarHBondContact O-N 2.91Å; V423-L426 VanDerWaalsContact O-N 3.14Å; L426-C429 PolarHBondContact O-N 2.97Å; L426-N430 VanDerWaalsContact O-CB 3.24Å; L426-N430 WeakPolarHBondContact O-CB 3.48Å; L426-N430 PolarHBondContact O-N 3.07Å; L426-L449 HydrophobicContact CB-CD1 4.48Å; L426-L449 HydrophobicContact CB-CD2 4.37Å; L426-L449 HydrophobicContact CD1-CD2 4.4Å; L426-L572 HydrophobicContact CB-CD2 4.42Å; L426-L572 HydrophobicContact CD2-CD2 4.38Å; L426-L572 HydrophobicContact CD2-CG 4.03Å; L426-V573 HydrophobicContact CD1-CG2 4.17Å; L426-V573 HydrophobicContact CD2-CG2 4.11Å; L426-T576 HydrophobicContact CD2-CG2 3.98Å
427L97.4Very high95.1Very high48 Ų4847.3 Ų47.325%0.25123%0.234SC..Hα-helixtrans-65.4-41.8176.5-67.5169000111.7V423 D424 K425 N430 G431 L449 R450V423-L427 HydrophobicContact CG1-CD1 3.94Å; V423-L427 HydrophobicContact CG1-CG 4.44Å; V423-L427 WeakPolarHBondContact O-CG 3.34Å; V423-L427 PolarHBondContact O-N 3.32Å; D424-L427 PolarHBondContact O-N 2.82Å; K425-L427 VanDerWaalsContact C-N 3.34Å; L427-N430 PolarHBondContact O-N 2.85Å; L427-G431 PolarHBondContact O-N 3.47Å; L427-L449 HydrophobicContact CD2-CB 3.83Å; L427-L449 HydrophobicContact CD2-CD1 4.29Å; L427-L449 HydrophobicContact CG-CB 4.48Å; L427-R450 HydrophobicContact CD1-CG 3.84Å; L427-R450 HydrophobicContact CD2-CG 4.15Å
428D97.5Very high95.1Very high89 Ų8952.8 Ų52.848%0.47626%0.26SS..Hα-helixtrans-62.1-48.2173.9176.255.5000112D424 K425 N430 G431 K432D424-D428 PolarHBondContact O-N 2.68Å; K425-D428 PolarHBondContact O-N 2.94Å; D428-N430 PolarHBondContact O-N 3.29Å; D428-G431 PolarHBondContact O-N 2.76Å; D428-K432 PolarHBondContact O-N 2.82Å; D428-K432 WeakPolarHBondContact OD1-CE 3.31Å; D428-K432 IonicContact OD1-NZ 3Å; D428-K432 WeakPolarHBondContact OD2-CE 3.29Å; D428-K432 IonicContact OD2-NZ 2.63Å; D428-K432 PolarHBondContact OD2-NZ 2.8Å
429C97.4Very high95.2Very high1 Ų152.5 Ų52.51%0.00726%0.261CS..Hα-helixtrans-59.4-45.3174.9-75.10000111.7K425 L426 G431 K432 C433 L572 T576 P582K425-C429 WeakPolarHBondContact O-CB 3.37Å; K425-C429 PolarHBondContact O-N 2.93Å; K425-C429 PolarHBondContact O-SG 3.38Å; K425-C429 VanDerWaalsContact O-SG 3.4Å; L426-C429 PolarHBondContact O-N 2.97Å; C429-G431 VanDerWaalsContact C-N 3.3Å; C429-G431 PolarHBondContact O-N 2.99Å; C429-K432 WeakPolarHBondContact O-CB 3.32Å; C429-K432 PolarHBondContact O-N 2.76Å; C429-K432 VanDerWaalsContact O-N 3.16Å; C429-C433 PolarHBondContact O-SG 3.11Å; C429-C433 VanDerWaalsContact O-SG 3.41Å; C429-L572 HydrophobicContact CB-CD1 3.7Å; C429-T576 PolarHBondContact SG-OG1 3.05Å; C429-P582 HydrophobicContact CB-CB 4.39Å
430N97.3Very high95.4Very high7 Ų752.5 Ų52.54%0.03726%0.261CS..Hα-helixtrans-63.1-35.1177.1-179.855.7000112.6L426 L427 D428 K432 C433 W435 R441 F445 L449 L572L426-N430 VanDerWaalsContact O-CB 3.24Å; L426-N430 WeakPolarHBondContact O-CB 3.48Å; L426-N430 PolarHBondContact O-N 3.07Å; L427-N430 PolarHBondContact O-N 2.85Å; D428-N430 PolarHBondContact O-N 3.29Å; N430-K432 PolarHBondContact O-N 3.34Å; N430-C433 WeakPolarHBondContact O-CB 3.4Å; N430-C433 PolarHBondContact O-N 3.08Å; N430-C433 VanDerWaalsContact O-N 3.11Å; N430-W435 WeakPolarHBondContact OD1-CZ2 3.5Å; N430-W435 PolarHBondContact OD1-NE1 2.64Å; N430-R441 PolarHBondContact ND2-O 3.25Å; N430-F445 WeakPolarHBondContact OD1-CD1 3.41Å; N430-L449 HydrophobicContact CB-CD1 3.91Å; N430-L572 HydrophobicContact CB-CD2 4.03Å
431G96.4Very high95.6Very high47 Ų4752 Ų5249%0.48526%0.257SS..Hα-helixtrans-63.9-25.7175.600000113.6L427 D428 C429 C433L427-G431 PolarHBondContact O-N 3.47Å; D428-G431 PolarHBondContact O-N 2.76Å; C429-G431 VanDerWaalsContact C-N 3.3Å; C429-G431 PolarHBondContact O-N 2.99Å; G431-C433 VanDerWaalsContact C-N 3.33Å
432K96.9Very high95.6Very high121 Ų12151.4 Ų51.453%0.52626%0.255SS..THydrogen-bonded Turntrans-81.7-10.1174.9-63.5167.3-168163.90113.3D428 C429 N430 P582D428-K432 PolarHBondContact O-N 2.82Å; D428-K432 WeakPolarHBondContact OD1-CE 3.31Å; D428-K432 IonicContact OD1-NZ 3Å; D428-K432 WeakPolarHBondContact OD2-CE 3.29Å; D428-K432 IonicContact OD2-NZ 2.63Å; D428-K432 PolarHBondContact OD2-NZ 2.8Å; C429-K432 WeakPolarHBondContact O-CB 3.32Å; C429-K432 PolarHBondContact O-N 2.76Å; C429-K432 VanDerWaalsContact O-N 3.16Å; N430-K432 PolarHBondContact O-N 3.34Å; K432-P582 HydrophobicContact CB-CG 4.29Å
433C97.3Very high95.5Very high3 Ų357.5 Ų57.52%0.0228%0.281CS..SBendtrans-89.8140.5176.5-56.30000110.7C429 N430 G431 P582 F584 K585C429-C433 PolarHBondContact O-SG 3.11Å; C429-C433 VanDerWaalsContact O-SG 3.41Å; N430-C433 WeakPolarHBondContact O-CB 3.4Å; N430-C433 PolarHBondContact O-N 3.08Å; N430-C433 VanDerWaalsContact O-N 3.11Å; G431-C433 VanDerWaalsContact C-N 3.33Å; C433-P582 VanDerWaalsContact SG-CB 3.54Å; C433-F584 HydrophobicContact CB-CD2 4.28Å; C433-F584 HydrophobicContact CB-CE2 4.04Å; C433-F584 PolarHBondContact SG-O 3.12Å; C433-F584 VanDerWaalsContact SG-O 3.34Å; C433-K585 WeakPolarHBondContact CA-O 3.39Å
434Y97.6Very high95.1Very high90 Ų9063.5 Ų63.535%0.35330%0.301SS..EExtended strand (participates in β ladder)trans-94.8123.6170.7179.3-110.1000110.4V436 K585 N586 V587 A713 Y714Y434-V436 HydrophobicContact CD1-CG2 4.21Å; Y434-V436 HydrophobicContact CE1-CG2 3.46Å; Y434-V436 VanDerWaalsContact CE1-CG2 3.46Å; Y434-K585 PolarHBondContact N-O 3.31Å; Y434-N586 WeakPolarHBondContact CD1-OD1 3.38Å; Y434-N586 CarbonylContact O-C 3.52Å; Y434-N586 WeakPolarHBondContact O-CA 3.48Å; Y434-V587 PolarHBondContact O-N 2.95Å; Y434-A713 WeakPolarHBondContact CE1-O 3.42Å; Y434-A713 PolarHBondContact OH-O 3.47Å; Y434-Y714 HydrophobicContact CD1-CD2 4.37Å; Y434-Y714 HydrophobicContact CE1-CD2 4.31Å
435W97.1Very high94.8Very high3 Ų357 Ų571%0.01127%0.267CS..EExtended strand (participates in β ladder)trans-115.7133.8-175.8-69.367.2000110.8N430 P437 E438 V440 R441 F445 T564 F568 F584 V587 V589N430-W435 WeakPolarHBondContact OD1-CZ2 3.5Å; N430-W435 PolarHBondContact OD1-NE1 2.64Å; W435-P437 CarbonylContact O-C 3.52Å; W435-E438 WeakPolarHBondContact O-CA 3.41Å; W435-E438 PolarHBondContact O-N 2.95Å; W435-V440 HydrophobicContact CE3-CB 4.04Å; W435-V440 HydrophobicContact CE3-CG1 3.58Å; W435-V440 HydrophobicContact CZ3-CG1 3.58Å; W435-R441 HydrophobicContact CB-CB 3.92Å; W435-R441 HydrophobicContact CD2-CB 4.25Å; W435-R441 HydrophobicContact CG-CB 3.68Å; W435-R441 HydrophobicContact CG-CG 4.16Å; W435-F445 HydrophobicContact CH2-CB 4.06Å; W435-F445 AromaticContact CH2-CD1 3.4Å; W435-F445 HydrophobicContact CH2-CD1 3.4Å; W435-F445 VanDerWaalsContact CH2-CD1 3.4Å; W435-F445 HydrophobicContact CH2-CD2 4.22Å; W435-F445 AromaticContact CH2-CE1 3.75Å; W435-F445 HydrophobicContact CH2-CE1 3.75Å; W435-F445 AromaticContact CH2-CG 3.65Å; W435-F445 HydrophobicContact CH2-CG 3.65Å; W435-F445 HydrophobicContact CH2-CZ 4.31Å; W435-F445 HydrophobicContact CZ2-CB 4.48Å; W435-F445 AromaticContact CZ2-CD1 3.27Å; W435-F445 HydrophobicContact CZ2-CD1 3.27Å; W435-F445 AromaticContact CZ2-CE1 3.51Å; W435-F445 HydrophobicContact CZ2-CE1 3.51Å; W435-F445 HydrophobicContact CZ2-CG 4Å; W435-F445 HydrophobicContact CZ2-CZ 4.42Å; W435-F445 HydrophobicContact CZ3-CB 4.41Å; W435-F445 HydrophobicContact CZ3-CD1 4.47Å; W435-F445 HydrophobicContact CZ3-CG 4.44Å; W435-T564 HydrophobicContact CZ3-CG2 4.39Å; W435-F568 HydrophobicContact CH2-CB 4.28Å; W435-F568 AromaticContact CH2-CD2 3.96Å; W435-F568 HydrophobicContact CH2-CD2 3.96Å; W435-F568 HydrophobicContact CH2-CG 4.34Å; W435-F568 AromaticContact CZ3-CD2 3.96Å; W435-F568 HydrophobicContact CZ3-CD2 3.96Å; W435-F568 HydrophobicContact CZ3-CE2 4.27Å; W435-F584 HydrophobicContact CZ2-CE2 4.45Å; W435-F584 HydrophobicContact CZ2-CZ 4.46Å; W435-V587 HydrophobicContact CD2-CB 4.22Å; W435-V587 HydrophobicContact CD2-CG2 4.42Å; W435-V587 HydrophobicContact CE3-CB 4.3Å; W435-V587 HydrophobicContact CE3-CG1 4.14Å; W435-V587 HydrophobicContact CG-CB 4.5Å; W435-V587 HydrophobicContact CZ3-CG1 4.23Å; W435-V589 HydrophobicContact CE3-CG2 3.63Å; W435-V589 HydrophobicContact CZ3-CG2 3.76Å
436V94.9Very high94.6Very high4 Ų450.4 Ų50.42%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-117.1114.4171.1-177.30000108.8Y434 V587 I588 V589 Y717Y434-V436 HydrophobicContact CD1-CG2 4.21Å; Y434-V436 HydrophobicContact CE1-CG2 3.46Å; Y434-V436 VanDerWaalsContact CE1-CG2 3.46Å; V436-V587 PolarHBondContact N-O 3.4Å; V436-I588 HydrophobicContact CB-CG1 4.39Å; V436-V589 PolarHBondContact O-N 2.96Å; V436-Y717 HydrophobicContact CG1-CD1 4.42Å; V436-Y717 HydrophobicContact CG1-CE1 3.85Å
437P94Very high94.3Very high16 Ų1654 Ų5410%0.10426%0.257CS..SBendcis-81.8153-2.133.2-34.2000113.7W435 F439 V440 A635W435-P437 CarbonylContact O-C 3.52Å; P437-F439 VanDerWaalsContact C-N 3.31Å; P437-F439 HydrophobicContact CB-CD1 3.79Å; P437-F439 HydrophobicContact CB-CE1 3.75Å; P437-F439 HydrophobicContact CG-CD1 3.7Å; P437-F439 HydrophobicContact CG-CE1 3.21Å; P437-F439 HydrophobicContact CG-CZ 3.89Å; P437-F439 PolarHBondContact O-N 3.47Å; P437-V440 HydrophobicContact CG-CG2 3.99Å; P437-V440 WeakPolarHBondContact O-CB 3.45Å; P437-V440 PolarHBondContact O-N 3.39Å; P437-V440 VanDerWaalsContact O-N 3.14Å; P437-A635 HydrophobicContact CG-CB 3.78Å
438E92.9Very high93.7Very high115 Ų11556.6 Ų56.654%0.53726%0.264SS..THydrogen-bonded Turntrans-58.8-35.2-172.1-176.8169.9-152.500114.2W435 V440 R441W435-E438 WeakPolarHBondContact O-CA 3.41Å; W435-E438 PolarHBondContact O-N 2.95Å; E438-V440 PolarHBondContact O-N 3.3Å; E438-R441 WeakPolarHBondContact O-CB 3.33Å; E438-R441 PolarHBondContact O-N 3.03Å; E438-R441 IonicContact OE1-CZ 3.28Å; E438-R441 IonicContact OE1-NH1 2.73Å; E438-R441 IonicContact OE1-NH2 2.8Å; E438-R441 PolarHBondContact OE1-NH2 2.82Å
439F93.3Very high93.4Very high84 Ų8452.3 Ų52.337%0.36824%0.241SC..Hα-helixtrans-59.4-22.9-178.778.2-98.9000113.2P437 K443 R444 A635P437-F439 VanDerWaalsContact C-N 3.31Å; P437-F439 HydrophobicContact CB-CD1 3.79Å; P437-F439 HydrophobicContact CB-CE1 3.75Å; P437-F439 HydrophobicContact CG-CD1 3.7Å; P437-F439 HydrophobicContact CG-CE1 3.21Å; P437-F439 HydrophobicContact CG-CZ 3.89Å; P437-F439 PolarHBondContact O-N 3.47Å; F439-K443 WeakPolarHBondContact O-CB 3.2Å; F439-K443 PolarHBondContact O-N 3.14Å; F439-R444 HydrophobicContact CE2-CG 4.37Å; F439-A635 HydrophobicContact CZ-CB 3.96Å
440V93.4Very high93.1Very high0 Ų058.6 Ų58.60%027%0.265CS..Iπ-helixtrans-67.5-40.2178-179.90000110.4W435 P437 E438 E442 R444 F445 T564 V589 A635W435-V440 HydrophobicContact CE3-CB 4.04Å; W435-V440 HydrophobicContact CE3-CG1 3.58Å; W435-V440 HydrophobicContact CZ3-CG1 3.58Å; P437-V440 HydrophobicContact CG-CG2 3.99Å; P437-V440 WeakPolarHBondContact O-CB 3.45Å; P437-V440 PolarHBondContact O-N 3.39Å; P437-V440 VanDerWaalsContact O-N 3.14Å; E438-V440 PolarHBondContact O-N 3.3Å; V440-E442 PolarHBondContact O-N 3.07Å; V440-R444 HydrophobicContact CG1-CB 4.19Å; V440-R444 PolarHBondContact O-N 2.87Å; V440-F445 WeakPolarHBondContact O-CB 3.41Å; V440-F445 PolarHBondContact O-N 2.94Å; V440-T564 HydrophobicContact CG1-CG2 3.71Å; V440-V589 HydrophobicContact CG1-CG1 4.45Å; V440-V589 HydrophobicContact CG1-CG2 4.14Å; V440-V589 HydrophobicContact CG2-CB 4.45Å; V440-V589 HydrophobicContact CG2-CG1 4.44Å; V440-A635 HydrophobicContact CG2-CB 4.14Å
441R94.8Very high92.5Very high45 Ų4564.1 Ų64.117%0.1730%0.295CS..Iπ-helixtrans-55.8-51.7179.4-174.5-177.268.5-161-8.8111.7N430 W435 E438 G446N430-R441 PolarHBondContact ND2-O 3.25Å; W435-R441 HydrophobicContact CB-CB 3.92Å; W435-R441 HydrophobicContact CD2-CB 4.25Å; W435-R441 HydrophobicContact CG-CB 3.68Å; W435-R441 HydrophobicContact CG-CG 4.16Å; E438-R441 WeakPolarHBondContact O-CB 3.33Å; E438-R441 PolarHBondContact O-N 3.03Å; E438-R441 IonicContact OE1-CZ 3.28Å; E438-R441 IonicContact OE1-NH1 2.73Å; E438-R441 IonicContact OE1-NH2 2.8Å; E438-R441 PolarHBondContact OE1-NH2 2.82Å; R441-G446 VanDerWaalsContact O-CA 3.32Å; R441-G446 WeakPolarHBondContact O-CA 3.34Å; R441-G446 PolarHBondContact O-N 3.22Å
442E89.8Confident91.7Very high102 Ų10262.2 Ų62.248%0.47727%0.274SS..Iπ-helixtrans-90.1-40.8-169.4-69.5176.9-168.600113.5V440 G446 N447 R450V440-E442 PolarHBondContact O-N 3.07Å; E442-G446 WeakPolarHBondContact O-CA 3.5Å; E442-N447 PolarHBondContact O-OD1 2.98Å; E442-R450 PolarHBondContact O-NH2 3.18Å
443K91.4Very high91.1Very high135 Ų13563.8 Ų63.859%0.58728%0.277SS*.Iπ-helixtrans-91.1-69.3-174.6-58.5-176.1178.8178.80110.8F439 N447F439-K443 WeakPolarHBondContact O-CB 3.2Å; F439-K443 PolarHBondContact O-N 3.14Å; K443-N447 WeakPolarHBondContact O-CB 3.41Å; K443-N447 PolarHBondContact O-N 2.95Å; K443-N447 VanDerWaalsContact O-N 3.11Å; K443-N447 PolarHBondContact O-ND2 3.17Å; K443-N447 PolarHBondContact O-OD1 2.75Å
444R86.6Confident90.5Very high146 Ų14664.6 Ų64.655%0.55128%0.281SS*.Iπ-helixtrans-63.7-54.7-171.6-75.3-76.5-170.9-158.8-0.5111.8F439 V440F439-R444 HydrophobicContact CE2-CG 4.37Å; V440-R444 HydrophobicContact CG1-CB 4.19Å; V440-R444 PolarHBondContact O-N 2.87Å
445F91.4Very high90.1Very high0 Ų061.4 Ų61.40%027%0.268CS..Iπ-helixtrans-85.4-44.3-175.7-165.8-122.3000111.5N430 W435 V440 N447 W448 L449 T564 F568 L572N430-F445 WeakPolarHBondContact OD1-CD1 3.41Å; W435-F445 HydrophobicContact CH2-CB 4.06Å; W435-F445 AromaticContact CH2-CD1 3.4Å; W435-F445 HydrophobicContact CH2-CD1 3.4Å; W435-F445 VanDerWaalsContact CH2-CD1 3.4Å; W435-F445 HydrophobicContact CH2-CD2 4.22Å; W435-F445 AromaticContact CH2-CE1 3.75Å; W435-F445 HydrophobicContact CH2-CE1 3.75Å; W435-F445 AromaticContact CH2-CG 3.65Å; W435-F445 HydrophobicContact CH2-CG 3.65Å; W435-F445 HydrophobicContact CH2-CZ 4.31Å; W435-F445 HydrophobicContact CZ2-CB 4.48Å; W435-F445 AromaticContact CZ2-CD1 3.27Å; W435-F445 HydrophobicContact CZ2-CD1 3.27Å; W435-F445 AromaticContact CZ2-CE1 3.51Å; W435-F445 HydrophobicContact CZ2-CE1 3.51Å; W435-F445 HydrophobicContact CZ2-CG 4Å; W435-F445 HydrophobicContact CZ2-CZ 4.42Å; W435-F445 HydrophobicContact CZ3-CB 4.41Å; W435-F445 HydrophobicContact CZ3-CD1 4.47Å; W435-F445 HydrophobicContact CZ3-CG 4.44Å; V440-F445 WeakPolarHBondContact O-CB 3.41Å; V440-F445 PolarHBondContact O-N 2.94Å; F445-N447 PolarHBondContact O-N 2.96Å; F445-W448 WeakPolarHBondContact O-CB 3.39Å; F445-W448 PolarHBondContact O-N 2.91Å; F445-W448 VanDerWaalsContact O-N 3.09Å; F445-L449 HydrophobicContact CD1-CD1 3.9Å; F445-L449 HydrophobicContact CD1-CG 4.39Å; F445-L449 HydrophobicContact CE1-CD1 3.78Å; F445-L449 HydrophobicContact CE1-CD2 4.47Å; F445-L449 HydrophobicContact CE1-CG 4.3Å; F445-L449 HydrophobicContact CZ-CD1 4.35Å; F445-L449 HydrophobicContact CZ-CD2 4.22Å; F445-L449 HydrophobicContact CZ-CG 4.45Å; F445-L449 WeakPolarHBondContact O-CG 3.4Å; F445-L449 PolarHBondContact O-N 2.95Å; F445-T564 HydrophobicContact CB-CG2 4.49Å; F445-T564 HydrophobicContact CD2-CG2 4.49Å; F445-T564 WeakPolarHBondContact CD2-O 3.33Å; F445-T564 VanDerWaalsContact CE2-O 3.23Å; F445-T564 WeakPolarHBondContact CE2-O 3.31Å; F445-F568 HydrophobicContact CE2-CB 4.2Å; F445-F568 HydrophobicContact CZ-CB 4.2Å; F445-L572 HydrophobicContact CE1-CD2 3.7Å; F445-L572 HydrophobicContact CZ-CB 4.49Å; F445-L572 HydrophobicContact CZ-CD2 4.01Å
446G92.9Very high89.6Confident2 Ų261.5 Ų61.52%0.02127%0.27CS..Hα-helixtrans-58-43.7176.900000114.1R441 E442 W448 L449 R450R441-G446 VanDerWaalsContact O-CA 3.32Å; R441-G446 WeakPolarHBondContact O-CA 3.34Å; R441-G446 PolarHBondContact O-N 3.22Å; E442-G446 WeakPolarHBondContact O-CA 3.5Å; G446-W448 VanDerWaalsContact C-N 3.34Å; G446-L449 PolarHBondContact O-N 2.98Å; G446-R450 PolarHBondContact O-N 3.15Å; G446-R450 VanDerWaalsContact O-N 3.15Å
447N90.2Very high89.3Confident75 Ų7561.3 Ų61.340%0.40127%0.269SS..Hα-helixtrans-64.4-41174.3-62.3-4.4000111.3E442 K443 F445 L449 R450 D451E442-N447 PolarHBondContact O-OD1 2.98Å; K443-N447 WeakPolarHBondContact O-CB 3.41Å; K443-N447 PolarHBondContact O-N 2.95Å; K443-N447 VanDerWaalsContact O-N 3.11Å; K443-N447 PolarHBondContact O-ND2 3.17Å; K443-N447 PolarHBondContact O-OD1 2.75Å; F445-N447 PolarHBondContact O-N 2.96Å; N447-L449 VanDerWaalsContact C-N 3.31Å; N447-L449 PolarHBondContact O-N 2.87Å; N447-R450 PolarHBondContact O-N 3.47Å; N447-R450 PolarHBondContact OD1-NH1 3Å; N447-R450 PolarHBondContact OD1-NH2 3.23Å; N447-D451 PolarHBondContact O-N 3.45Å
448W85.1Confident89.2Confident103 Ų10360.8 Ų60.839%0.3927%0.265SS..Hα-helixtrans-60.8-40.2177.4178.9-101.6000112.4F445 G446 D451 A452 R565 Y569F445-W448 WeakPolarHBondContact O-CB 3.39Å; F445-W448 PolarHBondContact O-N 2.91Å; F445-W448 VanDerWaalsContact O-N 3.09Å; G446-W448 VanDerWaalsContact C-N 3.34Å; W448-D451 PolarHBondContact O-N 3.18Å; W448-A452 PolarHBondContact O-N 3.35Å; W448-R565 HydrophobicContact CD2-CG 4.18Å; W448-R565 HydrophobicContact CE3-CG 4.43Å; W448-R565 HydrophobicContact CZ2-CG 4.42Å; W448-Y569 AromaticContact CD1-CD2 3.81Å; W448-Y569 AromaticContact NE1-CD2 3.57Å; W448-Y569 AromaticContact NE1-CE2 3.81Å; W448-Y569 AromaticContact NE1-CG 3.95Å
449L90.8Very high88.7Confident0 Ų058.9 Ų58.90%025%0.253CS..Hα-helixtrans-66.6-37.8176.6-67.4177.1000112.5V423 L426 L427 N430 F445 G446 N447 D451 A452 Y569 L572V423-L449 WeakPolarHBondContact CG1-O 3.4Å; L426-L449 HydrophobicContact CB-CD1 4.48Å; L426-L449 HydrophobicContact CB-CD2 4.37Å; L426-L449 HydrophobicContact CD1-CD2 4.4Å; L427-L449 HydrophobicContact CD2-CB 3.83Å; L427-L449 HydrophobicContact CD2-CD1 4.29Å; L427-L449 HydrophobicContact CG-CB 4.48Å; N430-L449 HydrophobicContact CB-CD1 3.91Å; F445-L449 HydrophobicContact CD1-CD1 3.9Å; F445-L449 HydrophobicContact CD1-CG 4.39Å; F445-L449 HydrophobicContact CE1-CD1 3.78Å; F445-L449 HydrophobicContact CE1-CD2 4.47Å; F445-L449 HydrophobicContact CE1-CG 4.3Å; F445-L449 HydrophobicContact CZ-CD1 4.35Å; F445-L449 HydrophobicContact CZ-CD2 4.22Å; F445-L449 HydrophobicContact CZ-CG 4.45Å; F445-L449 WeakPolarHBondContact O-CG 3.4Å; F445-L449 PolarHBondContact O-N 2.95Å; G446-L449 PolarHBondContact O-N 2.98Å; N447-L449 VanDerWaalsContact C-N 3.31Å; N447-L449 PolarHBondContact O-N 2.87Å; L449-D451 VanDerWaalsContact C-N 3.27Å; L449-D451 PolarHBondContact O-N 3.02Å; L449-A452 VanDerWaalsContact O-CB 3.23Å; L449-A452 WeakPolarHBondContact O-CB 3.29Å; L449-A452 PolarHBondContact O-N 3.46Å; L449-Y569 HydrophobicContact CD2-CD2 3.87Å; L449-Y569 HydrophobicContact CD2-CE2 4.04Å; L449-L572 HydrophobicContact CD1-CD2 3.71Å; L449-L572 HydrophobicContact CD2-CD2 4.18Å
450R91.3Very high88.3Confident133 Ų13357.5 Ų57.550%0.50225%0.249SC..Hα-helixtrans-62.6-35177.5-73.6-172.5-134.2102.69.7112.8L427 E442 G446 N447L427-R450 HydrophobicContact CD1-CG 3.84Å; L427-R450 HydrophobicContact CD2-CG 4.15Å; E442-R450 PolarHBondContact O-NH2 3.18Å; G446-R450 PolarHBondContact O-N 3.15Å; G446-R450 VanDerWaalsContact O-N 3.15Å; N447-R450 PolarHBondContact O-N 3.47Å; N447-R450 PolarHBondContact OD1-NH1 3Å; N447-R450 PolarHBondContact OD1-NH2 3.23Å
451D83.5Confident87.9Confident123 Ų12359.1 Ų59.166%0.65826%0.256SS*.THydrogen-bonded Turntrans-96.511.5180-59.7-37.7000112.8N447 W448 L449 R453N447-D451 PolarHBondContact O-N 3.45Å; W448-D451 PolarHBondContact O-N 3.18Å; L449-D451 VanDerWaalsContact C-N 3.27Å; L449-D451 PolarHBondContact O-N 3.02Å; D451-R453 PolarHBondContact O-N 3.31Å
452A80.9Confident87.7Confident7 Ų758.8 Ų58.86%0.05826%0.255CS..  trans-62.1134.6-175.300000111.4V419 E420 V423 W448 L449 Y569V419-A452 HydrophobicContact CG1-CB 4.06Å; E420-A452 WeakPolarHBondContact CG-O 3.39Å; V423-A452 HydrophobicContact CG2-CB 4.3Å; W448-A452 PolarHBondContact O-N 3.35Å; L449-A452 VanDerWaalsContact O-CB 3.23Å; L449-A452 WeakPolarHBondContact O-CB 3.29Å; L449-A452 PolarHBondContact O-N 3.46Å; A452-Y569 HydrophobicContact CB-CE2 4.31Å
453R83.2Confident87.9Confident153 Ų15354 Ų5458%0.57723%0.232SC*.  trans-108.5163.2177.2-60.2-61.3-177.3174.7-0.1110.7E420 D451 W455E420-R453 WeakPolarHBondContact OE1-CA 3.46Å; E420-R453 VanDerWaalsContact OE1-CD 3.23Å; E420-R453 WeakPolarHBondContact OE1-CD 3.4Å; D451-R453 PolarHBondContact O-N 3.31Å; R453-W455 PolarHBondContact O-N 3.02Å
454D86.4Confident88.1Confident20 Ų2047.6 Ų47.611%0.10720%0.204CC..  trans-55.5132.7175.3-71.4-10.7000111Y173 R344 F416 V417 R418 V419 E420 A456Y173-D454 HydrophobicContact CE1-CB 4.3Å; Y173-D454 WeakPolarHBondContact CE1-OD2 3.27Å; Y173-D454 PolarHBondContact OH-OD2 3.37Å; R344-D454 IonicContact NH1-OD2 2.86Å; R344-D454 PolarHBondContact NH1-OD2 2.81Å; F416-D454 HydrophobicContact CD1-CB 4.31Å; V417-D454 CarbonylContact O-C 3.6Å; V417-D454 WeakPolarHBondContact O-CA 3.46Å; R418-D454 VanDerWaalsContact CA-OD1 3.31Å; R418-D454 WeakPolarHBondContact CA-OD1 3.3Å; V419-D454 PolarHBondContact N-OD1 3.47Å; E420-D454 PolarHBondContact N-OD1 2.99Å; E420-D454 VanDerWaalsContact N-OD1 3.11Å; E420-D454 PolarHBondContact OE1-N 3.19Å; D454-A456 PolarHBondContact O-N 2.71Å
455W87.3Confident88.6Confident24 Ų2440.6 Ų40.69%0.09118%0.178CC..EExtended strand (participates in β ladder)trans-89.6113.3-169173.722.3000110.8F416 V417 V419 R453 I457 D525 W527 F528 T570 V573 L574F416-W455 CarbonylContact C-O 3.58Å; F416-W455 VanDerWaalsContact CA-O 3.23Å; F416-W455 WeakPolarHBondContact CA-O 3.43Å; V417-W455 PolarHBondContact N-O 3.39Å; V417-W455 PolarHBondContact O-N 3.38Å; V419-W455 HydrophobicContact CG2-CB 4Å; R453-W455 PolarHBondContact O-N 3.02Å; W455-I457 HydrophobicContact CD2-CG2 3.45Å; W455-I457 VanDerWaalsContact CD2-CG2 3.45Å; W455-I457 HydrophobicContact CE3-CG2 3.83Å; W455-I457 HydrophobicContact CG-CG2 3.8Å; W455-I457 HydrophobicContact CH2-CG2 4.42Å; W455-I457 HydrophobicContact CZ2-CG2 4.03Å; W455-I457 HydrophobicContact CZ3-CG2 4.3Å; W455-I457 PolarHBondContact O-N 2.92Å; W455-D525 PolarHBondContact NE1-OD2 3.42Å; W455-W527 HydrophobicContact CZ2-CB 3.98Å; W455-F528 VanDerWaalsContact CH2-CA 3.5Å; W455-F528 HydrophobicContact CH2-CB 3.83Å; W455-F528 AromaticContact CH2-CD2 3.69Å; W455-F528 HydrophobicContact CH2-CD2 3.69Å; W455-F528 HydrophobicContact CH2-CG 4.18Å; W455-F528 HydrophobicContact CZ2-CB 3.91Å; W455-F528 HydrophobicContact CZ2-CD2 4.26Å; W455-F528 AromaticContact CZ3-CD2 3.81Å; W455-F528 HydrophobicContact CZ3-CD2 3.81Å; W455-F528 HydrophobicContact CZ3-CE2 4.49Å; W455-T570 HydrophobicContact CH2-CG2 3.38Å; W455-T570 HydrophobicContact CZ2-CG2 3.57Å; W455-T570 HydrophobicContact CZ3-CG2 4.01Å; W455-V573 HydrophobicContact CE3-CG1 4.28Å; W455-V573 HydrophobicContact CZ3-CG1 4.47Å; W455-L574 HydrophobicContact CH2-CD1 4.39Å; W455-L574 HydrophobicContact CZ3-CD1 4.35Å; W455-L574 HydrophobicContact CZ3-CD2 4.15Å; W455-L574 HydrophobicContact CZ3-CG 4.16Å
456A87.2Confident88.9Confident5 Ų540.6 Ų40.64%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-69.1107.9170.800000110.8K177 F416 D454 R459K177-A456 HydrophobicContact CD-CB 3.91Å; F416-A456 HydrophobicContact CD1-CB 3.91Å; F416-A456 HydrophobicContact CE1-CB 3.63Å; F416-A456 HydrophobicContact CZ-CB 4.2Å; D454-A456 PolarHBondContact O-N 2.71Å; A456-R459 PolarHBondContact O-NH1 3.11Å; A456-R459 PolarHBondContact O-NH2 2.99Å
457I89.4Confident89.2Confident0 Ų040.5 Ų40.50%018%0.177CC..  trans-102-9-174.252.3158.2000113.9F163 W415 V417 W455 F524 D525 F528F163-I457 HydrophobicContact CD2-CD1 3.85Å; F163-I457 HydrophobicContact CE2-CD1 3.53Å; W415-I457 HydrophobicContact CB-CG1 4.3Å; W415-I457 WeakPolarHBondContact O-CG1 3.5Å; W415-I457 PolarHBondContact O-N 2.83Å; V417-I457 HydrophobicContact CB-CG2 4.5Å; V417-I457 HydrophobicContact CG2-CD1 3.69Å; V417-I457 HydrophobicContact CG2-CG1 4.16Å; V417-I457 HydrophobicContact CG2-CG2 3.82Å; W455-I457 HydrophobicContact CD2-CG2 3.45Å; W455-I457 VanDerWaalsContact CD2-CG2 3.45Å; W455-I457 HydrophobicContact CE3-CG2 3.83Å; W455-I457 HydrophobicContact CG-CG2 3.8Å; W455-I457 HydrophobicContact CH2-CG2 4.42Å; W455-I457 HydrophobicContact CZ2-CG2 4.03Å; W455-I457 HydrophobicContact CZ3-CG2 4.3Å; W455-I457 PolarHBondContact O-N 2.92Å; I457-F524 HydrophobicContact CD1-CD1 4.48Å; I457-F524 HydrophobicContact CD1-CE1 4.11Å; I457-F524 CarbonylContact O-C 3.45Å; I457-F524 WeakPolarHBondContact O-CA 3.47Å; I457-D525 PolarHBondContact O-N 3.31Å; I457-F528 HydrophobicContact CB-CD2 4.26Å; I457-F528 HydrophobicContact CD1-CE2 4.32Å; I457-F528 HydrophobicContact CG2-CD2 3.65Å; I457-F528 HydrophobicContact CG2-CE2 4.24Å
458S90.6Very high89.6Confident4 Ų437 Ų373%0.02816%0.158CC..EExtended strand (participates in β ladder)trans-92145.5176.2720000113.2S414 W415S414-S458 VanDerWaalsContact CA-OG 3.26Å; S414-S458 WeakPolarHBondContact CA-OG 3.37Å; S414-S458 PolarHBondContact OG-OG 2.6Å; W415-S458 PolarHBondContact N-OG 3.24Å; W415-S458 PolarHBondContact O-N 3.21Å
459R84.1Confident90.2Very high76 Ų7632 Ų3229%0.28714%0.14SC..EExtended strand (participates in β ladder)trans-132.5131.8175.5-59.3-67177.2-93.70.2109.7A456 R461 E522 V523 D525A456-R459 PolarHBondContact O-NH1 3.11Å; A456-R459 PolarHBondContact O-NH2 2.99Å; R459-R461 HydrophobicContact CB-CB 4.44Å; R459-R461 HydrophobicContact CB-CG 4.03Å; R459-R461 PolarHBondContact O-N 2.97Å; R459-E522 WeakPolarHBondContact O-CA 3.4Å; R459-V523 HydrophobicContact CB-CG2 4.15Å; R459-V523 PolarHBondContact N-O 2.87Å; R459-V523 PolarHBondContact O-N 2.79Å; R459-D525 HydrophobicContact CG-CB 4.39Å; R459-D525 VanDerWaalsContact CZ-CG 3.48Å; R459-D525 IonicContact CZ-OD1 3.51Å; R459-D525 IonicContact CZ-OD2 3.62Å; R459-D525 IonicContact NE-OD1 3.82Å; R459-D525 PolarHBondContact NE-OD1 3.47Å; R459-D525 IonicContact NH2-OD1 3.42Å; R459-D525 PolarHBondContact NH2-OD1 2.92Å; R459-D525 IonicContact NH2-OD2 3.04Å; R459-D525 PolarHBondContact NH2-OD2 2.9Å
460N84.9Confident90.5Very high55 Ų5532 Ų3229%0.29414%0.14SC..SBendtrans-80.969.2174.1-58.191.2000110.2P188P188-N460 HydrophobicContact CG-CB 4.46Å
461R85.1Confident90.8Very high34 Ų3426.2 Ų26.213%0.12812%0.119CC..  trans-137.5179-173-59.2-62.5-70.1175.95.6111.4E93 D97 R459 R500 V523E93-R461 VanDerWaalsContact CB-NH2 3.3Å; E93-R461 WeakPolarHBondContact OE2-CB 3.45Å; E93-R461 IonicContact OE2-CZ 3.15Å; E93-R461 IonicContact OE2-NE 2.71Å; E93-R461 PolarHBondContact OE2-NE 3.39Å; E93-R461 IonicContact OE2-NH2 2.99Å; E93-R461 PolarHBondContact OE2-NH2 3.41Å; D97-R461 IonicContact OD2-NH2 3.22Å; R459-R461 HydrophobicContact CB-CB 4.44Å; R459-R461 HydrophobicContact CB-CG 4.03Å; R459-R461 PolarHBondContact O-N 2.97Å; R461-R500 PolarHBondContact O-NH1 3.3Å; R461-V523 HydrophobicContact CB-CG2 3.93Å
462Y90.4Very high91.4Very high38 Ų3820.4 Ų20.415%0.1499%0.088CC..SBendtrans-110.7-42.2-169.8-51.9-79.3000112.9E93 P105 V108 I113 Y116 N117 R500E93-Y462 PolarHBondContact OE1-N 3.43Å; P105-Y462 WeakPolarHBondContact CA-OH 3.27Å; P105-Y462 VanDerWaalsContact CB-OH 3.25Å; P105-Y462 WeakPolarHBondContact CB-OH 3.43Å; V108-Y462 HydrophobicContact CB-CD2 4.43Å; V108-Y462 HydrophobicContact CB-CE1 4.37Å; V108-Y462 HydrophobicContact CB-CE2 3.91Å; V108-Y462 HydrophobicContact CG1-CD1 3.94Å; V108-Y462 HydrophobicContact CG1-CD2 3.89Å; V108-Y462 HydrophobicContact CG1-CE1 3.85Å; V108-Y462 HydrophobicContact CG1-CE2 3.82Å; V108-Y462 HydrophobicContact CG1-CG 3.95Å; V108-Y462 HydrophobicContact CG2-CD2 4.19Å; V108-Y462 HydrophobicContact CG2-CE2 3.73Å; I113-Y462 HydrophobicContact CD1-CD1 3.98Å; I113-Y462 HydrophobicContact CD1-CE1 4.37Å; I113-Y462 HydrophobicContact CG1-CD1 3.9Å; I113-Y462 HydrophobicContact CG1-CE1 4.35Å; Y116-Y462 HydrophobicContact CE1-CD2 4.19Å; N117-Y462 PolarHBondContact ND2-O 3.47Å; N117-Y462 PolarHBondContact OD1-O 3.26Å; Y462-R500 WeakPolarHBondContact O-CD 3.39Å
463W93.9Very high91.8Very high0 Ų026.3 Ų26.30%012%0.118CC..SBendtrans-100.499-176.1-176.7-114.1000111.7C87 H88 G89 E93 N117 C120 R121 L151 H499C87-W463 PolarHBondContact O-NE1 3.34Å; H88-W463 AromaticContact CD2-CD1 3.99Å; H88-W463 AromaticContact CD2-CD2 3.99Å; H88-W463 AromaticContact CD2-CE2 3.54Å; H88-W463 AromaticContact CD2-CZ2 3.81Å; H88-W463 AromaticContact CD2-NE1 3.56Å; H88-W463 AromaticContact NE2-CZ2 3.99Å; G89-W463 PolarHBondContact N-O 2.77Å; E93-W463 HydrophobicContact CG-CB 3.63Å; E93-W463 HydrophobicContact CG-CG 4.47Å; E93-W463 PolarHBondContact OE1-N 2.99Å; N117-W463 HydrophobicContact CB-CE3 3.58Å; N117-W463 HydrophobicContact CB-CZ3 3.87Å; N117-W463 WeakPolarHBondContact O-CZ3 3.38Å; C120-W463 HydrophobicContact CB-CB 4.15Å; C120-W463 HydrophobicContact CB-CD2 3.48Å; C120-W463 VanDerWaalsContact CB-CD2 3.48Å; C120-W463 HydrophobicContact CB-CE3 4.09Å; C120-W463 HydrophobicContact CB-CG 3.49Å; C120-W463 VanDerWaalsContact CB-CG 3.49Å; C120-W463 HydrophobicContact CB-CZ2 4.42Å; R121-W463 HydrophobicContact CB-CH2 3.76Å; R121-W463 HydrophobicContact CB-CZ2 4.16Å; R121-W463 HydrophobicContact CB-CZ3 4.43Å; R121-W463 HydrophobicContact CG-CH2 4.19Å; L151-W463 HydrophobicContact CB-CH2 4.49Å; L151-W463 HydrophobicContact CB-CZ2 4.32Å; L151-W463 HydrophobicContact CD2-CH2 4.46Å; L151-W463 HydrophobicContact CD2-CZ2 4.07Å; W463-H499 AromaticContact CE3-CD2 3.73Å; W463-H499 AromaticContact CH2-CD2 3.82Å; W463-H499 AromaticContact CH2-NE2 3.35Å; W463-H499 VanDerWaalsContact CH2-NE2 3.35Å; W463-H499 WeakPolarHBondContact CH2-NE2 3.44Å; W463-H499 AromaticContact CZ3-CD2 3.27Å; W463-H499 WeakPolarHBondContact CZ3-CD2 3.28Å; W463-H499 AromaticContact CZ3-NE2 3.35Å; W463-H499 WeakPolarHBondContact CZ3-NE2 3.49Å
464G94.6Very high91.9Very high1 Ų123 Ų231%0.0111%0.112CC..SBendtrans174.9171.8178.400000111.7P466G464-P466 VanDerWaalsContact O-CD 3.26Å; G464-P466 WeakPolarHBondContact O-CD 3.43Å
465T98Very high92Very high0 Ų025.4 Ų25.40%012%0.122CC..PPolyproline II helixtrans-63.8120.9173.2-52.30000109.1M156 V159 V523 F524 E529M156-T465 HydrophobicContact CB-CG2 3.96Å; M156-T465 HydrophobicContact CE-CG2 4.21Å; M156-T465 HydrophobicContact CG-CG2 4.19Å; V159-T465 HydrophobicContact CB-CG2 4.28Å; V159-T465 HydrophobicContact CG1-CG2 4.03Å; T465-V523 CarbonylContact O-C 3.57Å; T465-V523 WeakPolarHBondContact O-CA 3.36Å; T465-V523 WeakPolarHBondContact O-CB 3.41Å; T465-F524 HydrophobicContact CG2-CD2 3.9Å; T465-F524 HydrophobicContact CG2-CE2 4.29Å; T465-F524 VanDerWaalsContact O-CD2 3.26Å; T465-F524 WeakPolarHBondContact O-CD2 3.27Å; T465-F524 PolarHBondContact O-N 2.81Å; T465-E529 WeakPolarHBondContact CB-OE1 3.4Å; T465-E529 PolarHBondContact N-OE1 3.24Å; T465-E529 PolarHBondContact OG1-OE1 2.9Å
466P98.1Very high92.1Very high0 Ų031.6 Ų31.60%015%0.152CC..BIsolated β-bridgetrans-70.2145.9180-21.536.9000111.2W160 G464 L498 R500 I503 R519 F524W160-P466 PolarHBondContact NE1-O 2.96Å; G464-P466 VanDerWaalsContact O-CD 3.26Å; G464-P466 WeakPolarHBondContact O-CD 3.43Å; P466-L498 WeakPolarHBondContact CD-O 3.48Å; P466-L498 WeakPolarHBondContact CG-O 3.39Å; P466-R500 HydrophobicContact CB-CG 4.28Å; P466-R500 HydrophobicContact CG-CG 3.76Å; P466-I503 HydrophobicContact CB-CD1 3.85Å; P466-I503 HydrophobicContact CG-CD1 3.89Å; P466-I503 HydrophobicContact CG-CG1 4.44Å; P466-R519 VanDerWaalsContact CB-NH1 3.34Å; P466-F524 WeakPolarHBondContact O-CE2 3.09Å
467I98.3Very high92.5Very high0 Ų032.2 Ų32.20%015%0.154CC..PPolyproline II helixtrans-74.8127.4175.4-57.5-178.6000108.8F163 L469 R519 I520 E522 F524F163-I467 HydrophobicContact CD1-CG2 4.42Å; F163-I467 HydrophobicContact CE1-CG2 3.78Å; F163-I467 HydrophobicContact CE2-CG2 4.16Å; F163-I467 HydrophobicContact CZ-CG2 3.61Å; I467-L469 HydrophobicContact CG2-CD1 3.99Å; I467-L469 HydrophobicContact CG2-CG 3.98Å; I467-L469 PolarHBondContact O-N 2.83Å; I467-R519 PolarHBondContact O-NH1 2.89Å; I467-I520 HydrophobicContact CB-CD1 3.91Å; I467-I520 HydrophobicContact CB-CG1 4.37Å; I467-I520 HydrophobicContact CD1-CD1 4.5Å; I467-I520 HydrophobicContact CG2-CD1 3.84Å; I467-E522 HydrophobicContact CD1-CB 4.16Å; I467-E522 PolarHBondContact N-O 3Å; I467-F524 HydrophobicContact CB-CE2 4.29Å; I467-F524 HydrophobicContact CB-CZ 4.18Å; I467-F524 HydrophobicContact CD1-CD1 4.28Å; I467-F524 HydrophobicContact CD1-CE1 4.32Å; I467-F524 HydrophobicContact CG1-CD1 3.89Å; I467-F524 HydrophobicContact CG1-CD2 4.01Å; I467-F524 HydrophobicContact CG1-CE1 3.84Å; I467-F524 HydrophobicContact CG1-CE2 3.98Å; I467-F524 HydrophobicContact CG1-CG 3.96Å; I467-F524 HydrophobicContact CG1-CZ 3.87Å; I467-F524 HydrophobicContact CG2-CE1 4.4Å; I467-F524 HydrophobicContact CG2-CZ 4.06Å
468P97.9Very high92.7Very high0 Ų034.1 Ų34.10%017%0.165CC..  trans-86.351-169.836.1-38.6000113.5W160 F163 W470 C480 V481W160-P468 HydrophobicContact CB-CG 4.14Å; W160-P468 HydrophobicContact CD2-CB 3.51Å; W160-P468 HydrophobicContact CD2-CG 3.96Å; W160-P468 HydrophobicContact CE3-CB 3.76Å; W160-P468 HydrophobicContact CG-CB 3.89Å; W160-P468 HydrophobicContact CG-CG 3.77Å; W160-P468 HydrophobicContact CH2-CB 4.16Å; W160-P468 HydrophobicContact CZ2-CB 3.93Å; W160-P468 HydrophobicContact CZ3-CB 4.09Å; F163-P468 HydrophobicContact CD1-CG 3.76Å; F163-P468 HydrophobicContact CE1-CG 4.32Å; P468-W470 HydrophobicContact CB-CZ3 4.01Å; P468-C480 WeakPolarHBondContact O-CA 3.47Å; P468-V481 HydrophobicContact CB-CB 4.29Å; P468-V481 WeakPolarHBondContact CB-O 3.37Å; P468-V481 WeakPolarHBondContact CG-O 3.38Å; P468-V481 PolarHBondContact O-N 3.36Å
469L98.3Very high93Very high0 Ų035.6 Ų35.60%017%0.174CC..EExtended strand (participates in β ladder)trans-109.9118177.5-67.5175.1000110.8F163 Y167 W415 I467 V478 V479 C480 R519 I520F163-L469 HydrophobicContact CE1-CD1 4.04Å; F163-L469 HydrophobicContact CE1-CD2 3.85Å; F163-L469 HydrophobicContact CE1-CG 3.73Å; F163-L469 HydrophobicContact CZ-CD1 3.8Å; F163-L469 HydrophobicContact CZ-CD2 4.36Å; F163-L469 HydrophobicContact CZ-CG 4.04Å; Y167-L469 HydrophobicContact CD2-CD2 4.13Å; Y167-L469 HydrophobicContact CE2-CD2 3.91Å; W415-L469 HydrophobicContact CD2-CD1 3.76Å; W415-L469 HydrophobicContact CE3-CD1 3.77Å; W415-L469 HydrophobicContact CH2-CD1 3.47Å; W415-L469 VanDerWaalsContact CH2-CD1 3.47Å; W415-L469 HydrophobicContact CZ2-CD1 3.46Å; W415-L469 VanDerWaalsContact CZ2-CD1 3.46Å; W415-L469 HydrophobicContact CZ3-CD1 3.63Å; I467-L469 HydrophobicContact CG2-CD1 3.99Å; I467-L469 HydrophobicContact CG2-CG 3.98Å; I467-L469 PolarHBondContact O-N 2.83Å; L469-V478 HydrophobicContact CB-CG1 4.44Å; L469-V478 HydrophobicContact CD2-CG1 3.7Å; L469-V479 WeakPolarHBondContact CA-O 3.25Å; L469-C480 HydrophobicContact CD2-CB 3.59Å; L469-R519 CarbonylContact O-C 3.41Å; L469-R519 VanDerWaalsContact O-CA 3.3Å; L469-R519 WeakPolarHBondContact O-CA 3.4Å; L469-I520 HydrophobicContact CB-CD1 3.95Å; L469-I520 HydrophobicContact CB-CG1 4.09Å; L469-I520 HydrophobicContact CB-CG2 4.38Å; L469-I520 HydrophobicContact CD1-CD1 3.96Å; L469-I520 HydrophobicContact CG-CD1 4.43Å; L469-I520 PolarHBondContact O-N 3.4Å
470W97.9Very high93.7Very high0 Ų032.5 Ų32.50%016%0.164CC..EExtended strand (participates in β ladder)trans-99.5126.2169.6-80.5-105.6000109.5W160 P468 V478 V479 V481 L487 L506 I508 L517 R518 R519W160-W470 AromaticContact CH2-CH2 3.87Å; W160-W470 HydrophobicContact CH2-CH2 3.87Å; W160-W470 HydrophobicContact CH2-CZ3 4.37Å; W160-W470 HydrophobicContact CZ3-CH2 4.42Å; P468-W470 HydrophobicContact CB-CZ3 4.01Å; W470-V478 CarbonylContact O-C 3.59Å; W470-V478 WeakPolarHBondContact O-CA 3.49Å; W470-V479 HydrophobicContact CB-CB 4.45Å; W470-V479 PolarHBondContact N-O 2.93Å; W470-V479 PolarHBondContact O-N 3.28Å; W470-V481 HydrophobicContact CE3-CB 4.31Å; W470-V481 HydrophobicContact CE3-CG2 3.65Å; W470-V481 HydrophobicContact CZ3-CB 3.86Å; W470-V481 HydrophobicContact CZ3-CG2 3.64Å; W470-L487 HydrophobicContact CH2-CD1 3.43Å; W470-L487 VanDerWaalsContact CH2-CD1 3.43Å; W470-L487 HydrophobicContact CH2-CD2 4.49Å; W470-L487 HydrophobicContact CZ2-CD1 3.54Å; W470-L487 HydrophobicContact CZ3-CD1 4.08Å; W470-L506 PolarHBondContact NE1-O 2.85Å; W470-I508 HydrophobicContact CB-CD1 3.78Å; W470-I508 HydrophobicContact CB-CG1 4.38Å; W470-I508 HydrophobicContact CD2-CD1 3.78Å; W470-I508 HydrophobicContact CD2-CG1 4.44Å; W470-I508 HydrophobicContact CE3-CD1 4.27Å; W470-I508 HydrophobicContact CG-CD1 3.52Å; W470-I508 HydrophobicContact CG-CG1 3.94Å; W470-L517 HydrophobicContact CB-CB 3.92Å; W470-R518 CarbonylContact C-O 3.56Å; W470-R518 WeakPolarHBondContact CA-O 3.44Å; W470-R519 HydrophobicContact CD2-CB 4.26Å; W470-R519 HydrophobicContact CD2-CG 4.34Å; W470-R519 HydrophobicContact CE3-CG 4.47Å; W470-R519 HydrophobicContact CH2-CG 4.18Å; W470-R519 HydrophobicContact CZ2-CB 4.08Å; W470-R519 HydrophobicContact CZ2-CG 4.05Å; W470-R519 HydrophobicContact CZ3-CG 4.4Å
471V96.7Very high94.3Very high10 Ų1029.9 Ų29.96%0.06115%0.15CC..EExtended strand (participates in β ladder)trans-127.4151.5-170.4-57.50000111.7F475 E477 V478 L517 R518 I520V471-F475 HydrophobicContact CB-CD1 3.94Å; V471-F475 HydrophobicContact CB-CE1 4.13Å; V471-F475 HydrophobicContact CB-CG 4.48Å; V471-F475 HydrophobicContact CG1-CD1 3.93Å; V471-F475 HydrophobicContact CG1-CE1 4.07Å; V471-F475 HydrophobicContact CG2-CD1 3.96Å; V471-F475 HydrophobicContact CG2-CE1 3.68Å; V471-F475 HydrophobicContact CG2-CE2 4.49Å; V471-F475 HydrophobicContact CG2-CG 4.5Å; V471-F475 HydrophobicContact CG2-CZ 3.96Å; V471-E477 WeakPolarHBondContact CA-O 3.3Å; V471-V478 HydrophobicContact CG1-CB 4.39Å; V471-V478 HydrophobicContact CG1-CG1 4.05Å; V471-V478 HydrophobicContact CG1-CG2 3.96Å; V471-L517 CarbonylContact O-C 3.44Å; V471-L517 VanDerWaalsContact O-CA 3.27Å; V471-L517 WeakPolarHBondContact O-CA 3.48Å; V471-R518 PolarHBondContact N-O 3.31Å; V471-R518 PolarHBondContact O-N 3.43Å; V471-I520 HydrophobicContact CB-CG2 4.43Å; V471-I520 HydrophobicContact CG1-CG2 3.7Å; V471-I520 HydrophobicContact CG2-CG2 3.78Å
472S95.3Very high94.9Very high2 Ų228.4 Ų28.41%0.01415%0.146CC..  trans-70.7160.3164.656.70000110.6D474 F475 E476 E477S472-D474 WeakPolarHBondContact CB-OD1 3.25Å; S472-D474 PolarHBondContact O-N 3.12Å; S472-D474 VanDerWaalsContact O-N 3.15Å; S472-D474 PolarHBondContact OG-OD1 3.04Å; S472-F475 PolarHBondContact O-N 3.38Å; S472-F475 PolarHBondContact OG-N 2.86Å; S472-E476 PolarHBondContact OG-N 3.03Å; S472-E477 PolarHBondContact N-O 3.12Å; S472-E477 PolarHBondContact OG-N 2.89Å; S472-E477 VanDerWaalsContact OG-N 3.1Å
473D89.8Confident95.3Very high130 Ų13027.5 Ų27.570%0.69515%0.145SC*.THydrogen-bonded Turntrans-59.6-28.1-179.6-65.6-23.5000112.5R518D473-R518 IonicContact OD1-NH1 3.19Å; D473-R518 PolarHBondContact OD1-NH1 3.42Å; D473-R518 IonicContact OD2-NH1 3.27Å
474D86.6Confident95.4Very high84 Ų8428.9 Ų28.945%0.44915%0.152SC..THydrogen-bonded Turntrans-91.4-1.517560.321.9000114.8S472 E476 K514S472-D474 WeakPolarHBondContact CB-OD1 3.25Å; S472-D474 PolarHBondContact O-N 3.12Å; S472-D474 VanDerWaalsContact O-N 3.15Å; S472-D474 PolarHBondContact OG-OD1 3.04Å; D474-E476 HydrophobicContact CB-CG 4.37Å; D474-E476 PolarHBondContact O-N 3.21Å; D474-E476 PolarHBondContact OD1-N 3.41Å; D474-E476 VanDerWaalsContact OD1-N 3.07Å; D474-K514 IonicContact OD1-NZ 2.76Å; D474-K514 PolarHBondContact OD1-NZ 2.98Å; D474-K514 IonicContact OD2-NZ 3.46Å; D474-K514 PolarHBondContact OD2-NZ 3.27Å
475F88.6Confident95.6Very high70 Ų7032 Ų3231%0.30718%0.177SC..SBendtrans60.611.9-177.4-72.7-101000116.5R174 V471 S472 I520R174-F475 VanDerWaalsContact CZ-CE1 3.43Å; R174-F475 VanDerWaalsContact NH1-CD2 3.32Å; R174-F475 VanDerWaalsContact NH2-CZ 3.34Å; V471-F475 HydrophobicContact CB-CD1 3.94Å; V471-F475 HydrophobicContact CB-CE1 4.13Å; V471-F475 HydrophobicContact CB-CG 4.48Å; V471-F475 HydrophobicContact CG1-CD1 3.93Å; V471-F475 HydrophobicContact CG1-CE1 4.07Å; V471-F475 HydrophobicContact CG2-CD1 3.96Å; V471-F475 HydrophobicContact CG2-CE1 3.68Å; V471-F475 HydrophobicContact CG2-CE2 4.49Å; V471-F475 HydrophobicContact CG2-CG 4.5Å; V471-F475 HydrophobicContact CG2-CZ 3.96Å; S472-F475 PolarHBondContact O-N 3.38Å; S472-F475 PolarHBondContact OG-N 2.86Å; F475-I520 HydrophobicContact CE1-CG2 4.03Å
476E89.5Confident95.5Very high154 Ų15434.5 Ų34.572%0.7219%0.189SC*.SBendtrans-79.1-22.8177.1-55.8179.5171.700112.8S472 D474 K514S472-E476 PolarHBondContact OG-N 3.03Å; D474-E476 HydrophobicContact CB-CG 4.37Å; D474-E476 PolarHBondContact O-N 3.21Å; D474-E476 PolarHBondContact OD1-N 3.41Å; D474-E476 VanDerWaalsContact OD1-N 3.07Å; E476-K514 VanDerWaalsContact CB-NZ 3.31Å; E476-K514 IonicContact OE2-NZ 3.28Å; E476-K514 PolarHBondContact OE2-NZ 3.44Å
477E93.9Very high95.5Very high18 Ų1834.5 Ų34.58%0.08419%0.189CC..SBendtrans-110.3127.2170.7-172.9178.4-173.900109.6V471 S472 S510 R511 C512 K514 L517V471-E477 WeakPolarHBondContact CA-O 3.3Å; S472-E477 PolarHBondContact N-O 3.12Å; S472-E477 PolarHBondContact OG-N 2.89Å; S472-E477 VanDerWaalsContact OG-N 3.1Å; E477-S510 VanDerWaalsContact OE2-CB 3.31Å; E477-S510 WeakPolarHBondContact OE2-CB 3.27Å; E477-S510 PolarHBondContact OE2-OG 3.17Å; E477-R511 PolarHBondContact OE1-N 2.77Å; E477-C512 WeakPolarHBondContact OE2-CB 3.37Å; E477-K514 HydrophobicContact CB-CD 4.37Å; E477-L517 HydrophobicContact CB-CD2 4.19Å; E477-L517 HydrophobicContact CG-CD1 4.14Å; E477-L517 HydrophobicContact CG-CD2 4.1Å
478V95.1Very high95.4Very high41 Ų4138.3 Ų38.325%0.24821%0.206CC..EExtended strand (participates in β ladder)trans-135.2126.9-179.6-177.30000109.4Y167 L469 W470 V471Y167-V478 HydrophobicContact CE2-CG1 4.44Å; Y167-V478 WeakPolarHBondContact OH-CG1 3.4Å; L469-V478 HydrophobicContact CB-CG1 4.44Å; L469-V478 HydrophobicContact CD2-CG1 3.7Å; W470-V478 CarbonylContact O-C 3.59Å; W470-V478 WeakPolarHBondContact O-CA 3.49Å; V471-V478 HydrophobicContact CG1-CB 4.39Å; V471-V478 HydrophobicContact CG1-CG1 4.05Å; V471-V478 HydrophobicContact CG1-CG2 3.96Å
479V97.1Very high95.4Very high35 Ų3546.2 Ų46.221%0.21224%0.243CC..EExtended strand (participates in β ladder)trans-113.6119.9173.8175.90000108.7L469 W470 V481 I508 L517L469-V479 WeakPolarHBondContact CA-O 3.25Å; W470-V479 HydrophobicContact CB-CB 4.45Å; W470-V479 PolarHBondContact N-O 2.93Å; W470-V479 PolarHBondContact O-N 3.28Å; V479-V481 HydrophobicContact CG1-CG2 4.31Å; V479-I508 HydrophobicContact CG1-CD1 4.15Å; V479-L517 HydrophobicContact CB-CD1 4.24Å; V479-L517 HydrophobicContact CG2-CD1 3.52Å
480C98.1Very high95.3Very high10 Ų1047.7 Ų47.77%0.06825%0.252CS..EExtended strand (participates in β ladder)trans-99.9110.2175.8-173.50000110.6K164 Y167 P468 L469K164-C480 WeakPolarHBondContact CE-O 3.14Å; Y167-C480 HydrophobicContact CD1-CB 3.6Å; Y167-C480 HydrophobicContact CD2-CB 4.4Å; Y167-C480 HydrophobicContact CE1-CB 3.83Å; Y167-C480 HydrophobicContact CG-CB 3.91Å; P468-C480 WeakPolarHBondContact O-CA 3.47Å; L469-C480 HydrophobicContact CD2-CB 3.59Å
481V98.1Very high95.1Very high0 Ų049 Ų490%026%0.26CS..  trans-87.2137.3179.8-178.90000110.1W160 P468 W470 V479 S483 E486 L487 V490 I508W160-V481 HydrophobicContact CE3-CG1 4.22Å; W160-V481 HydrophobicContact CZ3-CB 4.42Å; W160-V481 HydrophobicContact CZ3-CG1 3.98Å; P468-V481 HydrophobicContact CB-CB 4.29Å; P468-V481 WeakPolarHBondContact CB-O 3.37Å; P468-V481 WeakPolarHBondContact CG-O 3.38Å; P468-V481 PolarHBondContact O-N 3.36Å; W470-V481 HydrophobicContact CE3-CB 4.31Å; W470-V481 HydrophobicContact CE3-CG2 3.65Å; W470-V481 HydrophobicContact CZ3-CB 3.86Å; W470-V481 HydrophobicContact CZ3-CG2 3.64Å; V479-V481 HydrophobicContact CG1-CG2 4.31Å; V481-S483 WeakPolarHBondContact CG1-O 3.46Å; V481-E486 HydrophobicContact CG1-CB 4.03Å; V481-E486 HydrophobicContact CG1-CG 4.03Å; V481-L487 HydrophobicContact CG1-CB 3.92Å; V481-L487 HydrophobicContact CG1-CD1 4.29Å; V481-L487 HydrophobicContact CG2-CD1 4.35Å; V481-V490 HydrophobicContact CG2-CG2 4.36Å; V481-I508 HydrophobicContact CG2-CD1 4.16Å
482G97.6Very high95Very high4 Ų451.7 Ų51.74%0.04129%0.29CS..  trans-112.9-8.4-174.400000115.6W161 E486W161-G482 WeakPolarHBondContact CA-O 3.24Å; W161-G482 PolarHBondContact N-O 3.3Å; G482-E486 WeakPolarHBondContact CA-OE2 3.25Å; G482-E486 PolarHBondContact N-OE2 2.93Å
483S98Very high95Very high18 Ų1854.7 Ų54.713%0.12631%0.308CS..SBendtrans-154.4164.6-18069.70000112.4E157 V481 A485 E486 L487E157-S483 WeakPolarHBondContact OE1-CB 3.33Å; V481-S483 WeakPolarHBondContact CG1-O 3.46Å; S483-A485 VanDerWaalsContact C-N 3.3Å; S483-E486 PolarHBondContact O-N 3.4Å; S483-E486 WeakPolarHBondContact OG-CB 3.36Å; S483-E486 PolarHBondContact OG-N 3.15Å; S483-L487 PolarHBondContact O-N 3.49Å
484M96.8Very high95.3Very high30 Ų3055.8 Ų55.815%0.14831%0.307CS..Hα-helixtrans-65.8-35.6172-64.5-177.3-167.100111.4P153 E157 L487 E488 V495 L498P153-M484 HydrophobicContact CB-CE 3.39Å; P153-M484 VanDerWaalsContact O-CE 3.23Å; P153-M484 WeakPolarHBondContact O-CE 3.33Å; E157-M484 HydrophobicContact CB-CE 4.16Å; E157-M484 HydrophobicContact CG-CG 4.17Å; E157-M484 WeakPolarHBondContact OE1-CB 3.34Å; E157-M484 PolarHBondContact OE1-N 3.19Å; M484-L487 WeakPolarHBondContact O-CB 3.27Å; M484-L487 PolarHBondContact O-N 3.46Å; M484-E488 PolarHBondContact O-N 2.92Å; M484-V495 HydrophobicContact CB-CG2 4.45Å; M484-V495 HydrophobicContact CG-CG2 4.38Å; M484-L498 HydrophobicContact CE-CD1 3.56Å; M484-L498 HydrophobicContact CE-CD2 4.41Å; M484-L498 HydrophobicContact CE-CG 3.59Å; M484-L498 HydrophobicContact CG-CD1 4.01Å; M484-L498 HydrophobicContact CG-CD2 3.93Å; M484-L498 HydrophobicContact CG-CG 4.08Å; M484-L498 HydrophobicContact SD-CG 4.48Å
485A97.1Very high95.6Very high65 Ų6552.8 Ų52.854%0.53729%0.291SS..Hα-helixtrans-64.9-43176.700000111.8S483 L487 E488 E489S483-A485 VanDerWaalsContact C-N 3.3Å; A485-L487 VanDerWaalsContact C-N 3.32Å; A485-E488 PolarHBondContact O-N 2.82Å; A485-E489 PolarHBondContact O-N 2.99Å
486E97.5Very high95.9Very high54 Ų5455 Ų5525%0.25231%0.311SS..Hα-helixtrans-64.1-39.1173.8-176179-174.200110.7V481 G482 S483 E489 V490V481-E486 HydrophobicContact CG1-CB 4.03Å; V481-E486 HydrophobicContact CG1-CG 4.03Å; G482-E486 WeakPolarHBondContact CA-OE2 3.25Å; G482-E486 PolarHBondContact N-OE2 2.93Å; S483-E486 PolarHBondContact O-N 3.4Å; S483-E486 WeakPolarHBondContact OG-CB 3.36Å; S483-E486 PolarHBondContact OG-N 3.15Å; E486-E489 PolarHBondContact O-N 3.4Å; E486-V490 WeakPolarHBondContact O-CG1 3.21Å; E486-V490 VanDerWaalsContact O-CG2 3.28Å; E486-V490 WeakPolarHBondContact O-CG2 3.48Å; E486-V490 PolarHBondContact O-N 3.3Å
487L97.1Very high96.1Very high0 Ų049 Ų490%028%0.283CS..Hα-helixtrans-62.6-44175.2-169.764.9000112.2W160 W470 V481 S483 M484 A485 E489 V490 T491 V495 L498 I503 L506W160-L487 HydrophobicContact CH2-CD2 3.98Å; W160-L487 HydrophobicContact CZ3-CB 4.43Å; W160-L487 HydrophobicContact CZ3-CD2 4.05Å; W470-L487 HydrophobicContact CH2-CD1 3.43Å; W470-L487 VanDerWaalsContact CH2-CD1 3.43Å; W470-L487 HydrophobicContact CH2-CD2 4.49Å; W470-L487 HydrophobicContact CZ2-CD1 3.54Å; W470-L487 HydrophobicContact CZ3-CD1 4.08Å; V481-L487 HydrophobicContact CG1-CB 3.92Å; V481-L487 HydrophobicContact CG1-CD1 4.29Å; V481-L487 HydrophobicContact CG2-CD1 4.35Å; S483-L487 PolarHBondContact O-N 3.49Å; M484-L487 WeakPolarHBondContact O-CB 3.27Å; M484-L487 PolarHBondContact O-N 3.46Å; A485-L487 VanDerWaalsContact C-N 3.32Å; L487-E489 VanDerWaalsContact C-N 3.32Å; L487-E489 PolarHBondContact O-N 3.13Å; L487-V490 HydrophobicContact CD1-CG2 4.47Å; L487-V490 PolarHBondContact O-N 3Å; L487-T491 HydrophobicContact CD1-CG2 3.73Å; L487-T491 HydrophobicContact CG-CG2 4.2Å; L487-T491 WeakPolarHBondContact O-CB 3.48Å; L487-T491 WeakPolarHBondContact O-CG2 3.44Å; L487-T491 PolarHBondContact O-N 2.96Å; L487-T491 PolarHBondContact O-OG1 2.96Å; L487-V495 HydrophobicContact CD2-CG1 4.43Å; L487-V495 HydrophobicContact CD2-CG2 3.85Å; L487-L498 HydrophobicContact CD2-CD2 4.36Å; L487-I503 HydrophobicContact CD2-CG2 4.33Å; L487-L506 HydrophobicContact CD2-CD1 4.18Å
488E96.9Very high96.3Very high80 Ų8048.1 Ų48.137%0.37428%0.279SS..Hα-helixtrans-61.4-41.6176.3-178.3174179.300110.9M484 A485 G492 V493 K494M484-E488 PolarHBondContact O-N 2.92Å; A485-E488 PolarHBondContact O-N 2.82Å; E488-G492 WeakPolarHBondContact O-CA 3.34Å; E488-G492 PolarHBondContact O-N 3.21Å; E488-V493 WeakPolarHBondContact CA-O 3.29Å; E488-K494 HydrophobicContact CG-CB 4.25Å; E488-K494 WeakPolarHBondContact OE2-CG 3.5Å
489E96.6Very high96.4Very high166 Ų16646.1 Ų46.178%0.77627%0.268SS*.Hα-helixtrans-61.7-46177.1-174.4-177.1169.300112.3A485 E486 L487A485-E489 PolarHBondContact O-N 2.99Å; E486-E489 PolarHBondContact O-N 3.4Å; L487-E489 VanDerWaalsContact C-N 3.32Å; L487-E489 PolarHBondContact O-N 3.13Å
490V96Very high96.4Very high30 Ų3045.5 Ų45.518%0.18226%0.261CS..Hα-helixtrans-84.6-21.1-173.7-59.20000114.2V481 E486 L487 I508V481-V490 HydrophobicContact CG2-CG2 4.36Å; E486-V490 WeakPolarHBondContact O-CG1 3.21Å; E486-V490 VanDerWaalsContact O-CG2 3.28Å; E486-V490 WeakPolarHBondContact O-CG2 3.48Å; E486-V490 PolarHBondContact O-N 3.3Å; L487-V490 HydrophobicContact CD1-CG2 4.47Å; L487-V490 PolarHBondContact O-N 3Å; V490-I508 HydrophobicContact CB-CD1 4.14Å; V490-I508 HydrophobicContact CB-CG1 4.31Å; V490-I508 HydrophobicContact CB-CG2 4.3Å; V490-I508 HydrophobicContact CG2-CD1 3.46Å; V490-I508 VanDerWaalsContact CG2-CD1 3.46Å; V490-I508 HydrophobicContact CG2-CG1 3.86Å
491T95.5Very high96.3Very high28 Ų2847.6 Ų47.617%0.17227%0.27CS..Hα-helixtrans-106.3-20.6179.366.30000113.5L487 V493 L506 I508L487-T491 HydrophobicContact CD1-CG2 3.73Å; L487-T491 HydrophobicContact CG-CG2 4.2Å; L487-T491 WeakPolarHBondContact O-CB 3.48Å; L487-T491 WeakPolarHBondContact O-CG2 3.44Å; L487-T491 PolarHBondContact O-N 2.96Å; L487-T491 PolarHBondContact O-OG1 2.96Å; T491-V493 PolarHBondContact O-N 3.33Å; T491-V493 PolarHBondContact OG1-N 3.17Å; T491-L506 HydrophobicContact CG2-CB 4.14Å; T491-I508 HydrophobicContact CG2-CG1 4.04Å
492G94.6Very high96.2Very high67 Ų6751 Ų5169%0.69129%0.288SS*.SBendtrans73.18.4-170.200000114.4E488E488-G492 WeakPolarHBondContact O-CA 3.34Å; E488-G492 PolarHBondContact O-N 3.21Å
493V95.2Very high96.1Very high64 Ų6450.8 Ų50.839%0.38829%0.286SS..  trans-118.5122.7-176-178.10000110.5E488 T491 L506E488-V493 WeakPolarHBondContact CA-O 3.29Å; T491-V493 PolarHBondContact O-N 3.33Å; T491-V493 PolarHBondContact OG1-N 3.17Å; V493-L506 HydrophobicContact CB-CD2 4.02Å; V493-L506 HydrophobicContact CG1-CD2 4.04Å; V493-L506 HydrophobicContact CG2-CD2 4.03Å
494K94.9Very high96Very high154 Ų15452.4 Ų52.467%0.6729%0.293SS*.  trans-77.5126.5172.8-172.6166.7-174167.70111E488E488-K494 HydrophobicContact CG-CB 4.25Å; E488-K494 WeakPolarHBondContact OE2-CG 3.5Å
495V93.3Very high95.9Very high20 Ų2055.6 Ų55.612%0.12132%0.319CS..  trans-115.2148.2177.4-62.20000111.3M484 L487 L498 I503 L506M484-V495 HydrophobicContact CB-CG2 4.45Å; M484-V495 HydrophobicContact CG-CG2 4.38Å; L487-V495 HydrophobicContact CD2-CG1 4.43Å; L487-V495 HydrophobicContact CD2-CG2 3.85Å; V495-L498 HydrophobicContact CG2-CD2 4.02Å; V495-I503 HydrophobicContact CG1-CG2 4.33Å; V495-L506 HydrophobicContact CG1-CD1 3.76Å
496T93.8Very high95.9Very high117 Ų11753.4 Ų53.472%0.71830%0.298SS*.SBendtrans-118-10.2176.853.90000113P153P153-T496 WeakPolarHBondContact CB-O 3.49Å; P153-T496 VanDerWaalsContact CG-O 3.29Å; P153-T496 WeakPolarHBondContact CG-O 3.42Å
497D95.4Very high95.9Very high27 Ų2753.7 Ų53.714%0.14430%0.303CS..  trans-140.3126.7179.7-177.2-29.6000107.4R121 H499 N502R121-D497 IonicContact CZ-OD2 3.27Å; R121-D497 IonicContact NH1-OD2 3.35Å; R121-D497 PolarHBondContact NH1-OD2 3.22Å; R121-D497 IonicContact NH2-OD1 3.78Å; R121-D497 IonicContact NH2-OD2 3.88Å; R121-D497 PolarHBondContact NH2-OD2 3.02Å; D497-H499 WeakPolarHBondContact OD1-CB 3.34Å; D497-H499 IonicContact OD1-CE1 3.29Å; D497-H499 IonicContact OD1-CG 2.85Å; D497-H499 PolarHBondContact OD1-N 3.49Å; D497-H499 IonicContact OD1-ND1 3.81Å; D497-H499 PolarHBondContact OD1-ND1 3.05Å; D497-H499 IonicContact OD2-ND1 3.78Å; D497-N502 WeakPolarHBondContact CB-ND2 3.37Å; D497-N502 WeakPolarHBondContact O-CB 3.31Å; D497-N502 PolarHBondContact OD1-ND2 2.76Å
498L97.1Very high95.9Very high0 Ų054.1 Ų54.10%031%0.305CS..  trans-91.13.4-175.2-73178.6000113.8M156 E157 W160 P466 M484 L487 V495 I503M156-L498 HydrophobicContact CB-CB 4.39Å; M156-L498 HydrophobicContact CB-CD1 4.03Å; M156-L498 HydrophobicContact CE-CB 3.73Å; M156-L498 HydrophobicContact SD-CB 4.27Å; E157-L498 HydrophobicContact CB-CD1 4.23Å; W160-L498 HydrophobicContact CD2-CD1 4.08Å; W160-L498 HydrophobicContact CE3-CD1 4.3Å; W160-L498 HydrophobicContact CE3-CD2 4.4Å; W160-L498 HydrophobicContact CH2-CD2 3.5Å; W160-L498 VanDerWaalsContact CH2-CD2 3.5Å; W160-L498 HydrophobicContact CH2-CG 4.49Å; W160-L498 HydrophobicContact CZ2-CB 4.4Å; W160-L498 HydrophobicContact CZ2-CD1 4.32Å; W160-L498 HydrophobicContact CZ2-CD2 3.85Å; W160-L498 HydrophobicContact CZ2-CG 4.41Å; W160-L498 HydrophobicContact CZ3-CD2 3.81Å; P466-L498 WeakPolarHBondContact CD-O 3.48Å; P466-L498 WeakPolarHBondContact CG-O 3.39Å; M484-L498 HydrophobicContact CE-CD1 3.56Å; M484-L498 HydrophobicContact CE-CD2 4.41Å; M484-L498 HydrophobicContact CE-CG 3.59Å; M484-L498 HydrophobicContact CG-CD1 4.01Å; M484-L498 HydrophobicContact CG-CD2 3.93Å; M484-L498 HydrophobicContact CG-CG 4.08Å; M484-L498 HydrophobicContact SD-CG 4.48Å; L487-L498 HydrophobicContact CD2-CD2 4.36Å; V495-L498 HydrophobicContact CG2-CD2 4.02Å; L498-I503 HydrophobicContact CD2-CG2 4.4Å; L498-I503 VanDerWaalsContact O-CD1 3.26Å; L498-I503 WeakPolarHBondContact O-CD1 3.39Å
499H97.6Very high95.8Very high0 Ų054.6 Ų54.60%032%0.315CS..SBendtrans-66.9156.5178.8-67.978.8000111.9H88 R121 M156 W463 D497 E501 N502 I503H88-H499 AromaticContact CE1-NE2 3.78Å; H88-H499 AromaticContact NE2-CD2 3.85Å; H88-H499 AromaticContact NE2-CE1 3.91Å; H88-H499 AromaticContact NE2-NE2 3Å; H88-H499 PolarHBondContact NE2-NE2 2.9Å; R121-H499 PolarHBondContact NH2-ND1 3.17Å; M156-H499 PolarHBondContact SD-CE1 2.96Å; W463-H499 AromaticContact CE3-CD2 3.73Å; W463-H499 AromaticContact CH2-CD2 3.82Å; W463-H499 AromaticContact CH2-NE2 3.35Å; W463-H499 VanDerWaalsContact CH2-NE2 3.35Å; W463-H499 WeakPolarHBondContact CH2-NE2 3.44Å; W463-H499 AromaticContact CZ3-CD2 3.27Å; W463-H499 WeakPolarHBondContact CZ3-CD2 3.28Å; W463-H499 AromaticContact CZ3-NE2 3.35Å; W463-H499 WeakPolarHBondContact CZ3-NE2 3.49Å; D497-H499 WeakPolarHBondContact OD1-CB 3.34Å; D497-H499 IonicContact OD1-CE1 3.29Å; D497-H499 IonicContact OD1-CG 2.85Å; D497-H499 PolarHBondContact OD1-N 3.49Å; D497-H499 IonicContact OD1-ND1 3.81Å; D497-H499 PolarHBondContact OD1-ND1 3.05Å; D497-H499 IonicContact OD2-ND1 3.78Å; H499-E501 VanDerWaalsContact C-N 3.28Å; H499-E501 VanDerWaalsContact CB-OE2 3.32Å; H499-E501 WeakPolarHBondContact CB-OE2 3.25Å; H499-E501 PolarHBondContact O-N 2.88Å; H499-E501 VanDerWaalsContact O-N 3.15Å; H499-N502 PolarHBondContact O-N 3.39Å; H499-I503 PolarHBondContact O-N 3.18Å
500R96.6Very high95.7Very high22 Ų2247.6 Ų47.68%0.08329%0.285CS..Hα-helixtrans-48.9-44.8-172.8-71-16860.4-173-6.3114I113 R461 Y462 P466 N502 I503 D504 T521 V523I113-R500 HydrophobicContact CG2-CB 4.3Å; R461-R500 PolarHBondContact O-NH1 3.3Å; Y462-R500 WeakPolarHBondContact O-CD 3.39Å; P466-R500 HydrophobicContact CB-CG 4.28Å; P466-R500 HydrophobicContact CG-CG 3.76Å; R500-N502 PolarHBondContact O-N 2.99Å; R500-N502 VanDerWaalsContact O-N 3.08Å; R500-I503 PolarHBondContact O-N 3.2Å; R500-D504 IonicContact CZ-OD2 2.88Å; R500-D504 IonicContact NE-OD1 3.33Å; R500-D504 IonicContact NE-OD2 3.59Å; R500-D504 PolarHBondContact NE-OD2 3.46Å; R500-D504 IonicContact NH2-OD2 3.98Å; R500-D504 PolarHBondContact NH2-OD2 3.28Å; R500-D504 VanDerWaalsContact O-CB 3.26Å; R500-D504 WeakPolarHBondContact O-CB 3.36Å; R500-D504 VanDerWaalsContact O-CG 3.26Å; R500-D504 PolarHBondContact O-N 2.97Å; R500-T521 PolarHBondContact NE-O 3.28Å; R500-T521 PolarHBondContact NH1-O 3.28Å; R500-V523 HydrophobicContact CG-CG1 3.95Å
501E95.4Very high95.5Very high54 Ų5456.6 Ų56.625%0.25232%0.316SS..Hα-helixtrans-59.8-20.5-178.562.2-91-14400113.9A114 N117 H499A114-E501 HydrophobicContact CB-CB 3.89Å; A114-E501 HydrophobicContact CB-CG 4.29Å; N117-E501 WeakPolarHBondContact CB-OE1 3.4Å; N117-E501 PolarHBondContact ND2-OE2 2.98Å; H499-E501 VanDerWaalsContact C-N 3.28Å; H499-E501 VanDerWaalsContact CB-OE2 3.32Å; H499-E501 WeakPolarHBondContact CB-OE2 3.25Å; H499-E501 PolarHBondContact O-N 2.88Å; H499-E501 VanDerWaalsContact O-N 3.15Å
502N96.3Very high95.2Very high70 Ų7059.5 Ų59.537%0.37434%0.336SS..Hα-helixtrans-101.5-20-178.1-57.4-49.4000113.2D497 H499 R500D497-N502 WeakPolarHBondContact CB-ND2 3.37Å; D497-N502 WeakPolarHBondContact O-CB 3.31Å; D497-N502 PolarHBondContact OD1-ND2 2.76Å; H499-N502 PolarHBondContact O-N 3.39Å; R500-N502 PolarHBondContact O-N 2.99Å; R500-N502 VanDerWaalsContact O-N 3.08Å
503I96.9Very high94.9Very high0 Ų059.7 Ų59.70%034%0.338CS..Hα-helixtrans-124.2-17.6-171.469.5167.2000115.3W160 P466 L487 V495 L498 H499 R500 S505 L506W160-I503 HydrophobicContact CH2-CD1 3.84Å; W160-I503 HydrophobicContact CZ2-CD1 3.58Å; P466-I503 HydrophobicContact CB-CD1 3.85Å; P466-I503 HydrophobicContact CG-CD1 3.89Å; P466-I503 HydrophobicContact CG-CG1 4.44Å; L487-I503 HydrophobicContact CD2-CG2 4.33Å; V495-I503 HydrophobicContact CG1-CG2 4.33Å; L498-I503 HydrophobicContact CD2-CG2 4.4Å; L498-I503 VanDerWaalsContact O-CD1 3.26Å; L498-I503 WeakPolarHBondContact O-CD1 3.39Å; H499-I503 PolarHBondContact O-N 3.18Å; R500-I503 PolarHBondContact O-N 3.2Å; I503-S505 PolarHBondContact O-N 3.27Å; I503-L506 HydrophobicContact CB-CD1 4.29Å; I503-L506 HydrophobicContact CG2-CD1 4.29Å; I503-L506 WeakPolarHBondContact O-CB 3.42Å; I503-L506 PolarHBondContact O-N 2.91Å; I503-L506 VanDerWaalsContact O-N 3.07Å
504D95.1Very high94.6Very high52 Ų5259.6 Ų59.628%0.27833%0.333SS..THydrogen-bonded Turntrans-62.6-25.4-177.7-80.46.1000112.5R500 R519R500-D504 IonicContact CZ-OD2 2.88Å; R500-D504 IonicContact NE-OD1 3.33Å; R500-D504 IonicContact NE-OD2 3.59Å; R500-D504 PolarHBondContact NE-OD2 3.46Å; R500-D504 IonicContact NH2-OD2 3.98Å; R500-D504 PolarHBondContact NH2-OD2 3.28Å; R500-D504 VanDerWaalsContact O-CB 3.26Å; R500-D504 WeakPolarHBondContact O-CB 3.36Å; R500-D504 VanDerWaalsContact O-CG 3.26Å; R500-D504 PolarHBondContact O-N 2.97Å; D504-R519 IonicContact OD1-CZ 3.7Å; D504-R519 IonicContact OD1-NE 3.19Å; D504-R519 PolarHBondContact OD1-NE 3.16Å; D504-R519 IonicContact OD1-NH2 2.7Å; D504-R519 PolarHBondContact OD1-NH2 3.46Å; D504-R519 IonicContact OD2-NH2 2.96Å
505S95.8Very high94.5Very high97 Ų9754.8 Ų54.868%0.67833%0.327SS*.THydrogen-bonded Turntrans-82.8-13.5177.958.10000114.2I503I503-S505 PolarHBondContact O-N 3.27Å
506L96.9Very high94.6Very high19 Ų1956.3 Ų56.310%0.09934%0.336CS..  trans-77.8135.4-177.7-57-179.4000110.7W470 L487 T491 V493 V495 I503W470-L506 PolarHBondContact NE1-O 2.85Å; L487-L506 HydrophobicContact CD2-CD1 4.18Å; T491-L506 HydrophobicContact CG2-CB 4.14Å; V493-L506 HydrophobicContact CB-CD2 4.02Å; V493-L506 HydrophobicContact CG1-CD2 4.04Å; V493-L506 HydrophobicContact CG2-CD2 4.03Å; V495-L506 HydrophobicContact CG1-CD1 3.76Å; I503-L506 HydrophobicContact CB-CD1 4.29Å; I503-L506 HydrophobicContact CG2-CD1 4.29Å; I503-L506 WeakPolarHBondContact O-CB 3.42Å; I503-L506 PolarHBondContact O-N 2.91Å; I503-L506 VanDerWaalsContact O-N 3.07Å
507T97.3Very high94.8Very high60 Ų6050.8 Ų50.837%0.36830%0.302SS..EExtended strand (participates in β ladder)trans-124.3151.8-178.461.90000111.2V516 L517 R518T507-V516 HydrophobicContact CG2-CG2 4.45Å; T507-L517 WeakPolarHBondContact CA-O 3.34Å; T507-L517 WeakPolarHBondContact CB-O 3.41Å; T507-R518 HydrophobicContact CG2-CG 4.18Å
508I96.5Very high94.9Very high9 Ų955 Ų555%0.04632%0.316CS..EExtended strand (participates in β ladder)trans-114.2130.6177.8-60.9177.6000108.2W470 V479 V481 V490 T491 S510 L517W470-I508 HydrophobicContact CB-CD1 3.78Å; W470-I508 HydrophobicContact CB-CG1 4.38Å; W470-I508 HydrophobicContact CD2-CD1 3.78Å; W470-I508 HydrophobicContact CD2-CG1 4.44Å; W470-I508 HydrophobicContact CE3-CD1 4.27Å; W470-I508 HydrophobicContact CG-CD1 3.52Å; W470-I508 HydrophobicContact CG-CG1 3.94Å; V479-I508 HydrophobicContact CG1-CD1 4.15Å; V481-I508 HydrophobicContact CG2-CD1 4.16Å; V490-I508 HydrophobicContact CB-CD1 4.14Å; V490-I508 HydrophobicContact CB-CG1 4.31Å; V490-I508 HydrophobicContact CB-CG2 4.3Å; V490-I508 HydrophobicContact CG2-CD1 3.46Å; V490-I508 VanDerWaalsContact CG2-CD1 3.46Å; V490-I508 HydrophobicContact CG2-CG1 3.86Å; T491-I508 HydrophobicContact CG2-CG1 4.04Å; I508-S510 PolarHBondContact O-N 3.16Å; I508-L517 HydrophobicContact CB-CB 4.3Å; I508-L517 HydrophobicContact CG2-CD1 4.43Å; I508-L517 PolarHBondContact N-O 3.47Å; I508-L517 VanDerWaalsContact N-O 3.11Å; I508-L517 PolarHBondContact O-N 3.29Å
509P94.2Very high94.9Very high90 Ų9055.8 Ų55.858%0.58432%0.319SS*.EExtended strand (participates in β ladder)trans-60128.9172.7-22.533.5000111.4
510S94.6Very high94.8Very high20 Ų2056.1 Ų56.114%0.1432%0.321CS..  trans-64.2134.6177.2164.80000111E477 I508 C512 G513 K514 G515E477-S510 VanDerWaalsContact OE2-CB 3.31Å; E477-S510 WeakPolarHBondContact OE2-CB 3.27Å; E477-S510 PolarHBondContact OE2-OG 3.17Å; I508-S510 PolarHBondContact O-N 3.16Å; S510-C512 VanDerWaalsContact C-N 3.33Å; S510-C512 PolarHBondContact OG-N 2.94Å; S510-C512 VanDerWaalsContact OG-N 3.1Å; S510-G513 PolarHBondContact OG-N 3.08Å; S510-K514 WeakPolarHBondContact OG-CB 3.5Å; S510-K514 PolarHBondContact OG-N 3.05Å; S510-G515 VanDerWaalsContact CB-O 3.3Å; S510-G515 WeakPolarHBondContact CB-O 3.47Å; S510-G515 PolarHBondContact N-O 2.9Å
511R91.8Very high94.6Very high219 Ų21958.8 Ų58.883%0.82634%0.34SS*.THydrogen-bonded Turntrans-83.4-14.7172.5-63.4-177.7179.9-179.40.7112E477E477-R511 PolarHBondContact OE1-N 2.77Å
512C90.3Very high94.5Very high88 Ų8857 Ų5760%0.59533%0.331SS*.THydrogen-bonded Turntrans-10010.2179.4-610000114E477 S510 K514E477-C512 WeakPolarHBondContact OE2-CB 3.37Å; S510-C512 VanDerWaalsContact C-N 3.33Å; S510-C512 PolarHBondContact OG-N 2.94Å; S510-C512 VanDerWaalsContact OG-N 3.1Å; C512-K514 VanDerWaalsContact C-N 3.34Å; C512-K514 HydrophobicContact CB-CG 4.24Å
513G87.8Confident94.4Very high72 Ų7253.8 Ų53.874%0.74231%0.314SS*.SBendtrans76.117.2179.300000114.6S510 G515S510-G513 PolarHBondContact OG-N 3.08Å; G513-G515 VanDerWaalsContact C-N 3.25Å; G513-G515 PolarHBondContact O-N 3.37Å
514K88.9Confident94.3Very high61 Ų6153.9 Ų53.927%0.26532%0.315SS..  trans-88.526.1-178.8-57-167.8174-143.60113.8D474 E476 E477 S510 C512 V516D474-K514 IonicContact OD1-NZ 2.76Å; D474-K514 PolarHBondContact OD1-NZ 2.98Å; D474-K514 IonicContact OD2-NZ 3.46Å; D474-K514 PolarHBondContact OD2-NZ 3.27Å; E476-K514 VanDerWaalsContact CB-NZ 3.31Å; E476-K514 IonicContact OE2-NZ 3.28Å; E476-K514 PolarHBondContact OE2-NZ 3.44Å; E477-K514 HydrophobicContact CB-CD 4.37Å; S510-K514 WeakPolarHBondContact OG-CB 3.5Å; S510-K514 PolarHBondContact OG-N 3.05Å; C512-K514 VanDerWaalsContact C-N 3.34Å; C512-K514 HydrophobicContact CB-CG 4.24Å; K514-V516 PolarHBondContact O-N 3.4Å
515G93Very high93.9Very high53 Ų5352 Ų5255%0.54630%0.304SS..SBendtrans73.8-113.3-176.900000112.3S510 G513S510-G515 VanDerWaalsContact CB-O 3.3Å; S510-G515 WeakPolarHBondContact CB-O 3.47Å; S510-G515 PolarHBondContact N-O 2.9Å; G513-G515 VanDerWaalsContact C-N 3.25Å; G513-G515 PolarHBondContact O-N 3.37Å
516V94.9Very high93.4Very high53 Ų5347.8 Ų47.832%0.32128%0.275SS..EExtended strand (participates in β ladder)trans-121.9140-178-60.40000110.8T507 K514T507-V516 HydrophobicContact CG2-CG2 4.45Å; K514-V516 PolarHBondContact O-N 3.4Å
517L97.5Very high92.9Very high0 Ų050.3 Ų50.30%028%0.283CS..EExtended strand (participates in β ladder)trans-87.4139.6172.3-47.5179.6000109.2W470 V471 E477 V479 T507 I508W470-L517 HydrophobicContact CB-CB 3.92Å; V471-L517 CarbonylContact O-C 3.44Å; V471-L517 VanDerWaalsContact O-CA 3.27Å; V471-L517 WeakPolarHBondContact O-CA 3.48Å; E477-L517 HydrophobicContact CB-CD2 4.19Å; E477-L517 HydrophobicContact CG-CD1 4.14Å; E477-L517 HydrophobicContact CG-CD2 4.1Å; V479-L517 HydrophobicContact CB-CD1 4.24Å; V479-L517 HydrophobicContact CG2-CD1 3.52Å; T507-L517 WeakPolarHBondContact CA-O 3.34Å; T507-L517 WeakPolarHBondContact CB-O 3.41Å; I508-L517 HydrophobicContact CB-CB 4.3Å; I508-L517 HydrophobicContact CG2-CD1 4.43Å; I508-L517 PolarHBondContact N-O 3.47Å; I508-L517 VanDerWaalsContact N-O 3.11Å; I508-L517 PolarHBondContact O-N 3.29Å
518R97.8Very high92.8Very high115 Ų11547.5 Ų47.543%0.43427%0.266SS..EExtended strand (participates in β ladder)trans-118.4145.8178.6-66.1-179.3-178.979.16.1110.3W470 V471 D473 T507 I520W470-R518 CarbonylContact C-O 3.56Å; W470-R518 WeakPolarHBondContact CA-O 3.44Å; V471-R518 PolarHBondContact N-O 3.31Å; V471-R518 PolarHBondContact O-N 3.43Å; D473-R518 IonicContact OD1-NH1 3.19Å; D473-R518 PolarHBondContact OD1-NH1 3.42Å; D473-R518 IonicContact OD2-NH1 3.27Å; T507-R518 HydrophobicContact CG2-CG 4.18Å; R518-I520 PolarHBondContact O-N 3.21Å
519R97.3Very high92.7Very high17 Ų1747 Ų476%0.06426%0.264CS..EExtended strand (participates in β ladder)trans-60137.9174.5-159.1-169.872.576.73.4109.4P466 I467 L469 W470 D504 T521 E522P466-R519 VanDerWaalsContact CB-NH1 3.34Å; I467-R519 PolarHBondContact O-NH1 2.89Å; L469-R519 CarbonylContact O-C 3.41Å; L469-R519 VanDerWaalsContact O-CA 3.3Å; L469-R519 WeakPolarHBondContact O-CA 3.4Å; W470-R519 HydrophobicContact CD2-CB 4.26Å; W470-R519 HydrophobicContact CD2-CG 4.34Å; W470-R519 HydrophobicContact CE3-CG 4.47Å; W470-R519 HydrophobicContact CH2-CG 4.18Å; W470-R519 HydrophobicContact CZ2-CB 4.08Å; W470-R519 HydrophobicContact CZ2-CG 4.05Å; W470-R519 HydrophobicContact CZ3-CG 4.4Å; D504-R519 IonicContact OD1-CZ 3.7Å; D504-R519 IonicContact OD1-NE 3.19Å; D504-R519 PolarHBondContact OD1-NE 3.16Å; D504-R519 IonicContact OD1-NH2 2.7Å; D504-R519 PolarHBondContact OD1-NH2 3.46Å; D504-R519 IonicContact OD2-NH2 2.96Å; R519-T521 PolarHBondContact NH2-O 2.88Å; R519-T521 VanDerWaalsContact NH2-O 3.14Å; R519-E522 PolarHBondContact NH1-O 3.31Å
520I95.8Very high92.6Very high7 Ų742.9 Ų42.94%0.03624%0.237CC..  trans-59.4156.2165.764.1172.5000109.8W415 I467 L469 V471 F475 R518 E522W415-I520 HydrophobicContact CZ2-CD1 4.44Å; I467-I520 HydrophobicContact CB-CD1 3.91Å; I467-I520 HydrophobicContact CB-CG1 4.37Å; I467-I520 HydrophobicContact CD1-CD1 4.5Å; I467-I520 HydrophobicContact CG2-CD1 3.84Å; L469-I520 HydrophobicContact CB-CD1 3.95Å; L469-I520 HydrophobicContact CB-CG1 4.09Å; L469-I520 HydrophobicContact CB-CG2 4.38Å; L469-I520 HydrophobicContact CD1-CD1 3.96Å; L469-I520 HydrophobicContact CG-CD1 4.43Å; L469-I520 PolarHBondContact O-N 3.4Å; V471-I520 HydrophobicContact CB-CG2 4.43Å; V471-I520 HydrophobicContact CG1-CG2 3.7Å; V471-I520 HydrophobicContact CG2-CG2 3.78Å; F475-I520 HydrophobicContact CE1-CG2 4.03Å; R518-I520 PolarHBondContact O-N 3.21Å; I520-E522 WeakPolarHBondContact CB-OE2 3.38Å
521T92.2Very high92.6Very high79 Ų7941.9 Ų41.949%0.48523%0.23SC..SBendtrans-81.5-20.8-172.158.40000113.9R500 R519R500-T521 PolarHBondContact NE-O 3.28Å; R500-T521 PolarHBondContact NH1-O 3.28Å; R519-T521 PolarHBondContact NH2-O 2.88Å; R519-T521 VanDerWaalsContact NH2-O 3.14Å
522E93.1Very high92.9Very high16 Ų1631.5 Ų31.58%0.07519%0.191CC..  trans-69.9149.4-169.5-62.592.7130.900113.2R459 I467 R519 I520R459-E522 WeakPolarHBondContact O-CA 3.4Å; I467-E522 HydrophobicContact CD1-CB 4.16Å; I467-E522 PolarHBondContact N-O 3Å; R519-E522 PolarHBondContact NH1-O 3.31Å; I520-E522 WeakPolarHBondContact CB-OE2 3.38Å
523V94.9Very high93.3Very high2 Ų227.3 Ų27.31%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-105.8164.7167.9-58.40000109.9R459 R461 T465 R500R459-V523 HydrophobicContact CB-CG2 4.15Å; R459-V523 PolarHBondContact N-O 2.87Å; R459-V523 PolarHBondContact O-N 2.79Å; R461-V523 HydrophobicContact CB-CG2 3.93Å; T465-V523 CarbonylContact O-C 3.57Å; T465-V523 WeakPolarHBondContact O-CA 3.36Å; T465-V523 WeakPolarHBondContact O-CB 3.41Å; R500-V523 HydrophobicContact CG-CG1 3.95Å
524F94.7Very high93.7Very high2 Ų224 Ų241%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-67.4152.6175.3-76.9-71.3000112.5V159 F163 I457 T465 P466 I467 F528 E529V159-F524 HydrophobicContact CG1-CD2 3.95Å; V159-F524 HydrophobicContact CG1-CE2 3.99Å; V159-F524 HydrophobicContact CG1-CG 4.49Å; F163-F524 HydrophobicContact CB-CE1 4.11Å; F163-F524 HydrophobicContact CB-CZ 3.57Å; F163-F524 HydrophobicContact CD1-CZ 4.11Å; F163-F524 AromaticContact CD2-CE1 3.44Å; F163-F524 HydrophobicContact CD2-CE1 3.44Å; F163-F524 VanDerWaalsContact CD2-CE1 3.44Å; F163-F524 AromaticContact CD2-CZ 3.58Å; F163-F524 HydrophobicContact CD2-CZ 3.58Å; F163-F524 AromaticContact CE2-CE1 3.99Å; F163-F524 HydrophobicContact CE2-CE1 3.99Å; F163-F524 HydrophobicContact CE2-CZ 4.24Å; F163-F524 AromaticContact CG-CE1 3.86Å; F163-F524 HydrophobicContact CG-CE1 3.86Å; F163-F524 AromaticContact CG-CZ 3.47Å; F163-F524 HydrophobicContact CG-CZ 3.47Å; F163-F524 VanDerWaalsContact CG-CZ 3.47Å; I457-F524 HydrophobicContact CD1-CD1 4.48Å; I457-F524 HydrophobicContact CD1-CE1 4.11Å; I457-F524 CarbonylContact O-C 3.45Å; I457-F524 WeakPolarHBondContact O-CA 3.47Å; T465-F524 HydrophobicContact CG2-CD2 3.9Å; T465-F524 HydrophobicContact CG2-CE2 4.29Å; T465-F524 VanDerWaalsContact O-CD2 3.26Å; T465-F524 WeakPolarHBondContact O-CD2 3.27Å; T465-F524 PolarHBondContact O-N 2.81Å; P466-F524 WeakPolarHBondContact O-CE2 3.09Å; I467-F524 HydrophobicContact CB-CE2 4.29Å; I467-F524 HydrophobicContact CB-CZ 4.18Å; I467-F524 HydrophobicContact CD1-CD1 4.28Å; I467-F524 HydrophobicContact CD1-CE1 4.32Å; I467-F524 HydrophobicContact CG1-CD1 3.89Å; I467-F524 HydrophobicContact CG1-CD2 4.01Å; I467-F524 HydrophobicContact CG1-CE1 3.84Å; I467-F524 HydrophobicContact CG1-CE2 3.98Å; I467-F524 HydrophobicContact CG1-CG 3.96Å; I467-F524 HydrophobicContact CG1-CZ 3.87Å; I467-F524 HydrophobicContact CG2-CE1 4.4Å; I467-F524 HydrophobicContact CG2-CZ 4.06Å; F524-F528 HydrophobicContact CB-CB 4.48Å; F524-F528 HydrophobicContact CD1-CB 4.32Å; F524-F528 AromaticContact CD1-CD1 3.7Å; F524-F528 HydrophobicContact CD1-CD1 3.7Å; F524-F528 HydrophobicContact CD1-CE1 4.1Å; F524-F528 AromaticContact CD1-CG 3.94Å; F524-F528 HydrophobicContact CD1-CG 3.94Å; F524-F528 AromaticContact CE1-CD1 3.94Å; F524-F528 HydrophobicContact CE1-CD1 3.94Å; F524-F528 AromaticContact CE1-CE1 3.84Å; F524-F528 HydrophobicContact CE1-CE1 3.84Å; F524-F528 HydrophobicContact CE1-CG 4.4Å; F524-F528 HydrophobicContact CE1-CZ 4.2Å; F524-F528 HydrophobicContact CG-CD1 4.16Å; F524-F528 HydrophobicContact CZ-CE1 4.27Å; F524-E529 HydrophobicContact CB-CG 4.49Å
525D86Confident94Very high12 Ų1221.3 Ų21.36%0.06412%0.116CC..  trans-58.9129.7157-17329.4000109.8W455 I457 R459 W527 F528W455-D525 PolarHBondContact NE1-OD2 3.42Å; I457-D525 PolarHBondContact O-N 3.31Å; R459-D525 HydrophobicContact CG-CB 4.39Å; R459-D525 VanDerWaalsContact CZ-CG 3.48Å; R459-D525 IonicContact CZ-OD1 3.51Å; R459-D525 IonicContact CZ-OD2 3.62Å; R459-D525 IonicContact NE-OD1 3.82Å; R459-D525 PolarHBondContact NE-OD1 3.47Å; R459-D525 IonicContact NH2-OD1 3.42Å; R459-D525 PolarHBondContact NH2-OD1 2.92Å; R459-D525 IonicContact NH2-OD2 3.04Å; R459-D525 PolarHBondContact NH2-OD2 2.9Å; D525-W527 PolarHBondContact O-N 3.37Å; D525-W527 VanDerWaalsContact O-N 3.11Å; D525-F528 WeakPolarHBondContact O-CA 3.49Å; D525-F528 WeakPolarHBondContact O-CB 3.2Å; D525-F528 PolarHBondContact O-N 2.98Å
526C85.1Confident94.3Very high10 Ų1018.8 Ų18.87%0.0689%0.09CC..Hα-helixtrans-59.9-27.3-179.355.60000112.4F49 F528 E529 S530F49-C526 HydrophobicContact CE1-CB 4.48Å; C526-F528 PolarHBondContact O-N 2.82Å; C526-E529 WeakPolarHBondContact O-CB 3.47Å; C526-E529 PolarHBondContact O-N 3.25Å; C526-E529 VanDerWaalsContact O-N 3.08Å; C526-S530 PolarHBondContact O-N 3.41Å; C526-S530 PolarHBondContact O-OG 2.78Å
527W86.4Confident94.3Very high72 Ų7217.1 Ų17.127%0.2738%0.079SC..Hα-helixtrans-64.3-22.9172.7-62.6109.8000114.2W455 D525 S530 G531 W567 T570W455-W527 HydrophobicContact CZ2-CB 3.98Å; D525-W527 PolarHBondContact O-N 3.37Å; D525-W527 VanDerWaalsContact O-N 3.11Å; W527-S530 WeakPolarHBondContact CA-OG 3.26Å; W527-G531 WeakPolarHBondContact O-CA 3.39Å; W527-G531 PolarHBondContact O-N 2.84Å; W527-W567 HydrophobicContact CZ3-CB 4.11Å; W527-W567 VanDerWaalsContact CZ3-N 3.33Å; W527-T570 HydrophobicContact CB-CG2 3.8Å; W527-T570 WeakPolarHBondContact O-CB 3.48Å; W527-T570 PolarHBondContact O-OG1 2.75Å; W527-T570 VanDerWaalsContact O-OG1 3.1Å
528F95.3Very high94.2Very high0 Ų018.4 Ų18.40%09%0.087CC..Hα-helixtrans-72.6-37.3171.7-166.2-86.3000111.4V159 V162 F163 L166 V417 W455 I457 F524 D525 C526 S532 L574V159-F528 HydrophobicContact CG1-CD1 3.79Å; V159-F528 HydrophobicContact CG1-CE1 3.87Å; V162-F528 HydrophobicContact CG1-CE1 4.06Å; V162-F528 HydrophobicContact CG1-CZ 3.81Å; F163-F528 HydrophobicContact CB-CE1 4.22Å; F163-F528 HydrophobicContact CB-CZ 4.12Å; F163-F528 HydrophobicContact CD2-CZ 4.29Å; L166-F528 HydrophobicContact CD1-CE2 3.83Å; L166-F528 HydrophobicContact CD1-CZ 3.9Å; V417-F528 HydrophobicContact CG2-CE2 4.16Å; W455-F528 VanDerWaalsContact CH2-CA 3.5Å; W455-F528 HydrophobicContact CH2-CB 3.83Å; W455-F528 AromaticContact CH2-CD2 3.69Å; W455-F528 HydrophobicContact CH2-CD2 3.69Å; W455-F528 HydrophobicContact CH2-CG 4.18Å; W455-F528 HydrophobicContact CZ2-CB 3.91Å; W455-F528 HydrophobicContact CZ2-CD2 4.26Å; W455-F528 AromaticContact CZ3-CD2 3.81Å; W455-F528 HydrophobicContact CZ3-CD2 3.81Å; W455-F528 HydrophobicContact CZ3-CE2 4.49Å; I457-F528 HydrophobicContact CB-CD2 4.26Å; I457-F528 HydrophobicContact CD1-CE2 4.32Å; I457-F528 HydrophobicContact CG2-CD2 3.65Å; I457-F528 HydrophobicContact CG2-CE2 4.24Å; F524-F528 HydrophobicContact CB-CB 4.48Å; F524-F528 HydrophobicContact CD1-CB 4.32Å; F524-F528 AromaticContact CD1-CD1 3.7Å; F524-F528 HydrophobicContact CD1-CD1 3.7Å; F524-F528 HydrophobicContact CD1-CE1 4.1Å; F524-F528 AromaticContact CD1-CG 3.94Å; F524-F528 HydrophobicContact CD1-CG 3.94Å; F524-F528 AromaticContact CE1-CD1 3.94Å; F524-F528 HydrophobicContact CE1-CD1 3.94Å; F524-F528 AromaticContact CE1-CE1 3.84Å; F524-F528 HydrophobicContact CE1-CE1 3.84Å; F524-F528 HydrophobicContact CE1-CG 4.4Å; F524-F528 HydrophobicContact CE1-CZ 4.2Å; F524-F528 HydrophobicContact CG-CD1 4.16Å; F524-F528 HydrophobicContact CZ-CE1 4.27Å; D525-F528 WeakPolarHBondContact O-CA 3.49Å; D525-F528 WeakPolarHBondContact O-CB 3.2Å; D525-F528 PolarHBondContact O-N 2.98Å; C526-F528 PolarHBondContact O-N 2.82Å; F528-S532 WeakPolarHBondContact O-CB 3.44Å; F528-S532 PolarHBondContact O-N 3.17Å; F528-S532 VanDerWaalsContact O-N 3.1Å; F528-S532 PolarHBondContact O-OG 3.39Å; F528-L574 HydrophobicContact CD2-CD2 4.17Å; F528-L574 HydrophobicContact CE2-CD2 3.71Å; F528-L574 HydrophobicContact CZ-CD2 4.17Å
529E95.2Very high94.1Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-71.3-49.5176-52.9-179.7176.300111.4H88 T150 F155 T465 F524 C526 S532 M533H88-E529 VanDerWaalsContact CB-OE2 3.3Å; H88-E529 WeakPolarHBondContact CB-OE2 3.44Å; H88-E529 IonicContact CE1-OE2 3.7Å; H88-E529 IonicContact CG-OE1 2.64Å; H88-E529 IonicContact CG-OE2 3.81Å; H88-E529 VanDerWaalsContact ND1-CD 3.3Å; H88-E529 IonicContact ND1-OE1 2.63Å; H88-E529 PolarHBondContact ND1-OE1 3.27Å; H88-E529 VanDerWaalsContact ND1-OE1 3.12Å; H88-E529 IonicContact ND1-OE2 3.67Å; H88-E529 PolarHBondContact ND1-OE2 3.37Å; T150-E529 WeakPolarHBondContact CB-OE2 3.4Å; T150-E529 HydrophobicContact CG2-CB 4.06Å; T150-E529 PolarHBondContact OG1-OE2 3.35Å; F155-E529 HydrophobicContact CE1-CB 4.4Å; F155-E529 WeakPolarHBondContact CE1-O 3.43Å; T465-E529 WeakPolarHBondContact CB-OE1 3.4Å; T465-E529 PolarHBondContact N-OE1 3.24Å; T465-E529 PolarHBondContact OG1-OE1 2.9Å; F524-E529 HydrophobicContact CB-CG 4.49Å; C526-E529 WeakPolarHBondContact O-CB 3.47Å; C526-E529 PolarHBondContact O-N 3.25Å; C526-E529 VanDerWaalsContact O-N 3.08Å; E529-S532 CarbonylContact O-C 3.59Å; E529-S532 VanDerWaalsContact O-CA 3.27Å; E529-S532 WeakPolarHBondContact O-CA 3.43Å; E529-S532 VanDerWaalsContact O-CB 3.24Å; E529-S532 WeakPolarHBondContact O-CB 3.45Å; E529-S532 PolarHBondContact O-N 3.18Å; E529-M533 PolarHBondContact O-N 3.42Å
530S92.1Very high94.1Very high2 Ų214 Ų141%0.0147%0.071CC..Hα-helixtrans-68.5-35.5178.256.40000112.4C526 W527 S532 M533 W567C526-S530 PolarHBondContact O-N 3.41Å; C526-S530 PolarHBondContact O-OG 2.78Å; W527-S530 WeakPolarHBondContact CA-OG 3.26Å; S530-S532 PolarHBondContact O-N 2.87Å; S530-M533 WeakPolarHBondContact O-CB 3.29Å; S530-M533 PolarHBondContact O-N 3.3Å; S530-M533 VanDerWaalsContact O-N 3.16Å; S530-W567 PolarHBondContact O-NE1 2.86Å
531G95.7Very high94.2Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-63.3-21168.100000112.9W527 T570 L574W527-G531 WeakPolarHBondContact O-CA 3.39Å; W527-G531 PolarHBondContact O-N 2.84Å; G531-T570 WeakPolarHBondContact CA-OG1 3.45Å; G531-L574 VanDerWaalsContact C-CD1 3.46Å
532S98Very high94.5Very high0 Ų015.4 Ų15.40%07%0.074CC..THydrogen-bonded Turntrans-87-4.8176.1-690000115.8F528 E529 S530 Y535 A536F528-S532 WeakPolarHBondContact O-CB 3.44Å; F528-S532 PolarHBondContact O-N 3.17Å; F528-S532 VanDerWaalsContact O-N 3.1Å; F528-S532 PolarHBondContact O-OG 3.39Å; E529-S532 CarbonylContact O-C 3.59Å; E529-S532 VanDerWaalsContact O-CA 3.27Å; E529-S532 WeakPolarHBondContact O-CA 3.43Å; E529-S532 VanDerWaalsContact O-CB 3.24Å; E529-S532 WeakPolarHBondContact O-CB 3.45Å; E529-S532 PolarHBondContact O-N 3.18Å; S530-S532 PolarHBondContact O-N 2.87Å; S532-Y535 VanDerWaalsContact CA-OH 3.23Å; S532-Y535 WeakPolarHBondContact CA-OH 3.4Å; S532-Y535 WeakPolarHBondContact O-CD2 3.42Å; S532-Y535 WeakPolarHBondContact O-CE2 3.3Å; S532-Y535 PolarHBondContact O-N 3.17Å; S532-Y535 WeakPolarHBondContact OG-CE2 3.44Å; S532-Y535 PolarHBondContact OG-OH 3.37Å; S532-A536 WeakPolarHBondContact O-CB 3.49Å; S532-A536 PolarHBondContact O-N 2.93Å
533M97.6Very high94.6Very high1 Ų119.9 Ų19.91%0.00510%0.095CC..Hα-helixtrans-50.5-43.6-178.6179.2-81.517800115.5Y44 Y148 F155 E529 S530 Y535 A536 Q537 W567Y44-M533 HydrophobicContact CD1-CE 4.25Å; Y44-M533 HydrophobicContact CD1-SD 4.24Å; Y44-M533 HydrophobicContact CG-CE 4.46Å; Y44-M533 HydrophobicContact CG-SD 4.12Å; Y148-M533 HydrophobicContact CD1-CE 4.06Å; Y148-M533 HydrophobicContact CD2-CG 4.31Å; Y148-M533 HydrophobicContact CE1-CE 3.16Å; Y148-M533 HydrophobicContact CE1-CG 4.15Å; Y148-M533 HydrophobicContact CE2-CB 4.38Å; Y148-M533 HydrophobicContact CE2-CE 4.24Å; Y148-M533 HydrophobicContact CE2-CG 3.43Å; Y148-M533 VanDerWaalsContact CE2-CG 3.43Å; Y148-M533 VanDerWaalsContact OH-CE 3.27Å; Y148-M533 WeakPolarHBondContact OH-CE 3.34Å; Y148-M533 WeakPolarHBondContact OH-CG 3.32Å; F155-M533 HydrophobicContact CZ-CB 4.29Å; E529-M533 PolarHBondContact O-N 3.42Å; S530-M533 WeakPolarHBondContact O-CB 3.29Å; S530-M533 PolarHBondContact O-N 3.3Å; S530-M533 VanDerWaalsContact O-N 3.16Å; M533-Y535 VanDerWaalsContact C-N 3.27Å; M533-Y535 PolarHBondContact O-N 2.89Å; M533-Y535 VanDerWaalsContact O-N 3.14Å; M533-A536 PolarHBondContact O-N 3Å; M533-Q537 HydrophobicContact CE-CB 4.3Å; M533-Q537 HydrophobicContact CE-CG 4.32Å; M533-Q537 VanDerWaalsContact O-CB 3.29Å; M533-Q537 WeakPolarHBondContact O-CB 3.5Å; M533-Q537 WeakPolarHBondContact O-CG 3.38Å; M533-Q537 PolarHBondContact O-N 3.5Å; M533-Q537 PolarHBondContact SD-NE2 3Å; M533-W567 HydrophobicContact SD-CZ2 4.44Å
534P96.8Very high94.6Very high3 Ų323.2 Ų23.22%0.01911%0.113CC..Hα-helixtrans-53-43-173.5-32.338.9000114.2Y44 Q537 F548 F552 L571Y44-P534 HydrophobicContact CD2-CB 4.35Å; Y44-P534 HydrophobicContact CD2-CG 4.09Å; Y44-P534 HydrophobicContact CE2-CB 3.56Å; Y44-P534 HydrophobicContact CE2-CG 3.71Å; P534-Q537 PolarHBondContact O-NE2 3.26Å; P534-F548 HydrophobicContact CB-CE2 4.39Å; P534-F552 HydrophobicContact CB-CE2 4.47Å; P534-L571 HydrophobicContact CG-CD2 3.36Å
535Y95.8Very high94.6Very high3 Ų330 Ų301%0.01214%0.138CC..Hα-helixtrans-98.2-34.4-177.936.2-98.9000111.5T158 V162 S532 M533 Q537 V538 H539 Y540 L574 L578 F579T158-Y535 HydrophobicContact CG2-CD2 3.63Å; T158-Y535 HydrophobicContact CG2-CE2 4.4Å; V162-Y535 HydrophobicContact CB-CE2 4.15Å; V162-Y535 HydrophobicContact CG1-CE2 4.46Å; V162-Y535 HydrophobicContact CG2-CD2 3.64Å; V162-Y535 HydrophobicContact CG2-CE1 4.48Å; V162-Y535 HydrophobicContact CG2-CE2 3.06Å; S532-Y535 VanDerWaalsContact CA-OH 3.23Å; S532-Y535 WeakPolarHBondContact CA-OH 3.4Å; S532-Y535 WeakPolarHBondContact O-CD2 3.42Å; S532-Y535 WeakPolarHBondContact O-CE2 3.3Å; S532-Y535 PolarHBondContact O-N 3.17Å; S532-Y535 WeakPolarHBondContact OG-CE2 3.44Å; S532-Y535 PolarHBondContact OG-OH 3.37Å; M533-Y535 VanDerWaalsContact C-N 3.27Å; M533-Y535 PolarHBondContact O-N 2.89Å; M533-Y535 VanDerWaalsContact O-N 3.14Å; Y535-Q537 PolarHBondContact O-N 3.1Å; Y535-V538 VanDerWaalsContact O-CG2 3.27Å; Y535-V538 WeakPolarHBondContact O-CG2 3.49Å; Y535-V538 PolarHBondContact O-N 3.47Å; Y535-H539 PolarHBondContact O-N 3.01Å; Y535-Y540 WeakPolarHBondContact O-CB 3.41Å; Y535-Y540 PolarHBondContact O-N 3.03Å; Y535-L574 WeakPolarHBondContact OH-CB 3.42Å; Y535-L574 WeakPolarHBondContact OH-CD1 3.4Å; Y535-L578 HydrophobicContact CD1-CD1 4.48Å; Y535-L578 HydrophobicContact CE1-CD1 3.83Å; Y535-F579 HydrophobicContact CD1-CE2 4.13Å
536A97.4Very high95Very high0 Ų036.5 Ų36.50%017%0.166CC..Hα-helixtrans-68.1-35.9-179.700000112.9W154 F155 T158 S532 M533 V538 H539W154-A536 VanDerWaalsContact CE3-O 3.3Å; W154-A536 WeakPolarHBondContact CZ3-O 3.14Å; F155-A536 HydrophobicContact CD1-CB 3.72Å; F155-A536 HydrophobicContact CD2-CB 3.56Å; F155-A536 HydrophobicContact CE1-CB 3.61Å; F155-A536 HydrophobicContact CE2-CB 3.47Å; F155-A536 VanDerWaalsContact CE2-CB 3.47Å; F155-A536 HydrophobicContact CG-CB 3.69Å; F155-A536 HydrophobicContact CZ-CB 3.5Å; F155-A536 VanDerWaalsContact CZ-CB 3.5Å; T158-A536 VanDerWaalsContact CG2-CA 3.41Å; T158-A536 HydrophobicContact CG2-CB 3.73Å; S532-A536 WeakPolarHBondContact O-CB 3.49Å; S532-A536 PolarHBondContact O-N 2.93Å; M533-A536 PolarHBondContact O-N 3Å; A536-V538 PolarHBondContact O-N 3.24Å; A536-H539 PolarHBondContact O-N 3.2Å
537Q95.2Very high95.2Very high18 Ų1839.3 Ų39.38%0.08418%0.178CC..THydrogen-bonded Turntrans-60.6-20.6179.879.3-176.1-63.700113.8R82 Y148 M533 P534 Y535R82-Q537 PolarHBondContact NH1-O 3.4Å; R82-Q537 PolarHBondContact NH2-O 3.34Å; Y148-Q537 HydrophobicContact CD1-CB 3.97Å; Y148-Q537 HydrophobicContact CD2-CB 4.39Å; Y148-Q537 HydrophobicContact CG-CB 3.89Å; M533-Q537 HydrophobicContact CE-CB 4.3Å; M533-Q537 HydrophobicContact CE-CG 4.32Å; M533-Q537 VanDerWaalsContact O-CB 3.29Å; M533-Q537 WeakPolarHBondContact O-CB 3.5Å; M533-Q537 WeakPolarHBondContact O-CG 3.38Å; M533-Q537 PolarHBondContact O-N 3.5Å; M533-Q537 PolarHBondContact SD-NE2 3Å; P534-Q537 PolarHBondContact O-NE2 3.26Å; Y535-Q537 PolarHBondContact O-N 3.1Å
538V95.3Very high95.6Very high28 Ų2836.2 Ų36.217%0.1717%0.166CC..THydrogen-bonded Turntrans-113.69.3-179.8-65.30000112.7Y535 A536 Y540 N544 F548Y535-V538 VanDerWaalsContact O-CG2 3.27Å; Y535-V538 WeakPolarHBondContact O-CG2 3.49Å; Y535-V538 PolarHBondContact O-N 3.47Å; A536-V538 PolarHBondContact O-N 3.24Å; V538-Y540 PolarHBondContact O-N 3.48Å; V538-N544 HydrophobicContact CB-CB 4.1Å; V538-N544 PolarHBondContact O-ND2 2.93Å; V538-F548 HydrophobicContact CG2-CB 4.18Å; V538-F548 HydrophobicContact CG2-CD2 4.39Å
539H97.4Very high95.5Very high23 Ų2340.5 Ų40.511%0.10619%0.187CC..THydrogen-bonded Turntrans58.232-178.9-164.3-164.2000113.9W154 E157 T158 Y535 A536 F542 E543W154-H539 HydrophobicContact CB-CB 4.21Å; W154-H539 HydrophobicContact CE3-CB 4.34Å; W154-H539 PolarHBondContact O-CD2 3.08Å; E157-H539 IonicContact OE2-CD2 2.71Å; E157-H539 IonicContact OE2-CE1 2.64Å; E157-H539 IonicContact OE2-NE2 2.62Å; E157-H539 PolarHBondContact OE2-NE2 3.27Å; T158-H539 WeakPolarHBondContact OG1-CA 3.47Å; Y535-H539 PolarHBondContact O-N 3.01Å; A536-H539 PolarHBondContact O-N 3.2Å; H539-F542 AromaticContact CD2-CD2 3.49Å; H539-F542 VanDerWaalsContact CD2-CD2 3.49Å; H539-F542 WeakPolarHBondContact CD2-CD2 3.48Å; H539-F542 AromaticContact NE2-CD2 3.54Å; H539-F542 AromaticContact NE2-CG 3.91Å; H539-F542 WeakPolarHBondContact O-CB 3.32Å; H539-F542 PolarHBondContact O-N 2.87Å; H539-E543 HydrophobicContact CB-CB 4.27Å; H539-E543 IonicContact ND1-OE1 3.6Å; H539-E543 PolarHBondContact O-N 3.45Å
540Y97.4Very high95.3Very high16 Ų1646.2 Ų46.26%0.06322%0.217CC..THydrogen-bonded Turntrans-67.7138.9176.7175.7-83.1000110.7T158 W161 Y535 V538 R545 F548 E549 F579T158-Y540 WeakPolarHBondContact CG2-O 3.05Å; T158-Y540 PolarHBondContact OG1-O 3.26Å; W161-Y540 HydrophobicContact CE3-CD1 4.32Å; W161-Y540 HydrophobicContact CE3-CE1 4.45Å; W161-Y540 HydrophobicContact CH2-CD1 4.07Å; W161-Y540 AromaticContact CH2-CE1 3.43Å; W161-Y540 HydrophobicContact CH2-CE1 3.43Å; W161-Y540 VanDerWaalsContact CH2-CE1 3.43Å; W161-Y540 AromaticContact CZ2-CE1 3.9Å; W161-Y540 HydrophobicContact CZ2-CE1 3.9Å; W161-Y540 AromaticContact CZ3-CD1 3.85Å; W161-Y540 HydrophobicContact CZ3-CD1 3.85Å; W161-Y540 AromaticContact CZ3-CE1 3.7Å; W161-Y540 HydrophobicContact CZ3-CE1 3.7Å; Y535-Y540 WeakPolarHBondContact O-CB 3.41Å; Y535-Y540 PolarHBondContact O-N 3.03Å; V538-Y540 PolarHBondContact O-N 3.48Å; Y540-R545 HydrophobicContact CD2-CB 4.46Å; Y540-R545 HydrophobicContact CD2-CG 4.33Å; Y540-R545 HydrophobicContact CE2-CB 4.47Å; Y540-R545 HydrophobicContact CE2-CG 3.86Å; Y540-F548 HydrophobicContact CD1-CD1 4.5Å; Y540-F548 HydrophobicContact CD2-CB 3.91Å; Y540-F548 AromaticContact CD2-CD1 3.41Å; Y540-F548 HydrophobicContact CD2-CD1 3.41Å; Y540-F548 VanDerWaalsContact CD2-CD1 3.41Å; Y540-F548 HydrophobicContact CD2-CE1 4.19Å; Y540-F548 AromaticContact CD2-CG 3.85Å; Y540-F548 HydrophobicContact CD2-CG 3.85Å; Y540-F548 HydrophobicContact CE1-CE1 4.43Å; Y540-F548 AromaticContact CE2-CD1 3.46Å; Y540-F548 HydrophobicContact CE2-CD1 3.46Å; Y540-F548 VanDerWaalsContact CE2-CD1 3.46Å; Y540-F548 HydrophobicContact CE2-CE1 4.05Å; Y540-F548 HydrophobicContact CE2-CG 4.33Å; Y540-F548 AromaticContact CG-CD1 3.99Å; Y540-F548 HydrophobicContact CG-CD1 3.99Å; Y540-F548 HydrophobicContact CG-CE1 4.46Å; Y540-F548 HydrophobicContact CG-CG 4.3Å; Y540-E549 HydrophobicContact CE2-CG 4.36Å; Y540-F579 HydrophobicContact CE1-CE1 4.33Å; Y540-F579 HydrophobicContact CE1-CZ 4.04Å
541P97.1Very high95.2Very high35 Ų3547.3 Ų47.323%0.22722%0.224CC..THydrogen-bonded Turncis-95.76.55.639.2-39.5000113.9W161W161-P541 VanDerWaalsContact CD2-CD 3.45Å; W161-P541 HydrophobicContact CD2-CG 3.94Å; W161-P541 HydrophobicContact CG-CG 3.95Å; W161-P541 HydrophobicContact CZ2-CG 4.36Å
542F97.4Very high95.2Very high81 Ų8148.4 Ų48.436%0.35523%0.229SC..THydrogen-bonded Turntrans-69.9-39.7-173.9-51.5-76000111.3E157 W161 H539E157-F542 HydrophobicContact CB-CE2 4.34Å; E157-F542 HydrophobicContact CG-CD2 4.38Å; E157-F542 HydrophobicContact CG-CE2 3.69Å; E157-F542 HydrophobicContact CG-CZ 3.79Å; W161-F542 HydrophobicContact CB-CE2 4.11Å; W161-F542 HydrophobicContact CB-CZ 4.05Å; H539-F542 AromaticContact CD2-CD2 3.49Å; H539-F542 VanDerWaalsContact CD2-CD2 3.49Å; H539-F542 WeakPolarHBondContact CD2-CD2 3.48Å; H539-F542 AromaticContact NE2-CD2 3.54Å; H539-F542 AromaticContact NE2-CG 3.91Å; H539-F542 WeakPolarHBondContact O-CB 3.32Å; H539-F542 PolarHBondContact O-N 2.87Å
543E96.4Very high95.1Very high109 Ų10949.8 Ų49.851%0.50924%0.238SC..SBendtrans-131.1167176.9-57.1-174.3-178.100111.1H539 R545H539-E543 HydrophobicContact CB-CB 4.27Å; H539-E543 IonicContact ND1-OE1 3.6Å; H539-E543 PolarHBondContact O-N 3.45Å; E543-R545 PolarHBondContact O-N 3.28Å
544N94.5Very high95.1Very high73 Ų7349.8 Ų49.839%0.3924%0.238SC..  trans51.826.4171.4-50-55.7000115.4V538 K546 E547 F548V538-N544 HydrophobicContact CB-CB 4.1Å; V538-N544 PolarHBondContact O-ND2 2.93Å; N544-K546 PolarHBondContact O-N 3.41Å; N544-E547 HydrophobicContact CB-CB 4.38Å; N544-E547 WeakPolarHBondContact O-CB 3.34Å; N544-E547 PolarHBondContact O-N 3.13Å; N544-F548 PolarHBondContact O-N 3.31Å
545R95.6Very high95.2Very high143 Ų14350.8 Ų50.854%0.5424%0.243SC..Hα-helixtrans-54.2-54.3-174.7178.9174.2179168.31.7113.1Y540 E543 E547 F548 E549Y540-R545 HydrophobicContact CD2-CB 4.46Å; Y540-R545 HydrophobicContact CD2-CG 4.33Å; Y540-R545 HydrophobicContact CE2-CB 4.47Å; Y540-R545 HydrophobicContact CE2-CG 3.86Å; E543-R545 PolarHBondContact O-N 3.28Å; R545-E547 VanDerWaalsContact C-N 3.31Å; R545-E547 PolarHBondContact O-N 3.03Å; R545-F548 PolarHBondContact O-N 3.07Å; R545-E549 HydrophobicContact CG-CG 4.44Å; R545-E549 IonicContact CZ-OE1 2.99Å; R545-E549 IonicContact NE-OE1 4Å; R545-E549 PolarHBondContact NE-OE1 3.49Å; R545-E549 IonicContact NE-OE2 2.66Å; R545-E549 IonicContact NH2-OE1 3.31Å; R545-E549 PolarHBondContact NH2-OE1 3.15Å; R545-E549 WeakPolarHBondContact O-CB 3.47Å; R545-E549 WeakPolarHBondContact O-CG 3.26Å; R545-E549 PolarHBondContact O-N 3.38Å
546K93.8Very high95.3Very high149 Ų14950.7 Ų50.765%0.64824%0.242SC*.Hα-helixtrans-63-40.5-179-177.5175.8178.8-178.70111.5N544 F548 E549 D550N544-K546 PolarHBondContact O-N 3.41Å; K546-F548 PolarHBondContact O-N 2.8Å; K546-E549 PolarHBondContact O-N 2.94Å; K546-D550 WeakPolarHBondContact CE-OD2 3.28Å; K546-D550 WeakPolarHBondContact CG-OD2 3.32Å; K546-D550 VanDerWaalsContact O-CB 3.32Å; K546-D550 WeakPolarHBondContact O-CB 3.47Å; K546-D550 VanDerWaalsContact O-CG 3.24Å; K546-D550 PolarHBondContact O-N 3.13Å
547E88.9Confident95.3Very high70 Ų7050.7 Ų50.733%0.32724%0.242SC..Hα-helixtrans-61.4-44.4178179169.1-161.700111.5R40 N544 R545 T551R40-E547 IonicContact CZ-OE1 3.4Å; R40-E547 VanDerWaalsContact CZ-OE1 3.28Å; R40-E547 IonicContact NH1-OE1 2.82Å; R40-E547 PolarHBondContact NH1-OE1 2.93Å; R40-E547 IonicContact NH2-OE1 3.92Å; R40-E547 PolarHBondContact NH2-OE1 3.11Å; N544-E547 HydrophobicContact CB-CB 4.38Å; N544-E547 WeakPolarHBondContact O-CB 3.34Å; N544-E547 PolarHBondContact O-N 3.13Å; R545-E547 VanDerWaalsContact C-N 3.31Å; R545-E547 PolarHBondContact O-N 3.03Å; E547-T551 WeakPolarHBondContact O-CB 3.5Å; E547-T551 WeakPolarHBondContact O-CG2 3.17Å; E547-T551 PolarHBondContact O-N 2.96Å; E547-T551 PolarHBondContact O-OG1 3.43Å
548F94Very high95.4Very high6 Ų649.8 Ų49.83%0.02624%0.238CC..Hα-helixtrans-62.4-50.2172.8173-102000112P534 V538 Y540 N544 R545 K546 D550 T551 F552 F579P534-F548 HydrophobicContact CB-CE2 4.39Å; V538-F548 HydrophobicContact CG2-CB 4.18Å; V538-F548 HydrophobicContact CG2-CD2 4.39Å; Y540-F548 HydrophobicContact CD1-CD1 4.5Å; Y540-F548 HydrophobicContact CD2-CB 3.91Å; Y540-F548 AromaticContact CD2-CD1 3.41Å; Y540-F548 HydrophobicContact CD2-CD1 3.41Å; Y540-F548 VanDerWaalsContact CD2-CD1 3.41Å; Y540-F548 HydrophobicContact CD2-CE1 4.19Å; Y540-F548 AromaticContact CD2-CG 3.85Å; Y540-F548 HydrophobicContact CD2-CG 3.85Å; Y540-F548 HydrophobicContact CE1-CE1 4.43Å; Y540-F548 AromaticContact CE2-CD1 3.46Å; Y540-F548 HydrophobicContact CE2-CD1 3.46Å; Y540-F548 VanDerWaalsContact CE2-CD1 3.46Å; Y540-F548 HydrophobicContact CE2-CE1 4.05Å; Y540-F548 HydrophobicContact CE2-CG 4.33Å; Y540-F548 AromaticContact CG-CD1 3.99Å; Y540-F548 HydrophobicContact CG-CD1 3.99Å; Y540-F548 HydrophobicContact CG-CE1 4.46Å; Y540-F548 HydrophobicContact CG-CG 4.3Å; N544-F548 PolarHBondContact O-N 3.31Å; R545-F548 PolarHBondContact O-N 3.07Å; K546-F548 PolarHBondContact O-N 2.8Å; F548-D550 VanDerWaalsContact C-N 3.28Å; F548-D550 PolarHBondContact O-N 3.46Å; F548-T551 PolarHBondContact O-N 3.05Å; F548-T551 VanDerWaalsContact O-N 3.13Å; F548-T551 PolarHBondContact O-OG1 3.44Å; F548-F552 HydrophobicContact CD2-CB 4.28Å; F548-F552 HydrophobicContact CE1-CB 4.3Å; F548-F552 HydrophobicContact CE1-CD1 4.45Å; F548-F552 HydrophobicContact CE1-CG 4.29Å; F548-F552 HydrophobicContact CE2-CB 3.89Å; F548-F552 AromaticContact CE2-CD2 3.7Å; F548-F552 HydrophobicContact CE2-CD2 3.7Å; F548-F552 HydrophobicContact CE2-CE2 4.39Å; F548-F552 AromaticContact CE2-CG 3.86Å; F548-F552 HydrophobicContact CE2-CG 3.86Å; F548-F552 HydrophobicContact CZ-CB 3.91Å; F548-F552 HydrophobicContact CZ-CD1 4.01Å; F548-F552 AromaticContact CZ-CD2 3.76Å; F548-F552 HydrophobicContact CZ-CD2 3.76Å; F548-F552 HydrophobicContact CZ-CE1 4.46Å; F548-F552 HydrophobicContact CZ-CE2 4.25Å; F548-F552 AromaticContact CZ-CG 3.62Å; F548-F552 HydrophobicContact CZ-CG 3.62Å; F548-F552 WeakPolarHBondContact O-CB 3.5Å; F548-F552 PolarHBondContact O-N 2.82Å; F548-F579 HydrophobicContact CE1-CE1 4.41Å; F548-F579 HydrophobicContact CE1-CE2 4.3Å; F548-F579 AromaticContact CE1-CZ 3.93Å; F548-F579 HydrophobicContact CE1-CZ 3.93Å; F548-F579 HydrophobicContact CZ-CE2 4.1Å; F548-F579 HydrophobicContact CZ-CZ 4.17Å
549E94.1Very high95.4Very high90 Ų9049.7 Ų49.742%0.42124%0.236SC..Hα-helixtrans-61-35.8-177.3-72.8173.8173.800112.5Y540 R545 K546Y540-E549 HydrophobicContact CE2-CG 4.36Å; R545-E549 HydrophobicContact CG-CG 4.44Å; R545-E549 IonicContact CZ-OE1 2.99Å; R545-E549 IonicContact NE-OE1 4Å; R545-E549 PolarHBondContact NE-OE1 3.49Å; R545-E549 IonicContact NE-OE2 2.66Å; R545-E549 IonicContact NH2-OE1 3.31Å; R545-E549 PolarHBondContact NH2-OE1 3.15Å; R545-E549 WeakPolarHBondContact O-CB 3.47Å; R545-E549 WeakPolarHBondContact O-CG 3.26Å; R545-E549 PolarHBondContact O-N 3.38Å; K546-E549 PolarHBondContact O-N 2.94Å
550D90.6Very high95.1Very high120 Ų12049 Ų4964%0.64223%0.234SC*.Hα-helixtrans-76.4-23.5178.2-71.8-18000112.9K546 F548K546-D550 WeakPolarHBondContact CE-OD2 3.28Å; K546-D550 WeakPolarHBondContact CG-OD2 3.32Å; K546-D550 VanDerWaalsContact O-CB 3.32Å; K546-D550 WeakPolarHBondContact O-CB 3.47Å; K546-D550 VanDerWaalsContact O-CG 3.24Å; K546-D550 PolarHBondContact O-N 3.13Å; F548-D550 VanDerWaalsContact C-N 3.28Å; F548-D550 PolarHBondContact O-N 3.46Å
551T89.8Confident94.8Very high26 Ų2649.6 Ų49.616%0.1624%0.239CC..Hα-helixtrans-110.6-5.8-173.259.80000114.9T42 E547 F548 P553T42-T551 WeakPolarHBondContact OG1-CB 3.48Å; T42-T551 PolarHBondContact OG1-O 3.02Å; E547-T551 WeakPolarHBondContact O-CB 3.5Å; E547-T551 WeakPolarHBondContact O-CG2 3.17Å; E547-T551 PolarHBondContact O-N 2.96Å; E547-T551 PolarHBondContact O-OG1 3.43Å; F548-T551 PolarHBondContact O-N 3.05Å; F548-T551 VanDerWaalsContact O-N 3.13Å; F548-T551 PolarHBondContact O-OG1 3.44Å; T551-P553 CarbonylContact O-C 3.53Å
552F95.6Very high94.1Very high23 Ų2352.1 Ų52.110%0.10125%0.25CS..PPolyproline II helixtrans-94.9130.1176.9-174.9-106000111.5P534 F548 S575 F579 K581 P583P534-F552 HydrophobicContact CB-CE2 4.47Å; F548-F552 HydrophobicContact CD2-CB 4.28Å; F548-F552 HydrophobicContact CE1-CB 4.3Å; F548-F552 HydrophobicContact CE1-CD1 4.45Å; F548-F552 HydrophobicContact CE1-CG 4.29Å; F548-F552 HydrophobicContact CE2-CB 3.89Å; F548-F552 AromaticContact CE2-CD2 3.7Å; F548-F552 HydrophobicContact CE2-CD2 3.7Å; F548-F552 HydrophobicContact CE2-CE2 4.39Å; F548-F552 AromaticContact CE2-CG 3.86Å; F548-F552 HydrophobicContact CE2-CG 3.86Å; F548-F552 HydrophobicContact CZ-CB 3.91Å; F548-F552 HydrophobicContact CZ-CD1 4.01Å; F548-F552 AromaticContact CZ-CD2 3.76Å; F548-F552 HydrophobicContact CZ-CD2 3.76Å; F548-F552 HydrophobicContact CZ-CE1 4.46Å; F548-F552 HydrophobicContact CZ-CE2 4.25Å; F548-F552 AromaticContact CZ-CG 3.62Å; F548-F552 HydrophobicContact CZ-CG 3.62Å; F548-F552 WeakPolarHBondContact O-CB 3.5Å; F548-F552 PolarHBondContact O-N 2.82Å; F552-S575 VanDerWaalsContact CZ-OG 3.28Å; F552-S575 WeakPolarHBondContact CZ-OG 3.33Å; F552-F579 HydrophobicContact CE1-CB 4.37Å; F552-F579 AromaticContact CE1-CD2 3.97Å; F552-F579 HydrophobicContact CE1-CD2 3.97Å; F552-F579 HydrophobicContact CE1-CG 4.33Å; F552-F579 HydrophobicContact CZ-CD2 4.24Å; F552-K581 HydrophobicContact CE1-CB 4.36Å; F552-P583 HydrophobicContact CE2-CB 4.38Å
553P96.7Very high93.7Very high29 Ų2949.7 Ų49.719%0.18824%0.24CC..SBendcis-81.7156.6732.9-36.3000114.6T551 P582 K585T551-P553 CarbonylContact O-C 3.53Å; P553-P582 VanDerWaalsContact CB-O 3.31Å; P553-P582 WeakPolarHBondContact CB-O 3.3Å; P553-K585 HydrophobicContact CG-CG 3.98Å
554A97.7Very high93.3Very high0 Ų045 Ų450%022%0.219CC..EExtended strand (participates in β ladder)trans-59.9145.4176.400000112.4T42 Y44 P583 F584 K585T42-A554 HydrophobicContact CG2-CB 3.86Å; Y44-A554 HydrophobicContact CD1-CB 4.17Å; Y44-A554 HydrophobicContact CD2-CB 3.5Å; Y44-A554 HydrophobicContact CE1-CB 4.11Å; Y44-A554 HydrophobicContact CE2-CB 3.43Å; Y44-A554 VanDerWaalsContact CE2-CB 3.43Å; Y44-A554 HydrophobicContact CG-CB 3.89Å; A554-P583 PolarHBondContact N-O 3.24Å; A554-F584 HydrophobicContact CB-CB 4.48Å; A554-F584 CarbonylContact O-C 3.53Å; A554-F584 VanDerWaalsContact O-CA 3.26Å; A554-F584 WeakPolarHBondContact O-CA 3.39Å; A554-K585 PolarHBondContact O-N 2.67Å
555D98.4Very high92.7Very high25 Ų2549.4 Ų49.413%0.13423%0.23CC..EExtended strand (participates in β ladder)trans-72.1-34.7177.9-63.6-67.7000111.7Y41 T42 K585 N586Y41-D555 WeakPolarHBondContact CA-OD2 3.22Å; Y41-D555 HydrophobicContact CD1-CB 4.29Å; Y41-D555 HydrophobicContact CD2-CB 3.85Å; Y41-D555 HydrophobicContact CE1-CB 4.12Å; Y41-D555 HydrophobicContact CE2-CB 3.67Å; Y41-D555 HydrophobicContact CG-CB 4.16Å; T42-D555 PolarHBondContact N-OD2 3.34Å; T42-D555 PolarHBondContact O-N 2.87Å; D555-K585 WeakPolarHBondContact OD1-CE 3.32Å; D555-K585 IonicContact OD1-NZ 3.11Å; D555-K585 PolarHBondContact OD1-NZ 3.41Å; D555-N586 VanDerWaalsContact O-CB 3.29Å; D555-N586 WeakPolarHBondContact O-CB 3.4Å; D555-N586 PolarHBondContact O-N 3.28Å; D555-N586 VanDerWaalsContact O-N 3.14Å; D555-N586 PolarHBondContact O-ND2 3.38Å
556F97.9Very high92.2Very high0 Ų042.7 Ų42.70%021%0.205CC..EExtended strand (participates in β ladder)trans-152.7140.8-172.4167.3-108.9000114.8Y41 T42 F43 Y44 I64 V68 A558 N586 I588 Y714Y41-F556 HydrophobicContact CE1-CB 3.88Å; Y41-F556 WeakPolarHBondContact OH-CB 3.34Å; T42-F556 PolarHBondContact O-N 2.9Å; F43-F556 AromaticContact CD2-CD1 3.73Å; F43-F556 HydrophobicContact CD2-CD1 3.73Å; F43-F556 HydrophobicContact CD2-CE1 4.09Å; F43-F556 HydrophobicContact CE2-CD1 4.34Å; F43-F556 HydrophobicContact CE2-CE1 4.26Å; Y44-F556 PolarHBondContact N-O 2.81Å; I64-F556 HydrophobicContact CG2-CZ 4.29Å; V68-F556 HydrophobicContact CB-CD1 4.06Å; V68-F556 HydrophobicContact CB-CE1 3.55Å; V68-F556 HydrophobicContact CB-CE2 4.38Å; V68-F556 HydrophobicContact CB-CZ 3.72Å; V68-F556 HydrophobicContact CG1-CD1 3.53Å; V68-F556 HydrophobicContact CG1-CD2 4.08Å; V68-F556 HydrophobicContact CG1-CE1 3.57Å; V68-F556 HydrophobicContact CG1-CE2 4.11Å; V68-F556 HydrophobicContact CG1-CG 3.79Å; V68-F556 HydrophobicContact CG1-CZ 3.85Å; V68-F556 HydrophobicContact CG2-CE1 4.05Å; V68-F556 HydrophobicContact CG2-CE2 4.1Å; V68-F556 HydrophobicContact CG2-CZ 3.65Å; F556-A558 HydrophobicContact CE1-CB 4.37Å; F556-A558 HydrophobicContact CE2-CB 3.86Å; F556-A558 HydrophobicContact CZ-CB 3.48Å; F556-A558 VanDerWaalsContact CZ-CB 3.48Å; F556-N586 WeakPolarHBondContact CA-O 3.13Å; F556-I588 HydrophobicContact CE2-CB 4.17Å; F556-I588 HydrophobicContact CE2-CD1 3.63Å; F556-I588 HydrophobicContact CE2-CG1 3.8Å; F556-I588 HydrophobicContact CZ-CD1 4.11Å; F556-Y714 HydrophobicContact CB-CE1 4.06Å; F556-Y714 AromaticContact CD2-CD1 3.76Å; F556-Y714 HydrophobicContact CD2-CD1 3.76Å; F556-Y714 AromaticContact CD2-CE1 3.53Å; F556-Y714 HydrophobicContact CD2-CE1 3.53Å; F556-Y714 HydrophobicContact CE2-CD1 4.06Å; F556-Y714 HydrophobicContact CE2-CE1 4.24Å; F556-Y714 AromaticContact CG-CE1 3.96Å; F556-Y714 HydrophobicContact CG-CE1 3.96Å
557I97.8Very high92.2Very high0 Ų035.8 Ų35.80%018%0.175CC..EExtended strand (participates in β ladder)trans-138.2156.3164.965.3162.7000111.2Y44 W567 F568 L571 F584 N586 V587 I588Y44-I557 HydrophobicContact CD2-CG2 4.41Å; Y44-I557 HydrophobicContact CG-CG2 4.49Å; I557-W567 HydrophobicContact CB-CZ3 4.21Å; I557-W567 HydrophobicContact CD1-CZ3 4.04Å; I557-W567 HydrophobicContact CG2-CH2 4.22Å; I557-W567 HydrophobicContact CG2-CZ3 4.33Å; I557-F568 HydrophobicContact CD1-CD1 3.59Å; I557-F568 HydrophobicContact CD1-CE1 3.53Å; I557-F568 HydrophobicContact CG1-CE1 4.38Å; I557-L571 HydrophobicContact CD1-CD1 4.28Å; I557-F584 HydrophobicContact CD1-CB 4.49Å; I557-F584 HydrophobicContact CD1-CD1 3.2Å; I557-F584 HydrophobicContact CD1-CD2 4.37Å; I557-F584 HydrophobicContact CD1-CE1 3.32Å; I557-F584 HydrophobicContact CD1-CE2 4.49Å; I557-F584 HydrophobicContact CD1-CG 3.78Å; I557-F584 HydrophobicContact CD1-CZ 4Å; I557-F584 HydrophobicContact CG1-CB 4.27Å; I557-F584 HydrophobicContact CG1-CD1 3.87Å; I557-F584 HydrophobicContact CG1-CD2 4.48Å; I557-F584 HydrophobicContact CG1-CE1 4.35Å; I557-F584 HydrophobicContact CG1-CG 3.94Å; I557-F584 HydrophobicContact CG2-CB 4.29Å; I557-F584 HydrophobicContact CG2-CD1 4.47Å; I557-N586 PolarHBondContact N-O 3.36Å; I557-V587 HydrophobicContact CD1-CG1 4.33Å; I557-V587 HydrophobicContact CD1-CG2 4.15Å; I557-V587 HydrophobicContact CG1-CB 4.32Å; I557-V587 HydrophobicContact CG1-CG1 4.11Å; I557-V587 HydrophobicContact CG1-CG2 3.88Å; I557-V587 WeakPolarHBondContact O-CA 3.34Å; I557-I588 PolarHBondContact O-N 3.22Å
558A96.9Very high92.5Very high0 Ų032.5 Ų32.50%016%0.16CC..EExtended strand (participates in β ladder)trans-150.2126.3172.800000113I64 K65 F556 I588I64-A558 HydrophobicContact CG2-CB 3.73Å; K65-A558 WeakPolarHBondContact CD-O 3.42Å; K65-A558 HydrophobicContact CG-CB 4.04Å; F556-A558 HydrophobicContact CE1-CB 4.37Å; F556-A558 HydrophobicContact CE2-CB 3.86Å; F556-A558 HydrophobicContact CZ-CB 3.48Å; F556-A558 VanDerWaalsContact CZ-CB 3.48Å; A558-I588 VanDerWaalsContact CA-O 3.22Å; A558-I588 WeakPolarHBondContact CA-O 3.39Å; A558-I588 HydrophobicContact CB-CB 3.91Å
559E95.4Very high92.4Very high26 Ų2633.1 Ų33.112%0.12116%0.162CC..EExtended strand (participates in β ladder)trans-150.5176.1176.5-62.8-60.6152.100111.6G46 K65 Q563 W567 F568 I588 V589 N590G46-E559 VanDerWaalsContact CA-OE1 3.3Å; G46-E559 WeakPolarHBondContact CA-OE1 3.27Å; G46-E559 PolarHBondContact N-OE1 3.16Å; K65-E559 IonicContact NZ-OE1 3.37Å; K65-E559 PolarHBondContact NZ-OE1 3.42Å; K65-E559 IonicContact NZ-OE2 2.75Å; E559-Q563 HydrophobicContact CB-CB 4.08Å; E559-Q563 HydrophobicContact CB-CG 3.58Å; E559-Q563 HydrophobicContact CG-CG 4.27Å; E559-W567 HydrophobicContact CG-CE3 3.84Å; E559-W567 HydrophobicContact CG-CZ3 3.99Å; E559-F568 HydrophobicContact CB-CE1 3.83Å; E559-F568 HydrophobicContact CB-CZ 3.65Å; E559-F568 HydrophobicContact CG-CE1 4.12Å; E559-F568 HydrophobicContact CG-CZ 4.42Å; E559-I588 PolarHBondContact N-O 3.39Å; E559-V589 WeakPolarHBondContact O-CA 3.48Å; E559-N590 PolarHBondContact O-N 3.05Å; E559-N590 VanDerWaalsContact O-N 3.1Å; E559-N590 PolarHBondContact O-OD1 3.4Å; E559-N590 VanDerWaalsContact O-OD1 3.13Å
560G91.1Very high92.4Very high7 Ų729 Ų297%0.07214%0.143CC..EExtended strand (participates in β ladder)trans-65.5156.6178.200000114.7D562 Q563 N590G560-D562 VanDerWaalsContact C-OD1 3.28Å; G560-D562 WeakPolarHBondContact CA-OD1 3.36Å; G560-D562 PolarHBondContact O-N 3.49Å; G560-D562 VanDerWaalsContact O-N 3.1Å; G560-Q563 VanDerWaalsContact O-CB 3.31Å; G560-Q563 WeakPolarHBondContact O-CB 3.46Å; G560-Q563 PolarHBondContact O-N 2.9Å; G560-N590 CarbonylContact C-O 3.56Å; G560-N590 WeakPolarHBondContact CA-O 3.5Å; G560-N590 PolarHBondContact N-OD1 3.45Å
561I91.3Very high92.8Very high29 Ų2923.4 Ų23.415%0.14911%0.113CC..G310 helixtrans-57.2-25.4178.8-165.4176.4000113.3Q563 T564 V589 N590 L592 A635I561-Q563 PolarHBondContact O-N 3.35Å; I561-T564 WeakPolarHBondContact O-CB 3.48Å; I561-T564 WeakPolarHBondContact O-CG2 3.39Å; I561-T564 PolarHBondContact O-N 3.23Å; I561-T564 PolarHBondContact O-OG1 3.37Å; I561-V589 VanDerWaalsContact CA-CG1 3.5Å; I561-V589 HydrophobicContact CB-CG1 3.89Å; I561-V589 HydrophobicContact CG1-CG1 4.15Å; I561-N590 PolarHBondContact N-O 3.37Å; I561-L592 HydrophobicContact CG2-CD2 4.26Å; I561-L592 HydrophobicContact CG2-CG 4.11Å; I561-A635 HydrophobicContact CD1-CB 4.19Å
562D81.4Confident93.1Very high88 Ų8822.2 Ų22.247%0.47111%0.105SC..G310 helixtrans-62.2-26.4173.155.1-59.7000113G560 T564 R565G560-D562 VanDerWaalsContact C-OD1 3.28Å; G560-D562 WeakPolarHBondContact CA-OD1 3.36Å; G560-D562 PolarHBondContact O-N 3.49Å; G560-D562 VanDerWaalsContact O-N 3.1Å; D562-T564 PolarHBondContact O-N 2.97Å; D562-R565 PolarHBondContact O-N 2.82Å
563Q89.2Confident93.1Very high31 Ų3121.1 Ų21.115%0.14510%0.101CC..G310 helixtrans-71.6-9.8178.1-60.2-50.6-46.700114E559 G560 I561 R565 G566 W567 F568E559-Q563 HydrophobicContact CB-CB 4.08Å; E559-Q563 HydrophobicContact CB-CG 3.58Å; E559-Q563 HydrophobicContact CG-CG 4.27Å; G560-Q563 VanDerWaalsContact O-CB 3.31Å; G560-Q563 WeakPolarHBondContact O-CB 3.46Å; G560-Q563 PolarHBondContact O-N 2.9Å; I561-Q563 PolarHBondContact O-N 3.35Å; Q563-R565 PolarHBondContact O-N 3.14Å; Q563-R565 VanDerWaalsContact O-N 3.13Å; Q563-G566 CarbonylContact O-C 3.59Å; Q563-G566 PolarHBondContact O-N 2.62Å; Q563-W567 PolarHBondContact O-N 2.91Å; Q563-W567 VanDerWaalsContact OE1-CB 3.26Å; Q563-F568 HydrophobicContact CB-CD1 4.23Å; Q563-F568 HydrophobicContact CB-CD2 3.86Å; Q563-F568 HydrophobicContact CB-CE1 4.19Å; Q563-F568 HydrophobicContact CB-CE2 3.81Å; Q563-F568 HydrophobicContact CB-CG 4.08Å; Q563-F568 HydrophobicContact CB-CZ 4Å; Q563-F568 WeakPolarHBondContact O-CB 3.33Å; Q563-F568 PolarHBondContact O-N 3.05Å; Q563-F568 VanDerWaalsContact O-N 3.12Å
564T87.9Confident93.2Very high9 Ų919.7 Ų19.76%0.0559%0.092CC..G310 helixtrans-59.5-19.8167.758.10000113.1W435 V440 F445 I561 D562 F568W435-T564 HydrophobicContact CZ3-CG2 4.39Å; V440-T564 HydrophobicContact CG1-CG2 3.71Å; F445-T564 HydrophobicContact CB-CG2 4.49Å; F445-T564 HydrophobicContact CD2-CG2 4.49Å; F445-T564 WeakPolarHBondContact CD2-O 3.33Å; F445-T564 VanDerWaalsContact CE2-O 3.23Å; F445-T564 WeakPolarHBondContact CE2-O 3.31Å; I561-T564 WeakPolarHBondContact O-CB 3.48Å; I561-T564 WeakPolarHBondContact O-CG2 3.39Å; I561-T564 PolarHBondContact O-N 3.23Å; I561-T564 PolarHBondContact O-OG1 3.37Å; D562-T564 PolarHBondContact O-N 2.97Å; T564-F568 HydrophobicContact CG2-CD2 4.28Å
565R81.9Confident93.2Very high167 Ų16719.8 Ų19.863%0.639%0.092SC*.G310 helixtrans-115.26.5174.2-62.5178.7177.7147.3-5.1113.2W448 D562 Q563W448-R565 HydrophobicContact CD2-CG 4.18Å; W448-R565 HydrophobicContact CE3-CG 4.43Å; W448-R565 HydrophobicContact CZ2-CG 4.42Å; D562-R565 PolarHBondContact O-N 2.82Å; Q563-R565 PolarHBondContact O-N 3.14Å; Q563-R565 VanDerWaalsContact O-N 3.13Å
566G86.5Confident93.2Very high2 Ų219 Ų192%0.0219%0.089CC..THydrogen-bonded Turntrans-125.3-113-177.200000110Q563 F568 Y569 T570Q563-G566 CarbonylContact O-C 3.59Å; Q563-G566 PolarHBondContact O-N 2.62Å; G566-F568 PolarHBondContact O-N 2.91Å; G566-Y569 WeakPolarHBondContact O-CB 3.33Å; G566-Y569 PolarHBondContact O-N 3.16Å; G566-T570 PolarHBondContact O-N 2.83Å; G566-T570 VanDerWaalsContact O-N 3.16Å
567W92.8Very high93.1Very high4 Ų419.6 Ų19.62%0.0159%0.093CC..Hα-helixtrans-62-41.7-169.6-167.655.7000114.2G46 W527 S530 M533 I557 E559 Q563 Y569 T570 L571G46-W567 VanDerWaalsContact CA-CH2 3.47Å; W527-W567 HydrophobicContact CZ3-CB 4.11Å; W527-W567 VanDerWaalsContact CZ3-N 3.33Å; S530-W567 PolarHBondContact O-NE1 2.86Å; M533-W567 HydrophobicContact SD-CZ2 4.44Å; I557-W567 HydrophobicContact CB-CZ3 4.21Å; I557-W567 HydrophobicContact CD1-CZ3 4.04Å; I557-W567 HydrophobicContact CG2-CH2 4.22Å; I557-W567 HydrophobicContact CG2-CZ3 4.33Å; E559-W567 HydrophobicContact CG-CE3 3.84Å; E559-W567 HydrophobicContact CG-CZ3 3.99Å; Q563-W567 PolarHBondContact O-N 2.91Å; Q563-W567 VanDerWaalsContact OE1-CB 3.26Å; W567-Y569 VanDerWaalsContact C-N 3.26Å; W567-Y569 PolarHBondContact O-N 3.29Å; W567-T570 PolarHBondContact O-N 2.94Å; W567-T570 PolarHBondContact O-OG1 3.21Å; W567-L571 HydrophobicContact CD2-CD1 3.56Å; W567-L571 HydrophobicContact CD2-CG 4.15Å; W567-L571 VanDerWaalsContact CE2-CD1 3.48Å; W567-L571 HydrophobicContact CE3-CD1 3.8Å; W567-L571 HydrophobicContact CG-CD1 4.15Å; W567-L571 HydrophobicContact CG-CG 4.3Å; W567-L571 HydrophobicContact CH2-CD1 3.93Å; W567-L571 HydrophobicContact CZ2-CD1 3.69Å; W567-L571 HydrophobicContact CZ2-CD2 4.23Å; W567-L571 HydrophobicContact CZ2-CG 4.34Å; W567-L571 HydrophobicContact CZ3-CD1 3.98Å; W567-L571 WeakPolarHBondContact O-CB 3.33Å; W567-L571 VanDerWaalsContact O-CG 3.25Å; W567-L571 WeakPolarHBondContact O-CG 3.46Å; W567-L571 PolarHBondContact O-N 2.9Å
568F95.2Very high93.1Very high0 Ų020.4 Ų20.40%010%0.097CC..Hα-helixtrans-62-38.3178.7-57.6-27.5000111.8W435 F445 I557 E559 Q563 T564 G566 L572 V587 V589W435-F568 HydrophobicContact CH2-CB 4.28Å; W435-F568 AromaticContact CH2-CD2 3.96Å; W435-F568 HydrophobicContact CH2-CD2 3.96Å; W435-F568 HydrophobicContact CH2-CG 4.34Å; W435-F568 AromaticContact CZ3-CD2 3.96Å; W435-F568 HydrophobicContact CZ3-CD2 3.96Å; W435-F568 HydrophobicContact CZ3-CE2 4.27Å; F445-F568 HydrophobicContact CE2-CB 4.2Å; F445-F568 HydrophobicContact CZ-CB 4.2Å; I557-F568 HydrophobicContact CD1-CD1 3.59Å; I557-F568 HydrophobicContact CD1-CE1 3.53Å; I557-F568 HydrophobicContact CG1-CE1 4.38Å; E559-F568 HydrophobicContact CB-CE1 3.83Å; E559-F568 HydrophobicContact CB-CZ 3.65Å; E559-F568 HydrophobicContact CG-CE1 4.12Å; E559-F568 HydrophobicContact CG-CZ 4.42Å; Q563-F568 HydrophobicContact CB-CD1 4.23Å; Q563-F568 HydrophobicContact CB-CD2 3.86Å; Q563-F568 HydrophobicContact CB-CE1 4.19Å; Q563-F568 HydrophobicContact CB-CE2 3.81Å; Q563-F568 HydrophobicContact CB-CG 4.08Å; Q563-F568 HydrophobicContact CB-CZ 4Å; Q563-F568 WeakPolarHBondContact O-CB 3.33Å; Q563-F568 PolarHBondContact O-N 3.05Å; Q563-F568 VanDerWaalsContact O-N 3.12Å; T564-F568 HydrophobicContact CG2-CD2 4.28Å; G566-F568 PolarHBondContact O-N 2.91Å; F568-L572 WeakPolarHBondContact O-CB 3.08Å; F568-L572 PolarHBondContact O-N 3.35Å; F568-V587 HydrophobicContact CE1-CG1 4.11Å; F568-V587 HydrophobicContact CE2-CG1 4.12Å; F568-V587 HydrophobicContact CZ-CG1 3.79Å; F568-V589 HydrophobicContact CE2-CG2 3.88Å; F568-V589 HydrophobicContact CZ-CG2 4.4Å
569Y92.9Very high93.1Very high20 Ų2023.1 Ų23.18%0.07811%0.109CC..Hα-helixtrans-64.9-51177.9173.9-105.4000111W448 L449 A452 G566 W567 L572 V573W448-Y569 AromaticContact CD1-CD2 3.81Å; W448-Y569 AromaticContact NE1-CD2 3.57Å; W448-Y569 AromaticContact NE1-CE2 3.81Å; W448-Y569 AromaticContact NE1-CG 3.95Å; L449-Y569 HydrophobicContact CD2-CD2 3.87Å; L449-Y569 HydrophobicContact CD2-CE2 4.04Å; A452-Y569 HydrophobicContact CB-CE2 4.31Å; G566-Y569 WeakPolarHBondContact O-CB 3.33Å; G566-Y569 PolarHBondContact O-N 3.16Å; W567-Y569 VanDerWaalsContact C-N 3.26Å; W567-Y569 PolarHBondContact O-N 3.29Å; Y569-L572 PolarHBondContact O-N 2.68Å; Y569-V573 HydrophobicContact CD1-CG2 4.44Å; Y569-V573 HydrophobicContact CD2-CG2 4.12Å; Y569-V573 HydrophobicContact CE1-CG2 4.08Å; Y569-V573 HydrophobicContact CE2-CG2 3.74Å; Y569-V573 HydrophobicContact CG-CG2 4.47Å; Y569-V573 VanDerWaalsContact O-CG2 3.32Å; Y569-V573 WeakPolarHBondContact O-CG2 3.45Å; Y569-V573 PolarHBondContact O-N 3.35Å
570T93.8Very high93.1Very high3 Ų324 Ų242%0.01813%0.125CC..Hα-helixtrans-71.2-36.3-175.558.70000113.2W455 W527 G531 G566 W567 L572 V573 L574W455-T570 HydrophobicContact CH2-CG2 3.38Å; W455-T570 HydrophobicContact CZ2-CG2 3.57Å; W455-T570 HydrophobicContact CZ3-CG2 4.01Å; W527-T570 HydrophobicContact CB-CG2 3.8Å; W527-T570 WeakPolarHBondContact O-CB 3.48Å; W527-T570 PolarHBondContact O-OG1 2.75Å; W527-T570 VanDerWaalsContact O-OG1 3.1Å; G531-T570 WeakPolarHBondContact CA-OG1 3.45Å; G566-T570 PolarHBondContact O-N 2.83Å; G566-T570 VanDerWaalsContact O-N 3.16Å; W567-T570 PolarHBondContact O-N 2.94Å; W567-T570 PolarHBondContact O-OG1 3.21Å; T570-L572 VanDerWaalsContact C-N 3.33Å; T570-L572 PolarHBondContact O-N 2.82Å; T570-V573 PolarHBondContact O-N 3.37Å; T570-L574 WeakPolarHBondContact O-CB 3.31Å; T570-L574 WeakPolarHBondContact O-CG 3.26Å; T570-L574 PolarHBondContact O-N 2.9Å
571L97.9Very high93.3Very high2 Ų229.1 Ų29.11%0.0115%0.145CC..Hα-helixtrans-55-49.1169.6-76.3175.4000111.3P534 I557 W567 S575 P583 F584P534-L571 HydrophobicContact CG-CD2 3.36Å; I557-L571 HydrophobicContact CD1-CD1 4.28Å; W567-L571 HydrophobicContact CD2-CD1 3.56Å; W567-L571 HydrophobicContact CD2-CG 4.15Å; W567-L571 VanDerWaalsContact CE2-CD1 3.48Å; W567-L571 HydrophobicContact CE3-CD1 3.8Å; W567-L571 HydrophobicContact CG-CD1 4.15Å; W567-L571 HydrophobicContact CG-CG 4.3Å; W567-L571 HydrophobicContact CH2-CD1 3.93Å; W567-L571 HydrophobicContact CZ2-CD1 3.69Å; W567-L571 HydrophobicContact CZ2-CD2 4.23Å; W567-L571 HydrophobicContact CZ2-CG 4.34Å; W567-L571 HydrophobicContact CZ3-CD1 3.98Å; W567-L571 WeakPolarHBondContact O-CB 3.33Å; W567-L571 VanDerWaalsContact O-CG 3.25Å; W567-L571 WeakPolarHBondContact O-CG 3.46Å; W567-L571 PolarHBondContact O-N 2.9Å; L571-S575 WeakPolarHBondContact O-CB 3.42Å; L571-S575 PolarHBondContact O-N 3.25Å; L571-P583 HydrophobicContact CB-CB 4.1Å; L571-P583 HydrophobicContact CB-CG 3.84Å; L571-F584 HydrophobicContact CB-CE1 4.37Å; L571-F584 HydrophobicContact CD1-CD1 4.19Å; L571-F584 HydrophobicContact CD1-CE1 4.02Å
572L97.4Very high93.6Very high1 Ų128.5 Ų28.51%0.00514%0.143CC..Hα-helixtrans-67-43.6-177.4-174.168.8000111.5L426 C429 N430 F445 L449 F568 Y569 T570 T576 P583L426-L572 HydrophobicContact CB-CD2 4.42Å; L426-L572 HydrophobicContact CD2-CD2 4.38Å; L426-L572 HydrophobicContact CD2-CG 4.03Å; C429-L572 HydrophobicContact CB-CD1 3.7Å; N430-L572 HydrophobicContact CB-CD2 4.03Å; F445-L572 HydrophobicContact CE1-CD2 3.7Å; F445-L572 HydrophobicContact CZ-CB 4.49Å; F445-L572 HydrophobicContact CZ-CD2 4.01Å; L449-L572 HydrophobicContact CD1-CD2 3.71Å; L449-L572 HydrophobicContact CD2-CD2 4.18Å; F568-L572 WeakPolarHBondContact O-CB 3.08Å; F568-L572 PolarHBondContact O-N 3.35Å; Y569-L572 PolarHBondContact O-N 2.68Å; T570-L572 VanDerWaalsContact C-N 3.33Å; T570-L572 PolarHBondContact O-N 2.82Å; L572-T576 WeakPolarHBondContact O-CB 3.45Å; L572-T576 PolarHBondContact O-N 2.83Å; L572-T576 PolarHBondContact O-OG1 3.39Å; L572-P583 HydrophobicContact CD1-CG 4.48Å
573V96.1Very high94.4Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-59.9-53.2178.41690000110.9V419 L426 W455 Y569 T570 T576 A577V419-V573 HydrophobicContact CG1-CG2 4.22Å; V419-V573 HydrophobicContact CG2-CG1 3.96Å; L426-V573 HydrophobicContact CD1-CG2 4.17Å; L426-V573 HydrophobicContact CD2-CG2 4.11Å; W455-V573 HydrophobicContact CE3-CG1 4.28Å; W455-V573 HydrophobicContact CZ3-CG1 4.47Å; Y569-V573 HydrophobicContact CD1-CG2 4.44Å; Y569-V573 HydrophobicContact CD2-CG2 4.12Å; Y569-V573 HydrophobicContact CE1-CG2 4.08Å; Y569-V573 HydrophobicContact CE2-CG2 3.74Å; Y569-V573 HydrophobicContact CG-CG2 4.47Å; Y569-V573 VanDerWaalsContact O-CG2 3.32Å; Y569-V573 WeakPolarHBondContact O-CG2 3.45Å; Y569-V573 PolarHBondContact O-N 3.35Å; T570-V573 PolarHBondContact O-N 3.37Å; V573-T576 PolarHBondContact O-N 3.22Å; V573-A577 VanDerWaalsContact O-CB 3.27Å; V573-A577 WeakPolarHBondContact O-CB 3.19Å; V573-A577 PolarHBondContact O-N 3.01Å
574L98.1Very high94.8Very high0 Ų022.9 Ų22.90%011%0.114CC..Hα-helixtrans-67.5-43.7-176.5-66.4170.7000111.5V162 L166 W455 F528 G531 Y535 T570 T576 A577 L578V162-L574 HydrophobicContact CG1-CD2 4.14Å; L166-L574 HydrophobicContact CD1-CD2 3.79Å; W455-L574 HydrophobicContact CH2-CD1 4.39Å; W455-L574 HydrophobicContact CZ3-CD1 4.35Å; W455-L574 HydrophobicContact CZ3-CD2 4.15Å; W455-L574 HydrophobicContact CZ3-CG 4.16Å; F528-L574 HydrophobicContact CD2-CD2 4.17Å; F528-L574 HydrophobicContact CE2-CD2 3.71Å; F528-L574 HydrophobicContact CZ-CD2 4.17Å; G531-L574 VanDerWaalsContact C-CD1 3.46Å; Y535-L574 WeakPolarHBondContact OH-CB 3.42Å; Y535-L574 WeakPolarHBondContact OH-CD1 3.4Å; T570-L574 WeakPolarHBondContact O-CB 3.31Å; T570-L574 WeakPolarHBondContact O-CG 3.26Å; T570-L574 PolarHBondContact O-N 2.9Å; L574-T576 VanDerWaalsContact C-N 3.34Å; L574-T576 PolarHBondContact O-N 2.86Å; L574-A577 PolarHBondContact O-N 3.1Å; L574-L578 VanDerWaalsContact O-CB 3.3Å; L574-L578 WeakPolarHBondContact O-CB 3.32Å; L574-L578 VanDerWaalsContact O-CG 3.24Å; L574-L578 WeakPolarHBondContact O-CG 3.46Å; L574-L578 PolarHBondContact O-N 3.27Å
575S98.1Very high95.3Very high2 Ų226.8 Ų26.81%0.01413%0.13CC..Hα-helixtrans-59.1-43.6175.6178.90000112.8F552 L571 F579 G580 K581F552-S575 VanDerWaalsContact CZ-OG 3.28Å; F552-S575 WeakPolarHBondContact CZ-OG 3.33Å; L571-S575 WeakPolarHBondContact O-CB 3.42Å; L571-S575 PolarHBondContact O-N 3.25Å; S575-F579 WeakPolarHBondContact O-CA 3.36Å; S575-F579 WeakPolarHBondContact O-CB 3.32Å; S575-F579 PolarHBondContact O-N 2.84Å; S575-G580 PolarHBondContact O-N 3.12Å; S575-K581 CarbonylContact C-O 3.6Å; S575-K581 WeakPolarHBondContact CB-O 3.46Å; S575-K581 PolarHBondContact OG-O 2.98Å
576T97.4Very high96Very high9 Ų920.2 Ų20.26%0.05511%0.108CC..Hα-helixtrans-68.2-42.7179.3-58.60000111K425 L426 C429 L572 V573 L574 G580K425-T576 HydrophobicContact CB-CG2 3.74Å; L426-T576 HydrophobicContact CD2-CG2 3.98Å; C429-T576 PolarHBondContact SG-OG1 3.05Å; L572-T576 WeakPolarHBondContact O-CB 3.45Å; L572-T576 PolarHBondContact O-N 2.83Å; L572-T576 PolarHBondContact O-OG1 3.39Å; V573-T576 PolarHBondContact O-N 3.22Å; L574-T576 VanDerWaalsContact C-N 3.34Å; L574-T576 PolarHBondContact O-N 2.86Å; T576-G580 VanDerWaalsContact O-CA 3.31Å; T576-G580 WeakPolarHBondContact O-CA 3.41Å; T576-G580 PolarHBondContact O-N 3.22Å
577A96.8Very high96.6Very high12 Ų1220.2 Ų20.210%0.09911%0.107CC..Hα-helixtrans-66.8-37.917900000113L166 K169 L171 M422 V573 L574L166-A577 HydrophobicContact CD2-CB 3.52Å; K169-A577 PolarHBondContact NZ-O 3.2Å; L171-A577 HydrophobicContact CD1-CB 4.04Å; M422-A577 HydrophobicContact CE-CB 3.75Å; M422-A577 HydrophobicContact SD-CB 4.15Å; V573-A577 VanDerWaalsContact O-CB 3.27Å; V573-A577 WeakPolarHBondContact O-CB 3.19Å; V573-A577 PolarHBondContact O-N 3.01Å; L574-A577 PolarHBondContact O-N 3.1Å
578L96.9Very high96.8Very high16 Ų1620.1 Ų20.18%0.08411%0.107CC..Hα-helixtrans-81.6-49.5-178.6-67.6172.7000112.1W161 V162 Q165 L166 K169 Y535 L574W161-L578 HydrophobicContact CH2-CD2 4.49Å; W161-L578 HydrophobicContact CZ3-CD1 4.33Å; V162-L578 HydrophobicContact CB-CD1 4.38Å; V162-L578 HydrophobicContact CG1-CD1 3.97Å; V162-L578 HydrophobicContact CG1-CD2 4.44Å; V162-L578 HydrophobicContact CG2-CD1 3.66Å; Q165-L578 HydrophobicContact CB-CD2 3.58Å; Q165-L578 HydrophobicContact CG-CD2 4.22Å; L166-L578 HydrophobicContact CD2-CD2 4.17Å; K169-L578 PolarHBondContact NZ-O 2.85Å; Y535-L578 HydrophobicContact CD1-CD1 4.48Å; Y535-L578 HydrophobicContact CE1-CD1 3.83Å; L574-L578 VanDerWaalsContact O-CB 3.3Å; L574-L578 WeakPolarHBondContact O-CB 3.32Å; L574-L578 VanDerWaalsContact O-CG 3.24Å; L574-L578 WeakPolarHBondContact O-CG 3.46Å; L574-L578 PolarHBondContact O-N 3.27Å
579F96.4Very high96.8Very high58 Ų5820.1 Ų20.125%0.25411%0.107SC..Hα-helixtrans-122.1-10.7-164.6-52.4-67.6000114.6W161 Y535 Y540 F548 F552 S575 K581W161-F579 HydrophobicContact CH2-CE1 4.47Å; W161-F579 HydrophobicContact CH2-CZ 4.16Å; Y535-F579 HydrophobicContact CD1-CE2 4.13Å; Y540-F579 HydrophobicContact CE1-CE1 4.33Å; Y540-F579 HydrophobicContact CE1-CZ 4.04Å; F548-F579 HydrophobicContact CE1-CE1 4.41Å; F548-F579 HydrophobicContact CE1-CE2 4.3Å; F548-F579 AromaticContact CE1-CZ 3.93Å; F548-F579 HydrophobicContact CE1-CZ 3.93Å; F548-F579 HydrophobicContact CZ-CE2 4.1Å; F548-F579 HydrophobicContact CZ-CZ 4.17Å; F552-F579 HydrophobicContact CE1-CB 4.37Å; F552-F579 AromaticContact CE1-CD2 3.97Å; F552-F579 HydrophobicContact CE1-CD2 3.97Å; F552-F579 HydrophobicContact CE1-CG 4.33Å; F552-F579 HydrophobicContact CZ-CD2 4.24Å; S575-F579 WeakPolarHBondContact O-CA 3.36Å; S575-F579 WeakPolarHBondContact O-CB 3.32Å; S575-F579 PolarHBondContact O-N 2.84Å; F579-K581 PolarHBondContact O-N 2.89Å
580G96.3Very high96.9Very high44 Ų4419.4 Ų19.445%0.45411%0.105SC..SBendtrans63.826.6-176.600000113.8S575 T576S575-G580 PolarHBondContact O-N 3.12Å; T576-G580 VanDerWaalsContact O-CA 3.31Å; T576-G580 WeakPolarHBondContact O-CA 3.41Å; T576-G580 PolarHBondContact O-N 3.22Å
581K96.2Very high96.9Very high114 Ų11419.3 Ų19.350%0.49611%0.105SC..SBendtrans-129.2158-177.8-69179.5-177.51800110.3F552 S575 F579F552-K581 HydrophobicContact CE1-CB 4.36Å; S575-K581 CarbonylContact C-O 3.6Å; S575-K581 WeakPolarHBondContact CB-O 3.46Å; S575-K581 PolarHBondContact OG-O 2.98Å; F579-K581 PolarHBondContact O-N 2.89Å
582P97.5Very high96.4Very high16 Ų1622.2 Ų22.210%0.10412%0.12CC..  trans-67.5149.7167.329.4-34.5000110.6C429 K432 C433 P553C429-P582 HydrophobicContact CB-CB 4.39Å; K432-P582 HydrophobicContact CB-CG 4.29Å; C433-P582 VanDerWaalsContact SG-CB 3.54Å; P553-P582 VanDerWaalsContact CB-O 3.31Å; P553-P582 WeakPolarHBondContact CB-O 3.3Å
583P97.1Very high96.1Very high1 Ų122.8 Ų22.81%0.00612%0.123CC..SBendtrans-76.8-20177.327.4-33.8000114F552 A554 L571 L572F552-P583 HydrophobicContact CE2-CB 4.38Å; A554-P583 PolarHBondContact N-O 3.24Å; L571-P583 HydrophobicContact CB-CB 4.1Å; L571-P583 HydrophobicContact CB-CG 3.84Å; L572-P583 HydrophobicContact CD1-CG 4.48Å
584F97.7Very high95.8Very high1 Ų123.7 Ų23.70%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-148.3157.1-175.846.1-108.1000111C433 W435 A554 I557 L571 V587C433-F584 HydrophobicContact CB-CD2 4.28Å; C433-F584 HydrophobicContact CB-CE2 4.04Å; C433-F584 PolarHBondContact SG-O 3.12Å; C433-F584 VanDerWaalsContact SG-O 3.34Å; W435-F584 HydrophobicContact CZ2-CE2 4.45Å; W435-F584 HydrophobicContact CZ2-CZ 4.46Å; A554-F584 HydrophobicContact CB-CB 4.48Å; A554-F584 CarbonylContact O-C 3.53Å; A554-F584 VanDerWaalsContact O-CA 3.26Å; A554-F584 WeakPolarHBondContact O-CA 3.39Å; I557-F584 HydrophobicContact CD1-CB 4.49Å; I557-F584 HydrophobicContact CD1-CD1 3.2Å; I557-F584 HydrophobicContact CD1-CD2 4.37Å; I557-F584 HydrophobicContact CD1-CE1 3.32Å; I557-F584 HydrophobicContact CD1-CE2 4.49Å; I557-F584 HydrophobicContact CD1-CG 3.78Å; I557-F584 HydrophobicContact CD1-CZ 4Å; I557-F584 HydrophobicContact CG1-CB 4.27Å; I557-F584 HydrophobicContact CG1-CD1 3.87Å; I557-F584 HydrophobicContact CG1-CD2 4.48Å; I557-F584 HydrophobicContact CG1-CE1 4.35Å; I557-F584 HydrophobicContact CG1-CG 3.94Å; I557-F584 HydrophobicContact CG2-CB 4.29Å; I557-F584 HydrophobicContact CG2-CD1 4.47Å; L571-F584 HydrophobicContact CB-CE1 4.37Å; L571-F584 HydrophobicContact CD1-CD1 4.19Å; L571-F584 HydrophobicContact CD1-CE1 4.02Å; F584-V587 HydrophobicContact CD2-CG2 3.2Å; F584-V587 HydrophobicContact CE1-CG2 4.47Å; F584-V587 HydrophobicContact CE2-CG2 3.05Å; F584-V587 HydrophobicContact CG-CG2 4.04Å; F584-V587 HydrophobicContact CZ-CG2 3.75Å
585K98.1Very high95.4Very high90 Ų9023.7 Ų23.739%0.39113%0.128SC..EExtended strand (participates in β ladder)trans-90.8-48.7176-58.7176.7-164.6162.60111.7C433 Y434 P553 A554 D555C433-K585 WeakPolarHBondContact CA-O 3.39Å; Y434-K585 PolarHBondContact N-O 3.31Å; P553-K585 HydrophobicContact CG-CG 3.98Å; A554-K585 PolarHBondContact O-N 2.67Å; D555-K585 WeakPolarHBondContact OD1-CE 3.32Å; D555-K585 IonicContact OD1-NZ 3.11Å; D555-K585 PolarHBondContact OD1-NZ 3.41Å
586N98Very high94.8Very high30 Ų3027.2 Ų27.216%0.1615%0.153CC..EExtended strand (participates in β ladder)trans-123.7138.5-174.8-52.4-77.5000112.4Y434 D555 F556 I557 Y714Y434-N586 WeakPolarHBondContact CD1-OD1 3.38Å; Y434-N586 CarbonylContact O-C 3.52Å; Y434-N586 WeakPolarHBondContact O-CA 3.48Å; D555-N586 VanDerWaalsContact O-CB 3.29Å; D555-N586 WeakPolarHBondContact O-CB 3.4Å; D555-N586 PolarHBondContact O-N 3.28Å; D555-N586 VanDerWaalsContact O-N 3.14Å; D555-N586 PolarHBondContact O-ND2 3.38Å; F556-N586 WeakPolarHBondContact CA-O 3.13Å; I557-N586 PolarHBondContact N-O 3.36Å; N586-Y714 HydrophobicContact CB-CD1 4.45Å; N586-Y714 HydrophobicContact CB-CD2 4.02Å; N586-Y714 HydrophobicContact CB-CE1 4.09Å; N586-Y714 HydrophobicContact CB-CE2 3.62Å; N586-Y714 HydrophobicContact CB-CG 4.42Å; N586-Y714 PolarHBondContact ND2-OH 3.11Å; N586-Y714 WeakPolarHBondContact OD1-CE2 3.36Å
587V97.3Very high94.2Very high1 Ų130.9 Ų30.91%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-129.5125.3179.2-171.60000110.5Y434 W435 V436 I557 F568 F584 V589Y434-V587 PolarHBondContact O-N 2.95Å; W435-V587 HydrophobicContact CD2-CB 4.22Å; W435-V587 HydrophobicContact CD2-CG2 4.42Å; W435-V587 HydrophobicContact CE3-CB 4.3Å; W435-V587 HydrophobicContact CE3-CG1 4.14Å; W435-V587 HydrophobicContact CG-CB 4.5Å; W435-V587 HydrophobicContact CZ3-CG1 4.23Å; V436-V587 PolarHBondContact N-O 3.4Å; I557-V587 HydrophobicContact CD1-CG1 4.33Å; I557-V587 HydrophobicContact CD1-CG2 4.15Å; I557-V587 HydrophobicContact CG1-CB 4.32Å; I557-V587 HydrophobicContact CG1-CG1 4.11Å; I557-V587 HydrophobicContact CG1-CG2 3.88Å; I557-V587 WeakPolarHBondContact O-CA 3.34Å; F568-V587 HydrophobicContact CE1-CG1 4.11Å; F568-V587 HydrophobicContact CE2-CG1 4.12Å; F568-V587 HydrophobicContact CZ-CG1 3.79Å; F584-V587 HydrophobicContact CD2-CG2 3.2Å; F584-V587 HydrophobicContact CE1-CG2 4.47Å; F584-V587 HydrophobicContact CE2-CG2 3.05Å; F584-V587 HydrophobicContact CG-CG2 4.04Å; F584-V587 HydrophobicContact CZ-CG2 3.75Å; V587-V589 HydrophobicContact CG1-CG2 3.77Å
588I96.9Very high93.5Very high3 Ų331.5 Ų31.52%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-98.6126.3162.7-64.2172.3000108.9I64 V68 V436 F556 I557 A558 E559 Y714 L716I64-I588 HydrophobicContact CD1-CG2 4.46Å; I64-I588 HydrophobicContact CG2-CB 4.3Å; I64-I588 HydrophobicContact CG2-CD1 3.88Å; I64-I588 HydrophobicContact CG2-CG2 4.01Å; V68-I588 HydrophobicContact CG2-CD1 3.97Å; V436-I588 HydrophobicContact CB-CG1 4.39Å; F556-I588 HydrophobicContact CE2-CB 4.17Å; F556-I588 HydrophobicContact CE2-CD1 3.63Å; F556-I588 HydrophobicContact CE2-CG1 3.8Å; F556-I588 HydrophobicContact CZ-CD1 4.11Å; I557-I588 PolarHBondContact O-N 3.22Å; A558-I588 VanDerWaalsContact CA-O 3.22Å; A558-I588 WeakPolarHBondContact CA-O 3.39Å; A558-I588 HydrophobicContact CB-CB 3.91Å; E559-I588 PolarHBondContact N-O 3.39Å; I588-Y714 HydrophobicContact CD1-CD1 4.13Å; I588-Y714 HydrophobicContact CG1-CD1 4.41Å; I588-L716 HydrophobicContact CD1-CD1 3.62Å
589V96.4Very high92.7Very high0 Ų034.9 Ų34.90%020%0.195CC..EExtended strand (participates in β ladder)trans-109.1112.1176.7-174.60000109.5W435 V436 V440 E559 I561 F568 V587 A635W435-V589 HydrophobicContact CE3-CG2 3.63Å; W435-V589 HydrophobicContact CZ3-CG2 3.76Å; V436-V589 PolarHBondContact O-N 2.96Å; V440-V589 HydrophobicContact CG1-CG1 4.45Å; V440-V589 HydrophobicContact CG1-CG2 4.14Å; V440-V589 HydrophobicContact CG2-CB 4.45Å; V440-V589 HydrophobicContact CG2-CG1 4.44Å; E559-V589 WeakPolarHBondContact O-CA 3.48Å; I561-V589 VanDerWaalsContact CA-CG1 3.5Å; I561-V589 HydrophobicContact CB-CG1 3.89Å; I561-V589 HydrophobicContact CG1-CG1 4.15Å; F568-V589 HydrophobicContact CE2-CG2 3.88Å; F568-V589 HydrophobicContact CZ-CG2 4.4Å; V587-V589 HydrophobicContact CG1-CG2 3.77Å; V589-A635 HydrophobicContact CG1-CB 4.25Å; V589-A635 PolarHBondContact O-N 2.64Å
590N95.4Very high91.6Very high5 Ų540 Ų403%0.02722%0.217CC..EExtended strand (participates in β ladder)trans-89.9153.2173.867.6-95.2000111.7L60 I64 E559 G560 I561 V632L60-N590 HydrophobicContact CD2-CB 3.97Å; L60-N590 WeakPolarHBondContact CD2-ND2 3.35Å; L60-N590 HydrophobicContact CG-CB 4.32Å; I64-N590 HydrophobicContact CD1-CB 3.74Å; E559-N590 PolarHBondContact O-N 3.05Å; E559-N590 VanDerWaalsContact O-N 3.1Å; E559-N590 PolarHBondContact O-OD1 3.4Å; E559-N590 VanDerWaalsContact O-OD1 3.13Å; G560-N590 CarbonylContact C-O 3.56Å; G560-N590 WeakPolarHBondContact CA-O 3.5Å; G560-N590 PolarHBondContact N-OD1 3.45Å; I561-N590 PolarHBondContact N-O 3.37Å; N590-V632 CarbonylContact C-O 3.54Å; N590-V632 WeakPolarHBondContact CA-O 3.22Å
591G92.6Very high90.8Very high1 Ų139 Ų391%0.0120%0.201CC..  trans-84.2-164.6175.500000111.9V632 E636G591-V632 PolarHBondContact N-O 3.19Å; G591-V632 WeakPolarHBondContact O-CG2 3.47Å; G591-E636 VanDerWaalsContact CA-O 3.26Å; G591-E636 WeakPolarHBondContact CA-O 3.47Å
592L89.1Confident89.3Confident63 Ų6335.6 Ų35.633%0.3319%0.191SC..  trans-99.1133.3-174.7-56.2176000111.3I561 L594 N637 L638I561-L592 HydrophobicContact CG2-CD2 4.26Å; I561-L592 HydrophobicContact CG2-CG 4.11Å; L592-L594 HydrophobicContact CB-CD2 4.19Å; L592-N637 WeakPolarHBondContact CB-OD1 3.42Å; L592-N637 VanDerWaalsContact O-CA 3.32Å; L592-N637 WeakPolarHBondContact O-CA 3.46Å; L592-L638 PolarHBondContact O-N 3.13Å
593V91.2Very high87.6Confident13 Ų1339.7 Ų39.78%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-82.9118.9167.4-168.50000108.5L60 M601 L627 V632 F640L60-V593 HydrophobicContact CD2-CG2 3.85Å; V593-M601 HydrophobicContact CG1-CE 3.79Å; V593-M601 HydrophobicContact CG1-SD 4.36Å; V593-L627 HydrophobicContact CG2-CD2 4.39Å; V593-V632 HydrophobicContact CG2-CG2 4.28Å; V593-F640 HydrophobicContact CG1-CB 3.92Å; V593-F640 HydrophobicContact CG1-CD2 4.31Å
594L89.1Confident85.8Confident18 Ų1851 Ų519%0.09425%0.25CC..EExtended strand (participates in β ladder)trans-106.2156.8-178-56.1179.7000110L592 M601 N637 L638 F640L592-L594 HydrophobicContact CB-CD2 4.19Å; L594-M601 VanDerWaalsContact O-CE 3.25Å; L594-M601 WeakPolarHBondContact O-CE 3.47Å; L594-N637 HydrophobicContact CD1-CB 3.62Å; L594-N637 HydrophobicContact CG-CB 4.15Å; L594-L638 PolarHBondContact N-O 3.03Å; L594-F640 PolarHBondContact O-N 3.44Å
595A88.4Confident84.2Confident1 Ų156.8 Ų56.81%0.00828%0.275CS..  trans-59164.6168.600000111D597 G598 Q599 M601 N607A595-D597 VanDerWaalsContact CB-OD1 3.27Å; A595-D597 WeakPolarHBondContact CB-OD1 3.33Å; A595-D597 PolarHBondContact O-N 2.86Å; A595-D597 VanDerWaalsContact O-N 3.12Å; A595-G598 PolarHBondContact O-N 3.14Å; A595-Q599 PolarHBondContact N-O 3.38Å; A595-M601 HydrophobicContact CB-CG 4.35Å; A595-N607 HydrophobicContact CB-CB 4.21Å; A595-N607 WeakPolarHBondContact CB-ND2 3.35Å; A595-N607 WeakPolarHBondContact CB-O 3.44Å
596S86.5Confident83.1Confident76 Ų7661.4 Ų61.453%0.53130%0.295SS..THydrogen-bonded Turntrans-58.1-27.9-177.555.20000113.2G598S596-G598 VanDerWaalsContact C-N 3.34Å
597D83.8Confident82.1Confident85 Ų8561.5 Ų61.546%0.45530%0.296SS..THydrogen-bonded Turntrans-82.6-3.5176.270.5-10.3000114.3A595 Q599A595-D597 VanDerWaalsContact CB-OD1 3.27Å; A595-D597 WeakPolarHBondContact CB-OD1 3.33Å; A595-D597 PolarHBondContact O-N 2.86Å; A595-D597 VanDerWaalsContact O-N 3.12Å; D597-Q599 WeakPolarHBondContact OD1-CB 3.24Å; D597-Q599 PolarHBondContact OD1-N 2.83Å; D597-Q599 VanDerWaalsContact OD2-CD 3.3Å; D597-Q599 WeakPolarHBondContact OD2-CG 3.43Å; D597-Q599 PolarHBondContact OD2-NE2 2.86Å
598G83.8Confident81.5Confident25 Ų2563.3 Ų63.326%0.25830%0.303SS..SBendtrans843.6-177.500000114.8A595 S596A595-G598 PolarHBondContact O-N 3.14Å; S596-G598 VanDerWaalsContact C-N 3.34Å
599Q78.4Confident81Confident87 Ų8765.4 Ų65.441%0.40732%0.317SS..SBendtrans-77.5155171.9-65-173.547.700111.4A595 D597 M601A595-Q599 PolarHBondContact N-O 3.38Å; D597-Q599 WeakPolarHBondContact OD1-CB 3.24Å; D597-Q599 PolarHBondContact OD1-N 2.83Å; D597-Q599 VanDerWaalsContact OD2-CD 3.3Å; D597-Q599 WeakPolarHBondContact OD2-CG 3.43Å; D597-Q599 PolarHBondContact OD2-NE2 2.86Å; Q599-M601 PolarHBondContact O-N 2.88Å
600K74.8Confident80.6Confident165 Ų16569.6 Ų69.672%0.71734%0.339SS*.BIsolated β-bridgetrans-58.5131.5170.3-171174.9-179176.50109.6S602 N607K600-S602 PolarHBondContact O-N 3.32Å; K600-N607 PolarHBondContact O-ND2 3.38Å; K600-N607 VanDerWaalsContact O-ND2 3.11Å
601M78.3Confident80.4Confident23 Ų2369.9 Ų69.911%0.11334%0.341CS..PPolyproline II helixtrans-62134.2174.7-71.8-170.7173.500110.4Y56 V593 L594 A595 Q599 Y608 F640Y56-M601 HydrophobicContact CD2-CE 3.65Å; Y56-M601 HydrophobicContact CD2-SD 3.71Å; Y56-M601 HydrophobicContact CE2-CE 4.28Å; Y56-M601 HydrophobicContact CG-CE 4.49Å; V593-M601 HydrophobicContact CG1-CE 3.79Å; V593-M601 HydrophobicContact CG1-SD 4.36Å; L594-M601 VanDerWaalsContact O-CE 3.25Å; L594-M601 WeakPolarHBondContact O-CE 3.47Å; A595-M601 HydrophobicContact CB-CG 4.35Å; Q599-M601 PolarHBondContact O-N 2.88Å; M601-Y608 HydrophobicContact CB-CD1 3.63Å; M601-Y608 HydrophobicContact CB-CE1 4Å; M601-Y608 HydrophobicContact CB-CG 4.3Å; M601-Y608 HydrophobicContact CE-CG 4.39Å; M601-Y608 HydrophobicContact CG-CD1 3.88Å; M601-Y608 HydrophobicContact CG-CG 4.1Å; M601-Y608 HydrophobicContact SD-CD1 4.08Å; M601-Y608 HydrophobicContact SD-CD2 4.28Å; M601-Y608 HydrophobicContact SD-CG 3.78Å; M601-F640 HydrophobicContact CE-CB 3.48Å; M601-F640 VanDerWaalsContact CE-CB 3.48Å; M601-F640 HydrophobicContact CE-CG 4.12Å
602S64.8Low80.3Confident43 Ų4371.8 Ų71.830%0.30136%0.361SS..  trans-147.5129.4178.7175.60000111K600 R604 K605 K606 N607K600-S602 PolarHBondContact O-N 3.32Å; S602-R604 PolarHBondContact O-N 3.3Å; S602-R604 PolarHBondContact OG-N 3.4Å; S602-K605 PolarHBondContact O-N 2.92Å; S602-K606 PolarHBondContact O-N 3.14Å; S602-N607 PolarHBondContact N-OD1 3.44Å; S602-N607 PolarHBondContact O-OD1 2.96Å
603K61.4Low80.5Confident102 Ų10272.1 Ų72.144%0.44337%0.366SS..THydrogen-bonded Turntrans-55.4-36.4172.4-69.1177.5-178.31730111.9L53 K605 K606 Y608L53-K603 VanDerWaalsContact O-CE 3.31Å; L53-K603 WeakPolarHBondContact O-CE 3.29Å; L53-K603 PolarHBondContact O-NZ 3.45Å; K603-K605 VanDerWaalsContact C-N 3.33Å; K603-K605 PolarHBondContact O-N 3Å; K603-K606 WeakPolarHBondContact O-CG 3.38Å; K603-K606 PolarHBondContact O-N 2.89Å; K603-Y608 WeakPolarHBondContact CG-OH 3.3Å
604R59.8Low80.7Confident238 Ų23871.6 Ų71.690%0.89836%0.362SS*.THydrogen-bonded Turntrans-64.7-37176.7-175.1179.4176.4-174.5-0.1112S602S602-R604 PolarHBondContact O-N 3.3Å; S602-R604 PolarHBondContact OG-N 3.4Å
605K64.2Low81Confident124 Ų12471 Ų7154%0.53936%0.359SS..THydrogen-bonded Turntrans-83.7-16.4-179.8-68.1-173.9171.6-174.60113.5S602 K603 N607S602-K605 PolarHBondContact O-N 2.92Å; K603-K605 VanDerWaalsContact C-N 3.33Å; K603-K605 PolarHBondContact O-N 3Å; K605-N607 HydrophobicContact CB-CB 4.1Å; K605-N607 PolarHBondContact O-N 2.85Å
606K74.4Confident81.3Confident186 Ų18677.4 Ų77.481%0.80939%0.389SS*.THydrogen-bonded Turntrans48.639.2-174.5-60.4-175.9177.5-176.30112.5S602 K603S602-K606 PolarHBondContact O-N 3.14Å; K603-K606 WeakPolarHBondContact O-CG 3.38Å; K603-K606 PolarHBondContact O-N 2.89Å
607N78.8Confident81.7Confident32 Ų3277.8 Ų77.817%0.17139%0.385CS..  trans-9719.5-170.566.8-28.5000114.1A595 K600 S602 K605A595-N607 HydrophobicContact CB-CB 4.21Å; A595-N607 WeakPolarHBondContact CB-ND2 3.35Å; A595-N607 WeakPolarHBondContact CB-O 3.44Å; K600-N607 PolarHBondContact O-ND2 3.38Å; K600-N607 VanDerWaalsContact O-ND2 3.11Å; S602-N607 PolarHBondContact N-OD1 3.44Å; S602-N607 PolarHBondContact O-OD1 2.96Å; K605-N607 HydrophobicContact CB-CB 4.1Å; K605-N607 PolarHBondContact O-N 2.85Å
608Y83.9Confident82.3Confident39 Ų3975.6 Ų75.615%0.15337%0.371CS..SBendtrans-146.7147.4176.462.7-88.9000110.5H55 Y56 M601 K603H55-Y608 HydrophobicContact CB-CE2 4.32Å; Y56-Y608 HydrophobicContact CD2-CD2 4.18Å; Y56-Y608 AromaticContact CE2-CD2 3.89Å; Y56-Y608 HydrophobicContact CE2-CD2 3.89Å; M601-Y608 HydrophobicContact CB-CD1 3.63Å; M601-Y608 HydrophobicContact CB-CE1 4Å; M601-Y608 HydrophobicContact CB-CG 4.3Å; M601-Y608 HydrophobicContact CE-CG 4.39Å; M601-Y608 HydrophobicContact CG-CD1 3.88Å; M601-Y608 HydrophobicContact CG-CG 4.1Å; M601-Y608 HydrophobicContact SD-CD1 4.08Å; M601-Y608 HydrophobicContact SD-CD2 4.28Å; M601-Y608 HydrophobicContact SD-CG 3.78Å; K603-Y608 WeakPolarHBondContact CG-OH 3.3Å
609P86.2Confident82.9Confident47 Ų4774.4 Ų74.431%0.30536%0.359SS..  trans-68144.2177.426.8-31.8000110.5Y56 I614 F640Y56-P609 HydrophobicContact CE2-CG 4.38Å; Y56-P609 WeakPolarHBondContact CE2-O 3.47Å; Y56-P609 PolarHBondContact OH-O 3.08Å; P609-I614 HydrophobicContact CB-CD1 4.16Å; P609-I614 HydrophobicContact CB-CG1 4.28Å; P609-I614 HydrophobicContact CG-CD1 4.29Å; P609-I614 HydrophobicContact CG-CG1 4.32Å; P609-F640 HydrophobicContact CG-CD1 3.98Å; P609-F640 HydrophobicContact CG-CE1 3.64Å
610D88.4Confident83.9Confident89 Ų8970.2 Ų70.248%0.47634%0.339SS..  trans-60.7126.7178.9-172.3-73.5000110.7G612 V613 I614D610-G612 VanDerWaalsContact C-N 3.26Å; D610-G612 PolarHBondContact O-N 3.2Å; D610-G612 WeakPolarHBondContact OD1-CA 3.12Å; D610-G612 PolarHBondContact OD1-N 2.9Å; D610-V613 HydrophobicContact CB-CB 4.33Å; D610-V613 HydrophobicContact CB-CG2 3.97Å; D610-V613 PolarHBondContact O-N 2.75Å; D610-V613 VanDerWaalsContact O-N 3.16Å; D610-V613 PolarHBondContact OD1-N 3.41Å; D610-I614 PolarHBondContact O-N 3.23Å
611P90.4Very high85Confident10 Ų1062.4 Ų62.47%0.06531%0.305CS..Hα-helixtrans-60.5-32.9-178.9-23.232.4000114.3Y56 I59 V613 I614 V615Y56-P611 HydrophobicContact CD1-CG 4.47Å; Y56-P611 HydrophobicContact CD2-CG 4.48Å; Y56-P611 HydrophobicContact CE1-CB 4.04Å; Y56-P611 HydrophobicContact CE1-CG 4.1Å; Y56-P611 HydrophobicContact CE2-CG 4.14Å; I59-P611 HydrophobicContact CD1-CB 3.44Å; I59-P611 VanDerWaalsContact CD1-CB 3.44Å; I59-P611 HydrophobicContact CD1-CG 3.98Å; P611-V613 VanDerWaalsContact C-N 3.33Å; P611-V613 PolarHBondContact O-N 3.26Å; P611-I614 PolarHBondContact O-N 3.39Å; P611-V615 WeakPolarHBondContact O-CG2 3.41Å; P611-V615 PolarHBondContact O-N 3.33Å
612G91Very high85.9Confident42 Ų4261.3 Ų61.343%0.43330%0.3SS..Hα-helixtrans-63.1-40.4176.600000111.7D610 V615 Q616D610-G612 VanDerWaalsContact C-N 3.26Å; D610-G612 PolarHBondContact O-N 3.2Å; D610-G612 WeakPolarHBondContact OD1-CA 3.12Å; D610-G612 PolarHBondContact OD1-N 2.9Å; G612-V615 PolarHBondContact O-N 3.11Å; G612-Q616 WeakPolarHBondContact O-CB 3.49Å; G612-Q616 PolarHBondContact O-N 3.48Å
613V92.5Very high87.4Confident70 Ų7059.3 Ų59.342%0.42429%0.286SS..Hα-helixtrans-65.6-42.1175.6176.90000111.4D610 P611 V615 Q616 N617D610-V613 HydrophobicContact CB-CB 4.33Å; D610-V613 HydrophobicContact CB-CG2 3.97Å; D610-V613 PolarHBondContact O-N 2.75Å; D610-V613 VanDerWaalsContact O-N 3.16Å; D610-V613 PolarHBondContact OD1-N 3.41Å; P611-V613 VanDerWaalsContact C-N 3.33Å; P611-V613 PolarHBondContact O-N 3.26Å; V613-V615 VanDerWaalsContact C-N 3.34Å; V613-V615 PolarHBondContact O-N 3.17Å; V613-Q616 PolarHBondContact O-N 2.97Å; V613-N617 WeakPolarHBondContact O-CB 3.48Å; V613-N617 VanDerWaalsContact O-CG 3.29Å; V613-N617 PolarHBondContact O-N 3.3Å
614I95.3Very high89.1Confident1 Ų154.4 Ų54.41%0.00526%0.264CS..Hα-helixtrans-60.6-45.1175.8-66.4-53.2000111.2Y56 P609 D610 P611 Q616 N617 Y618 L623 F640 E642 V645Y56-I614 WeakPolarHBondContact OH-CG1 3.24Å; P609-I614 HydrophobicContact CB-CD1 4.16Å; P609-I614 HydrophobicContact CB-CG1 4.28Å; P609-I614 HydrophobicContact CG-CD1 4.29Å; P609-I614 HydrophobicContact CG-CG1 4.32Å; D610-I614 PolarHBondContact O-N 3.23Å; P611-I614 PolarHBondContact O-N 3.39Å; I614-Q616 VanDerWaalsContact C-N 3.35Å; I614-N617 PolarHBondContact O-N 2.91Å; I614-Y618 HydrophobicContact CD1-CD2 4.39Å; I614-Y618 HydrophobicContact CD1-CE2 4.08Å; I614-Y618 HydrophobicContact CG2-CD2 4.08Å; I614-Y618 WeakPolarHBondContact O-CD2 3.43Å; I614-Y618 PolarHBondContact O-N 3.38Å; I614-L623 HydrophobicContact CG2-CD1 4.27Å; I614-L623 HydrophobicContact CG2-CD2 4.3Å; I614-F640 HydrophobicContact CG1-CZ 4.41Å; I614-E642 HydrophobicContact CD1-CB 4.17Å; I614-E642 HydrophobicContact CD1-CG 3.67Å; I614-V645 HydrophobicContact CG2-CG1 4.14Å; I614-V645 HydrophobicContact CG2-CG2 4.32Å
615V95.6Very high90.8Very high5 Ų543.2 Ų43.23%0.0322%0.222CC..Hα-helixtrans-66.8-37.5178.7173.10000111.7R137 M138 P611 G612 V613 N617 G619 A620 L623R137-V615 HydrophobicContact CG-CG1 3.8Å; M138-V615 HydrophobicContact SD-CG2 3.59Å; M138-V615 VanDerWaalsContact SD-CG2 3.59Å; P611-V615 WeakPolarHBondContact O-CG2 3.41Å; P611-V615 PolarHBondContact O-N 3.33Å; G612-V615 PolarHBondContact O-N 3.11Å; V613-V615 VanDerWaalsContact C-N 3.34Å; V613-V615 PolarHBondContact O-N 3.17Å; V615-N617 VanDerWaalsContact C-N 3.32Å; V615-N617 PolarHBondContact O-N 2.9Å; V615-G619 WeakPolarHBondContact O-CA 3.46Å; V615-G619 PolarHBondContact O-N 3.02Å; V615-A620 HydrophobicContact CG1-CB 4.17Å; V615-L623 HydrophobicContact CG2-CD2 3.81Å
616Q95.1Very high92.3Very high136 Ų13638.7 Ų38.764%0.63620%0.202SC*.Hα-helixtrans-64.7-36.3175.5-171.717515.700112.4P12 G612 V613 I614P12-Q616 WeakPolarHBondContact CB-O 3.44Å; P12-Q616 VanDerWaalsContact CG-O 3.24Å; P12-Q616 WeakPolarHBondContact CG-O 3.48Å; G612-Q616 WeakPolarHBondContact O-CB 3.49Å; G612-Q616 PolarHBondContact O-N 3.48Å; V613-Q616 PolarHBondContact O-N 2.97Å; I614-Q616 VanDerWaalsContact C-N 3.35Å
617N95.1Very high93.3Very high85 Ų8529.8 Ų29.846%0.45516%0.163SC..Hα-helixtrans-82.4-38-178.3-70.6-13.8000113.3V613 I614 V615V613-N617 WeakPolarHBondContact O-CB 3.48Å; V613-N617 VanDerWaalsContact O-CG 3.29Å; V613-N617 PolarHBondContact O-N 3.3Å; I614-N617 PolarHBondContact O-N 2.91Å; V615-N617 VanDerWaalsContact C-N 3.32Å; V615-N617 PolarHBondContact O-N 2.9Å
618Y96.3Very high94Very high38 Ų3828.3 Ų28.315%0.14916%0.156CC..Hα-helixtrans-124-14.9-168.7-52.5-72.5000114.8I614 A622 E642 V645 R646 L649I614-Y618 HydrophobicContact CD1-CD2 4.39Å; I614-Y618 HydrophobicContact CD1-CE2 4.08Å; I614-Y618 HydrophobicContact CG2-CD2 4.08Å; I614-Y618 WeakPolarHBondContact O-CD2 3.43Å; I614-Y618 PolarHBondContact O-N 3.38Å; Y618-A622 WeakPolarHBondContact O-CB 3.38Å; Y618-E642 HydrophobicContact CE2-CG 3.55Å; Y618-E642 WeakPolarHBondContact CE2-OE1 3.46Å; Y618-E642 VanDerWaalsContact CZ-OE1 3.29Å; Y618-E642 PolarHBondContact OH-OE1 2.99Å; Y618-V645 HydrophobicContact CD2-CG1 4.22Å; Y618-V645 HydrophobicContact CG-CG1 4.11Å; Y618-R646 HydrophobicContact CD1-CB 4.12Å; Y618-R646 HydrophobicContact CD1-CG 4.45Å; Y618-R646 HydrophobicContact CE1-CB 3.72Å; Y618-R646 HydrophobicContact CE1-CG 3.95Å; Y618-L649 HydrophobicContact CD1-CD1 4.01Å; Y618-L649 HydrophobicContact CG-CD1 4.49Å; Y618-L649 WeakPolarHBondContact O-CD1 3.48Å
619G97Very high94.3Very high0 Ų029.8 Ų29.80%017%0.166CC..  trans92.4156.7-176.700000113.6E15 V615 L623E15-G619 WeakPolarHBondContact OE1-CA 3.49Å; E15-G619 VanDerWaalsContact OE2-CA 3.27Å; E15-G619 WeakPolarHBondContact OE2-CA 3.33Å; V615-G619 WeakPolarHBondContact O-CA 3.46Å; V615-G619 PolarHBondContact O-N 3.02Å; G619-L623 PolarHBondContact O-N 2.9Å
620A97.9Very high94.4Very high0 Ų028.2 Ų28.20%016%0.156CC..Hα-helixtrans-68.9-39.8177.600000111.6E15 R137 M138 V615 A622 L623 R624 F775E15-A620 PolarHBondContact OE1-N 3.35Å; E15-A620 PolarHBondContact OE2-N 2.7Å; R137-A620 WeakPolarHBondContact O-CB 3.09Å; M138-A620 HydrophobicContact CE-CB 3.98Å; M138-A620 HydrophobicContact SD-CB 4.23Å; V615-A620 HydrophobicContact CG1-CB 4.17Å; A620-A622 VanDerWaalsContact C-N 3.3Å; A620-A622 PolarHBondContact O-N 2.73Å; A620-L623 PolarHBondContact O-N 2.8Å; A620-R624 WeakPolarHBondContact O-CB 3.4Å; A620-R624 WeakPolarHBondContact O-CG 3.46Å; A620-R624 PolarHBondContact O-N 2.87Å; A620-F775 HydrophobicContact CB-CD2 4.19Å; A620-F775 HydrophobicContact CB-CE2 3.8Å
621D98.1Very high94.3Very high1 Ų126.5 Ų26.51%0.00515%0.15CC..Hα-helixtrans-63.4-37.6-178.9-81.6-6.8000111.9E15 R624 L625 F653 T773 P774 F775 I776E15-D621 PolarHBondContact OE1-N 3.06Å; D621-R624 PolarHBondContact O-N 3.49Å; D621-L625 WeakPolarHBondContact O-CB 3.34Å; D621-L625 PolarHBondContact O-N 3.46Å; D621-F653 HydrophobicContact CB-CE2 3.6Å; D621-F653 HydrophobicContact CB-CZ 3.8Å; D621-T773 HydrophobicContact CB-CG2 4.15Å; D621-T773 VanDerWaalsContact CG-CA 3.44Å; D621-T773 VanDerWaalsContact OD1-CA 3.31Å; D621-T773 WeakPolarHBondContact OD1-CA 3.47Å; D621-T773 WeakPolarHBondContact OD2-CB 3.43Å; D621-P774 WeakPolarHBondContact OD1-CD 3.23Å; D621-F775 WeakPolarHBondContact OD1-CD2 3.4Å; D621-F775 PolarHBondContact OD1-N 2.92Å; D621-F775 WeakPolarHBondContact OD2-CA 3.42Å; D621-F775 WeakPolarHBondContact OD2-CB 3.36Å; D621-F775 PolarHBondContact OD2-N 3.46Å; D621-I776 WeakPolarHBondContact OD2-CG2 3.17Å; D621-I776 PolarHBondContact OD2-N 3.48Å
622A97.1Very high94.2Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-65.5-45.3176.900000111.3Y618 A620 L625 Y626 V645 V648 L649 F653Y618-A622 WeakPolarHBondContact O-CB 3.38Å; A620-A622 VanDerWaalsContact C-N 3.3Å; A620-A622 PolarHBondContact O-N 2.73Å; A622-L625 PolarHBondContact O-N 3.09Å; A622-Y626 VanDerWaalsContact O-CB 3.31Å; A622-Y626 WeakPolarHBondContact O-CB 3.47Å; A622-Y626 PolarHBondContact O-N 2.96Å; A622-V645 HydrophobicContact CB-CG1 3.89Å; A622-V648 HydrophobicContact CB-CG1 4.41Å; A622-L649 HydrophobicContact CB-CD2 3.68Å; A622-L649 HydrophobicContact CB-CG 3.89Å; A622-F653 HydrophobicContact CB-CE2 4.15Å
623L97.3Very high94.1Very high0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-65-43.3177.2178.758.1000111.7Y56 I59 M138 I614 V615 G619 A620 Y626 L627 F640 V645Y56-L623 HydrophobicContact CD1-CD1 4.07Å; Y56-L623 HydrophobicContact CD1-CD2 4.42Å; Y56-L623 HydrophobicContact CE1-CD1 3.92Å; Y56-L623 HydrophobicContact CE1-CD2 4.11Å; I59-L623 HydrophobicContact CD1-CD2 4.22Å; I59-L623 HydrophobicContact CG2-CD2 4.29Å; M138-L623 HydrophobicContact CE-CB 4.42Å; M138-L623 HydrophobicContact CE-CD2 4.09Å; M138-L623 HydrophobicContact CE-CG 4.33Å; M138-L623 HydrophobicContact SD-CD2 4.11Å; I614-L623 HydrophobicContact CG2-CD1 4.27Å; I614-L623 HydrophobicContact CG2-CD2 4.3Å; V615-L623 HydrophobicContact CG2-CD2 3.81Å; G619-L623 PolarHBondContact O-N 2.9Å; A620-L623 PolarHBondContact O-N 2.8Å; L623-Y626 PolarHBondContact O-N 3.36Å; L623-L627 HydrophobicContact CD1-CD1 4.01Å; L623-L627 HydrophobicContact CD1-CG 4.08Å; L623-L627 HydrophobicContact CG-CD1 4.11Å; L623-L627 VanDerWaalsContact O-CG 3.28Å; L623-L627 WeakPolarHBondContact O-CG 3.27Å; L623-L627 PolarHBondContact O-N 3.19Å; L623-F640 HydrophobicContact CD1-CE2 3.76Å; L623-F640 HydrophobicContact CD1-CZ 4.12Å; L623-V645 HydrophobicContact CB-CG1 4.47Å; L623-V645 HydrophobicContact CD1-CG2 4.18Å
624R97.3Very high94Very high0 Ų026.4 Ų26.40%013%0.128CC..Hα-helixtrans-56-53.6175.7-73.8171.470.8110.10.5110.3T63 D66 M138 A620 D621 L627 I628 P771 F772T63-R624 HydrophobicContact CG2-CB 3.86Å; T63-R624 HydrophobicContact CG2-CG 3.89Å; D66-R624 IonicContact OD2-CZ 2.77Å; D66-R624 VanDerWaalsContact OD2-CZ 3.29Å; D66-R624 IonicContact OD2-NH1 3.32Å; D66-R624 PolarHBondContact OD2-NH1 3.36Å; D66-R624 IonicContact OD2-NH2 3.68Å; D66-R624 PolarHBondContact OD2-NH2 2.76Å; M138-R624 HydrophobicContact CE-CG 3.71Å; M138-R624 WeakPolarHBondContact O-CD 3.28Å; M138-R624 PolarHBondContact O-NH1 2.98Å; A620-R624 WeakPolarHBondContact O-CB 3.4Å; A620-R624 WeakPolarHBondContact O-CG 3.46Å; A620-R624 PolarHBondContact O-N 2.87Å; D621-R624 PolarHBondContact O-N 3.49Å; R624-L627 PolarHBondContact O-N 3.32Å; R624-I628 VanDerWaalsContact O-CG1 3.27Å; R624-I628 WeakPolarHBondContact O-CG1 3.39Å; R624-I628 PolarHBondContact O-N 2.89Å; R624-I628 VanDerWaalsContact O-N 3.17Å; R624-P771 PolarHBondContact NH2-O 3.05Å; R624-F772 PolarHBondContact NE-O 3.42Å
625L95.5Very high93.8Very high3 Ų326.8 Ų26.82%0.01613%0.131CC..Hα-helixtrans-66.6-38.5-176.2-166.363000112.1D621 A622 L627 I628 N629 V648 V652 F653 V720 V724 M769 T773D621-L625 WeakPolarHBondContact O-CB 3.34Å; D621-L625 PolarHBondContact O-N 3.46Å; A622-L625 PolarHBondContact O-N 3.09Å; L625-L627 PolarHBondContact O-N 3.3Å; L625-I628 HydrophobicContact CD1-CD1 4.03Å; L625-I628 HydrophobicContact CD1-CG1 4.26Å; L625-I628 WeakPolarHBondContact O-CG1 3.37Å; L625-N629 WeakPolarHBondContact O-CB 3.17Å; L625-N629 PolarHBondContact O-N 2.89Å; L625-V648 HydrophobicContact CB-CG1 4.08Å; L625-V648 HydrophobicContact CD2-CG1 3.85Å; L625-V648 HydrophobicContact CG-CG1 4.28Å; L625-V652 HydrophobicContact CD2-CG1 4.32Å; L625-F653 HydrophobicContact CB-CZ 4.43Å; L625-F653 HydrophobicContact CD2-CE1 3.56Å; L625-F653 HydrophobicContact CD2-CZ 4.03Å; L625-V720 HydrophobicContact CD1-CG1 3.48Å; L625-V720 VanDerWaalsContact CD1-CG1 3.48Å; L625-V720 HydrophobicContact CG-CG1 4.35Å; L625-V724 HydrophobicContact CD2-CG2 4.49Å; L625-M769 HydrophobicContact CD2-CE 4.4Å; L625-T773 HydrophobicContact CB-CG2 4.32Å; L625-T773 HydrophobicContact CD2-CG2 4.3Å
626Y95.3Very high93.6Very high28 Ų2831 Ų3111%0.1115%0.15CC..Hα-helixtrans-58.6-46.5173.4169.8-105.4000112.4A622 L623 L638 F640 K641 G644 V645A622-Y626 VanDerWaalsContact O-CB 3.31Å; A622-Y626 WeakPolarHBondContact O-CB 3.47Å; A622-Y626 PolarHBondContact O-N 2.96Å; L623-Y626 PolarHBondContact O-N 3.36Å; Y626-L638 HydrophobicContact CE1-CD2 4.07Å; Y626-F640 HydrophobicContact CD1-CD2 4.4Å; Y626-F640 HydrophobicContact CD1-CE2 4.01Å; Y626-F640 AromaticContact CE1-CD2 3.64Å; Y626-F640 HydrophobicContact CE1-CD2 3.64Å; Y626-F640 AromaticContact CE1-CE2 3.64Å; Y626-F640 HydrophobicContact CE1-CE2 3.64Å; Y626-F640 HydrophobicContact CE1-CG 4.47Å; Y626-F640 HydrophobicContact CE1-CZ 4.49Å; Y626-K641 PolarHBondContact OH-N 3.2Å; Y626-K641 VanDerWaalsContact OH-N 3.09Å; Y626-G644 VanDerWaalsContact CD2-C 3.48Å; Y626-V645 HydrophobicContact CD1-CG2 3.71Å; Y626-V645 HydrophobicContact CE1-CG2 4.24Å; Y626-V645 HydrophobicContact CG-CG2 3.87Å
627L94.9Very high93.4Very high0 Ų028.8 Ų28.80%014%0.143CC..Hα-helixtrans-65.8-43.9-177.3-72.5173.2000112I59 L60 V593 L623 R624 L625 S630 V632 L638 F640I59-L627 HydrophobicContact CB-CD1 4.31Å; I59-L627 HydrophobicContact CG2-CD1 3.76Å; L60-L627 HydrophobicContact CB-CD1 4.3Å; L60-L627 HydrophobicContact CD1-CB 4.06Å; V593-L627 HydrophobicContact CG2-CD2 4.39Å; L623-L627 HydrophobicContact CD1-CD1 4.01Å; L623-L627 HydrophobicContact CD1-CG 4.08Å; L623-L627 HydrophobicContact CG-CD1 4.11Å; L623-L627 VanDerWaalsContact O-CG 3.28Å; L623-L627 WeakPolarHBondContact O-CG 3.27Å; L623-L627 PolarHBondContact O-N 3.19Å; R624-L627 PolarHBondContact O-N 3.32Å; L625-L627 PolarHBondContact O-N 3.3Å; L627-S630 WeakPolarHBondContact O-CB 3.34Å; L627-S630 PolarHBondContact O-OG 3.42Å; L627-V632 WeakPolarHBondContact O-CG1 3.42Å; L627-L638 HydrophobicContact CD2-CD2 3.96Å; L627-F640 HydrophobicContact CD2-CD2 4.44Å
628I93.1Very high93.3Very high1 Ų125.5 Ų25.51%0.00513%0.125CC..Hα-helixtrans-81-22.8-177.865.4-171.1000113.6T63 I67 R624 L625 S630 V633 V720 F772T63-I628 HydrophobicContact CG2-CG2 3.74Å; I67-I628 HydrophobicContact CD1-CD1 3.54Å; I67-I628 HydrophobicContact CD1-CG2 3.9Å; R624-I628 VanDerWaalsContact O-CG1 3.27Å; R624-I628 WeakPolarHBondContact O-CG1 3.39Å; R624-I628 PolarHBondContact O-N 2.89Å; R624-I628 VanDerWaalsContact O-N 3.17Å; L625-I628 HydrophobicContact CD1-CD1 4.03Å; L625-I628 HydrophobicContact CD1-CG1 4.26Å; L625-I628 WeakPolarHBondContact O-CG1 3.37Å; I628-S630 PolarHBondContact O-N 2.94Å; I628-S630 VanDerWaalsContact O-N 3.11Å; I628-V633 HydrophobicContact CB-CG1 4.33Å; I628-V633 HydrophobicContact CG2-CG1 4.42Å; I628-V633 WeakPolarHBondContact O-CG2 3.23Å; I628-V720 HydrophobicContact CD1-CG2 4.01Å; I628-V720 HydrophobicContact CG1-CG2 3.93Å; I628-F772 HydrophobicContact CD1-CB 4.47Å; I628-F772 HydrophobicContact CD1-CD1 3.53Å; I628-F772 HydrophobicContact CD1-CE1 4.26Å; I628-F772 HydrophobicContact CD1-CG 4.48Å
629N90.3Very high93.1Very high69 Ų6931 Ų3137%0.36915%0.146SC..SBendtrans-82.433.7173.2-163.527.1000112.3L625 V720L625-N629 WeakPolarHBondContact O-CB 3.17Å; L625-N629 PolarHBondContact O-N 2.89Å; N629-V720 HydrophobicContact CB-CB 4.48Å; N629-V720 HydrophobicContact CB-CG1 3.58Å
630S88.6Confident93Very high14 Ų1431.1 Ų31.110%0.09815%0.146CC..SBendtrans-136.8162.5-170.889.50000110.9L627 I628 V632 V633L627-S630 WeakPolarHBondContact O-CB 3.34Å; L627-S630 PolarHBondContact O-OG 3.42Å; I628-S630 PolarHBondContact O-N 2.94Å; I628-S630 VanDerWaalsContact O-N 3.11Å; S630-V632 PolarHBondContact O-N 2.92Å; S630-V632 WeakPolarHBondContact OG-CB 3.44Å; S630-V632 WeakPolarHBondContact OG-CG1 3.46Å; S630-V632 PolarHBondContact OG-N 3.31Å; S630-V633 WeakPolarHBondContact O-CG2 3.21Å; S630-V633 PolarHBondContact O-N 3.17Å
631P86.3Confident92.7Very high54 Ų5436.7 Ų36.735%0.35117%0.171SC..G310 helixtrans-64.5-9.5-179.329.2-36.5000112.8V633 R634 E636P631-V633 PolarHBondContact O-N 3.01Å; P631-R634 WeakPolarHBondContact O-CA 3.16Å; P631-R634 WeakPolarHBondContact O-CB 3.39Å; P631-R634 PolarHBondContact O-N 3.39Å; P631-E636 HydrophobicContact CB-CB 4.01Å; P631-E636 PolarHBondContact O-N 3.1Å
632V89.8Confident92.5Very high0 Ų040 Ų400%019%0.186CC..G310 helixtrans-61.4-28.6179.285.30000113.6L60 N590 G591 V593 L627 S630 R634 A635 E636 L638L60-V632 HydrophobicContact CD1-CG1 3.57Å; L60-V632 HydrophobicContact CD2-CB 4.04Å; L60-V632 HydrophobicContact CD2-CG1 3.45Å; L60-V632 VanDerWaalsContact CD2-CG1 3.45Å; L60-V632 HydrophobicContact CD2-CG2 3.37Å; L60-V632 HydrophobicContact CG-CG1 4.16Å; N590-V632 CarbonylContact C-O 3.54Å; N590-V632 WeakPolarHBondContact CA-O 3.22Å; G591-V632 PolarHBondContact N-O 3.19Å; G591-V632 WeakPolarHBondContact O-CG2 3.47Å; V593-V632 HydrophobicContact CG2-CG2 4.28Å; L627-V632 WeakPolarHBondContact O-CG1 3.42Å; S630-V632 PolarHBondContact O-N 2.92Å; S630-V632 WeakPolarHBondContact OG-CB 3.44Å; S630-V632 WeakPolarHBondContact OG-CG1 3.46Å; S630-V632 PolarHBondContact OG-N 3.31Å; V632-R634 PolarHBondContact O-N 3.21Å; V632-A635 PolarHBondContact O-N 2.71Å; V632-E636 WeakPolarHBondContact CA-O 3.32Å; V632-L638 HydrophobicContact CB-CB 3.93Å; V632-L638 HydrophobicContact CG2-CB 4.19Å
633V88.9Confident92.3Very high4 Ų445.5 Ų45.52%0.02421%0.212CC..G310 helixtrans-762.4174.4-70.50000113L60 I64 I628 S630 P631L60-V633 HydrophobicContact CD1-CG1 4.4Å; I64-V633 HydrophobicContact CD1-CG1 4.05Å; I64-V633 HydrophobicContact CG1-CG1 4.32Å; I628-V633 HydrophobicContact CB-CG1 4.33Å; I628-V633 HydrophobicContact CG2-CG1 4.42Å; I628-V633 WeakPolarHBondContact O-CG2 3.23Å; S630-V633 WeakPolarHBondContact O-CG2 3.21Å; S630-V633 PolarHBondContact O-N 3.17Å; P631-V633 PolarHBondContact O-N 3.01Å
634R89.1Confident92.1Very high116 Ų11646.4 Ų46.444%0.43822%0.221SC..G310 helixtrans-117.129.6174.2-60.2177.463.1-170.8-2.9112.2P631 V632 E636 Y717P631-R634 WeakPolarHBondContact O-CA 3.16Å; P631-R634 WeakPolarHBondContact O-CB 3.39Å; P631-R634 PolarHBondContact O-N 3.39Å; V632-R634 PolarHBondContact O-N 3.21Å; R634-E636 PolarHBondContact O-N 3.46Å; R634-E636 VanDerWaalsContact O-N 3.15Å; R634-Y717 HydrophobicContact CG-CD1 3.78Å; R634-Y717 HydrophobicContact CG-CD2 3.95Å; R634-Y717 HydrophobicContact CG-CE1 4.41Å; R634-Y717 HydrophobicContact CG-CG 3.53Å
635A90.9Very high92.1Very high8 Ų846.4 Ų46.47%0.06622%0.221CC..THydrogen-bonded Turntrans61.216.6-178.600000115.3P437 F439 V440 I561 V589 V632P437-A635 HydrophobicContact CG-CB 3.78Å; F439-A635 HydrophobicContact CZ-CB 3.96Å; V440-A635 HydrophobicContact CG2-CB 4.14Å; I561-A635 HydrophobicContact CD1-CB 4.19Å; V589-A635 HydrophobicContact CG1-CB 4.25Å; V589-A635 PolarHBondContact O-N 2.64Å; V632-A635 PolarHBondContact O-N 2.71Å
636E91.4Very high92Very high94 Ų9452 Ų5244%0.43924%0.241SC..  trans-97.8166.4175.8-66.2179-154.300112.2G591 P631 V632 R634G591-E636 VanDerWaalsContact CA-O 3.26Å; G591-E636 WeakPolarHBondContact CA-O 3.47Å; P631-E636 HydrophobicContact CB-CB 4.01Å; P631-E636 PolarHBondContact O-N 3.1Å; V632-E636 WeakPolarHBondContact CA-O 3.32Å; R634-E636 PolarHBondContact O-N 3.46Å; R634-E636 VanDerWaalsContact O-N 3.15Å
637N91.3Very high92Very high89 Ų8953.4 Ų53.448%0.47625%0.251SS..  trans-83.3140.5-179.3-65.6-27.2000111.9L592 L594L592-N637 WeakPolarHBondContact CB-OD1 3.42Å; L592-N637 VanDerWaalsContact O-CA 3.32Å; L592-N637 WeakPolarHBondContact O-CA 3.46Å; L594-N637 HydrophobicContact CD1-CB 3.62Å; L594-N637 HydrophobicContact CG-CB 4.15Å
638L92.8Very high92Very high16 Ų1654 Ų548%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-110.3125.1170.3171.865.8000109.8L592 L594 Y626 L627 V632 F640L592-L638 PolarHBondContact O-N 3.13Å; L594-L638 PolarHBondContact N-O 3.03Å; Y626-L638 HydrophobicContact CE1-CD2 4.07Å; L627-L638 HydrophobicContact CD2-CD2 3.96Å; V632-L638 HydrophobicContact CB-CB 3.93Å; V632-L638 HydrophobicContact CG2-CB 4.19Å; L638-F640 PolarHBondContact O-N 3.4Å
639R93.2Very high92Very high153 Ų15355 Ų5558%0.57726%0.26SS*.EExtended strand (participates in β ladder)trans-84.8109.1167-63.4-176.2-172.3177.81.4108.8K641R639-K641 PolarHBondContact O-N 3.25Å
640F93.9Very high92.1Very high4 Ų457.8 Ų57.82%0.01827%0.269CS..  trans-66.3129.6-176.1-172.8-87.8000111.2Y56 V593 L594 M601 P609 I614 L623 Y626 L627 L638 V645Y56-F640 AromaticContact CD1-CD2 3.93Å; Y56-F640 HydrophobicContact CD1-CD2 3.93Å; Y56-F640 AromaticContact CD1-CE2 3.52Å; Y56-F640 HydrophobicContact CD1-CE2 3.52Å; Y56-F640 HydrophobicContact CD1-CZ 4.02Å; Y56-F640 HydrophobicContact CD2-CD2 4.24Å; Y56-F640 HydrophobicContact CD2-CE2 4.44Å; Y56-F640 HydrophobicContact CD2-CG 4.33Å; Y56-F640 HydrophobicContact CE1-CD2 4.13Å; Y56-F640 HydrophobicContact CE1-CE1 4.1Å; Y56-F640 AromaticContact CE1-CE2 3.4Å; Y56-F640 HydrophobicContact CE1-CE2 3.4Å; Y56-F640 VanDerWaalsContact CE1-CE2 3.4Å; Y56-F640 AromaticContact CE1-CZ 3.38Å; Y56-F640 HydrophobicContact CE1-CZ 3.38Å; Y56-F640 HydrophobicContact CE2-CD1 4.15Å; Y56-F640 HydrophobicContact CE2-CD2 4.4Å; Y56-F640 HydrophobicContact CE2-CE1 4.07Å; Y56-F640 HydrophobicContact CE2-CE2 4.33Å; Y56-F640 HydrophobicContact CE2-CG 4.32Å; Y56-F640 HydrophobicContact CE2-CZ 4.16Å; Y56-F640 AromaticContact CG-CD2 3.99Å; Y56-F640 HydrophobicContact CG-CD2 3.99Å; Y56-F640 HydrophobicContact CG-CE2 4.06Å; Y56-F640 AromaticContact CZ-CE1 3.7Å; Y56-F640 AromaticContact CZ-CE2 3.85Å; Y56-F640 AromaticContact CZ-CZ 3.48Å; Y56-F640 VanDerWaalsContact CZ-CZ 3.48Å; V593-F640 HydrophobicContact CG1-CB 3.92Å; V593-F640 HydrophobicContact CG1-CD2 4.31Å; L594-F640 PolarHBondContact O-N 3.44Å; M601-F640 HydrophobicContact CE-CB 3.48Å; M601-F640 VanDerWaalsContact CE-CB 3.48Å; M601-F640 HydrophobicContact CE-CG 4.12Å; P609-F640 HydrophobicContact CG-CD1 3.98Å; P609-F640 HydrophobicContact CG-CE1 3.64Å; I614-F640 HydrophobicContact CG1-CZ 4.41Å; L623-F640 HydrophobicContact CD1-CE2 3.76Å; L623-F640 HydrophobicContact CD1-CZ 4.12Å; Y626-F640 HydrophobicContact CD1-CD2 4.4Å; Y626-F640 HydrophobicContact CD1-CE2 4.01Å; Y626-F640 AromaticContact CE1-CD2 3.64Å; Y626-F640 HydrophobicContact CE1-CD2 3.64Å; Y626-F640 AromaticContact CE1-CE2 3.64Å; Y626-F640 HydrophobicContact CE1-CE2 3.64Å; Y626-F640 HydrophobicContact CE1-CG 4.47Å; Y626-F640 HydrophobicContact CE1-CZ 4.49Å; L627-F640 HydrophobicContact CD2-CD2 4.44Å; L638-F640 PolarHBondContact O-N 3.4Å; F640-V645 HydrophobicContact CE2-CG2 4.31Å; F640-V645 HydrophobicContact CZ-CG2 3.96Å
641K92.3Very high92.3Very high117 Ų11761.5 Ų61.551%0.50929%0.288SS..  trans-134.8125.2173.5-67-175.4178-174.40109.7Y626 R639 E643 G644Y626-K641 PolarHBondContact OH-N 3.2Å; Y626-K641 VanDerWaalsContact OH-N 3.09Å; R639-K641 PolarHBondContact O-N 3.25Å; K641-E643 VanDerWaalsContact C-N 3.25Å; K641-E643 PolarHBondContact O-N 3.49Å; K641-G644 PolarHBondContact O-N 3.24Å; K641-G644 VanDerWaalsContact O-N 3.1Å
642E93.6Very high92.7Very high70 Ų7059.3 Ų59.333%0.32727%0.273SS..Hα-helixtrans-57.8-37.1177.8176.6172.3171.200112.6I614 Y618 G644 V645 R646I614-E642 HydrophobicContact CD1-CB 4.17Å; I614-E642 HydrophobicContact CD1-CG 3.67Å; Y618-E642 HydrophobicContact CE2-CG 3.55Å; Y618-E642 WeakPolarHBondContact CE2-OE1 3.46Å; Y618-E642 VanDerWaalsContact CZ-OE1 3.29Å; Y618-E642 PolarHBondContact OH-OE1 2.99Å; E642-G644 PolarHBondContact O-N 3.38Å; E642-V645 WeakPolarHBondContact O-CB 3.36Å; E642-V645 PolarHBondContact O-N 3.37Å; E642-R646 PolarHBondContact O-N 2.93Å
643E93.4Very high93Very high116 Ų11659.4 Ų59.454%0.54227%0.274SS..Hα-helixtrans-53.4-39.1176-64.3176.3161.700112.3K641 V645 R646 D647K641-E643 VanDerWaalsContact C-N 3.25Å; K641-E643 PolarHBondContact O-N 3.49Å; E643-V645 VanDerWaalsContact C-N 3.29Å; E643-V645 PolarHBondContact O-N 3.14Å; E643-R646 WeakPolarHBondContact O-CB 3.34Å; E643-R646 PolarHBondContact O-N 3.48Å; E643-D647 PolarHBondContact O-N 3.42Å
644G93.4Very high93.3Very high18 Ų1862.3 Ų62.319%0.18629%0.289CS..Hα-helixtrans-66.6-29178.600000113.5Y626 K641 E642 V648Y626-G644 VanDerWaalsContact CD2-C 3.48Å; K641-G644 PolarHBondContact O-N 3.24Å; K641-G644 VanDerWaalsContact O-N 3.1Å; E642-G644 PolarHBondContact O-N 3.38Å; G644-V648 WeakPolarHBondContact O-CG2 3.43Å; G644-V648 PolarHBondContact O-N 2.86Å
645V95.5Very high93.7Very high0 Ų058.4 Ų58.40%028%0.279CS..Hα-helixtrans-71.6-41.9173.9-174.80000110.2I614 Y618 A622 L623 Y626 F640 E642 E643 D647 V648I614-V645 HydrophobicContact CG2-CG1 4.14Å; I614-V645 HydrophobicContact CG2-CG2 4.32Å; Y618-V645 HydrophobicContact CD2-CG1 4.22Å; Y618-V645 HydrophobicContact CG-CG1 4.11Å; A622-V645 HydrophobicContact CB-CG1 3.89Å; L623-V645 HydrophobicContact CB-CG1 4.47Å; L623-V645 HydrophobicContact CD1-CG2 4.18Å; Y626-V645 HydrophobicContact CD1-CG2 3.71Å; Y626-V645 HydrophobicContact CE1-CG2 4.24Å; Y626-V645 HydrophobicContact CG-CG2 3.87Å; F640-V645 HydrophobicContact CE2-CG2 4.31Å; F640-V645 HydrophobicContact CZ-CG2 3.96Å; E642-V645 WeakPolarHBondContact O-CB 3.36Å; E642-V645 PolarHBondContact O-N 3.37Å; E643-V645 VanDerWaalsContact C-N 3.29Å; E643-V645 PolarHBondContact O-N 3.14Å; V645-D647 VanDerWaalsContact C-N 3.33Å; V645-D647 PolarHBondContact O-N 2.88Å; V645-V648 PolarHBondContact O-N 3.41Å
646R95.1Very high94Very high120 Ų12058 Ų5845%0.45328%0.275SS..Hα-helixtrans-62.8-40.5175.5-176-171.766-164.4-5.5111.9Y618 E642 E643 V648 L649 K650Y618-R646 HydrophobicContact CD1-CB 4.12Å; Y618-R646 HydrophobicContact CD1-CG 4.45Å; Y618-R646 HydrophobicContact CE1-CB 3.72Å; Y618-R646 HydrophobicContact CE1-CG 3.95Å; E642-R646 PolarHBondContact O-N 2.93Å; E643-R646 WeakPolarHBondContact O-CB 3.34Å; E643-R646 PolarHBondContact O-N 3.48Å; R646-V648 VanDerWaalsContact C-N 3.29Å; R646-V648 PolarHBondContact O-N 3.21Å; R646-L649 WeakPolarHBondContact O-CB 3.35Å; R646-L649 PolarHBondContact O-N 3.45Å; R646-L649 VanDerWaalsContact O-N 3.16Å; R646-K650 PolarHBondContact O-N 2.9Å; R646-K650 VanDerWaalsContact O-N 3.14Å
647D94.1Very high94.3Very high58 Ų5853.7 Ų53.731%0.3126%0.255SS..Hα-helixtrans-65.7-33.2-178.8-65.4-15.4000111.4E643 V645 L649 K650 D651E643-D647 PolarHBondContact O-N 3.42Å; V645-D647 VanDerWaalsContact C-N 3.33Å; V645-D647 PolarHBondContact O-N 2.88Å; D647-L649 VanDerWaalsContact C-N 3.34Å; D647-L649 PolarHBondContact O-N 3.41Å; D647-K650 PolarHBondContact O-N 3.4Å; D647-D651 WeakPolarHBondContact O-CB 3.33Å; D647-D651 PolarHBondContact O-N 3.34Å
648V94.7Very high94.5Very high14 Ų1452.9 Ų52.99%0.08525%0.25CS..Hα-helixtrans-58.6-43.2171.3169.80000112.2A622 L625 G644 V645 R646 V652 F653A622-V648 HydrophobicContact CB-CG1 4.41Å; L625-V648 HydrophobicContact CB-CG1 4.08Å; L625-V648 HydrophobicContact CD2-CG1 3.85Å; L625-V648 HydrophobicContact CG-CG1 4.28Å; G644-V648 WeakPolarHBondContact O-CG2 3.43Å; G644-V648 PolarHBondContact O-N 2.86Å; V645-V648 PolarHBondContact O-N 3.41Å; R646-V648 VanDerWaalsContact C-N 3.29Å; R646-V648 PolarHBondContact O-N 3.21Å; V648-V652 WeakPolarHBondContact O-CA 3.41Å; V648-V652 VanDerWaalsContact O-CB 3.26Å; V648-V652 WeakPolarHBondContact O-CB 3.5Å; V648-V652 PolarHBondContact O-N 2.81Å; V648-F653 HydrophobicContact CG1-CE1 4.22Å; V648-F653 HydrophobicContact CG1-CE2 4.49Å; V648-F653 HydrophobicContact CG1-CZ 4.13Å; V648-F653 PolarHBondContact O-N 3.11Å
649L93.7Very high94.6Very high22 Ų2252.3 Ų52.312%0.11525%0.248CC..Iπ-helixtrans-62.7-46.9176.1-69.6-177.7000111.6F11 Y618 A622 R646 D647 F653 L654F11-L649 HydrophobicContact CB-CD2 4.46Å; F11-L649 HydrophobicContact CD2-CD1 4.45Å; F11-L649 HydrophobicContact CD2-CD2 3.65Å; F11-L649 HydrophobicContact CE2-CD2 4.03Å; F11-L649 HydrophobicContact CG-CD2 4.08Å; Y618-L649 HydrophobicContact CD1-CD1 4.01Å; Y618-L649 HydrophobicContact CG-CD1 4.49Å; Y618-L649 WeakPolarHBondContact O-CD1 3.48Å; A622-L649 HydrophobicContact CB-CD2 3.68Å; A622-L649 HydrophobicContact CB-CG 3.89Å; R646-L649 WeakPolarHBondContact O-CB 3.35Å; R646-L649 PolarHBondContact O-N 3.45Å; R646-L649 VanDerWaalsContact O-N 3.16Å; D647-L649 VanDerWaalsContact C-N 3.34Å; D647-L649 PolarHBondContact O-N 3.41Å; L649-F653 HydrophobicContact CD2-CB 4.35Å; L649-F653 HydrophobicContact CD2-CD2 3.44Å; L649-F653 VanDerWaalsContact CD2-CD2 3.44Å; L649-F653 HydrophobicContact CD2-CE2 4.08Å; L649-F653 HydrophobicContact CD2-CG 4.27Å; L649-F653 PolarHBondContact O-N 3.2Å; L649-L654 WeakPolarHBondContact O-CB 3.43Å; L649-L654 WeakPolarHBondContact O-CG 3.38Å; L649-L654 PolarHBondContact O-N 3.14Å
650K93.3Very high94.8Very high127 Ų12745.2 Ų45.255%0.55222%0.222SC*.Iπ-helixtrans-67.9-46-174.4-176.2-166.5160.6-144.40112.5R646 D647 P655R646-K650 PolarHBondContact O-N 2.9Å; R646-K650 VanDerWaalsContact O-N 3.14Å; D647-K650 PolarHBondContact O-N 3.4Å; K650-P655 VanDerWaalsContact O-CD 3.24Å; K650-P655 WeakPolarHBondContact O-CD 3.46Å
651D91.9Very high94.9Very high92 Ų9247.2 Ų47.249%0.49223%0.229SC..Iπ-helixtrans-97.9-15-167.5-57.3-27.1000112.1D647D647-D651 WeakPolarHBondContact O-CB 3.33Å; D647-D651 PolarHBondContact O-N 3.34Å
652V94.7Very high95.1Very high8 Ų842.7 Ų42.75%0.04821%0.209CC..Iπ-helixtrans-120-61.4179.9-166.80000112.3L625 V648 P655 W656 V724 V727L625-V652 HydrophobicContact CD2-CG1 4.32Å; V648-V652 WeakPolarHBondContact O-CA 3.41Å; V648-V652 VanDerWaalsContact O-CB 3.26Å; V648-V652 WeakPolarHBondContact O-CB 3.5Å; V648-V652 PolarHBondContact O-N 2.81Å; V652-P655 WeakPolarHBondContact O-CD 3.39Å; V652-W656 WeakPolarHBondContact O-CB 3.41Å; V652-W656 PolarHBondContact O-N 2.71Å; V652-W656 VanDerWaalsContact O-N 3.13Å; V652-V724 HydrophobicContact CG1-CG2 4.27Å; V652-V724 HydrophobicContact CG2-CG1 3.72Å; V652-V724 HydrophobicContact CG2-CG2 4.16Å; V652-V727 HydrophobicContact CG1-CG2 4.26Å
653F96.1Very high95.2Very high2 Ų239.4 Ų39.41%0.00919%0.194CC..Iπ-helixtrans-73-40.3-169.5-67.1-3.3000113.3F11 D621 A622 L625 V648 L649 W656 Y657 T773 I776F11-F653 HydrophobicContact CD1-CD2 4.47Å; F11-F653 HydrophobicContact CE1-CB 3.92Å; F11-F653 HydrophobicContact CE1-CD2 4.4Å; F11-F653 HydrophobicContact CE2-CB 4.23Å; F11-F653 HydrophobicContact CZ-CB 3.62Å; D621-F653 HydrophobicContact CB-CE2 3.6Å; D621-F653 HydrophobicContact CB-CZ 3.8Å; A622-F653 HydrophobicContact CB-CE2 4.15Å; L625-F653 HydrophobicContact CB-CZ 4.43Å; L625-F653 HydrophobicContact CD2-CE1 3.56Å; L625-F653 HydrophobicContact CD2-CZ 4.03Å; V648-F653 HydrophobicContact CG1-CE1 4.22Å; V648-F653 HydrophobicContact CG1-CE2 4.49Å; V648-F653 HydrophobicContact CG1-CZ 4.13Å; V648-F653 PolarHBondContact O-N 3.11Å; L649-F653 HydrophobicContact CD2-CB 4.35Å; L649-F653 HydrophobicContact CD2-CD2 3.44Å; L649-F653 VanDerWaalsContact CD2-CD2 3.44Å; L649-F653 HydrophobicContact CD2-CE2 4.08Å; L649-F653 HydrophobicContact CD2-CG 4.27Å; L649-F653 PolarHBondContact O-N 3.2Å; F653-W656 PolarHBondContact O-N 3.29Å; F653-Y657 WeakPolarHBondContact O-CB 3.2Å; F653-Y657 PolarHBondContact O-N 3.19Å; F653-T773 HydrophobicContact CE1-CG2 3.84Å; F653-T773 HydrophobicContact CZ-CG2 3.58Å; F653-I776 HydrophobicContact CB-CD1 3.94Å; F653-I776 HydrophobicContact CD1-CD1 4.28Å; F653-I776 HydrophobicContact CD2-CD1 4.16Å; F653-I776 HydrophobicContact CG-CD1 3.9Å
654L96Very high95.4Very high65 Ų6533.9 Ų33.934%0.3417%0.168SC..Hα-helixtrans-63.3-49.2177.5-80.4172.7000112I9 F11 L649 W656 Y657 N658I9-L654 HydrophobicContact CG2-CD2 4.01Å; F11-L654 HydrophobicContact CE2-CD2 4.07Å; F11-L654 HydrophobicContact CE2-CG 4.17Å; F11-L654 HydrophobicContact CZ-CD2 4.32Å; F11-L654 HydrophobicContact CZ-CG 4.49Å; L649-L654 WeakPolarHBondContact O-CB 3.43Å; L649-L654 WeakPolarHBondContact O-CG 3.38Å; L649-L654 PolarHBondContact O-N 3.14Å; L654-W656 VanDerWaalsContact C-N 3.34Å; L654-W656 PolarHBondContact O-N 2.96Å; L654-Y657 PolarHBondContact O-N 3.13Å; L654-N658 WeakPolarHBondContact O-CB 3.39Å; L654-N658 PolarHBondContact O-N 2.88Å; L654-N658 PolarHBondContact O-ND2 3.17Å
655P96.3Very high95.4Very high34 Ų3436.6 Ų36.622%0.22118%0.176CC..Hα-helixtrans-56.3-45.9173.3-28.936.1000113K650 V652 N658 A659 V727 T731K650-P655 VanDerWaalsContact O-CD 3.24Å; K650-P655 WeakPolarHBondContact O-CD 3.46Å; V652-P655 WeakPolarHBondContact O-CD 3.39Å; P655-N658 PolarHBondContact O-N 2.78Å; P655-A659 PolarHBondContact O-N 3.18Å; P655-V727 HydrophobicContact CB-CG1 4.3Å; P655-T731 HydrophobicContact CB-CG2 3.96Å; P655-T731 VanDerWaalsContact O-CG2 3.3Å; P655-T731 WeakPolarHBondContact O-CG2 3.25Å
656W97.1Very high95.3Very high0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-64.6-46.2-180-173.722000112.5V652 F653 L654 N658 A659 Y660 V727 M765 M769 I776 T777 M780V652-W656 WeakPolarHBondContact O-CB 3.41Å; V652-W656 PolarHBondContact O-N 2.71Å; V652-W656 VanDerWaalsContact O-N 3.13Å; F653-W656 PolarHBondContact O-N 3.29Å; L654-W656 VanDerWaalsContact C-N 3.34Å; L654-W656 PolarHBondContact O-N 2.96Å; W656-N658 VanDerWaalsContact C-N 3.28Å; W656-N658 PolarHBondContact O-N 3.42Å; W656-A659 PolarHBondContact O-N 3.27Å; W656-Y660 PolarHBondContact O-N 3.21Å; W656-V727 HydrophobicContact CB-CG1 3.82Å; W656-V727 HydrophobicContact CB-CG2 4.43Å; W656-V727 HydrophobicContact CG-CG2 4.46Å; W656-M765 HydrophobicContact CZ2-CB 4.22Å; W656-M769 HydrophobicContact CH2-CB 3.67Å; W656-M769 HydrophobicContact CH2-CG 3.81Å; W656-M769 HydrophobicContact CZ2-CG 4.47Å; W656-M769 HydrophobicContact CZ3-CB 4.25Å; W656-M769 HydrophobicContact CZ3-CE 4.1Å; W656-M769 HydrophobicContact CZ3-CG 4.22Å; W656-I776 HydrophobicContact CE3-CD1 4.2Å; W656-I776 HydrophobicContact CZ3-CD1 4.44Å; W656-I776 HydrophobicContact CZ3-CG2 3.88Å; W656-T777 HydrophobicContact CH2-CG2 3.68Å; W656-T777 HydrophobicContact CZ3-CG2 4.39Å; W656-M780 HydrophobicContact CD2-CE 4.33Å; W656-M780 HydrophobicContact CD2-SD 4.37Å; W656-M780 HydrophobicContact CG-CE 4.49Å; W656-M780 HydrophobicContact CZ2-SD 4.23Å
657Y97.3Very high95.3Very high2 Ų231.3 Ų31.31%0.00816%0.157CC..Hα-helixtrans-59.6-39.4174.6176.4-97.3000112.1V5 P6 I9 F653 L654 A659 Y660 R661 M779 M780V5-Y657 HydrophobicContact CG1-CE2 4.04Å; V5-Y657 WeakPolarHBondContact CG1-OH 3.44Å; P6-Y657 PolarHBondContact O-OH 2.88Å; I9-Y657 HydrophobicContact CB-CD1 4.31Å; I9-Y657 HydrophobicContact CB-CE1 3.93Å; I9-Y657 HydrophobicContact CB-CE2 4.3Å; I9-Y657 HydrophobicContact CD1-CD2 3.66Å; I9-Y657 HydrophobicContact CD1-CE2 3.51Å; I9-Y657 HydrophobicContact CD1-CG 4.29Å; I9-Y657 HydrophobicContact CG1-CE2 4.44Å; I9-Y657 HydrophobicContact CG2-CD1 3.81Å; I9-Y657 HydrophobicContact CG2-CE1 3.92Å; I9-Y657 HydrophobicContact CG2-CG 4.14Å; F653-Y657 WeakPolarHBondContact O-CB 3.2Å; F653-Y657 PolarHBondContact O-N 3.19Å; L654-Y657 PolarHBondContact O-N 3.13Å; Y657-A659 PolarHBondContact O-N 3.15Å; Y657-Y660 AromaticContact CD2-CD1 3.99Å; Y657-Y660 HydrophobicContact CD2-CD1 3.99Å; Y657-Y660 HydrophobicContact CD2-CE1 4.41Å; Y657-Y660 HydrophobicContact CE2-CD1 4.13Å; Y657-Y660 HydrophobicContact CE2-CE1 4.15Å; Y657-Y660 PolarHBondContact O-N 2.59Å; Y657-R661 WeakPolarHBondContact O-CB 3.43Å; Y657-R661 PolarHBondContact O-N 3.45Å; Y657-M779 HydrophobicContact CD2-CE 3.99Å; Y657-M779 HydrophobicContact CE2-CE 4.12Å; Y657-M780 HydrophobicContact CD2-CE 4.04Å; Y657-M780 HydrophobicContact CG-CE 4.49Å
658N95.7Very high95.2Very high72 Ų7231.2 Ų31.239%0.38515%0.154SC..Hα-helixtrans-65.7-36.4176.8-75-37.2000112.6L654 P655 W656 F662L654-N658 WeakPolarHBondContact O-CB 3.39Å; L654-N658 PolarHBondContact O-N 2.88Å; L654-N658 PolarHBondContact O-ND2 3.17Å; P655-N658 PolarHBondContact O-N 2.78Å; W656-N658 VanDerWaalsContact C-N 3.28Å; W656-N658 PolarHBondContact O-N 3.42Å; N658-F662 VanDerWaalsContact O-CB 3.25Å; N658-F662 WeakPolarHBondContact O-CB 3.37Å; N658-F662 PolarHBondContact O-N 3.05Å
659A96.6Very high95Very high4 Ų432.8 Ų32.83%0.03316%0.159CC..Hα-helixtrans-65.3-44.1172.700000112P655 W656 Y657 F662 L663 T731 V735 L762P655-A659 PolarHBondContact O-N 3.18Å; W656-A659 PolarHBondContact O-N 3.27Å; Y657-A659 PolarHBondContact O-N 3.15Å; A659-F662 PolarHBondContact O-N 3.05Å; A659-L663 PolarHBondContact O-N 3.19Å; A659-T731 HydrophobicContact CB-CG2 3.99Å; A659-V735 HydrophobicContact CB-CG2 4.29Å; A659-L762 HydrophobicContact CB-CD2 4.42Å
660Y97.2Very high94.8Very high5 Ų531.7 Ų31.72%0.0215%0.153CC..Hα-helixtrans-60.9-46.9173.7156.4-114.8000112.3V5 W656 Y657 F662 L663 V664 M780 N783 L784V5-Y660 HydrophobicContact CG1-CE1 3.81Å; V5-Y660 HydrophobicContact CG2-CE1 4.19Å; W656-Y660 PolarHBondContact O-N 3.21Å; Y657-Y660 AromaticContact CD2-CD1 3.99Å; Y657-Y660 HydrophobicContact CD2-CD1 3.99Å; Y657-Y660 HydrophobicContact CD2-CE1 4.41Å; Y657-Y660 HydrophobicContact CE2-CD1 4.13Å; Y657-Y660 HydrophobicContact CE2-CE1 4.15Å; Y657-Y660 PolarHBondContact O-N 2.59Å; Y660-F662 VanDerWaalsContact C-N 3.3Å; Y660-F662 PolarHBondContact O-N 3.06Å; Y660-L663 WeakPolarHBondContact O-CB 3.28Å; Y660-L663 PolarHBondContact O-N 3.46Å; Y660-V664 HydrophobicContact CD2-CG2 3.97Å; Y660-V664 HydrophobicContact CE2-CG2 3.41Å; Y660-V664 VanDerWaalsContact CE2-CG2 3.41Å; Y660-V664 PolarHBondContact O-N 3.48Å; Y660-M780 HydrophobicContact CD1-CE 4.18Å; Y660-M780 HydrophobicContact CD1-CG 3.79Å; Y660-M780 HydrophobicContact CD1-SD 4.33Å; Y660-M780 HydrophobicContact CE1-CG 3.99Å; Y660-M780 HydrophobicContact CG-CG 4.07Å; Y660-M780 HydrophobicContact CG-SD 4.29Å; Y660-N783 WeakPolarHBondContact OH-CB 3.44Å; Y660-N783 PolarHBondContact OH-ND2 3.39Å; Y660-L784 HydrophobicContact CD2-CD1 4.4Å; Y660-L784 HydrophobicContact CD2-CD2 3.98Å; Y660-L784 HydrophobicContact CD2-CG 4.19Å; Y660-L784 HydrophobicContact CE2-CD2 3.9Å; Y660-L784 HydrophobicContact CE2-CG 3.92Å
661R95.9Very high94.6Very high45 Ų4528.6 Ų28.617%0.1714%0.141CC..Hα-helixtrans-59.7-42.5175.2179.4177.5173.6-94.210.1111.2P6 Y657 L663 V664 Q665P6-R661 WeakPolarHBondContact O-CD 3.4Å; Y657-R661 WeakPolarHBondContact O-CB 3.43Å; Y657-R661 PolarHBondContact O-N 3.45Å; R661-L663 VanDerWaalsContact C-N 3.32Å; R661-L663 PolarHBondContact O-N 3.41Å; R661-V664 PolarHBondContact O-N 2.91Å; R661-Q665 HydrophobicContact CG-CG 4.35Å; R661-Q665 WeakPolarHBondContact O-CB 3.34Å; R661-Q665 VanDerWaalsContact O-CG 3.27Å; R661-Q665 WeakPolarHBondContact O-CG 3.45Å; R661-Q665 PolarHBondContact O-N 3.2Å
662F95.6Very high94.3Very high23 Ų2333 Ų3310%0.10116%0.155CC..Hα-helixtrans-61.4-40.7177.6-174.8-105.9000111.7N658 A659 Y660 N666 V735 R739 L742 K743 L758N658-F662 VanDerWaalsContact O-CB 3.25Å; N658-F662 WeakPolarHBondContact O-CB 3.37Å; N658-F662 PolarHBondContact O-N 3.05Å; A659-F662 PolarHBondContact O-N 3.05Å; Y660-F662 VanDerWaalsContact C-N 3.3Å; Y660-F662 PolarHBondContact O-N 3.06Å; F662-N666 WeakPolarHBondContact CD2-ND2 3.24Å; F662-N666 WeakPolarHBondContact CE1-ND2 3.15Å; F662-N666 WeakPolarHBondContact CE2-ND2 3.48Å; F662-N666 WeakPolarHBondContact CZ-ND2 3.32Å; F662-N666 PolarHBondContact O-N 3.35Å; F662-N666 PolarHBondContact O-ND2 3.43Å; F662-V735 HydrophobicContact CD1-CG1 3.87Å; F662-V735 HydrophobicContact CE1-CG1 4.18Å; F662-R739 HydrophobicContact CE1-CG 4.42Å; F662-R739 HydrophobicContact CE2-CG 4.12Å; F662-R739 HydrophobicContact CZ-CG 3.63Å; F662-L742 HydrophobicContact CD1-CD1 4.35Å; F662-L742 HydrophobicContact CE1-CB 3.62Å; F662-L742 HydrophobicContact CE1-CD1 3.7Å; F662-L742 HydrophobicContact CE1-CG 4.23Å; F662-L742 HydrophobicContact CZ-CB 4.11Å; F662-K743 HydrophobicContact CZ-CG 4.25Å; F662-L758 HydrophobicContact CD1-CD2 4.46Å
663L96.4Very high93.9Very high0 Ų038.3 Ų38.30%018%0.18CC..Hα-helixtrans-58.3-54.8171.8173.171.1000111.2A659 Y660 R661 Q665 N666 V667 L755 L758 F759 L762 L784A659-L663 PolarHBondContact O-N 3.19Å; Y660-L663 WeakPolarHBondContact O-CB 3.28Å; Y660-L663 PolarHBondContact O-N 3.46Å; R661-L663 VanDerWaalsContact C-N 3.32Å; R661-L663 PolarHBondContact O-N 3.41Å; L663-Q665 VanDerWaalsContact C-N 3.29Å; L663-Q665 PolarHBondContact O-N 3.43Å; L663-N666 PolarHBondContact O-N 3.09Å; L663-N666 VanDerWaalsContact O-N 3.15Å; L663-V667 HydrophobicContact CD1-CG2 4.1Å; L663-V667 HydrophobicContact CG-CG2 4.42Å; L663-V667 WeakPolarHBondContact O-CG2 3.26Å; L663-V667 PolarHBondContact O-N 3.04Å; L663-L755 HydrophobicContact CD1-CD2 3.92Å; L663-L758 HydrophobicContact CB-CD2 3.9Å; L663-L758 HydrophobicContact CB-CG 4.29Å; L663-L758 HydrophobicContact CD1-CB 4.3Å; L663-L758 HydrophobicContact CD1-CD2 4.1Å; L663-L758 HydrophobicContact CD1-CG 4.15Å; L663-F759 HydrophobicContact CD1-CB 4.33Å; L663-F759 HydrophobicContact CD2-CB 4.14Å; L663-F759 HydrophobicContact CD2-CD2 3.9Å; L663-F759 HydrophobicContact CD2-CG 4.44Å; L663-L762 HydrophobicContact CB-CD1 4.03Å; L663-L762 HydrophobicContact CD2-CD1 3.67Å; L663-L762 HydrophobicContact CG-CD1 4.47Å; L663-L784 HydrophobicContact CD2-CD2 3.95Å
664V96.1Very high93.3Very high1 Ų142.5 Ų42.51%0.00620%0.199CC..Hα-helixtrans-57.5-43.6-177.61740000111.4V2 E3 V5 Y660 R661 N666 V667 Q668V2-V664 HydrophobicContact CG2-CG1 3.89Å; V2-V664 HydrophobicContact CG2-CG2 4.17Å; E3-V664 WeakPolarHBondContact O-CG1 3.43Å; V5-V664 HydrophobicContact CG2-CB 3.82Å; V5-V664 HydrophobicContact CG2-CG1 3.65Å; V5-V664 HydrophobicContact CG2-CG2 3.89Å; Y660-V664 HydrophobicContact CD2-CG2 3.97Å; Y660-V664 HydrophobicContact CE2-CG2 3.41Å; Y660-V664 VanDerWaalsContact CE2-CG2 3.41Å; Y660-V664 PolarHBondContact O-N 3.48Å; R661-V664 PolarHBondContact O-N 2.91Å; V664-N666 PolarHBondContact O-N 3.45Å; V664-V667 PolarHBondContact O-N 3.15Å; V664-Q668 HydrophobicContact CG1-CG 4.41Å; V664-Q668 WeakPolarHBondContact O-CB 3.19Å; V664-Q668 WeakPolarHBondContact O-CG 3.27Å; V664-Q668 PolarHBondContact O-N 2.9Å
665Q94.1Very high92.9Very high75 Ų7548 Ų4835%0.3522%0.223SC..Hα-helixtrans-60.4-43.9178.4-74.4-177.3-36.800112.7R661 L663 Q668 R669R661-Q665 HydrophobicContact CG-CG 4.35Å; R661-Q665 WeakPolarHBondContact O-CB 3.34Å; R661-Q665 VanDerWaalsContact O-CG 3.27Å; R661-Q665 WeakPolarHBondContact O-CG 3.45Å; R661-Q665 PolarHBondContact O-N 3.2Å; L663-Q665 VanDerWaalsContact C-N 3.29Å; L663-Q665 PolarHBondContact O-N 3.43Å; Q665-Q668 PolarHBondContact O-N 3.19Å; Q665-R669 WeakPolarHBondContact O-CB 3.47Å; Q665-R669 PolarHBondContact O-N 3.19Å
666N94.1Very high92.5Very high9 Ų949 Ų495%0.04823%0.226CC..Hα-helixtrans-76.1-29.9-179.1-71.7-70.3000112.4F662 L663 V664 R669 L670 L742 L755F662-N666 WeakPolarHBondContact CD2-ND2 3.24Å; F662-N666 WeakPolarHBondContact CE1-ND2 3.15Å; F662-N666 WeakPolarHBondContact CE2-ND2 3.48Å; F662-N666 WeakPolarHBondContact CZ-ND2 3.32Å; F662-N666 PolarHBondContact O-N 3.35Å; F662-N666 PolarHBondContact O-ND2 3.43Å; L663-N666 PolarHBondContact O-N 3.09Å; L663-N666 VanDerWaalsContact O-N 3.15Å; V664-N666 PolarHBondContact O-N 3.45Å; N666-R669 PolarHBondContact O-N 2.72Å; N666-L670 WeakPolarHBondContact O-CB 3.25Å; N666-L670 PolarHBondContact O-N 3.24Å; N666-L742 WeakPolarHBondContact CB-O 3.19Å; N666-L742 VanDerWaalsContact CG-O 3.22Å; N666-L742 PolarHBondContact OD1-O 2.92Å; N666-L755 HydrophobicContact CB-CD2 3.76Å
667V94Very high92.1Very high0 Ų056 Ų560%026%0.259CS..Hα-helixtrans-64.7-45.2170.1169.20000111V2 L663 V664 R669 L670 Q671 F678 L787V2-V667 HydrophobicContact CG1-CG1 4.26Å; L663-V667 HydrophobicContact CD1-CG2 4.1Å; L663-V667 HydrophobicContact CG-CG2 4.42Å; L663-V667 WeakPolarHBondContact O-CG2 3.26Å; L663-V667 PolarHBondContact O-N 3.04Å; V664-V667 PolarHBondContact O-N 3.15Å; V667-R669 VanDerWaalsContact C-N 3.34Å; V667-R669 PolarHBondContact O-N 2.75Å; V667-L670 WeakPolarHBondContact O-CB 3.33Å; V667-L670 PolarHBondContact O-N 3.15Å; V667-Q671 WeakPolarHBondContact O-CG 3.22Å; V667-Q671 PolarHBondContact O-N 2.91Å; V667-F678 HydrophobicContact CG1-CB 3.81Å; V667-F678 HydrophobicContact CG1-CD1 4.23Å; V667-F678 HydrophobicContact CG1-CG 4.21Å; V667-F678 HydrophobicContact CG2-CB 4.46Å; V667-F678 HydrophobicContact CG2-CD1 3.96Å; V667-F678 HydrophobicContact CG2-CE1 4.32Å; V667-F678 HydrophobicContact CG2-CG 4.06Å; V667-L787 HydrophobicContact CG1-CD1 4.16Å; V667-L787 HydrophobicContact CG1-CD2 3.95Å; V667-L787 HydrophobicContact CG2-CD1 4.41Å
668Q91.6Very high91.8Very high55 Ų5556.1 Ų56.126%0.25726%0.259SS..Hα-helixtrans-64.3-39.5175.8-73.6-178.6-34.100112V2 P4 V664 Q665 Q671 K672V2-Q668 HydrophobicContact CG1-CG 3.9Å; V2-Q668 PolarHBondContact O-NE2 3.4Å; P4-Q668 VanDerWaalsContact N-NE2 3.19Å; V664-Q668 HydrophobicContact CG1-CG 4.41Å; V664-Q668 WeakPolarHBondContact O-CB 3.19Å; V664-Q668 WeakPolarHBondContact O-CG 3.27Å; V664-Q668 PolarHBondContact O-N 2.9Å; Q665-Q668 PolarHBondContact O-N 3.19Å; Q668-Q671 PolarHBondContact O-N 3.09Å; Q668-K672 WeakPolarHBondContact O-CB 3.35Å; Q668-K672 PolarHBondContact O-N 3.48Å
669R90.7Very high91.6Very high47 Ų4756 Ų5618%0.17726%0.259CS..Hα-helixtrans-57.5-51.1173.1-173.9-164.966.475.82.6110.7Q665 N666 V667 Q671 K672 E673 K743Q665-R669 WeakPolarHBondContact O-CB 3.47Å; Q665-R669 PolarHBondContact O-N 3.19Å; N666-R669 PolarHBondContact O-N 2.72Å; V667-R669 VanDerWaalsContact C-N 3.34Å; V667-R669 PolarHBondContact O-N 2.75Å; R669-Q671 VanDerWaalsContact C-N 3.33Å; R669-Q671 PolarHBondContact O-N 3.28Å; R669-K672 PolarHBondContact O-N 3.45Å; R669-K672 VanDerWaalsContact O-N 3.13Å; R669-E673 WeakPolarHBondContact CD-OE2 3.41Å; R669-E673 HydrophobicContact CG-CG 4.11Å; R669-E673 WeakPolarHBondContact CG-OE1 3.38Å; R669-E673 WeakPolarHBondContact CG-OE2 3.47Å; R669-E673 IonicContact CZ-OE2 3.89Å; R669-E673 IonicContact NH1-OE2 3.15Å; R669-E673 PolarHBondContact NH1-OE2 3.28Å; R669-E673 WeakPolarHBondContact O-CB 3.24Å; R669-E673 PolarHBondContact O-N 3.03Å; R669-K743 PolarHBondContact NE-O 3.5Å; R669-K743 VanDerWaalsContact NH2-C 3.32Å; R669-K743 PolarHBondContact NH2-O 3.44Å
670L89.3Confident91.4Very high0 Ų055.9 Ų55.90%026%0.257CS..Hα-helixtrans-56.8-46.2178.6-173.579.1000111.7N666 V667 K672 E674 E675 I676 F678 T748 L752 L755N666-L670 WeakPolarHBondContact O-CB 3.25Å; N666-L670 PolarHBondContact O-N 3.24Å; V667-L670 WeakPolarHBondContact O-CB 3.33Å; V667-L670 PolarHBondContact O-N 3.15Å; L670-K672 VanDerWaalsContact C-N 3.29Å; L670-K672 PolarHBondContact O-N 3.42Å; L670-E674 HydrophobicContact CD1-CB 4.3Å; L670-E674 HydrophobicContact CD1-CG 4.1Å; L670-E674 WeakPolarHBondContact O-CB 3.34Å; L670-E674 PolarHBondContact O-N 3.38Å; L670-E675 PolarHBondContact O-N 3.43Å; L670-I676 HydrophobicContact CD2-CB 4.28Å; L670-I676 HydrophobicContact CD2-CG2 4.1Å; L670-I676 HydrophobicContact CG-CB 4.15Å; L670-F678 HydrophobicContact CD2-CB 4.45Å; L670-T748 HydrophobicContact CD1-CG2 4.1Å; L670-L752 HydrophobicContact CD2-CD2 3.51Å; L670-L752 HydrophobicContact CD2-CG 4.34Å; L670-L755 HydrophobicContact CD2-CD1 4.34Å
671Q89.3Confident91Very high62 Ų6256.4 Ų56.429%0.2926%0.26SS..Hα-helixtrans-63.5-33.9178-74173.3-10.900113V667 Q668 R669 E675 I676V667-Q671 WeakPolarHBondContact O-CG 3.22Å; V667-Q671 PolarHBondContact O-N 2.91Å; Q668-Q671 PolarHBondContact O-N 3.09Å; R669-Q671 VanDerWaalsContact C-N 3.33Å; R669-Q671 PolarHBondContact O-N 3.28Å; Q671-E675 WeakPolarHBondContact O-CA 3.36Å; Q671-I676 WeakPolarHBondContact CA-O 3.38Å; Q671-I676 VanDerWaalsContact CG-O 3.27Å; Q671-I676 WeakPolarHBondContact CG-O 3.4Å
672K86.8Confident90.4Very high183 Ų18356.5 Ų56.580%0.79626%0.263SS*.Hα-helixtrans-86.7-41.5-176.1-173.3-178.4177.7-173.10113.4Q668 R669 L670Q668-K672 WeakPolarHBondContact O-CB 3.35Å; Q668-K672 PolarHBondContact O-N 3.48Å; R669-K672 PolarHBondContact O-N 3.45Å; R669-K672 VanDerWaalsContact O-N 3.13Å; L670-K672 VanDerWaalsContact C-N 3.29Å; L670-K672 PolarHBondContact O-N 3.42Å
673E85.8Confident89.6Confident121 Ų12161.3 Ų61.357%0.56529%0.289SS*.Hα-helixtrans-88.5-36.1-173.5-66.9177.1-179.100112.2R669R669-E673 WeakPolarHBondContact CD-OE2 3.41Å; R669-E673 HydrophobicContact CG-CG 4.11Å; R669-E673 WeakPolarHBondContact CG-OE1 3.38Å; R669-E673 WeakPolarHBondContact CG-OE2 3.47Å; R669-E673 IonicContact CZ-OE2 3.89Å; R669-E673 IonicContact NH1-OE2 3.15Å; R669-E673 PolarHBondContact NH1-OE2 3.28Å; R669-E673 WeakPolarHBondContact O-CB 3.24Å; R669-E673 PolarHBondContact O-N 3.03Å
674E83.9Confident88.8Confident90 Ų9066 Ų6642%0.42132%0.318SS..SBendtrans-111-3.9-174.1-54.7-76155.300112.6L670 I676 T748L670-E674 HydrophobicContact CD1-CB 4.3Å; L670-E674 HydrophobicContact CD1-CG 4.1Å; L670-E674 WeakPolarHBondContact O-CB 3.34Å; L670-E674 PolarHBondContact O-N 3.38Å; E674-I676 HydrophobicContact CB-CD1 4.03Å; E674-I676 HydrophobicContact CB-CG1 4.15Å; E674-I676 PolarHBondContact O-N 3.34Å; E674-I676 VanDerWaalsContact O-N 3.12Å; E674-T748 HydrophobicContact CG-CG2 4.26Å; E674-T748 PolarHBondContact OE2-OG1 2.96Å
675E86.4Confident87.8Confident179 Ų17968.2 Ų68.284%0.83633%0.332SS*.  trans56.522.7-175.7-58-173.1158.300114.3L670 Q671L670-E675 PolarHBondContact O-N 3.43Å; Q671-E675 WeakPolarHBondContact O-CA 3.36Å
676I88.1Confident86.9Confident56 Ų5671.5 Ų71.529%0.28735%0.345SS..PPolyproline II helixtrans-93.4122.9179.4-63.7170.1000110.4L670 Q671 E674 F678 T748 L752L670-I676 HydrophobicContact CD2-CB 4.28Å; L670-I676 HydrophobicContact CD2-CG2 4.1Å; L670-I676 HydrophobicContact CG-CB 4.15Å; Q671-I676 WeakPolarHBondContact CA-O 3.38Å; Q671-I676 VanDerWaalsContact CG-O 3.27Å; Q671-I676 WeakPolarHBondContact CG-O 3.4Å; E674-I676 HydrophobicContact CB-CD1 4.03Å; E674-I676 HydrophobicContact CB-CG1 4.15Å; E674-I676 PolarHBondContact O-N 3.34Å; E674-I676 VanDerWaalsContact O-N 3.12Å; I676-F678 PolarHBondContact O-N 3Å; I676-T748 HydrophobicContact CD1-CG2 3.49Å; I676-T748 VanDerWaalsContact CD1-CG2 3.49Å; I676-L752 HydrophobicContact CG2-CD2 4.26Å
677Q88.9Confident85.8Confident146 Ų14677.6 Ų77.668%0.68237%0.373SS*.PPolyproline II helixtrans-78.6116.5171.1-172.1179.2-3.900110.9L679Q677-L679 HydrophobicContact CG-CG 4.35Å
678F91.6Very high85.4Confident5 Ų578 Ų782%0.02238%0.376CS..PPolyproline II helixtrans-80.7122.5171.7-176.2-91.8000111.5V667 L670 I676 L752 L755 E756 F759 L787V667-F678 HydrophobicContact CG1-CB 3.81Å; V667-F678 HydrophobicContact CG1-CD1 4.23Å; V667-F678 HydrophobicContact CG1-CG 4.21Å; V667-F678 HydrophobicContact CG2-CB 4.46Å; V667-F678 HydrophobicContact CG2-CD1 3.96Å; V667-F678 HydrophobicContact CG2-CE1 4.32Å; V667-F678 HydrophobicContact CG2-CG 4.06Å; L670-F678 HydrophobicContact CD2-CB 4.45Å; I676-F678 PolarHBondContact O-N 3Å; F678-L752 HydrophobicContact CD2-CD2 4.23Å; F678-L755 HydrophobicContact CD2-CB 4.39Å; F678-L755 HydrophobicContact CE2-CB 3.75Å; F678-L755 HydrophobicContact CZ-CB 4.35Å; F678-E756 HydrophobicContact CE2-CG 3.82Å; F678-E756 HydrophobicContact CZ-CG 4.22Å; F678-F759 HydrophobicContact CE1-CB 4.21Å; F678-F759 AromaticContact CE1-CD2 3.88Å; F678-F759 HydrophobicContact CE1-CD2 3.88Å; F678-F759 HydrophobicContact CE1-CG 4.12Å; F678-F759 HydrophobicContact CZ-CB 3.97Å; F678-F759 HydrophobicContact CZ-CD2 4.49Å; F678-F759 HydrophobicContact CZ-CG 4.33Å; F678-L787 HydrophobicContact CD1-CB 4.25Å; F678-L787 HydrophobicContact CD1-CD1 4.28Å; F678-L787 HydrophobicContact CD1-CD2 4.28Å; F678-L787 HydrophobicContact CE1-CB 4.45Å
679L91.3Very high85.1Confident71 Ų7181.6 Ų81.637%0.37240%0.397SS..  trans-137.2126.5169.5-71.2175000108.9Q677 L787Q677-L679 HydrophobicContact CG-CG 4.35Å; L679-L787 CarbonylContact C-O 3.54Å; L679-L787 WeakPolarHBondContact CA-O 3.36Å
680Y91.6Very high85.1Confident1 Ų181 Ų810%0.00440%0.397CS..BIsolated β-bridgetrans-88.9129.8177175.7-97.8000110.7E682 V685 F759 S760 L787 D789Y680-E682 HydrophobicContact CE1-CB 3.94Å; Y680-V685 HydrophobicContact CD2-CG2 4.31Å; Y680-V685 HydrophobicContact CE2-CG2 3.64Å; Y680-F759 VanDerWaalsContact CB-CD1 3.44Å; Y680-F759 AromaticContact CD1-CD1 3.53Å; Y680-F759 HydrophobicContact CD1-CD1 3.53Å; Y680-F759 AromaticContact CD1-CE1 3.38Å; Y680-F759 HydrophobicContact CD1-CE1 3.38Å; Y680-F759 AromaticContact CD2-CD1 3.63Å; Y680-F759 HydrophobicContact CD2-CD1 3.63Å; Y680-F759 HydrophobicContact CD2-CE1 4.33Å; Y680-F759 HydrophobicContact CD2-CG 4.38Å; Y680-F759 HydrophobicContact CE1-CD1 4.14Å; Y680-F759 HydrophobicContact CE1-CE1 4.13Å; Y680-F759 HydrophobicContact CE2-CD1 4.24Å; Y680-F759 AromaticContact CG-CD1 3.22Å; Y680-F759 HydrophobicContact CG-CD1 3.22Å; Y680-F759 AromaticContact CG-CE1 3.48Å; Y680-F759 HydrophobicContact CG-CE1 3.48Å; Y680-F759 VanDerWaalsContact CG-CE1 3.48Å; Y680-F759 HydrophobicContact CG-CG 4.16Å; Y680-S760 WeakPolarHBondContact OH-CB 3.22Å; Y680-S760 PolarHBondContact OH-OG 2.92Å; Y680-L787 PolarHBondContact N-O 3.16Å; Y680-D789 WeakPolarHBondContact O-CB 3.47Å; Y680-D789 PolarHBondContact O-N 2.86Å
681N88.4Confident85.2Confident15 Ų1584 Ų848%0.0841%0.413CS..  trans-134.4112.2172.9-177.6-29.4000109.7N683 T684 V685 D789N681-N683 PolarHBondContact O-N 3.34Å; N681-N683 WeakPolarHBondContact OD1-CB 2.93Å; N681-N683 PolarHBondContact OD1-N 2.91Å; N681-T684 WeakPolarHBondContact CB-OG1 3.15Å; N681-T684 PolarHBondContact O-N 3.04Å; N681-T684 VanDerWaalsContact O-N 3.15Å; N681-T684 PolarHBondContact O-OG1 2.71Å; N681-V685 WeakPolarHBondContact O-CG2 3.42Å; N681-V685 PolarHBondContact O-N 3.27Å; N681-D789 HydrophobicContact CB-CB 3.76Å; N681-D789 PolarHBondContact ND2-OD2 3.4Å
682E83.6Confident85.4Confident48 Ų4881 Ų8122%0.22440%0.399CS..THydrogen-bonded Turntrans-60.6-28.4-174.6-171.8163.6-164.700113.1Y680 S792 R810Y680-E682 HydrophobicContact CE1-CB 3.94Å; E682-S792 PolarHBondContact N-OG 2.94Å; E682-R810 IonicContact OE1-CZ 3.98Å; E682-R810 IonicContact OE1-NE 2.77Å; E682-R810 IonicContact OE1-NH1 2.9Å; E682-R810 IonicContact OE1-NH2 2.92Å
683N79.8Confident85.8Confident123 Ų12372.4 Ų72.466%0.65836%0.361SS*.THydrogen-bonded Turntrans-80.1-18.4-177.9-63.3-43.7000113.4N681N681-N683 PolarHBondContact O-N 3.34Å; N681-N683 WeakPolarHBondContact OD1-CB 2.93Å; N681-N683 PolarHBondContact OD1-N 2.91Å
684T79.3Confident86.2Confident99 Ų9970.3 Ų70.361%0.60735%0.35SS*.THydrogen-bonded Turntrans-118.33.5-175.8630000113.6N681 K686N681-T684 WeakPolarHBondContact CB-OG1 3.15Å; N681-T684 PolarHBondContact O-N 3.04Å; N681-T684 VanDerWaalsContact O-N 3.15Å; N681-T684 PolarHBondContact O-OG1 2.71Å; T684-K686 PolarHBondContact O-N 2.71Å
685V75.9Confident86.8Confident47 Ų4766.2 Ų66.229%0.28533%0.331SS..PPolyproline II helixtrans-57.7124.1179.4-175.60000109.9Y680 N681Y680-V685 HydrophobicContact CD2-CG2 4.31Å; Y680-V685 HydrophobicContact CE2-CG2 3.64Å; N681-V685 WeakPolarHBondContact O-CG2 3.42Å; N681-V685 PolarHBondContact O-N 3.27Å
686K74Confident87.3Confident145 Ų14557.7 Ų57.763%0.6329%0.291SS*.PPolyproline II helixtrans-78.9140.7171.9-68.2-176.8-178.3176.80109.5T684 S688T684-K686 PolarHBondContact O-N 2.71Å; K686-S688 PolarHBondContact O-N 3.25Å
687Q72.3Confident87.6Confident137 Ų13756.1 Ų56.164%0.6428%0.282SS*.PPolyproline II helixtrans-70.4119.8173.5-72.9-172.6-1600109.7L813Q687-L813 VanDerWaalsContact NE2-CD2 3.27Å
688S84Confident88Confident9 Ų949.1 Ų49.16%0.06325%0.25CC..PPolyproline II helixtrans-66.5140.6169.8176.40000109.9K686 N690 D693 K694K686-S688 PolarHBondContact O-N 3.25Å; S688-N690 VanDerWaalsContact C-N 3.27Å; S688-N690 WeakPolarHBondContact OG-CB 3.17Å; S688-N690 PolarHBondContact OG-N 2.86Å; S688-D693 VanDerWaalsContact CB-OD2 3.28Å; S688-D693 WeakPolarHBondContact CB-OD2 3.27Å; S688-D693 PolarHBondContact OG-OD2 3.43Å; S688-K694 WeakPolarHBondContact O-CE 3.26Å
689D85.1Confident88.2Confident130 Ų13051.3 Ų51.370%0.69526%0.259SS*.  trans-81.5-6.5173.9-83-38.2000113.9I691 K694D689-I691 PolarHBondContact O-N 3.25Å; D689-K694 IonicContact OD1-NZ 3.83Å; D689-K694 PolarHBondContact OD1-NZ 3.23Å; D689-K694 VanDerWaalsContact OD1-NZ 3.11Å
690N91.2Very high88.4Confident34 Ų3448 Ų4818%0.18224%0.242CC..  trans-69.2131.5178.2-172.5-81.2000112.1S688 M692 D693 K694 R741S688-N690 VanDerWaalsContact C-N 3.27Å; S688-N690 WeakPolarHBondContact OG-CB 3.17Å; S688-N690 PolarHBondContact OG-N 2.86Å; N690-M692 VanDerWaalsContact C-N 3.32Å; N690-M692 PolarHBondContact O-N 3.13Å; N690-M692 WeakPolarHBondContact OD1-CA 3.45Å; N690-M692 WeakPolarHBondContact OD1-CB 2.98Å; N690-M692 PolarHBondContact OD1-N 3.34Å; N690-D693 HydrophobicContact CB-CB 4.16Å; N690-D693 PolarHBondContact O-N 2.87Å; N690-D693 PolarHBondContact OD1-N 3.27Å; N690-K694 PolarHBondContact O-N 3.5Å; N690-R741 VanDerWaalsContact CG-CZ 3.44Å; N690-R741 PolarHBondContact ND2-NH1 2.68Å; N690-R741 PolarHBondContact OD1-NH1 3.34Å
691I92.3Very high88.7Confident63 Ų6348 Ų4832%0.32324%0.242SC..Hα-helixtrans-61.6-38.8-177.8-60.9172.1000111.8D689 K694 W695 I818 L866D689-I691 PolarHBondContact O-N 3.25Å; I691-K694 PolarHBondContact O-N 2.77Å; I691-W695 VanDerWaalsContact O-CB 3.28Å; I691-W695 WeakPolarHBondContact O-CB 3.19Å; I691-W695 PolarHBondContact O-N 3.1Å; I691-I818 HydrophobicContact CG2-CG2 4.26Å; I691-L866 HydrophobicContact CB-CD2 4.44Å; I691-L866 HydrophobicContact CG2-CD2 3.81Å
692M94.1Very high89.1Confident0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-72.1-31.6-179.9-64.9-61-66.700112.5N690 W695 I696 Y734 N738 V822 Y869N690-M692 VanDerWaalsContact C-N 3.32Å; N690-M692 PolarHBondContact O-N 3.13Å; N690-M692 WeakPolarHBondContact OD1-CA 3.45Å; N690-M692 WeakPolarHBondContact OD1-CB 2.98Å; N690-M692 PolarHBondContact OD1-N 3.34Å; M692-W695 HydrophobicContact CE-CE3 3.7Å; M692-W695 HydrophobicContact CE-CZ3 3.82Å; M692-I696 WeakPolarHBondContact O-CG2 2.99Å; M692-I696 PolarHBondContact O-N 2.8Å; M692-Y734 HydrophobicContact CB-CD2 4.37Å; M692-N738 WeakPolarHBondContact CB-ND2 3.36Å; M692-V822 HydrophobicContact SD-CG2 4.2Å; M692-Y869 HydrophobicContact CG-CE1 3.84Å; M692-Y869 HydrophobicContact CG-CE2 3.86Å; M692-Y869 VanDerWaalsContact CG-CZ 3.42Å; M692-Y869 WeakPolarHBondContact CG-OH 3.29Å; M692-Y869 HydrophobicContact SD-CE2 4.39Å
693D94.6Very high89.7Confident2 Ų246.1 Ų46.11%0.01124%0.235CC..Hα-helixtrans-68.9-46173.8-62.6-2.6000110.3S688 N690 W695 I696 Q697 Y734 R741 T757S688-D693 VanDerWaalsContact CB-OD2 3.28Å; S688-D693 WeakPolarHBondContact CB-OD2 3.27Å; S688-D693 PolarHBondContact OG-OD2 3.43Å; N690-D693 HydrophobicContact CB-CB 4.16Å; N690-D693 PolarHBondContact O-N 2.87Å; N690-D693 PolarHBondContact OD1-N 3.27Å; D693-W695 VanDerWaalsContact C-N 3.32Å; D693-W695 PolarHBondContact O-N 3.42Å; D693-I696 WeakPolarHBondContact O-CG2 3.39Å; D693-I696 PolarHBondContact O-N 3.03Å; D693-Q697 WeakPolarHBondContact O-CB 3.41Å; D693-Q697 VanDerWaalsContact O-CG 3.32Å; D693-Q697 WeakPolarHBondContact O-CG 3.49Å; D693-Q697 PolarHBondContact O-N 2.95Å; D693-Q697 VanDerWaalsContact O-N 3.13Å; D693-Y734 WeakPolarHBondContact OD1-CE2 3.35Å; D693-Y734 PolarHBondContact OD1-OH 3.2Å; D693-Y734 VanDerWaalsContact OD1-OH 3.12Å; D693-R741 IonicContact OD1-CZ 3.11Å; D693-R741 IonicContact OD1-NH1 3.83Å; D693-R741 PolarHBondContact OD1-NH1 3.13Å; D693-R741 IonicContact OD1-NH2 2.73Å; D693-R741 IonicContact OD2-CZ 3.31Å; D693-R741 IonicContact OD2-NH1 2.95Å; D693-R741 PolarHBondContact OD2-NH1 2.7Å; D693-R741 IonicContact OD2-NH2 3.95Å; D693-R741 PolarHBondContact OD2-NH2 3.45Å; D693-T757 HydrophobicContact CB-CG2 4.03Å
694K94.4Very high90.5Very high77 Ų7740.4 Ų40.434%0.33520%0.204SC..Hα-helixtrans-59.1-43.8173.6-69.6-179.4-175.7173.80111.2S688 D689 N690 I691 S698 I818S688-K694 WeakPolarHBondContact O-CE 3.26Å; D689-K694 IonicContact OD1-NZ 3.83Å; D689-K694 PolarHBondContact OD1-NZ 3.23Å; D689-K694 VanDerWaalsContact OD1-NZ 3.11Å; N690-K694 PolarHBondContact O-N 3.5Å; I691-K694 PolarHBondContact O-N 2.77Å; K694-S698 WeakPolarHBondContact O-CB 3.34Å; K694-S698 PolarHBondContact O-N 3Å; K694-I818 HydrophobicContact CB-CD1 4.01Å; K694-I818 HydrophobicContact CD-CD1 4.46Å
695W95.9Very high91.4Very high4 Ų439.9 Ų39.92%0.01520%0.195CC..Hα-helixtrans-60-54.6177.5170.269.8000112.6I691 M692 D693 Q697 S698 F699 M729 W733 I818 V822I691-W695 VanDerWaalsContact O-CB 3.28Å; I691-W695 WeakPolarHBondContact O-CB 3.19Å; I691-W695 PolarHBondContact O-N 3.1Å; M692-W695 HydrophobicContact CE-CE3 3.7Å; M692-W695 HydrophobicContact CE-CZ3 3.82Å; D693-W695 VanDerWaalsContact C-N 3.32Å; D693-W695 PolarHBondContact O-N 3.42Å; W695-Q697 PolarHBondContact O-N 2.97Å; W695-S698 PolarHBondContact O-N 3.14Å; W695-F699 WeakPolarHBondContact O-CB 3.45Å; W695-F699 PolarHBondContact O-N 3.15Å; W695-M729 HydrophobicContact CH2-CB 4.1Å; W695-M729 HydrophobicContact CZ2-SD 4.44Å; W695-W733 HydrophobicContact CH2-CB 4.12Å; W695-W733 HydrophobicContact CZ3-CB 4.38Å; W695-I818 HydrophobicContact CB-CG2 3.53Å; W695-I818 HydrophobicContact CG-CG2 4.26Å; W695-V822 HydrophobicContact CB-CG2 3.94Å; W695-V822 HydrophobicContact CD2-CB 4.12Å; W695-V822 HydrophobicContact CD2-CG1 3.73Å; W695-V822 HydrophobicContact CD2-CG2 4.07Å; W695-V822 VanDerWaalsContact CE2-CG1 3.4Å; W695-V822 HydrophobicContact CE3-CG1 4.3Å; W695-V822 HydrophobicContact CG-CB 3.93Å; W695-V822 HydrophobicContact CG-CG1 4.08Å; W695-V822 HydrophobicContact CG-CG2 3.56Å; W695-V822 HydrophobicContact CH2-CG1 4.26Å; W695-V822 HydrophobicContact CZ2-CG1 3.71Å
696I96.6Very high92.4Very high0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-66.3-32.3-174.9-165.463.1000111M692 D693 T700 F726 Y734 T757 V761M692-I696 WeakPolarHBondContact O-CG2 2.99Å; M692-I696 PolarHBondContact O-N 2.8Å; D693-I696 WeakPolarHBondContact O-CG2 3.39Å; D693-I696 PolarHBondContact O-N 3.03Å; I696-T700 WeakPolarHBondContact O-CB 3.35Å; I696-T700 PolarHBondContact O-N 3.41Å; I696-T700 PolarHBondContact O-OG1 2.89Å; I696-F726 HydrophobicContact CD1-CE2 4.34Å; I696-F726 HydrophobicContact CD1-CZ 3.99Å; I696-Y734 HydrophobicContact CB-CD2 3.76Å; I696-Y734 HydrophobicContact CB-CE2 4.21Å; I696-Y734 HydrophobicContact CB-CG 4.11Å; I696-Y734 HydrophobicContact CG1-CD2 4.27Å; I696-Y734 HydrophobicContact CG1-CG 4.1Å; I696-Y734 HydrophobicContact CG2-CD2 3.56Å; I696-Y734 HydrophobicContact CG2-CE1 4.45Å; I696-Y734 HydrophobicContact CG2-CE2 3.47Å; I696-Y734 VanDerWaalsContact CG2-CE2 3.47Å; I696-Y734 HydrophobicContact CG2-CG 4.12Å; I696-T757 HydrophobicContact CG2-CG2 3.62Å; I696-V761 HydrophobicContact CG1-CG1 4.21Å; I696-V761 HydrophobicContact CG1-CG2 3.93Å; I696-V761 HydrophobicContact CG2-CG2 4.09Å
697Q94.9Very high93.5Very high22 Ų2232.7 Ų32.710%0.10316%0.16CC..Hα-helixtrans-65.6-49.8172.8-74.6-69.3-15.900111.5D693 W695 F699 T700 Q701 T757 S760D693-Q697 WeakPolarHBondContact O-CB 3.41Å; D693-Q697 VanDerWaalsContact O-CG 3.32Å; D693-Q697 WeakPolarHBondContact O-CG 3.49Å; D693-Q697 PolarHBondContact O-N 2.95Å; D693-Q697 VanDerWaalsContact O-N 3.13Å; W695-Q697 PolarHBondContact O-N 2.97Å; Q697-F699 VanDerWaalsContact C-N 3.33Å; Q697-F699 PolarHBondContact O-N 3.5Å; Q697-T700 WeakPolarHBondContact O-CB 3.49Å; Q697-T700 PolarHBondContact O-N 3.22Å; Q697-Q701 WeakPolarHBondContact O-CG 3.5Å; Q697-Q701 PolarHBondContact O-N 3.5Å; Q697-T757 HydrophobicContact CG-CG2 4.04Å; Q697-S760 PolarHBondContact NE2-OG 3.4Å
698S96.2Very high94.6Very high0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-55.2-49.8174.3178.80000111.4K694 W695 T700 Q701 S702 L813 I814 D815 E819K694-S698 WeakPolarHBondContact O-CB 3.34Å; K694-S698 PolarHBondContact O-N 3Å; W695-S698 PolarHBondContact O-N 3.14Å; S698-T700 VanDerWaalsContact C-N 3.27Å; S698-T700 PolarHBondContact O-N 3.03Å; S698-Q701 PolarHBondContact O-N 3Å; S698-Q701 VanDerWaalsContact O-N 3.09Å; S698-S702 PolarHBondContact O-N 3.38Å; S698-S702 PolarHBondContact O-OG 2.92Å; S698-L813 WeakPolarHBondContact CA-O 3.5Å; S698-L813 VanDerWaalsContact CB-O 3.31Å; S698-L813 WeakPolarHBondContact CB-O 3.46Å; S698-I814 WeakPolarHBondContact OG-CA 3.49Å; S698-D815 PolarHBondContact OG-N 3.38Å; S698-D815 PolarHBondContact OG-O 2.94Å; S698-E819 VanDerWaalsContact O-OE1 3.11Å; S698-E819 PolarHBondContact OG-OE1 3.27Å
699F96.2Very high95.2Very high50 Ų5032.5 Ų32.522%0.21917%0.166CC..Hα-helixtrans-63.4-35.1-178.5-167.3-117.8000111.9W695 Q697 L703 F726 M729 E819W695-F699 WeakPolarHBondContact O-CB 3.45Å; W695-F699 PolarHBondContact O-N 3.15Å; Q697-F699 VanDerWaalsContact C-N 3.33Å; Q697-F699 PolarHBondContact O-N 3.5Å; F699-L703 WeakPolarHBondContact O-CB 3.24Å; F699-L703 PolarHBondContact O-N 2.96Å; F699-F726 AromaticContact CD1-CD2 3.4Å; F699-F726 HydrophobicContact CD1-CD2 3.4Å; F699-F726 VanDerWaalsContact CD1-CD2 3.4Å; F699-F726 AromaticContact CD1-CE2 3.37Å; F699-F726 HydrophobicContact CD1-CE2 3.37Å; F699-F726 AromaticContact CE1-CD2 3.35Å; F699-F726 HydrophobicContact CE1-CD2 3.35Å; F699-F726 AromaticContact CE1-CE2 3.87Å; F699-F726 HydrophobicContact CE1-CE2 3.87Å; F699-F726 HydrophobicContact CE1-CG 4.27Å; F699-F726 HydrophobicContact CG-CD2 4.49Å; F699-F726 HydrophobicContact CG-CE2 4.27Å; F699-F726 HydrophobicContact CZ-CD2 4.44Å; F699-M729 HydrophobicContact CD1-CB 4.29Å; F699-M729 HydrophobicContact CD1-CG 4.43Å; F699-M729 HydrophobicContact CE1-CB 3.83Å; F699-M729 HydrophobicContact CE1-CG 3.59Å; F699-M729 HydrophobicContact CZ-CG 4.06Å; F699-E819 WeakPolarHBondContact CA-OE1 3.44Å; F699-E819 PolarHBondContact N-OE1 3.15Å
700T96.8Very high95.7Very high1 Ų127.2 Ų27.21%0.00614%0.137CC..Hα-helixtrans-64.1-45.6172.3-56.80000111.4I696 Q697 S698 L703 I704 F726I696-T700 WeakPolarHBondContact O-CB 3.35Å; I696-T700 PolarHBondContact O-N 3.41Å; I696-T700 PolarHBondContact O-OG1 2.89Å; Q697-T700 WeakPolarHBondContact O-CB 3.49Å; Q697-T700 PolarHBondContact O-N 3.22Å; S698-T700 VanDerWaalsContact C-N 3.27Å; S698-T700 PolarHBondContact O-N 3.03Å; T700-L703 WeakPolarHBondContact O-CB 3.43Å; T700-L703 PolarHBondContact O-N 3.11Å; T700-I704 HydrophobicContact CG2-CD1 4.09Å; T700-I704 VanDerWaalsContact O-CG1 3.29Å; T700-I704 WeakPolarHBondContact O-CG1 3.3Å; T700-I704 PolarHBondContact O-N 3.21Å; T700-F726 VanDerWaalsContact OG1-CZ 3.26Å; T700-F726 WeakPolarHBondContact OG1-CZ 3.49Å
701Q96.3Very high95.9Very high2 Ų225.9 Ų25.91%0.00913%0.129CC..Hα-helixtrans-66.2-41.1178.3-64.7-55.2-4600112.2Q697 S698 L703 I704 Q705 R810 L813 I814Q697-Q701 WeakPolarHBondContact O-CG 3.5Å; Q697-Q701 PolarHBondContact O-N 3.5Å; S698-Q701 PolarHBondContact O-N 3Å; S698-Q701 VanDerWaalsContact O-N 3.09Å; Q701-L703 VanDerWaalsContact C-N 3.29Å; Q701-L703 PolarHBondContact O-N 2.84Å; Q701-I704 PolarHBondContact O-N 3.26Å; Q701-Q705 WeakPolarHBondContact O-CB 3.41Å; Q701-Q705 PolarHBondContact O-N 3.44Å; Q701-R810 HydrophobicContact CG-CB 4.45Å; Q701-L813 HydrophobicContact CG-CB 4Å; Q701-L813 HydrophobicContact CG-CD1 4.4Å; Q701-I814 HydrophobicContact CB-CD1 4.12Å; Q701-I814 HydrophobicContact CB-CG1 3.57Å
702S96.9Very high96Very high13 Ų1327.1 Ų27.19%0.09114%0.137CC..Hα-helixtrans-58.4-39.7170.8-730000112.3S698 F706 K816 E819S698-S702 PolarHBondContact O-N 3.38Å; S698-S702 PolarHBondContact O-OG 2.92Å; S702-F706 WeakPolarHBondContact O-CB 3.31Å; S702-F706 PolarHBondContact O-N 2.99Å; S702-K816 PolarHBondContact OG-NZ 3.48Å; S702-E819 WeakPolarHBondContact CB-OE1 3.27Å; S702-E819 PolarHBondContact OG-OE1 2.77Å; S702-E819 PolarHBondContact OG-OE2 2.9Å
703L97Very high96.1Very high10 Ų1028.1 Ų28.15%0.05215%0.145CC..Hα-helixtrans-65.6-44.9174.2174.867.3000111.7F699 T700 Q701 Q705 F706 F707 R722 L723 F726 M765 L768F699-L703 WeakPolarHBondContact O-CB 3.24Å; F699-L703 PolarHBondContact O-N 2.96Å; T700-L703 WeakPolarHBondContact O-CB 3.43Å; T700-L703 PolarHBondContact O-N 3.11Å; Q701-L703 VanDerWaalsContact C-N 3.29Å; Q701-L703 PolarHBondContact O-N 2.84Å; L703-Q705 VanDerWaalsContact C-N 3.32Å; L703-Q705 PolarHBondContact O-N 2.68Å; L703-F706 PolarHBondContact O-N 2.62Å; L703-F707 WeakPolarHBondContact O-CB 3.39Å; L703-F707 PolarHBondContact O-N 3.01Å; L703-R722 HydrophobicContact CD1-CB 4.26Å; L703-L723 HydrophobicContact CD1-CD2 4.16Å; L703-L723 HydrophobicContact CD2-CD2 4.04Å; L703-L723 HydrophobicContact CG-CD2 4.42Å; L703-F726 HydrophobicContact CB-CD2 4.25Å; L703-F726 HydrophobicContact CD2-CB 3.86Å; L703-F726 HydrophobicContact CD2-CD1 4.15Å; L703-F726 HydrophobicContact CD2-CD2 3.47Å; L703-F726 VanDerWaalsContact CD2-CD2 3.47Å; L703-F726 HydrophobicContact CD2-CE2 4.04Å; L703-F726 HydrophobicContact CD2-CG 3.54Å; L703-F726 HydrophobicContact CG-CD2 4.4Å; L703-M765 HydrophobicContact CD2-SD 3.67Å; L703-L768 HydrophobicContact CD2-CD1 4.01Å; L703-L768 HydrophobicContact CG-CD1 4.18Å
704I97.2Very high96.1Very high3 Ų329.1 Ų29.12%0.01515%0.149CC..Hα-helixtrans-60.2-44.7177.7-65.1161.8000110.1T700 Q701 F707 K708 L768 P807 V809T700-I704 HydrophobicContact CG2-CD1 4.09Å; T700-I704 VanDerWaalsContact O-CG1 3.29Å; T700-I704 WeakPolarHBondContact O-CG1 3.3Å; T700-I704 PolarHBondContact O-N 3.21Å; Q701-I704 PolarHBondContact O-N 3.26Å; I704-F707 PolarHBondContact O-N 3.15Å; I704-K708 WeakPolarHBondContact O-CB 3.48Å; I704-K708 PolarHBondContact O-N 3.3Å; I704-L768 HydrophobicContact CG1-CD1 3.85Å; I704-L768 HydrophobicContact CG1-CD2 4.25Å; I704-L768 HydrophobicContact CG1-CG 4.44Å; I704-P807 HydrophobicContact CD1-CB 3.95Å; I704-P807 HydrophobicContact CD1-CG 3.83Å; I704-P807 HydrophobicContact CG1-CG 3.98Å; I704-P807 HydrophobicContact CG2-CG 4.24Å; I704-P807 VanDerWaalsContact CG2-O 3.31Å; I704-P807 WeakPolarHBondContact CG2-O 3.49Å; I704-V809 HydrophobicContact CB-CG2 4.32Å; I704-V809 HydrophobicContact CG2-CG2 3.74Å
705Q96.9Very high96Very high88 Ų8829 Ų2941%0.41115%0.146SC..Hα-helixtrans-60.2-48.5177.7-172.7-176.963.800111.4Q701 L703 A709 V809Q701-Q705 WeakPolarHBondContact O-CB 3.41Å; Q701-Q705 PolarHBondContact O-N 3.44Å; L703-Q705 VanDerWaalsContact C-N 3.32Å; L703-Q705 PolarHBondContact O-N 2.68Å; Q705-A709 PolarHBondContact O-N 3.19Å; Q705-V809 HydrophobicContact CB-CG1 4.09Å; Q705-V809 HydrophobicContact CB-CG2 3.86Å; Q705-V809 HydrophobicContact CG-CG2 4.44Å
706F97.3Very high95.7Very high38 Ų3829 Ų2917%0.16715%0.146CC..Hα-helixtrans-62.2-47.2176.3173.6-95.9000112S702 L703 K708 A709 E710 R722S702-F706 WeakPolarHBondContact O-CB 3.31Å; S702-F706 PolarHBondContact O-N 2.99Å; L703-F706 PolarHBondContact O-N 2.62Å; F706-K708 VanDerWaalsContact C-N 3.35Å; F706-K708 PolarHBondContact O-N 2.83Å; F706-A709 PolarHBondContact O-N 2.79Å; F706-E710 HydrophobicContact CD1-CG 4.23Å; F706-E710 HydrophobicContact CD2-CG 3.92Å; F706-E710 HydrophobicContact CE1-CG 3.85Å; F706-E710 HydrophobicContact CE2-CG 3.51Å; F706-E710 HydrophobicContact CG-CG 4.28Å; F706-E710 HydrophobicContact CZ-CG 3.49Å; F706-E710 VanDerWaalsContact CZ-CG 3.49Å; F706-E710 WeakPolarHBondContact O-CB 3.42Å; F706-E710 WeakPolarHBondContact O-CG 3.26Å; F706-E710 PolarHBondContact O-N 3.4Å; F706-R722 HydrophobicContact CD1-CB 4.25Å; F706-R722 HydrophobicContact CD1-CG 4.13Å; F706-R722 HydrophobicContact CE1-CB 3.84Å; F706-R722 HydrophobicContact CE1-CG 3.49Å; F706-R722 VanDerWaalsContact CE1-CG 3.49Å; F706-R722 HydrophobicContact CZ-CG 3.85Å; F706-R722 VanDerWaalsContact CZ-NE 3.27Å
707F96.8Very high95.2Very high3 Ų332.3 Ų32.31%0.01316%0.159CC..Hα-helixtrans-56.1-49.4-179.6176.2-85.9000111.2F71 L703 I704 E710 M711 V719 L723 L768 F772 L806F71-F707 AromaticContact CD2-CE1 3.8Å; F71-F707 HydrophobicContact CD2-CE1 3.8Å; F71-F707 HydrophobicContact CD2-CZ 4.26Å; F71-F707 HydrophobicContact CE2-CD1 4.39Å; F71-F707 AromaticContact CE2-CE1 3.76Å; F71-F707 HydrophobicContact CE2-CE1 3.76Å; L703-F707 WeakPolarHBondContact O-CB 3.39Å; L703-F707 PolarHBondContact O-N 3.01Å; I704-F707 PolarHBondContact O-N 3.15Å; F707-E710 PolarHBondContact O-N 3.2Å; F707-M711 HydrophobicContact CD1-CG 4.16Å; F707-M711 HydrophobicContact CD2-CG 4.35Å; F707-M711 HydrophobicContact CE1-CG 3.91Å; F707-M711 HydrophobicContact CE2-CG 4.12Å; F707-M711 HydrophobicContact CG-CG 4.38Å; F707-M711 HydrophobicContact CZ-CG 3.89Å; F707-M711 VanDerWaalsContact O-CB 3.28Å; F707-M711 WeakPolarHBondContact O-CB 3.4Å; F707-M711 VanDerWaalsContact O-CG 3.25Å; F707-M711 WeakPolarHBondContact O-CG 3.22Å; F707-M711 PolarHBondContact O-N 3.33Å; F707-V719 HydrophobicContact CD2-CG1 3.45Å; F707-V719 VanDerWaalsContact CD2-CG1 3.45Å; F707-V719 HydrophobicContact CE2-CG1 3.7Å; F707-V719 HydrophobicContact CG-CG1 4.49Å; F707-L723 HydrophobicContact CD2-CD1 4.18Å; F707-L723 HydrophobicContact CD2-CD2 4.31Å; F707-L723 HydrophobicContact CE2-CD1 4.07Å; F707-L768 HydrophobicContact CB-CD2 4.4Å; F707-L768 HydrophobicContact CD1-CD2 3.72Å; F707-L768 HydrophobicContact CD2-CD2 4.39Å; F707-L768 HydrophobicContact CE1-CD2 4.01Å; F707-L768 HydrophobicContact CE2-CB 4.49Å; F707-L768 WeakPolarHBondContact CE2-O 3.26Å; F707-L768 HydrophobicContact CG-CD2 3.93Å; F707-L768 HydrophobicContact CZ-CD2 4.46Å; F707-L768 WeakPolarHBondContact CZ-O 3.36Å; F707-F772 HydrophobicContact CE2-CD2 4.34Å; F707-F772 AromaticContact CE2-CE2 3.46Å; F707-F772 HydrophobicContact CE2-CE2 3.46Å; F707-F772 VanDerWaalsContact CE2-CE2 3.46Å; F707-F772 HydrophobicContact CE2-CZ 4.04Å; F707-F772 AromaticContact CZ-CE2 3.74Å; F707-F772 HydrophobicContact CZ-CE2 3.74Å; F707-L806 HydrophobicContact CE1-CD1 4Å; F707-L806 HydrophobicContact CE1-CD2 4.24Å
708K95.4Very high95Very high90 Ų9032.8 Ų32.839%0.39116%0.164SC..Hα-helixtrans-60-50.3179.2-173.9174.6-178.1178.30111.1I704 F706 E710 M711 D712I704-K708 WeakPolarHBondContact O-CB 3.48Å; I704-K708 PolarHBondContact O-N 3.3Å; F706-K708 VanDerWaalsContact C-N 3.35Å; F706-K708 PolarHBondContact O-N 2.83Å; K708-E710 VanDerWaalsContact C-N 3.33Å; K708-E710 PolarHBondContact O-N 2.89Å; K708-M711 PolarHBondContact O-N 3.3Å; K708-D712 VanDerWaalsContact O-CB 3.31Å; K708-D712 WeakPolarHBondContact O-CB 3.4Å; K708-D712 PolarHBondContact O-N 2.91Å
709A96.4Very high94.8Very high53 Ų5332.8 Ų32.844%0.43816%0.164SC..Hα-helixtrans-61.2-38.1-179.100000113.6Q705 F706 A713Q705-A709 PolarHBondContact O-N 3.19Å; F706-A709 PolarHBondContact O-N 2.79Å; A709-A713 WeakPolarHBondContact O-CB 3.48Å; A709-A713 PolarHBondContact O-N 3.12Å
710E95.9Very high94.4Very high19 Ų1930.5 Ų30.59%0.08915%0.154CC..Hα-helixtrans-78.7-37.2179.9-65.9-63.7129.700112.6F706 F707 K708 A713 Y714 R715 T718 V719F706-E710 HydrophobicContact CD1-CG 4.23Å; F706-E710 HydrophobicContact CD2-CG 3.92Å; F706-E710 HydrophobicContact CE1-CG 3.85Å; F706-E710 HydrophobicContact CE2-CG 3.51Å; F706-E710 HydrophobicContact CG-CG 4.28Å; F706-E710 HydrophobicContact CZ-CG 3.49Å; F706-E710 VanDerWaalsContact CZ-CG 3.49Å; F706-E710 WeakPolarHBondContact O-CB 3.42Å; F706-E710 WeakPolarHBondContact O-CG 3.26Å; F706-E710 PolarHBondContact O-N 3.4Å; F707-E710 PolarHBondContact O-N 3.2Å; K708-E710 VanDerWaalsContact C-N 3.33Å; K708-E710 PolarHBondContact O-N 2.89Å; E710-A713 CarbonylContact O-C 3.53Å; E710-A713 PolarHBondContact O-N 2.59Å; E710-Y714 PolarHBondContact O-N 2.83Å; E710-Y714 VanDerWaalsContact O-N 3.17Å; E710-R715 PolarHBondContact O-N 2.88Å; E710-R715 IonicContact OE1-CZ 3.51Å; E710-R715 IonicContact OE1-NE 3.84Å; E710-R715 IonicContact OE1-NH1 2.8Å; E710-R715 PolarHBondContact OE1-NH1 3.29Å; E710-R715 IonicContact OE1-NH2 3.76Å; E710-R715 PolarHBondContact OE1-NH2 2.81Å; E710-R715 WeakPolarHBondContact OE2-CB 3.15Å; E710-R715 IonicContact OE2-CZ 3.83Å; E710-R715 IonicContact OE2-NE 3.79Å; E710-R715 PolarHBondContact OE2-NE 3.12Å; E710-R715 IonicContact OE2-NH1 3.34Å; E710-R715 PolarHBondContact OE2-NH1 2.7Å; E710-R715 VanDerWaalsContact OE2-NH1 3.11Å; E710-R715 IonicContact OE2-NH2 3.75Å; E710-R715 PolarHBondContact OE2-NH2 2.79Å; E710-T718 VanDerWaalsContact CD-OG1 3.29Å; E710-T718 WeakPolarHBondContact CG-OG1 3.41Å; E710-T718 WeakPolarHBondContact OE2-CB 3.34Å; E710-T718 WeakPolarHBondContact OE2-CG2 3.23Å; E710-T718 PolarHBondContact OE2-OG1 2.93Å; E710-V719 HydrophobicContact CB-CG2 3.5Å; E710-V719 HydrophobicContact CG-CG2 4.45Å
711M95.7Very high94.1Very high5 Ų533.4 Ų33.43%0.02517%0.173CC..Hα-helixtrans-69.8-41176.4-72.6-61.2-68.800112.3I67 F71 F707 K708 A713 Y714 L716 V719 F772I67-M711 HydrophobicContact CG2-CE 3.79Å; F71-M711 HydrophobicContact CB-CE 3.74Å; F71-M711 HydrophobicContact CD1-CB 4.13Å; F71-M711 HydrophobicContact CD1-CE 4.16Å; F71-M711 HydrophobicContact CD2-CB 3.84Å; F71-M711 HydrophobicContact CD2-CE 3.97Å; F71-M711 HydrophobicContact CD2-CG 4.1Å; F71-M711 HydrophobicContact CE1-CB 3.74Å; F71-M711 HydrophobicContact CE2-CB 3.44Å; F71-M711 VanDerWaalsContact CE2-CB 3.44Å; F71-M711 HydrophobicContact CE2-CG 4.04Å; F71-M711 HydrophobicContact CG-CB 4.19Å; F71-M711 HydrophobicContact CG-CE 3.67Å; F71-M711 HydrophobicContact CZ-CB 3.39Å; F71-M711 HydrophobicContact CZ-CG 4.46Å; F707-M711 HydrophobicContact CD1-CG 4.16Å; F707-M711 HydrophobicContact CD2-CG 4.35Å; F707-M711 HydrophobicContact CE1-CG 3.91Å; F707-M711 HydrophobicContact CE2-CG 4.12Å; F707-M711 HydrophobicContact CG-CG 4.38Å; F707-M711 HydrophobicContact CZ-CG 3.89Å; F707-M711 VanDerWaalsContact O-CB 3.28Å; F707-M711 WeakPolarHBondContact O-CB 3.4Å; F707-M711 VanDerWaalsContact O-CG 3.25Å; F707-M711 WeakPolarHBondContact O-CG 3.22Å; F707-M711 PolarHBondContact O-N 3.33Å; K708-M711 PolarHBondContact O-N 3.3Å; M711-A713 PolarHBondContact O-N 3.39Å; M711-Y714 PolarHBondContact O-N 2.92Å; M711-L716 HydrophobicContact SD-CD1 4.3Å; M711-L716 HydrophobicContact SD-CG 4.28Å; M711-V719 HydrophobicContact CG-CG2 4.08Å; M711-V719 HydrophobicContact SD-CG1 4.47Å; M711-V719 HydrophobicContact SD-CG2 3.99Å; M711-F772 HydrophobicContact CE-CE2 4.4Å; M711-F772 HydrophobicContact CE-CZ 4.07Å; M711-F772 HydrophobicContact SD-CE2 4.42Å; M711-F772 HydrophobicContact SD-CZ 3.74Å
712D95.5Very high93.9Very high90 Ų9039.9 Ų39.948%0.48120%0.197SC..Hα-helixtrans-60.1-28.4172-72.8-18.9000111.6F71 K708F71-D712 WeakPolarHBondContact CZ-OD1 3.16Å; K708-D712 VanDerWaalsContact O-CB 3.31Å; K708-D712 WeakPolarHBondContact O-CB 3.4Å; K708-D712 PolarHBondContact O-N 2.91Å
713A95.6Very high93.7Very high20 Ų2039.4 Ų39.417%0.16519%0.193CC..THydrogen-bonded Turntrans-91.77.3175.100000114.1Y434 A709 E710 M711 R715Y434-A713 WeakPolarHBondContact CE1-O 3.42Å; Y434-A713 PolarHBondContact OH-O 3.47Å; A709-A713 WeakPolarHBondContact O-CB 3.48Å; A709-A713 PolarHBondContact O-N 3.12Å; E710-A713 CarbonylContact O-C 3.53Å; E710-A713 PolarHBondContact O-N 2.59Å; M711-A713 PolarHBondContact O-N 3.39Å; A713-R715 HydrophobicContact CB-CG 4.3Å; A713-R715 VanDerWaalsContact CB-NE 3.33Å; A713-R715 PolarHBondContact O-N 2.86Å
714Y95Very high93.3Very high24 Ų2440.7 Ų40.79%0.09420%0.201CC..THydrogen-bonded Turntrans58.623-179.1-59.2-94000114.7Y41 V68 Y434 F556 N586 I588 E710 M711 L716Y41-Y714 VanDerWaalsContact OH-CE1 3.3Å; Y41-Y714 WeakPolarHBondContact OH-CE1 3.23Å; Y41-Y714 PolarHBondContact OH-OH 2.98Å; V68-Y714 HydrophobicContact CG1-CD1 4.22Å; V68-Y714 HydrophobicContact CG1-CE1 3.84Å; Y434-Y714 HydrophobicContact CD1-CD2 4.37Å; Y434-Y714 HydrophobicContact CE1-CD2 4.31Å; F556-Y714 HydrophobicContact CB-CE1 4.06Å; F556-Y714 AromaticContact CD2-CD1 3.76Å; F556-Y714 HydrophobicContact CD2-CD1 3.76Å; F556-Y714 AromaticContact CD2-CE1 3.53Å; F556-Y714 HydrophobicContact CD2-CE1 3.53Å; F556-Y714 HydrophobicContact CE2-CD1 4.06Å; F556-Y714 HydrophobicContact CE2-CE1 4.24Å; F556-Y714 AromaticContact CG-CE1 3.96Å; F556-Y714 HydrophobicContact CG-CE1 3.96Å; N586-Y714 HydrophobicContact CB-CD1 4.45Å; N586-Y714 HydrophobicContact CB-CD2 4.02Å; N586-Y714 HydrophobicContact CB-CE1 4.09Å; N586-Y714 HydrophobicContact CB-CE2 3.62Å; N586-Y714 HydrophobicContact CB-CG 4.42Å; N586-Y714 PolarHBondContact ND2-OH 3.11Å; N586-Y714 WeakPolarHBondContact OD1-CE2 3.36Å; I588-Y714 HydrophobicContact CD1-CD1 4.13Å; I588-Y714 HydrophobicContact CG1-CD1 4.41Å; E710-Y714 PolarHBondContact O-N 2.83Å; E710-Y714 VanDerWaalsContact O-N 3.17Å; M711-Y714 PolarHBondContact O-N 2.92Å; Y714-L716 PolarHBondContact O-N 2.82Å
715R91.9Very high93Very high74 Ų7446.9 Ų46.928%0.27923%0.228SC..  trans-92.760.7-175.9-70.8-178.3-75.6148.98112.1E710 A713 Y717 T718E710-R715 PolarHBondContact O-N 2.88Å; E710-R715 IonicContact OE1-CZ 3.51Å; E710-R715 IonicContact OE1-NE 3.84Å; E710-R715 IonicContact OE1-NH1 2.8Å; E710-R715 PolarHBondContact OE1-NH1 3.29Å; E710-R715 IonicContact OE1-NH2 3.76Å; E710-R715 PolarHBondContact OE1-NH2 2.81Å; E710-R715 WeakPolarHBondContact OE2-CB 3.15Å; E710-R715 IonicContact OE2-CZ 3.83Å; E710-R715 IonicContact OE2-NE 3.79Å; E710-R715 PolarHBondContact OE2-NE 3.12Å; E710-R715 IonicContact OE2-NH1 3.34Å; E710-R715 PolarHBondContact OE2-NH1 2.7Å; E710-R715 VanDerWaalsContact OE2-NH1 3.11Å; E710-R715 IonicContact OE2-NH2 3.75Å; E710-R715 PolarHBondContact OE2-NH2 2.79Å; A713-R715 HydrophobicContact CB-CG 4.3Å; A713-R715 VanDerWaalsContact CB-NE 3.33Å; A713-R715 PolarHBondContact O-N 2.86Å; R715-Y717 HydrophobicContact CB-CD1 4.47Å; R715-Y717 HydrophobicContact CB-CE1 3.9Å; R715-Y717 HydrophobicContact CG-CE1 3.88Å; R715-Y717 PolarHBondContact O-N 2.82Å; R715-T718 HydrophobicContact CB-CG2 4.33Å; R715-T718 PolarHBondContact O-N 3.37Å; R715-T718 VanDerWaalsContact O-N 3.08Å; R715-T718 PolarHBondContact O-OG1 3.28Å
716L89.9Confident93Very high4 Ų442.8 Ų42.82%0.02121%0.209CC..Hα-helixtrans-54.8-31.6-177.7-78.365.4000113.5I64 I67 V68 I588 M711 Y714 T718 V719 V720I64-L716 HydrophobicContact CG1-CD2 4.46Å; I64-L716 HydrophobicContact CG2-CD2 4.17Å; I67-L716 HydrophobicContact CB-CD2 4.44Å; I67-L716 HydrophobicContact CD1-CD2 4.4Å; I67-L716 HydrophobicContact CG2-CD2 4.01Å; I67-L716 HydrophobicContact CG2-CG 4.47Å; V68-L716 HydrophobicContact CG2-CD1 4.16Å; V68-L716 HydrophobicContact CG2-CD2 4.5Å; I588-L716 HydrophobicContact CD1-CD1 3.62Å; M711-L716 HydrophobicContact SD-CD1 4.3Å; M711-L716 HydrophobicContact SD-CG 4.28Å; Y714-L716 PolarHBondContact O-N 2.82Å; L716-T718 PolarHBondContact O-N 3.48Å; L716-V719 PolarHBondContact O-N 2.93Å; L716-V720 PolarHBondContact O-N 3.15Å
717Y86.1Confident92.8Very high69 Ų6941.1 Ų41.127%0.27120%0.202SC..Hα-helixtrans-66.8-18.5-178.163.4-92.2000114.4V436 R634 R715 P721V436-Y717 HydrophobicContact CG1-CD1 4.42Å; V436-Y717 HydrophobicContact CG1-CE1 3.85Å; R634-Y717 HydrophobicContact CG-CD1 3.78Å; R634-Y717 HydrophobicContact CG-CD2 3.95Å; R634-Y717 HydrophobicContact CG-CE1 4.41Å; R634-Y717 HydrophobicContact CG-CG 3.53Å; R715-Y717 HydrophobicContact CB-CD1 4.47Å; R715-Y717 HydrophobicContact CB-CE1 3.9Å; R715-Y717 HydrophobicContact CG-CE1 3.88Å; R715-Y717 PolarHBondContact O-N 2.82Å; Y717-P721 WeakPolarHBondContact O-CD 3.3Å
718T90.2Very high92.6Very high32 Ų3243.8 Ų43.820%0.19622%0.217CC..Hα-helixtrans-93.4-26176.664.20000112E710 R715 L716E710-T718 VanDerWaalsContact CD-OG1 3.29Å; E710-T718 WeakPolarHBondContact CG-OG1 3.41Å; E710-T718 WeakPolarHBondContact OE2-CB 3.34Å; E710-T718 WeakPolarHBondContact OE2-CG2 3.23Å; E710-T718 PolarHBondContact OE2-OG1 2.93Å; R715-T718 HydrophobicContact CB-CG2 4.33Å; R715-T718 PolarHBondContact O-N 3.37Å; R715-T718 VanDerWaalsContact O-N 3.08Å; R715-T718 PolarHBondContact O-OG1 3.28Å; L716-T718 PolarHBondContact O-N 3.48Å
719V91.2Very high92.5Very high1 Ų140 Ų401%0.00620%0.2CC..Hα-helixtrans-73-52.2-173.9176.40000111.5F707 E710 M711 L716 R722 L723 F772F707-V719 HydrophobicContact CD2-CG1 3.45Å; F707-V719 VanDerWaalsContact CD2-CG1 3.45Å; F707-V719 HydrophobicContact CE2-CG1 3.7Å; F707-V719 HydrophobicContact CG-CG1 4.49Å; E710-V719 HydrophobicContact CB-CG2 3.5Å; E710-V719 HydrophobicContact CG-CG2 4.45Å; M711-V719 HydrophobicContact CG-CG2 4.08Å; M711-V719 HydrophobicContact SD-CG1 4.47Å; M711-V719 HydrophobicContact SD-CG2 3.99Å; L716-V719 PolarHBondContact O-N 2.93Å; V719-R722 PolarHBondContact O-N 3.16Å; V719-R722 VanDerWaalsContact O-N 3.12Å; V719-L723 HydrophobicContact CG1-CD1 3.58Å; V719-L723 HydrophobicContact CG1-CG 4.15Å; V719-L723 PolarHBondContact O-N 3.21Å; V719-F772 HydrophobicContact CG1-CE1 4.35Å; V719-F772 HydrophobicContact CG1-CE2 4.46Å; V719-F772 HydrophobicContact CG1-CZ 3.82Å
720V88.3Confident92.5Very high1 Ų137.4 Ų37.41%0.00618%0.179CC..Hα-helixtrans-61.6-45.2-171.5179.80000113L625 I628 N629 L716 R722 L723 V724 F772L625-V720 HydrophobicContact CD1-CG1 3.48Å; L625-V720 VanDerWaalsContact CD1-CG1 3.48Å; L625-V720 HydrophobicContact CG-CG1 4.35Å; I628-V720 HydrophobicContact CD1-CG2 4.01Å; I628-V720 HydrophobicContact CG1-CG2 3.93Å; N629-V720 HydrophobicContact CB-CB 4.48Å; N629-V720 HydrophobicContact CB-CG1 3.58Å; L716-V720 PolarHBondContact O-N 3.15Å; V720-R722 VanDerWaalsContact C-N 3.26Å; V720-R722 PolarHBondContact O-N 2.92Å; V720-L723 PolarHBondContact O-N 2.97Å; V720-V724 HydrophobicContact CG1-CG2 4.3Å; V720-V724 WeakPolarHBondContact O-CG2 3.37Å; V720-V724 PolarHBondContact O-N 3.44Å; V720-F772 HydrophobicContact CG2-CD1 3.81Å; V720-F772 HydrophobicContact CG2-CE1 3.62Å
721P90.4Very high92.4Very high62 Ų6237.3 Ų37.340%0.40318%0.18SC..Hα-helixtrans-58.6-36.5175.9-25.735.4000113.3Y717 K725Y717-P721 WeakPolarHBondContact O-CD 3.3Å; P721-K725 WeakPolarHBondContact O-CB 3.26Å; P721-K725 PolarHBondContact O-N 2.82Å
722R92.7Very high92.3Very high139 Ų13940.8 Ų40.853%0.52520%0.199SC..Hα-helixtrans-71.3-40.1177.5-70.1-137.1-169.9-156-0.4112.5L703 F706 V719 V720 K725 F726L703-R722 HydrophobicContact CD1-CB 4.26Å; F706-R722 HydrophobicContact CD1-CB 4.25Å; F706-R722 HydrophobicContact CD1-CG 4.13Å; F706-R722 HydrophobicContact CE1-CB 3.84Å; F706-R722 HydrophobicContact CE1-CG 3.49Å; F706-R722 VanDerWaalsContact CE1-CG 3.49Å; F706-R722 HydrophobicContact CZ-CG 3.85Å; F706-R722 VanDerWaalsContact CZ-NE 3.27Å; V719-R722 PolarHBondContact O-N 3.16Å; V719-R722 VanDerWaalsContact O-N 3.12Å; V720-R722 VanDerWaalsContact C-N 3.26Å; V720-R722 PolarHBondContact O-N 2.92Å; R722-K725 PolarHBondContact O-N 2.71Å; R722-F726 WeakPolarHBondContact O-CB 3.43Å; R722-F726 PolarHBondContact O-N 3.14Å
723L91.7Very high92.2Very high2 Ų236.7 Ų36.71%0.0118%0.177CC..Hα-helixtrans-62.4-44.1174.9-70.3170.1000111.4L703 F707 V719 V720 F726 V727 M765 L768 M769 F772L703-L723 HydrophobicContact CD1-CD2 4.16Å; L703-L723 HydrophobicContact CD2-CD2 4.04Å; L703-L723 HydrophobicContact CG-CD2 4.42Å; F707-L723 HydrophobicContact CD2-CD1 4.18Å; F707-L723 HydrophobicContact CD2-CD2 4.31Å; F707-L723 HydrophobicContact CE2-CD1 4.07Å; V719-L723 HydrophobicContact CG1-CD1 3.58Å; V719-L723 HydrophobicContact CG1-CG 4.15Å; V719-L723 PolarHBondContact O-N 3.21Å; V720-L723 PolarHBondContact O-N 2.97Å; L723-F726 WeakPolarHBondContact O-CB 3.24Å; L723-F726 PolarHBondContact O-N 2.93Å; L723-V727 PolarHBondContact O-N 2.79Å; L723-M765 HydrophobicContact CD2-CE 4.47Å; L723-L768 HydrophobicContact CD2-CB 4.37Å; L723-M769 HydrophobicContact CB-SD 3.89Å; L723-M769 HydrophobicContact CD1-SD 3.7Å; L723-M769 HydrophobicContact CD2-SD 4.26Å; L723-M769 HydrophobicContact CG-SD 4.17Å; L723-F772 HydrophobicContact CD1-CD2 4.43Å; L723-F772 HydrophobicContact CD1-CE2 4.4Å
724V89.5Confident92.2Very high37 Ų3735.8 Ų35.822%0.22417%0.169CC..Hα-helixtrans-63.6-45.7176.3172.10000111L625 V652 V720 F726 V727 D728L625-V724 HydrophobicContact CD2-CG2 4.49Å; V652-V724 HydrophobicContact CG1-CG2 4.27Å; V652-V724 HydrophobicContact CG2-CG1 3.72Å; V652-V724 HydrophobicContact CG2-CG2 4.16Å; V720-V724 HydrophobicContact CG1-CG2 4.3Å; V720-V724 WeakPolarHBondContact O-CG2 3.37Å; V720-V724 PolarHBondContact O-N 3.44Å; V724-F726 PolarHBondContact O-N 2.58Å; V724-V727 WeakPolarHBondContact O-CB 3.25Å; V724-V727 PolarHBondContact O-N 3.22Å; V724-D728 PolarHBondContact O-N 2.85Å
725K91.8Very high92.2Very high134 Ų13435.4 Ų35.458%0.58317%0.169SC*.Hα-helixtrans-60.2-36.1174.8-173.2176.8-178.6179.90111.7P721 R722 V727 D728 M729P721-K725 WeakPolarHBondContact O-CB 3.26Å; P721-K725 PolarHBondContact O-N 2.82Å; R722-K725 PolarHBondContact O-N 2.71Å; K725-V727 VanDerWaalsContact C-N 3.33Å; K725-V727 PolarHBondContact O-N 2.84Å; K725-D728 WeakPolarHBondContact O-CB 3.46Å; K725-D728 PolarHBondContact O-N 2.95Å; K725-M729 WeakPolarHBondContact O-CG 3.41Å; K725-M729 PolarHBondContact O-N 2.96Å
726F95.1Very high92.3Very high1 Ų137.1 Ų37.10%0.00418%0.176CC..Hα-helixtrans-63.8-37.7177.4-172.6-82.2000112.6I696 F699 T700 L703 R722 L723 V724 D728 M729 L730 V761 M765I696-F726 HydrophobicContact CD1-CE2 4.34Å; I696-F726 HydrophobicContact CD1-CZ 3.99Å; F699-F726 AromaticContact CD1-CD2 3.4Å; F699-F726 HydrophobicContact CD1-CD2 3.4Å; F699-F726 VanDerWaalsContact CD1-CD2 3.4Å; F699-F726 AromaticContact CD1-CE2 3.37Å; F699-F726 HydrophobicContact CD1-CE2 3.37Å; F699-F726 AromaticContact CE1-CD2 3.35Å; F699-F726 HydrophobicContact CE1-CD2 3.35Å; F699-F726 AromaticContact CE1-CE2 3.87Å; F699-F726 HydrophobicContact CE1-CE2 3.87Å; F699-F726 HydrophobicContact CE1-CG 4.27Å; F699-F726 HydrophobicContact CG-CD2 4.49Å; F699-F726 HydrophobicContact CG-CE2 4.27Å; F699-F726 HydrophobicContact CZ-CD2 4.44Å; T700-F726 VanDerWaalsContact OG1-CZ 3.26Å; T700-F726 WeakPolarHBondContact OG1-CZ 3.49Å; L703-F726 HydrophobicContact CB-CD2 4.25Å; L703-F726 HydrophobicContact CD2-CB 3.86Å; L703-F726 HydrophobicContact CD2-CD1 4.15Å; L703-F726 HydrophobicContact CD2-CD2 3.47Å; L703-F726 VanDerWaalsContact CD2-CD2 3.47Å; L703-F726 HydrophobicContact CD2-CE2 4.04Å; L703-F726 HydrophobicContact CD2-CG 3.54Å; L703-F726 HydrophobicContact CG-CD2 4.4Å; R722-F726 WeakPolarHBondContact O-CB 3.43Å; R722-F726 PolarHBondContact O-N 3.14Å; L723-F726 WeakPolarHBondContact O-CB 3.24Å; L723-F726 PolarHBondContact O-N 2.93Å; V724-F726 PolarHBondContact O-N 2.58Å; F726-D728 PolarHBondContact O-N 3.47Å; F726-M729 PolarHBondContact O-N 3.4Å; F726-M729 VanDerWaalsContact O-N 3.16Å; F726-L730 HydrophobicContact CE1-CB 4.25Å; F726-L730 WeakPolarHBondContact O-CB 3.29Å; F726-L730 PolarHBondContact O-N 3.17Å; F726-V761 HydrophobicContact CE1-CG1 3.65Å; F726-V761 HydrophobicContact CZ-CG1 3.65Å; F726-M765 HydrophobicContact CB-CE 4.39Å; F726-M765 HydrophobicContact CD1-CE 3.64Å; F726-M765 HydrophobicContact CD1-CG 3.76Å; F726-M765 HydrophobicContact CD1-SD 3.27Å; F726-M765 WeakPolarHBondContact CD1-SD 3.16Å; F726-M765 HydrophobicContact CE1-CE 4.39Å; F726-M765 HydrophobicContact CE1-CG 3.51Å; F726-M765 HydrophobicContact CE1-SD 3.6Å; F726-M765 VanDerWaalsContact CE1-SD 3.6Å; F726-M765 HydrophobicContact CG-CE 4.35Å; F726-M765 HydrophobicContact CG-SD 3.97Å; F726-M765 HydrophobicContact CZ-CG 4.48Å; F726-M765 HydrophobicContact CZ-SD 4.49Å
727V93.9Very high92.3Very high3 Ų338 Ų382%0.01818%0.181CC..Hα-helixtrans-59.2-39.9174.2173.70000111.1V652 P655 W656 L723 V724 K725 L730 T731 M765V652-V727 HydrophobicContact CG1-CG2 4.26Å; P655-V727 HydrophobicContact CB-CG1 4.3Å; W656-V727 HydrophobicContact CB-CG1 3.82Å; W656-V727 HydrophobicContact CB-CG2 4.43Å; W656-V727 HydrophobicContact CG-CG2 4.46Å; L723-V727 PolarHBondContact O-N 2.79Å; V724-V727 WeakPolarHBondContact O-CB 3.25Å; V724-V727 PolarHBondContact O-N 3.22Å; K725-V727 VanDerWaalsContact C-N 3.33Å; K725-V727 PolarHBondContact O-N 2.84Å; V727-L730 PolarHBondContact O-N 3.31Å; V727-T731 HydrophobicContact CG1-CG2 4.28Å; V727-T731 WeakPolarHBondContact O-CB 3.44Å; V727-T731 VanDerWaalsContact O-CG2 3.25Å; V727-T731 WeakPolarHBondContact O-CG2 3.26Å; V727-T731 PolarHBondContact O-N 3.21Å; V727-T731 PolarHBondContact O-OG1 3.01Å; V727-M765 HydrophobicContact CG2-CE 4.01Å
728D92.4Very high92.6Very high60 Ų6034.7 Ų34.732%0.32117%0.168SC..Hα-helixtrans-63.7-46.4173.7179.770.1000111.7V724 K725 F726 L730 T731 N732V724-D728 PolarHBondContact O-N 2.85Å; K725-D728 WeakPolarHBondContact O-CB 3.46Å; K725-D728 PolarHBondContact O-N 2.95Å; F726-D728 PolarHBondContact O-N 3.47Å; D728-L730 VanDerWaalsContact C-N 3.33Å; D728-L730 PolarHBondContact O-N 3.33Å; D728-T731 PolarHBondContact O-N 3.27Å; D728-T731 PolarHBondContact O-OG1 3.25Å; D728-N732 WeakPolarHBondContact O-CB 3.35Å; D728-N732 PolarHBondContact O-N 3.47Å; D728-N732 PolarHBondContact OD1-ND2 3.07Å
729M94.2Very high92.7Very high9 Ų939.8 Ų39.84%0.04418%0.184CC..Iπ-helixtrans-58.3-42.7175.6-63.1-62.5101.800112.5W695 F699 K725 F726 W733 Y734 Q826W695-M729 HydrophobicContact CH2-CB 4.1Å; W695-M729 HydrophobicContact CZ2-SD 4.44Å; F699-M729 HydrophobicContact CD1-CB 4.29Å; F699-M729 HydrophobicContact CD1-CG 4.43Å; F699-M729 HydrophobicContact CE1-CB 3.83Å; F699-M729 HydrophobicContact CE1-CG 3.59Å; F699-M729 HydrophobicContact CZ-CG 4.06Å; K725-M729 WeakPolarHBondContact O-CG 3.41Å; K725-M729 PolarHBondContact O-N 2.96Å; F726-M729 PolarHBondContact O-N 3.4Å; F726-M729 VanDerWaalsContact O-N 3.16Å; M729-W733 WeakPolarHBondContact O-CB 3.43Å; M729-W733 PolarHBondContact O-N 2.93Å; M729-Y734 PolarHBondContact O-N 2.72Å; M729-Y734 VanDerWaalsContact O-N 3.09Å; M729-Q826 PolarHBondContact SD-NE2 3.32Å
730L95.7Very high92.6Very high0 Ų047.4 Ų47.40%021%0.212CC..Iπ-helixtrans-66.1-46.4177.9175.360.5000111.9F726 V727 D728 Y734 V735 L758 V761 L762F726-L730 HydrophobicContact CE1-CB 4.25Å; F726-L730 WeakPolarHBondContact O-CB 3.29Å; F726-L730 PolarHBondContact O-N 3.17Å; V727-L730 PolarHBondContact O-N 3.31Å; D728-L730 VanDerWaalsContact C-N 3.33Å; D728-L730 PolarHBondContact O-N 3.33Å; L730-Y734 HydrophobicContact CD1-CD1 3.98Å; L730-Y734 WeakPolarHBondContact O-CB 3.47Å; L730-V735 HydrophobicContact CD1-CG2 4.34Å; L730-V735 WeakPolarHBondContact O-CG2 3.43Å; L730-V735 PolarHBondContact O-N 3.27Å; L730-L758 HydrophobicContact CD1-CD1 3.89Å; L730-V761 HydrophobicContact CD1-CG1 3.85Å; L730-V761 HydrophobicContact CD2-CG1 4.26Å; L730-L762 HydrophobicContact CD2-CD2 3.78Å; L730-L762 HydrophobicContact CD2-CG 4.35Å
731T94.3Very high92.8Very high17 Ų1748.3 Ų48.310%0.10422%0.216CC..Iπ-helixtrans-84.1-52.9-17056.20000112.4P655 A659 V727 D728 R736P655-T731 HydrophobicContact CB-CG2 3.96Å; P655-T731 VanDerWaalsContact O-CG2 3.3Å; P655-T731 WeakPolarHBondContact O-CG2 3.25Å; A659-T731 HydrophobicContact CB-CG2 3.99Å; V727-T731 HydrophobicContact CG1-CG2 4.28Å; V727-T731 WeakPolarHBondContact O-CB 3.44Å; V727-T731 VanDerWaalsContact O-CG2 3.25Å; V727-T731 WeakPolarHBondContact O-CG2 3.26Å; V727-T731 PolarHBondContact O-N 3.21Å; V727-T731 PolarHBondContact O-OG1 3.01Å; D728-T731 PolarHBondContact O-N 3.27Å; D728-T731 PolarHBondContact O-OG1 3.25Å; T731-R736 PolarHBondContact O-N 3.27Å
732N92.2Very high92.9Very high78 Ų7845.4 Ų45.442%0.41720%0.197SC..Iπ-helixtrans-84.3-16.7-171.6-74.3-33.3000113.6D728 R736D728-N732 WeakPolarHBondContact O-CB 3.35Å; D728-N732 PolarHBondContact O-N 3.47Å; D728-N732 PolarHBondContact OD1-ND2 3.07Å; N732-R736 WeakPolarHBondContact O-CB 3.31Å; N732-R736 WeakPolarHBondContact O-CD 3.39Å
733W94.3Very high92.8Very high4 Ų442.3 Ų42.32%0.01519%0.187CC..Iπ-helixtrans-114.1-63.2177.6-60.595.9000112.1W695 M729 T737 M825 Q826 I829 E830W695-W733 HydrophobicContact CH2-CB 4.12Å; W695-W733 HydrophobicContact CZ3-CB 4.38Å; M729-W733 WeakPolarHBondContact O-CB 3.43Å; M729-W733 PolarHBondContact O-N 2.93Å; W733-T737 WeakPolarHBondContact O-CB 3.49Å; W733-T737 WeakPolarHBondContact O-CG2 3.37Å; W733-T737 PolarHBondContact O-N 2.77Å; W733-T737 VanDerWaalsContact O-N 3.08Å; W733-T737 PolarHBondContact O-OG1 3.22Å; W733-M825 HydrophobicContact CE3-CE 4.39Å; W733-Q826 VanDerWaalsContact CD1-NE2 3.3Å; W733-Q826 HydrophobicContact CD2-CG 3.72Å; W733-Q826 HydrophobicContact CE3-CG 3.76Å; W733-Q826 HydrophobicContact CG-CG 4.42Å; W733-Q826 HydrophobicContact CH2-CB 3.87Å; W733-Q826 HydrophobicContact CH2-CG 3.75Å; W733-Q826 HydrophobicContact CZ2-CB 3.9Å; W733-Q826 HydrophobicContact CZ2-CG 3.73Å; W733-Q826 HydrophobicContact CZ3-CB 4.32Å; W733-Q826 HydrophobicContact CZ3-CG 3.78Å; W733-I829 HydrophobicContact CH2-CB 3.98Å; W733-I829 HydrophobicContact CH2-CD1 4.45Å; W733-I829 HydrophobicContact CH2-CG2 3.83Å; W733-I829 HydrophobicContact CZ3-CB 4.16Å; W733-I829 HydrophobicContact CZ3-CD1 3.77Å; W733-I829 HydrophobicContact CZ3-CG2 4Å; W733-E830 HydrophobicContact CH2-CG 4.33Å; W733-E830 HydrophobicContact CZ2-CG 4.14Å
734Y95.9Very high92.5Very high0 Ų043.1 Ų43.10%020%0.196CC..Iπ-helixtrans-65.4-59.7-175.4179.1-101.7000112.9M692 D693 I696 M729 L730 R736 T737 N738 A754 T757 L758M692-Y734 HydrophobicContact CB-CD2 4.37Å; D693-Y734 WeakPolarHBondContact OD1-CE2 3.35Å; D693-Y734 PolarHBondContact OD1-OH 3.2Å; D693-Y734 VanDerWaalsContact OD1-OH 3.12Å; I696-Y734 HydrophobicContact CB-CD2 3.76Å; I696-Y734 HydrophobicContact CB-CE2 4.21Å; I696-Y734 HydrophobicContact CB-CG 4.11Å; I696-Y734 HydrophobicContact CG1-CD2 4.27Å; I696-Y734 HydrophobicContact CG1-CG 4.1Å; I696-Y734 HydrophobicContact CG2-CD2 3.56Å; I696-Y734 HydrophobicContact CG2-CE1 4.45Å; I696-Y734 HydrophobicContact CG2-CE2 3.47Å; I696-Y734 VanDerWaalsContact CG2-CE2 3.47Å; I696-Y734 HydrophobicContact CG2-CG 4.12Å; M729-Y734 PolarHBondContact O-N 2.72Å; M729-Y734 VanDerWaalsContact O-N 3.09Å; L730-Y734 HydrophobicContact CD1-CD1 3.98Å; L730-Y734 WeakPolarHBondContact O-CB 3.47Å; Y734-R736 VanDerWaalsContact C-N 3.32Å; Y734-R736 PolarHBondContact O-N 2.84Å; Y734-T737 PolarHBondContact O-N 2.86Å; Y734-T737 PolarHBondContact O-OG1 3.39Å; Y734-N738 WeakPolarHBondContact O-CB 3.32Å; Y734-N738 PolarHBondContact O-N 3.28Å; Y734-N738 PolarHBondContact O-ND2 2.88Å; Y734-A754 PolarHBondContact OH-O 2.83Å; Y734-T757 HydrophobicContact CE2-CG2 4.33Å; Y734-T757 WeakPolarHBondContact OH-CB 3.31Å; Y734-T757 VanDerWaalsContact OH-CG2 3.26Å; Y734-T757 WeakPolarHBondContact OH-CG2 3.47Å; Y734-L758 HydrophobicContact CD1-CD1 4.37Å; Y734-L758 HydrophobicContact CE1-CB 4.15Å; Y734-L758 HydrophobicContact CE1-CD1 4.15Å
735V95.4Very high92.4Very high17 Ų1746.5 Ų46.510%0.10321%0.21CC..Iπ-helixtrans-63.8-38.8-176.8172.30000111.2A659 F662 L730 R739 L758A659-V735 HydrophobicContact CB-CG2 4.29Å; F662-V735 HydrophobicContact CD1-CG1 3.87Å; F662-V735 HydrophobicContact CE1-CG1 4.18Å; L730-V735 HydrophobicContact CD1-CG2 4.34Å; L730-V735 WeakPolarHBondContact O-CG2 3.43Å; L730-V735 PolarHBondContact O-N 3.27Å; V735-R739 PolarHBondContact O-N 3.19Å; V735-R739 VanDerWaalsContact O-N 3.11Å; V735-L758 HydrophobicContact CG2-CD1 3.82Å; V735-L758 HydrophobicContact CG2-CD2 4.45Å
736R92.4Very high92Very high110 Ų11043.4 Ų43.442%0.41521%0.205SC..Hα-helixtrans-60.5-53.7178.4-178.2-179.6171.8150-3.9112.1T731 N732 Y734 N738 R833 E873T731-R736 PolarHBondContact O-N 3.27Å; N732-R736 WeakPolarHBondContact O-CB 3.31Å; N732-R736 WeakPolarHBondContact O-CD 3.39Å; Y734-R736 VanDerWaalsContact C-N 3.32Å; Y734-R736 PolarHBondContact O-N 2.84Å; R736-N738 VanDerWaalsContact C-N 3.34Å; R736-N738 PolarHBondContact O-N 3.19Å; R736-R833 VanDerWaalsContact CZ-NH2 3.32Å; R736-E873 IonicContact CZ-OE1 2.81Å; R736-E873 IonicContact CZ-OE2 3.96Å; R736-E873 VanDerWaalsContact NE-CD 3.35Å; R736-E873 IonicContact NE-OE1 2.87Å; R736-E873 PolarHBondContact NE-OE1 2.92Å; R736-E873 IonicContact NE-OE2 3.5Å; R736-E873 PolarHBondContact NE-OE2 3.34Å; R736-E873 IonicContact NH2-OE1 3.26Å; R736-E873 IonicContact NH2-OE2 2.68Å; R736-E873 PolarHBondContact NH2-OE2 2.82Å
737T91.2Very high91.6Very high22 Ų2245 Ų4514%0.13522%0.222CC..Hα-helixtrans-74.7-23.6-175.757.80000113W733 Y734 Y869 E873W733-T737 WeakPolarHBondContact O-CB 3.49Å; W733-T737 WeakPolarHBondContact O-CG2 3.37Å; W733-T737 PolarHBondContact O-N 2.77Å; W733-T737 VanDerWaalsContact O-N 3.08Å; W733-T737 PolarHBondContact O-OG1 3.22Å; Y734-T737 PolarHBondContact O-N 2.86Å; Y734-T737 PolarHBondContact O-OG1 3.39Å; T737-Y869 HydrophobicContact CG2-CD1 4.18Å; T737-E873 HydrophobicContact CG2-CG 4.29Å
738N92.8Very high91.3Very high0 Ų047.2 Ų47.20%024%0.235CC..THydrogen-bonded Turntrans-100.910.1179-65.9-76.5000113.8M692 Y734 R736 R740 R741 L742M692-N738 WeakPolarHBondContact CB-ND2 3.36Å; Y734-N738 WeakPolarHBondContact O-CB 3.32Å; Y734-N738 PolarHBondContact O-N 3.28Å; Y734-N738 PolarHBondContact O-ND2 2.88Å; R736-N738 VanDerWaalsContact C-N 3.34Å; R736-N738 PolarHBondContact O-N 3.19Å; N738-R740 VanDerWaalsContact C-N 3.27Å; N738-R740 PolarHBondContact O-N 3.34Å; N738-R741 WeakPolarHBondContact O-CB 3.27Å; N738-R741 PolarHBondContact O-N 2.75Å; N738-R741 VanDerWaalsContact O-N 3.12Å; N738-R741 WeakPolarHBondContact OD1-CD 3.11Å; N738-R741 PolarHBondContact OD1-NH1 3.27Å; N738-L742 HydrophobicContact CB-CD1 4.14Å; N738-L742 HydrophobicContact CB-CG 4.5Å; N738-L742 WeakPolarHBondContact O-CG 3.21Å; N738-L742 PolarHBondContact O-N 2.58Å
739R91.6Very high91.1Very high139 Ų13950 Ų5053%0.52525%0.246SC..Hα-helixtrans-57.5-36.9-174.3-163.6179.1-170.6-173.52.6113.7F662 V735 K743F662-R739 HydrophobicContact CE1-CG 4.42Å; F662-R739 HydrophobicContact CE2-CG 4.12Å; F662-R739 HydrophobicContact CZ-CG 3.63Å; V735-R739 PolarHBondContact O-N 3.19Å; V735-R739 VanDerWaalsContact O-N 3.11Å; R739-K743 WeakPolarHBondContact O-CB 3.26Å; R739-K743 VanDerWaalsContact O-CG 3.25Å; R739-K743 WeakPolarHBondContact O-CG 3.38Å; R739-K743 PolarHBondContact O-N 3.46Å
740R89.6Confident90.9Very high161 Ų16151.2 Ų51.261%0.60825%0.253SS*.Hα-helixtrans-67.9-45.4177.8-65.5-169.6176.6158.4-2.1111.5N738 K743 G744 E745N738-R740 VanDerWaalsContact C-N 3.27Å; N738-R740 PolarHBondContact O-N 3.34Å; R740-K743 PolarHBondContact O-N 3.44Å; R740-G744 PolarHBondContact O-N 3.18Å; R740-E745 HydrophobicContact CB-CB 4.26Å; R740-E745 WeakPolarHBondContact CB-OE2 3.43Å; R740-E745 VanDerWaalsContact CG-OE2 3.25Å; R740-E745 WeakPolarHBondContact CG-OE2 3.39Å; R740-E745 WeakPolarHBondContact O-CB 3.32Å; R740-E745 PolarHBondContact O-N 3.32Å; R740-E745 VanDerWaalsContact O-N 3.11Å
741R92.6Very high90.7Very high20 Ų2051.2 Ų51.28%0.07525%0.253CS..Hα-helixtrans-59.1-49.6175.9-63.4178.160.6-136-2.4111.2N690 D693 N738 K743 G744 D750 C751 A754N690-R741 VanDerWaalsContact CG-CZ 3.44Å; N690-R741 PolarHBondContact ND2-NH1 2.68Å; N690-R741 PolarHBondContact OD1-NH1 3.34Å; D693-R741 IonicContact OD1-CZ 3.11Å; D693-R741 IonicContact OD1-NH1 3.83Å; D693-R741 PolarHBondContact OD1-NH1 3.13Å; D693-R741 IonicContact OD1-NH2 2.73Å; D693-R741 IonicContact OD2-CZ 3.31Å; D693-R741 IonicContact OD2-NH1 2.95Å; D693-R741 PolarHBondContact OD2-NH1 2.7Å; D693-R741 IonicContact OD2-NH2 3.95Å; D693-R741 PolarHBondContact OD2-NH2 3.45Å; N738-R741 WeakPolarHBondContact O-CB 3.27Å; N738-R741 PolarHBondContact O-N 2.75Å; N738-R741 VanDerWaalsContact O-N 3.12Å; N738-R741 WeakPolarHBondContact OD1-CD 3.11Å; N738-R741 PolarHBondContact OD1-NH1 3.27Å; R741-K743 PolarHBondContact O-N 3.12Å; R741-K743 VanDerWaalsContact O-N 3.14Å; R741-G744 PolarHBondContact O-N 3.39Å; R741-D750 WeakPolarHBondContact CB-OD2 3.46Å; R741-D750 WeakPolarHBondContact CG-OD2 3.35Å; R741-D750 IonicContact CZ-OD1 3.05Å; R741-D750 IonicContact CZ-OD2 3.24Å; R741-D750 IonicContact NE-OD1 2.96Å; R741-D750 PolarHBondContact NE-OD1 3.5Å; R741-D750 VanDerWaalsContact NE-OD1 3.11Å; R741-D750 IonicContact NE-OD2 3.9Å; R741-D750 PolarHBondContact NE-OD2 3.02Å; R741-D750 IonicContact NH2-OD1 2.71Å; R741-D750 PolarHBondContact NH2-OD1 2.93Å; R741-D750 IonicContact NH2-OD2 3.05Å; R741-C751 WeakPolarHBondContact O-CA 3.47Å; R741-C751 WeakPolarHBondContact O-CB 3.47Å; R741-A754 HydrophobicContact CB-CB 4.34Å
742L91.9Very high90.6Very high0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-62.8-20.7178.7-70.2162.1000113.9F662 N666 N738 A754 L755 L758F662-L742 HydrophobicContact CD1-CD1 4.35Å; F662-L742 HydrophobicContact CE1-CB 3.62Å; F662-L742 HydrophobicContact CE1-CD1 3.7Å; F662-L742 HydrophobicContact CE1-CG 4.23Å; F662-L742 HydrophobicContact CZ-CB 4.11Å; N666-L742 WeakPolarHBondContact CB-O 3.19Å; N666-L742 VanDerWaalsContact CG-O 3.22Å; N666-L742 PolarHBondContact OD1-O 2.92Å; N738-L742 HydrophobicContact CB-CD1 4.14Å; N738-L742 HydrophobicContact CB-CG 4.5Å; N738-L742 WeakPolarHBondContact O-CG 3.21Å; N738-L742 PolarHBondContact O-N 2.58Å; L742-A754 HydrophobicContact CD2-CB 3.7Å; L742-A754 WeakPolarHBondContact CD2-O 3.37Å; L742-A754 HydrophobicContact CG-CB 4.1Å; L742-L755 HydrophobicContact CD2-CD2 3.86Å; L742-L755 HydrophobicContact CD2-CG 4.25Å; L742-L758 HydrophobicContact CD1-CD2 4.18Å; L742-L758 HydrophobicContact CD2-CB 4.24Å; L742-L758 HydrophobicContact CD2-CD2 3.96Å
743K90.4Very high90.5Very high74 Ų7451.8 Ų51.832%0.32225%0.25SS..THydrogen-bonded Turntrans-90.8-2.2175.2-77.2176175.5-173.10114F662 R669 R739 R740 R741 E745F662-K743 HydrophobicContact CZ-CG 4.25Å; R669-K743 PolarHBondContact NE-O 3.5Å; R669-K743 VanDerWaalsContact NH2-C 3.32Å; R669-K743 PolarHBondContact NH2-O 3.44Å; R739-K743 WeakPolarHBondContact O-CB 3.26Å; R739-K743 VanDerWaalsContact O-CG 3.25Å; R739-K743 WeakPolarHBondContact O-CG 3.38Å; R739-K743 PolarHBondContact O-N 3.46Å; R740-K743 PolarHBondContact O-N 3.44Å; R741-K743 PolarHBondContact O-N 3.12Å; R741-K743 VanDerWaalsContact O-N 3.14Å; K743-E745 HydrophobicContact CB-CG 4.23Å; K743-E745 WeakPolarHBondContact CD-OE1 3.38Å
744G86.4Confident90.5Very high20 Ų2051.6 Ų51.621%0.20625%0.249CC..THydrogen-bonded Turntrans83.45.1-176.900000115.2R740 R741 S746 G747R740-G744 PolarHBondContact O-N 3.18Å; R741-G744 PolarHBondContact O-N 3.39Å; G744-S746 PolarHBondContact O-N 3.25Å; G744-G747 PolarHBondContact O-N 3.39Å; G744-G747 VanDerWaalsContact O-N 3.15Å
745E85.6Confident90.4Very high108 Ų10851.6 Ų51.651%0.50525%0.249SC..THydrogen-bonded Turntrans-68.2-15.9-179.2-61.6174.4-162.300112.6R740 K743R740-E745 HydrophobicContact CB-CB 4.26Å; R740-E745 WeakPolarHBondContact CB-OE2 3.43Å; R740-E745 VanDerWaalsContact CG-OE2 3.25Å; R740-E745 WeakPolarHBondContact CG-OE2 3.39Å; R740-E745 WeakPolarHBondContact O-CB 3.32Å; R740-E745 PolarHBondContact O-N 3.32Å; R740-E745 VanDerWaalsContact O-N 3.11Å; K743-E745 HydrophobicContact CB-CG 4.23Å; K743-E745 WeakPolarHBondContact CD-OE1 3.38Å
746S83.9Confident90.3Very high69 Ų6952.8 Ų52.848%0.48325%0.254SS..THydrogen-bonded Turntrans-1028.2177.8-56.20000113.6G744 D750G744-S746 PolarHBondContact O-N 3.25Å; S746-D750 WeakPolarHBondContact CB-OD2 3.17Å
747G86.8Confident90.5Very high35 Ų3548 Ų4836%0.36124%0.237SC..  trans104.2156.9-176.700000113.4G744 C751G744-G747 PolarHBondContact O-N 3.39Å; G744-G747 VanDerWaalsContact O-N 3.15Å; G747-C751 WeakPolarHBondContact O-CB 3.33Å; G747-C751 PolarHBondContact O-N 3.48Å; G747-C751 VanDerWaalsContact O-N 3.09Å
748T87.9Confident90.7Very high49 Ų4947 Ų4730%0.30123%0.23SC..Hα-helixtrans-67.7-38.8-171.6-48.50000113.1L670 E674 I676 C751 L752L670-T748 HydrophobicContact CD1-CG2 4.1Å; E674-T748 HydrophobicContact CG-CG2 4.26Å; E674-T748 PolarHBondContact OE2-OG1 2.96Å; I676-T748 HydrophobicContact CD1-CG2 3.49Å; I676-T748 VanDerWaalsContact CD1-CG2 3.49Å; T748-C751 WeakPolarHBondContact O-CB 3.37Å; T748-C751 PolarHBondContact O-N 3.42Å; T748-L752 WeakPolarHBondContact O-CG 3.19Å; T748-L752 PolarHBondContact O-N 2.82Å
749E88.4Confident90.8Very high119 Ų11947 Ų4756%0.55623%0.23SC*.Hα-helixtrans-67.4-47.9179.5-174.2173.7-152.700112.3C751 L752 W753E749-C751 VanDerWaalsContact C-N 3.27Å; E749-C751 PolarHBondContact O-N 2.85Å; E749-L752 WeakPolarHBondContact O-CB 3.5Å; E749-L752 PolarHBondContact O-N 3.27Å; E749-L752 VanDerWaalsContact O-N 3.12Å; E749-W753 VanDerWaalsContact CD-CZ2 3.48Å; E749-W753 HydrophobicContact CG-CD2 4.34Å; E749-W753 HydrophobicContact CG-CH2 3.85Å; E749-W753 HydrophobicContact CG-CZ2 3.49Å; E749-W753 VanDerWaalsContact CG-CZ2 3.49Å; E749-W753 HydrophobicContact CG-CZ3 4.4Å; E749-W753 PolarHBondContact O-N 2.77Å; E749-W753 VanDerWaalsContact O-N 3.12Å; E749-W753 VanDerWaalsContact OE1-CZ2 3.24Å; E749-W753 WeakPolarHBondContact OE1-CZ2 3.41Å
750D90.2Very high91Very high33 Ų3340.4 Ų40.418%0.17621%0.206CC..Hα-helixtrans-63.2-35.6175.9-177.159.2000111.9R741 S746 W753 A754R741-D750 WeakPolarHBondContact CB-OD2 3.46Å; R741-D750 WeakPolarHBondContact CG-OD2 3.35Å; R741-D750 IonicContact CZ-OD1 3.05Å; R741-D750 IonicContact CZ-OD2 3.24Å; R741-D750 IonicContact NE-OD1 2.96Å; R741-D750 PolarHBondContact NE-OD1 3.5Å; R741-D750 VanDerWaalsContact NE-OD1 3.11Å; R741-D750 IonicContact NE-OD2 3.9Å; R741-D750 PolarHBondContact NE-OD2 3.02Å; R741-D750 IonicContact NH2-OD1 2.71Å; R741-D750 PolarHBondContact NH2-OD1 2.93Å; R741-D750 IonicContact NH2-OD2 3.05Å; S746-D750 WeakPolarHBondContact CB-OD2 3.17Å; D750-W753 PolarHBondContact O-N 2.87Å; D750-A754 WeakPolarHBondContact O-CB 3.35Å; D750-A754 PolarHBondContact O-N 3.26Å
751C91.7Very high91.3Very high0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-61.2-43.1172.9-172.60000111.9R741 G747 T748 E749 A754 L755R741-C751 WeakPolarHBondContact O-CA 3.47Å; R741-C751 WeakPolarHBondContact O-CB 3.47Å; G747-C751 WeakPolarHBondContact O-CB 3.33Å; G747-C751 PolarHBondContact O-N 3.48Å; G747-C751 VanDerWaalsContact O-N 3.09Å; T748-C751 WeakPolarHBondContact O-CB 3.37Å; T748-C751 PolarHBondContact O-N 3.42Å; E749-C751 VanDerWaalsContact C-N 3.27Å; E749-C751 PolarHBondContact O-N 2.85Å; C751-A754 PolarHBondContact O-N 3.31Å; C751-L755 WeakPolarHBondContact O-CB 3.43Å; C751-L755 WeakPolarHBondContact O-CG 3.38Å; C751-L755 PolarHBondContact O-N 2.87Å
752L90.9Very high91.5Very high41 Ų4131.9 Ų31.922%0.21517%0.174CC..Hα-helixtrans-60.9-49.4176.9-80.9167.6000111.1L670 I676 F678 T748 E749 A754 L755 E756L670-L752 HydrophobicContact CD2-CD2 3.51Å; L670-L752 HydrophobicContact CD2-CG 4.34Å; I676-L752 HydrophobicContact CG2-CD2 4.26Å; F678-L752 HydrophobicContact CD2-CD2 4.23Å; T748-L752 WeakPolarHBondContact O-CG 3.19Å; T748-L752 PolarHBondContact O-N 2.82Å; E749-L752 WeakPolarHBondContact O-CB 3.5Å; E749-L752 PolarHBondContact O-N 3.27Å; E749-L752 VanDerWaalsContact O-N 3.12Å; L752-A754 VanDerWaalsContact C-N 3.34Å; L752-A754 PolarHBondContact O-N 2.87Å; L752-L755 PolarHBondContact O-N 3.18Å; L752-E756 WeakPolarHBondContact O-CG 3.46Å; L752-E756 PolarHBondContact O-N 3.28Å
753W91.5Very high91.7Very high67 Ų6732.4 Ų32.425%0.25418%0.176SC..Hα-helixtrans-60.5-41.5178.3-63.3-25.7000113E749 D750 E756 T757E749-W753 VanDerWaalsContact CD-CZ2 3.48Å; E749-W753 HydrophobicContact CG-CD2 4.34Å; E749-W753 HydrophobicContact CG-CH2 3.85Å; E749-W753 HydrophobicContact CG-CZ2 3.49Å; E749-W753 VanDerWaalsContact CG-CZ2 3.49Å; E749-W753 HydrophobicContact CG-CZ3 4.4Å; E749-W753 PolarHBondContact O-N 2.77Å; E749-W753 VanDerWaalsContact O-N 3.12Å; E749-W753 VanDerWaalsContact OE1-CZ2 3.24Å; E749-W753 WeakPolarHBondContact OE1-CZ2 3.41Å; D750-W753 PolarHBondContact O-N 2.87Å; W753-E756 PolarHBondContact O-N 2.76Å; W753-T757 WeakPolarHBondContact O-CB 3.49Å; W753-T757 PolarHBondContact O-N 3.19Å; W753-T757 PolarHBondContact O-OG1 2.89Å
754A93.6Very high91.9Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-65.7-39.517700000111.8Y734 R741 L742 D750 C751 L752 L758Y734-A754 PolarHBondContact OH-O 2.83Å; R741-A754 HydrophobicContact CB-CB 4.34Å; L742-A754 HydrophobicContact CD2-CB 3.7Å; L742-A754 WeakPolarHBondContact CD2-O 3.37Å; L742-A754 HydrophobicContact CG-CB 4.1Å; D750-A754 WeakPolarHBondContact O-CB 3.35Å; D750-A754 PolarHBondContact O-N 3.26Å; C751-A754 PolarHBondContact O-N 3.31Å; L752-A754 VanDerWaalsContact C-N 3.34Å; L752-A754 PolarHBondContact O-N 2.87Å; A754-L758 WeakPolarHBondContact O-CB 3.32Å; A754-L758 PolarHBondContact O-N 3.1Å
755L94.3Very high92.4Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-69.5-41.2176.6-71.1171.7000112.1L663 N666 L670 F678 L742 C751 L752 T757 L758 F759L663-L755 HydrophobicContact CD1-CD2 3.92Å; N666-L755 HydrophobicContact CB-CD2 3.76Å; L670-L755 HydrophobicContact CD2-CD1 4.34Å; F678-L755 HydrophobicContact CD2-CB 4.39Å; F678-L755 HydrophobicContact CE2-CB 3.75Å; F678-L755 HydrophobicContact CZ-CB 4.35Å; L742-L755 HydrophobicContact CD2-CD2 3.86Å; L742-L755 HydrophobicContact CD2-CG 4.25Å; C751-L755 WeakPolarHBondContact O-CB 3.43Å; C751-L755 WeakPolarHBondContact O-CG 3.38Å; C751-L755 PolarHBondContact O-N 2.87Å; L752-L755 PolarHBondContact O-N 3.18Å; L755-T757 VanDerWaalsContact C-N 3.34Å; L755-L758 PolarHBondContact O-N 3.12Å; L755-F759 VanDerWaalsContact O-CB 3.3Å; L755-F759 WeakPolarHBondContact O-CB 3.44Å; L755-F759 PolarHBondContact O-N 2.79Å
756E93.8Very high92.9Very high41 Ų4123 Ų2319%0.19213%0.128CC..Hα-helixtrans-59.9-45173.3-75.5-178.5153.200111.2F678 L752 W753 F759 S760F678-E756 HydrophobicContact CE2-CG 3.82Å; F678-E756 HydrophobicContact CZ-CG 4.22Å; L752-E756 WeakPolarHBondContact O-CG 3.46Å; L752-E756 PolarHBondContact O-N 3.28Å; W753-E756 PolarHBondContact O-N 2.76Å; E756-F759 PolarHBondContact O-N 3.28Å; E756-S760 VanDerWaalsContact O-CB 3.32Å; E756-S760 WeakPolarHBondContact O-CB 3.33Å; E756-S760 PolarHBondContact O-N 2.91Å
757T94.7Very high93.5Very high10 Ų1020.9 Ų20.96%0.06111%0.11CC..Hα-helixtrans-62.7-48.2176.8-61.10000111.2D693 I696 Q697 Y734 W753 L755 F759 S760 V761D693-T757 HydrophobicContact CB-CG2 4.03Å; I696-T757 HydrophobicContact CG2-CG2 3.62Å; Q697-T757 HydrophobicContact CG-CG2 4.04Å; Y734-T757 HydrophobicContact CE2-CG2 4.33Å; Y734-T757 WeakPolarHBondContact OH-CB 3.31Å; Y734-T757 VanDerWaalsContact OH-CG2 3.26Å; Y734-T757 WeakPolarHBondContact OH-CG2 3.47Å; W753-T757 WeakPolarHBondContact O-CB 3.49Å; W753-T757 PolarHBondContact O-N 3.19Å; W753-T757 PolarHBondContact O-OG1 2.89Å; L755-T757 VanDerWaalsContact C-N 3.34Å; T757-F759 VanDerWaalsContact C-N 3.34Å; T757-F759 PolarHBondContact O-N 3.4Å; T757-S760 WeakPolarHBondContact O-CB 3.38Å; T757-S760 PolarHBondContact O-N 3.18Å; T757-V761 VanDerWaalsContact O-CG2 3.31Å; T757-V761 WeakPolarHBondContact O-CG2 3.27Å; T757-V761 PolarHBondContact O-N 3.22Å
758L96.1Very high94Very high0 Ų019.2 Ų19.20%09%0.093CC..Hα-helixtrans-62-41.4178-179.857.1000111.9F662 L663 L730 Y734 V735 L742 A754 L755 L762F662-L758 HydrophobicContact CD1-CD2 4.46Å; L663-L758 HydrophobicContact CB-CD2 3.9Å; L663-L758 HydrophobicContact CB-CG 4.29Å; L663-L758 HydrophobicContact CD1-CB 4.3Å; L663-L758 HydrophobicContact CD1-CD2 4.1Å; L663-L758 HydrophobicContact CD1-CG 4.15Å; L730-L758 HydrophobicContact CD1-CD1 3.89Å; Y734-L758 HydrophobicContact CD1-CD1 4.37Å; Y734-L758 HydrophobicContact CE1-CB 4.15Å; Y734-L758 HydrophobicContact CE1-CD1 4.15Å; V735-L758 HydrophobicContact CG2-CD1 3.82Å; V735-L758 HydrophobicContact CG2-CD2 4.45Å; L742-L758 HydrophobicContact CD1-CD2 4.18Å; L742-L758 HydrophobicContact CD2-CB 4.24Å; L742-L758 HydrophobicContact CD2-CD2 3.96Å; A754-L758 WeakPolarHBondContact O-CB 3.32Å; A754-L758 PolarHBondContact O-N 3.1Å; L755-L758 PolarHBondContact O-N 3.12Å; L758-L762 HydrophobicContact CD1-CD1 3.9Å; L758-L762 HydrophobicContact CD1-CG 4.15Å; L758-L762 HydrophobicContact CG-CD1 3.95Å; L758-L762 WeakPolarHBondContact O-CB 3.28Å; L758-L762 WeakPolarHBondContact O-CG 3.37Å; L758-L762 PolarHBondContact O-N 2.88Å
759F96Very high94.4Very high0 Ų017 Ų170%08%0.079CC..Hα-helixtrans-60.5-50.7175.3-176.8-78.8000111L663 F678 Y680 L755 E756 T757 V761 L762 F763 L784 L787 I788L663-F759 HydrophobicContact CD1-CB 4.33Å; L663-F759 HydrophobicContact CD2-CB 4.14Å; L663-F759 HydrophobicContact CD2-CD2 3.9Å; L663-F759 HydrophobicContact CD2-CG 4.44Å; F678-F759 HydrophobicContact CE1-CB 4.21Å; F678-F759 AromaticContact CE1-CD2 3.88Å; F678-F759 HydrophobicContact CE1-CD2 3.88Å; F678-F759 HydrophobicContact CE1-CG 4.12Å; F678-F759 HydrophobicContact CZ-CB 3.97Å; F678-F759 HydrophobicContact CZ-CD2 4.49Å; F678-F759 HydrophobicContact CZ-CG 4.33Å; Y680-F759 VanDerWaalsContact CB-CD1 3.44Å; Y680-F759 AromaticContact CD1-CD1 3.53Å; Y680-F759 HydrophobicContact CD1-CD1 3.53Å; Y680-F759 AromaticContact CD1-CE1 3.38Å; Y680-F759 HydrophobicContact CD1-CE1 3.38Å; Y680-F759 AromaticContact CD2-CD1 3.63Å; Y680-F759 HydrophobicContact CD2-CD1 3.63Å; Y680-F759 HydrophobicContact CD2-CE1 4.33Å; Y680-F759 HydrophobicContact CD2-CG 4.38Å; Y680-F759 HydrophobicContact CE1-CD1 4.14Å; Y680-F759 HydrophobicContact CE1-CE1 4.13Å; Y680-F759 HydrophobicContact CE2-CD1 4.24Å; Y680-F759 AromaticContact CG-CD1 3.22Å; Y680-F759 HydrophobicContact CG-CD1 3.22Å; Y680-F759 AromaticContact CG-CE1 3.48Å; Y680-F759 HydrophobicContact CG-CE1 3.48Å; Y680-F759 VanDerWaalsContact CG-CE1 3.48Å; Y680-F759 HydrophobicContact CG-CG 4.16Å; L755-F759 VanDerWaalsContact O-CB 3.3Å; L755-F759 WeakPolarHBondContact O-CB 3.44Å; L755-F759 PolarHBondContact O-N 2.79Å; E756-F759 PolarHBondContact O-N 3.28Å; T757-F759 VanDerWaalsContact C-N 3.34Å; T757-F759 PolarHBondContact O-N 3.4Å; F759-V761 VanDerWaalsContact C-N 3.31Å; F759-V761 PolarHBondContact O-N 3.44Å; F759-L762 PolarHBondContact O-N 3.27Å; F759-F763 HydrophobicContact CD1-CB 4.35Å; F759-F763 HydrophobicContact CE1-CB 4.02Å; F759-F763 HydrophobicContact CE1-CG 4.29Å; F759-F763 VanDerWaalsContact O-CB 3.29Å; F759-F763 WeakPolarHBondContact O-CB 3.43Å; F759-F763 PolarHBondContact O-N 2.92Å; F759-L784 HydrophobicContact CD2-CD2 4.06Å; F759-L784 HydrophobicContact CE2-CB 4.18Å; F759-L784 HydrophobicContact CE2-CD2 3.64Å; F759-L784 HydrophobicContact CE2-CG 4.47Å; F759-L784 HydrophobicContact CZ-CB 4.35Å; F759-L784 HydrophobicContact CZ-CD2 4.49Å; F759-L787 HydrophobicContact CD2-CB 4.32Å; F759-L787 HydrophobicContact CD2-CD1 4.28Å; F759-L787 HydrophobicContact CE2-CB 3.63Å; F759-L787 HydrophobicContact CE2-CD1 4.08Å; F759-L787 HydrophobicContact CE2-CG 4.48Å; F759-L787 HydrophobicContact CZ-CB 4.25Å; F759-I788 HydrophobicContact CE1-CG1 4.04Å; F759-I788 HydrophobicContact CZ-CD1 4.33Å; F759-I788 HydrophobicContact CZ-CG1 3.6Å
760S94.4Very high94.8Very high2 Ų211.3 Ų11.31%0.0145%0.052CC..Hα-helixtrans-55.2-45.3179.8-174.50000112.2Y680 Q697 E756 T757 S764Y680-S760 WeakPolarHBondContact OH-CB 3.22Å; Y680-S760 PolarHBondContact OH-OG 2.92Å; Q697-S760 PolarHBondContact NE2-OG 3.4Å; E756-S760 VanDerWaalsContact O-CB 3.32Å; E756-S760 WeakPolarHBondContact O-CB 3.33Å; E756-S760 PolarHBondContact O-N 2.91Å; T757-S760 WeakPolarHBondContact O-CB 3.38Å; T757-S760 PolarHBondContact O-N 3.18Å; S760-S764 WeakPolarHBondContact O-CB 3.08Å; S760-S764 PolarHBondContact O-N 3.34Å; S760-S764 PolarHBondContact O-OG 3.25Å
761V95.8Very high95.2Very high0 Ų09.7 Ų9.70%04%0.044CC..Hα-helixtrans-67.8-46.9179175.30000111.4I696 F726 L730 T757 F759 F763 S764 M765I696-V761 HydrophobicContact CG1-CG1 4.21Å; I696-V761 HydrophobicContact CG1-CG2 3.93Å; I696-V761 HydrophobicContact CG2-CG2 4.09Å; F726-V761 HydrophobicContact CE1-CG1 3.65Å; F726-V761 HydrophobicContact CZ-CG1 3.65Å; L730-V761 HydrophobicContact CD1-CG1 3.85Å; L730-V761 HydrophobicContact CD2-CG1 4.26Å; T757-V761 VanDerWaalsContact O-CG2 3.31Å; T757-V761 WeakPolarHBondContact O-CG2 3.27Å; T757-V761 PolarHBondContact O-N 3.22Å; F759-V761 VanDerWaalsContact C-N 3.31Å; F759-V761 PolarHBondContact O-N 3.44Å; V761-F763 VanDerWaalsContact C-N 3.35Å; V761-F763 PolarHBondContact O-N 3.3Å; V761-S764 PolarHBondContact O-N 3.3Å; V761-M765 WeakPolarHBondContact O-CB 3.38Å; V761-M765 WeakPolarHBondContact O-CG 3.19Å; V761-M765 PolarHBondContact O-N 2.98Å
762L97.1Very high95.4Very high1 Ų19.7 Ų9.71%0.0054%0.044CC..Hα-helixtrans-62.6-42.1178.2-78.7169.5000111.8A659 L663 L730 L758 F759 M765 C766A659-L762 HydrophobicContact CB-CD2 4.42Å; L663-L762 HydrophobicContact CB-CD1 4.03Å; L663-L762 HydrophobicContact CD2-CD1 3.67Å; L663-L762 HydrophobicContact CG-CD1 4.47Å; L730-L762 HydrophobicContact CD2-CD2 3.78Å; L730-L762 HydrophobicContact CD2-CG 4.35Å; L758-L762 HydrophobicContact CD1-CD1 3.9Å; L758-L762 HydrophobicContact CD1-CG 4.15Å; L758-L762 HydrophobicContact CG-CD1 3.95Å; L758-L762 WeakPolarHBondContact O-CB 3.28Å; L758-L762 WeakPolarHBondContact O-CG 3.37Å; L758-L762 PolarHBondContact O-N 2.88Å; F759-L762 PolarHBondContact O-N 3.27Å; L762-M765 PolarHBondContact O-N 3.36Å; L762-C766 PolarHBondContact O-N 3.08Å; L762-C766 PolarHBondContact O-SG 3.31Å; L762-C766 VanDerWaalsContact O-SG 3.34Å
763F95.9Very high95.8Very high12 Ų127.8 Ų7.85%0.0533%0.034CC..Hα-helixtrans-65.7-43.7177.8-178.3-125.5000112F759 V761 M765 C766 R767 Y781 I788 I801 L804F759-F763 HydrophobicContact CD1-CB 4.35Å; F759-F763 HydrophobicContact CE1-CB 4.02Å; F759-F763 HydrophobicContact CE1-CG 4.29Å; F759-F763 VanDerWaalsContact O-CB 3.29Å; F759-F763 WeakPolarHBondContact O-CB 3.43Å; F759-F763 PolarHBondContact O-N 2.92Å; V761-F763 VanDerWaalsContact C-N 3.35Å; V761-F763 PolarHBondContact O-N 3.3Å; F763-M765 VanDerWaalsContact C-N 3.34Å; F763-M765 PolarHBondContact O-N 3.38Å; F763-C766 PolarHBondContact O-N 3.13Å; F763-R767 HydrophobicContact CE2-CG 4.37Å; F763-R767 HydrophobicContact CZ-CG 4.47Å; F763-R767 PolarHBondContact O-N 3.06Å; F763-R767 VanDerWaalsContact O-N 3.1Å; F763-Y781 HydrophobicContact CD2-CD2 4.46Å; F763-Y781 AromaticContact CE2-CD2 3.9Å; F763-Y781 HydrophobicContact CE2-CD2 3.9Å; F763-Y781 AromaticContact CE2-CE2 3.78Å; F763-Y781 HydrophobicContact CE2-CE2 3.78Å; F763-I788 HydrophobicContact CD2-CD1 4.2Å; F763-I788 HydrophobicContact CE1-CD1 4.27Å; F763-I788 HydrophobicContact CE2-CD1 3.7Å; F763-I788 HydrophobicContact CZ-CD1 3.72Å; F763-I801 HydrophobicContact CE2-CD1 4.29Å; F763-L804 HydrophobicContact CE2-CD1 3.94Å; F763-L804 HydrophobicContact CZ-CD1 3.68Å
764S95.7Very high96.1Very high2 Ų24.6 Ų4.61%0.0142%0.021CC..Hα-helixtrans-59.8-44.7173.8-61.30000111.4S760 V761 C766 R767 L768S760-S764 WeakPolarHBondContact O-CB 3.08Å; S760-S764 PolarHBondContact O-N 3.34Å; S760-S764 PolarHBondContact O-OG 3.25Å; V761-S764 PolarHBondContact O-N 3.3Å; S764-C766 PolarHBondContact O-N 3.01Å; S764-R767 PolarHBondContact O-N 3.48Å; S764-L768 WeakPolarHBondContact O-CG 3.19Å; S764-L768 PolarHBondContact O-N 3.43Å
765M96Very high96.3Very high0 Ų04.7 Ų4.70%02%0.022CC..Hα-helixtrans-61.9-42.3175.6-79.7-63.8-70.200112.5W656 L703 L723 F726 V727 V761 L762 F763 R767 L768 M769W656-M765 HydrophobicContact CZ2-CB 4.22Å; L703-M765 HydrophobicContact CD2-SD 3.67Å; L723-M765 HydrophobicContact CD2-CE 4.47Å; F726-M765 HydrophobicContact CB-CE 4.39Å; F726-M765 HydrophobicContact CD1-CE 3.64Å; F726-M765 HydrophobicContact CD1-CG 3.76Å; F726-M765 HydrophobicContact CD1-SD 3.27Å; F726-M765 WeakPolarHBondContact CD1-SD 3.16Å; F726-M765 HydrophobicContact CE1-CE 4.39Å; F726-M765 HydrophobicContact CE1-CG 3.51Å; F726-M765 HydrophobicContact CE1-SD 3.6Å; F726-M765 VanDerWaalsContact CE1-SD 3.6Å; F726-M765 HydrophobicContact CG-CE 4.35Å; F726-M765 HydrophobicContact CG-SD 3.97Å; F726-M765 HydrophobicContact CZ-CG 4.48Å; F726-M765 HydrophobicContact CZ-SD 4.49Å; V727-M765 HydrophobicContact CG2-CE 4.01Å; V761-M765 WeakPolarHBondContact O-CB 3.38Å; V761-M765 WeakPolarHBondContact O-CG 3.19Å; V761-M765 PolarHBondContact O-N 2.98Å; L762-M765 PolarHBondContact O-N 3.36Å; F763-M765 VanDerWaalsContact C-N 3.34Å; F763-M765 PolarHBondContact O-N 3.38Å; M765-R767 VanDerWaalsContact C-N 3.3Å; M765-R767 PolarHBondContact O-N 3.03Å; M765-L768 PolarHBondContact O-N 2.87Å; M765-M769 HydrophobicContact CE-CG 4.23Å; M765-M769 VanDerWaalsContact O-CB 3.27Å; M765-M769 WeakPolarHBondContact O-CB 3.24Å; M765-M769 WeakPolarHBondContact O-CG 3.31Å; M765-M769 PolarHBondContact O-N 2.72Å
766C97.1Very high96.5Very high1 Ų14.9 Ų4.91%0.0072%0.023CC..Hα-helixtrans-58.3-42.6175.2-74.90000111.8L762 F763 S764 A770 T777 I801L762-C766 PolarHBondContact O-N 3.08Å; L762-C766 PolarHBondContact O-SG 3.31Å; L762-C766 VanDerWaalsContact O-SG 3.34Å; F763-C766 PolarHBondContact O-N 3.13Å; S764-C766 PolarHBondContact O-N 3.01Å; C766-A770 WeakPolarHBondContact O-CB 3.39Å; C766-A770 PolarHBondContact O-N 3.13Å; C766-T777 WeakPolarHBondContact O-CG2 3.4Å; C766-I801 HydrophobicContact CB-CD1 4.42Å
767R96.1Very high96.7Very high25 Ų253 Ų39%0.0941%0.014CC..Hα-helixtrans-65.6-44177.2-67.9169.671.9-178.37.7112.2F763 S764 M765 I801 M805 L806F763-R767 HydrophobicContact CE2-CG 4.37Å; F763-R767 HydrophobicContact CZ-CG 4.47Å; F763-R767 PolarHBondContact O-N 3.06Å; F763-R767 VanDerWaalsContact O-N 3.1Å; S764-R767 PolarHBondContact O-N 3.48Å; M765-R767 VanDerWaalsContact C-N 3.3Å; M765-R767 PolarHBondContact O-N 3.03Å; R767-I801 HydrophobicContact CG-CD1 3.83Å; R767-M805 PolarHBondContact NE-O 2.81Å; R767-M805 PolarHBondContact NH2-O 3.26Å; R767-L806 PolarHBondContact NH2-O 2.93Å
768L96.6Very high96.9Very high1 Ų12.5 Ų2.51%0.0051%0.011CC..Hα-helixtrans-66.7-37.6178-66.8178.2000113L703 I704 F707 L723 S764 M765 P771 L806 P807L703-L768 HydrophobicContact CD2-CD1 4.01Å; L703-L768 HydrophobicContact CG-CD1 4.18Å; I704-L768 HydrophobicContact CG1-CD1 3.85Å; I704-L768 HydrophobicContact CG1-CD2 4.25Å; I704-L768 HydrophobicContact CG1-CG 4.44Å; F707-L768 HydrophobicContact CB-CD2 4.4Å; F707-L768 HydrophobicContact CD1-CD2 3.72Å; F707-L768 HydrophobicContact CD2-CD2 4.39Å; F707-L768 HydrophobicContact CE1-CD2 4.01Å; F707-L768 HydrophobicContact CE2-CB 4.49Å; F707-L768 WeakPolarHBondContact CE2-O 3.26Å; F707-L768 HydrophobicContact CG-CD2 3.93Å; F707-L768 HydrophobicContact CZ-CD2 4.46Å; F707-L768 WeakPolarHBondContact CZ-O 3.36Å; L723-L768 HydrophobicContact CD2-CB 4.37Å; S764-L768 WeakPolarHBondContact O-CG 3.19Å; S764-L768 PolarHBondContact O-N 3.43Å; M765-L768 PolarHBondContact O-N 2.87Å; L768-P771 WeakPolarHBondContact O-CD 3.36Å; L768-L806 HydrophobicContact CD2-CD2 4.35Å; L768-P807 HydrophobicContact CD2-CG 4Å; L768-P807 HydrophobicContact CG-CG 4.28Å
769M96.9Very high97Very high1 Ų13.7 Ų3.71%0.0052%0.017CC..Hα-helixtrans-83.2-14.6-178.7-72.4-71.5-71.100113.1L625 W656 L723 M765 F772 T773 T777L625-M769 HydrophobicContact CD2-CE 4.4Å; W656-M769 HydrophobicContact CH2-CB 3.67Å; W656-M769 HydrophobicContact CH2-CG 3.81Å; W656-M769 HydrophobicContact CZ2-CG 4.47Å; W656-M769 HydrophobicContact CZ3-CB 4.25Å; W656-M769 HydrophobicContact CZ3-CE 4.1Å; W656-M769 HydrophobicContact CZ3-CG 4.22Å; L723-M769 HydrophobicContact CB-SD 3.89Å; L723-M769 HydrophobicContact CD1-SD 3.7Å; L723-M769 HydrophobicContact CD2-SD 4.26Å; L723-M769 HydrophobicContact CG-SD 4.17Å; M765-M769 HydrophobicContact CE-CG 4.23Å; M765-M769 VanDerWaalsContact O-CB 3.27Å; M765-M769 WeakPolarHBondContact O-CB 3.24Å; M765-M769 WeakPolarHBondContact O-CG 3.31Å; M765-M769 PolarHBondContact O-N 2.72Å; M769-F772 WeakPolarHBondContact O-CA 3.25Å; M769-F772 WeakPolarHBondContact O-CB 3.34Å; M769-F772 PolarHBondContact O-N 2.88Å; M769-T773 HydrophobicContact CE-CG2 3.84Å; M769-T773 PolarHBondContact O-N 3.49Å; M769-T773 PolarHBondContact O-OG1 3.1Å; M769-T777 HydrophobicContact CB-CG2 3.69Å
770A97.5Very high97.1Very high0 Ų03.7 Ų3.70%02%0.017CC..THydrogen-bonded Turntrans-54.9-39.3-176.300000114.2C766 F772 P774 I801 H802C766-A770 WeakPolarHBondContact O-CB 3.39Å; C766-A770 PolarHBondContact O-N 3.13Å; A770-F772 VanDerWaalsContact C-N 3.29Å; A770-F772 PolarHBondContact O-N 3.36Å; A770-P774 VanDerWaalsContact O-CA 3.32Å; A770-P774 WeakPolarHBondContact O-CA 3.37Å; A770-P774 WeakPolarHBondContact O-CB 3.44Å; A770-I801 HydrophobicContact CB-CG1 4.16Å; A770-I801 HydrophobicContact CB-CG2 4.3Å; A770-H802 PolarHBondContact O-CE1 2.68Å
771P97.3Very high97.2Very high0 Ų03.6 Ų3.60%02%0.016CC..THydrogen-bonded Turntrans-62.4-32.6171.9-25.135.3000114.3I67 R70 F71 Q74 R624 L768I67-P771 WeakPolarHBondContact CG1-O 3.32Å; I67-P771 HydrophobicContact CG2-CB 4.26Å; R70-P771 HydrophobicContact CB-CB 3.96Å; R70-P771 HydrophobicContact CB-CG 4.29Å; F71-P771 HydrophobicContact CB-CG 4.45Å; Q74-P771 VanDerWaalsContact OE1-CG 3.24Å; R624-P771 PolarHBondContact NH2-O 3.05Å; L768-P771 WeakPolarHBondContact O-CD 3.36Å
772F97.1Very high97.2Very high0 Ų05.4 Ų5.40%03%0.025CC..THydrogen-bonded Turntrans-88.5-51.1-170-65-99.8000111.7I67 R624 I628 F707 M711 V719 V720 L723 M769 A770 P774I67-F772 HydrophobicContact CD1-CD1 3.98Å; I67-F772 HydrophobicContact CD1-CE1 4.27Å; I67-F772 HydrophobicContact CG1-CD1 4.4Å; I67-F772 HydrophobicContact CG2-CD1 4.38Å; I67-F772 HydrophobicContact CG2-CE1 3.96Å; I67-F772 HydrophobicContact CG2-CE2 4.14Å; I67-F772 HydrophobicContact CG2-CZ 3.82Å; R624-F772 PolarHBondContact NE-O 3.42Å; I628-F772 HydrophobicContact CD1-CB 4.47Å; I628-F772 HydrophobicContact CD1-CD1 3.53Å; I628-F772 HydrophobicContact CD1-CE1 4.26Å; I628-F772 HydrophobicContact CD1-CG 4.48Å; F707-F772 HydrophobicContact CE2-CD2 4.34Å; F707-F772 AromaticContact CE2-CE2 3.46Å; F707-F772 HydrophobicContact CE2-CE2 3.46Å; F707-F772 VanDerWaalsContact CE2-CE2 3.46Å; F707-F772 HydrophobicContact CE2-CZ 4.04Å; F707-F772 AromaticContact CZ-CE2 3.74Å; F707-F772 HydrophobicContact CZ-CE2 3.74Å; M711-F772 HydrophobicContact CE-CE2 4.4Å; M711-F772 HydrophobicContact CE-CZ 4.07Å; M711-F772 HydrophobicContact SD-CE2 4.42Å; M711-F772 HydrophobicContact SD-CZ 3.74Å; V719-F772 HydrophobicContact CG1-CE1 4.35Å; V719-F772 HydrophobicContact CG1-CE2 4.46Å; V719-F772 HydrophobicContact CG1-CZ 3.82Å; V720-F772 HydrophobicContact CG2-CD1 3.81Å; V720-F772 HydrophobicContact CG2-CE1 3.62Å; L723-F772 HydrophobicContact CD1-CD2 4.43Å; L723-F772 HydrophobicContact CD1-CE2 4.4Å; M769-F772 WeakPolarHBondContact O-CA 3.25Å; M769-F772 WeakPolarHBondContact O-CB 3.34Å; M769-F772 PolarHBondContact O-N 2.88Å; A770-F772 VanDerWaalsContact C-N 3.29Å; A770-F772 PolarHBondContact O-N 3.36Å; F772-P774 VanDerWaalsContact C-CD 3.49Å; F772-P774 WeakPolarHBondContact O-CD 3.44Å
773T97.7Very high97.1Very high0 Ų06.1 Ų6.10%03%0.029CC..SBendtrans-125.371.9-175.759.50000109.1D621 L625 F653 M769 F775 I776 T777D621-T773 HydrophobicContact CB-CG2 4.15Å; D621-T773 VanDerWaalsContact CG-CA 3.44Å; D621-T773 VanDerWaalsContact OD1-CA 3.31Å; D621-T773 WeakPolarHBondContact OD1-CA 3.47Å; D621-T773 WeakPolarHBondContact OD2-CB 3.43Å; L625-T773 HydrophobicContact CB-CG2 4.32Å; L625-T773 HydrophobicContact CD2-CG2 4.3Å; F653-T773 HydrophobicContact CE1-CG2 3.84Å; F653-T773 HydrophobicContact CZ-CG2 3.58Å; M769-T773 HydrophobicContact CE-CG2 3.84Å; M769-T773 PolarHBondContact O-N 3.49Å; M769-T773 PolarHBondContact O-OG1 3.1Å; T773-F775 VanDerWaalsContact C-N 3.25Å; T773-F775 PolarHBondContact O-N 3.46Å; T773-I776 WeakPolarHBondContact OG1-CG2 3.3Å; T773-T777 WeakPolarHBondContact O-CB 3.2Å; T773-T777 VanDerWaalsContact O-CG2 3.26Å; T773-T777 WeakPolarHBondContact O-CG2 3.48Å; T773-T777 PolarHBondContact O-N 2.71Å; T773-T777 PolarHBondContact O-OG1 3.11Å
774P98.3Very high97.1Very high0 Ų05.6 Ų5.60%03%0.026CC..Hα-helixtrans-66.7-21.7-168.627.6-39.1000114.3W22 D621 A770 F772 T777 E778 H802W22-P774 HydrophobicContact CH2-CB 3.84Å; W22-P774 HydrophobicContact CH2-CG 4.36Å; W22-P774 HydrophobicContact CZ2-CB 4.36Å; W22-P774 WeakPolarHBondContact CZ2-O 3.43Å; D621-P774 WeakPolarHBondContact OD1-CD 3.23Å; A770-P774 VanDerWaalsContact O-CA 3.32Å; A770-P774 WeakPolarHBondContact O-CA 3.37Å; A770-P774 WeakPolarHBondContact O-CB 3.44Å; F772-P774 VanDerWaalsContact C-CD 3.49Å; F772-P774 WeakPolarHBondContact O-CD 3.44Å; P774-T777 WeakPolarHBondContact CA-OG1 3.5Å; P774-T777 PolarHBondContact O-OG1 3.27Å; P774-E778 WeakPolarHBondContact O-CB 3.39Å; P774-E778 PolarHBondContact O-N 3.47Å; P774-H802 VanDerWaalsContact CB-CE1 3.47Å; P774-H802 WeakPolarHBondContact CB-CE1 3.44Å; P774-H802 PolarHBondContact O-NE2 3.28Å
775F98.7Very high97Very high2 Ų28.9 Ų8.91%0.0094%0.039CC..Hα-helixtrans-84.5-52-176.9-65.8-76.7000112.8E15 I18 L19 W22 G139 A620 D621 T773 T777 E778 M779E15-F775 HydrophobicContact CB-CB 4.15Å; E15-F775 HydrophobicContact CB-CD1 3.96Å; E15-F775 HydrophobicContact CB-CD2 4.34Å; E15-F775 HydrophobicContact CB-CE1 4.43Å; E15-F775 HydrophobicContact CB-CG 3.92Å; E15-F775 HydrophobicContact CG-CB 3.59Å; E15-F775 HydrophobicContact CG-CD1 4.3Å; E15-F775 HydrophobicContact CG-CD2 4.03Å; E15-F775 HydrophobicContact CG-CG 3.74Å; I18-F775 HydrophobicContact CB-CD1 4.01Å; I18-F775 HydrophobicContact CG2-CD1 3.76Å; I18-F775 HydrophobicContact CG2-CE1 4.46Å; L19-F775 HydrophobicContact CB-CE1 4.34Å; L19-F775 HydrophobicContact CD1-CE1 3.5Å; L19-F775 VanDerWaalsContact CD1-CE1 3.5Å; L19-F775 HydrophobicContact CD1-CZ 3.52Å; L19-F775 HydrophobicContact CG-CE1 3.74Å; L19-F775 HydrophobicContact CG-CZ 4.09Å; W22-F775 HydrophobicContact CE3-CE1 4.02Å; W22-F775 AromaticContact CH2-CD1 3.57Å; W22-F775 HydrophobicContact CH2-CD1 3.57Å; W22-F775 AromaticContact CH2-CE1 3.65Å; W22-F775 HydrophobicContact CH2-CE1 3.65Å; W22-F775 HydrophobicContact CH2-CG 4.09Å; W22-F775 HydrophobicContact CH2-CZ 4.23Å; W22-F775 HydrophobicContact CZ2-CD1 4.42Å; W22-F775 AromaticContact CZ3-CD1 3.69Å; W22-F775 HydrophobicContact CZ3-CD1 3.69Å; W22-F775 AromaticContact CZ3-CE1 3.24Å; W22-F775 HydrophobicContact CZ3-CE1 3.24Å; W22-F775 HydrophobicContact CZ3-CG 4.48Å; W22-F775 AromaticContact CZ3-CZ 3.72Å; W22-F775 HydrophobicContact CZ3-CZ 3.72Å; G139-F775 VanDerWaalsContact CA-CZ 3.45Å; A620-F775 HydrophobicContact CB-CD2 4.19Å; A620-F775 HydrophobicContact CB-CE2 3.8Å; D621-F775 WeakPolarHBondContact OD1-CD2 3.4Å; D621-F775 PolarHBondContact OD1-N 2.92Å; D621-F775 WeakPolarHBondContact OD2-CA 3.42Å; D621-F775 WeakPolarHBondContact OD2-CB 3.36Å; D621-F775 PolarHBondContact OD2-N 3.46Å; T773-F775 VanDerWaalsContact C-N 3.25Å; T773-F775 PolarHBondContact O-N 3.46Å; F775-T777 PolarHBondContact O-N 2.79Å; F775-E778 PolarHBondContact O-N 3.45Å; F775-M779 WeakPolarHBondContact O-CB 3.34Å; F775-M779 PolarHBondContact O-N 2.74Å
776I97.8Very high96.9Very high5 Ų512.7 Ų12.73%0.0266%0.056CC..Hα-helixtrans-62.2-35.8-179.3-168176.4000111.1F11 D621 F653 W656 T773 M779 M780F11-I776 HydrophobicContact CD1-CD1 4.22Å; F11-I776 HydrophobicContact CE1-CD1 3.61Å; F11-I776 HydrophobicContact CE1-CG1 4.29Å; D621-I776 WeakPolarHBondContact OD2-CG2 3.17Å; D621-I776 PolarHBondContact OD2-N 3.48Å; F653-I776 HydrophobicContact CB-CD1 3.94Å; F653-I776 HydrophobicContact CD1-CD1 4.28Å; F653-I776 HydrophobicContact CD2-CD1 4.16Å; F653-I776 HydrophobicContact CG-CD1 3.9Å; W656-I776 HydrophobicContact CE3-CD1 4.2Å; W656-I776 HydrophobicContact CZ3-CD1 4.44Å; W656-I776 HydrophobicContact CZ3-CG2 3.88Å; T773-I776 WeakPolarHBondContact OG1-CG2 3.3Å; I776-M779 HydrophobicContact CG1-CE 4.01Å; I776-M779 PolarHBondContact O-N 3.33Å; I776-M780 HydrophobicContact CD1-CE 3.81Å; I776-M780 HydrophobicContact CG1-CE 3.73Å; I776-M780 HydrophobicContact CG1-SD 4.42Å; I776-M780 VanDerWaalsContact O-CG 3.32Å; I776-M780 WeakPolarHBondContact O-CG 3.28Å; I776-M780 PolarHBondContact O-N 3.5Å
777T98.3Very high96.7Very high0 Ų012.7 Ų12.70%06%0.056CC..Hα-helixtrans-68.4-43.5177.450.30000111.9W656 C766 M769 T773 P774 F775 Y781W656-T777 HydrophobicContact CH2-CG2 3.68Å; W656-T777 HydrophobicContact CZ3-CG2 4.39Å; C766-T777 WeakPolarHBondContact O-CG2 3.4Å; M769-T777 HydrophobicContact CB-CG2 3.69Å; T773-T777 WeakPolarHBondContact O-CB 3.2Å; T773-T777 VanDerWaalsContact O-CG2 3.26Å; T773-T777 WeakPolarHBondContact O-CG2 3.48Å; T773-T777 PolarHBondContact O-N 2.71Å; T773-T777 PolarHBondContact O-OG1 3.11Å; P774-T777 WeakPolarHBondContact CA-OG1 3.5Å; P774-T777 PolarHBondContact O-OG1 3.27Å; F775-T777 PolarHBondContact O-N 2.79Å; T777-Y781 WeakPolarHBondContact O-CB 3.39Å; T777-Y781 PolarHBondContact O-N 2.91Å
778E98.5Very high96.5Very high0 Ų012.1 Ų12.10%06%0.055CC..Hα-helixtrans-62.8-47.1173.4-172.975.8-110.400110.9I18 F21 W22 P774 F775 M780 Y781 Q782 S800 I801 H802I18-E778 HydrophobicContact CD1-CB 4.4Å; I18-E778 HydrophobicContact CD1-CG 3.99Å; I18-E778 HydrophobicContact CG2-CB 3.88Å; I18-E778 HydrophobicContact CG2-CG 3.74Å; F21-E778 HydrophobicContact CE1-CG 4.48Å; W22-E778 HydrophobicContact CZ2-CB 4.03Å; W22-E778 HydrophobicContact CZ2-CG 4.22Å; W22-E778 PolarHBondContact NE1-OE2 2.93Å; P774-E778 WeakPolarHBondContact O-CB 3.39Å; P774-E778 PolarHBondContact O-N 3.47Å; F775-E778 PolarHBondContact O-N 3.45Å; E778-M780 PolarHBondContact O-N 2.99Å; E778-Y781 PolarHBondContact O-N 3.31Å; E778-Y781 VanDerWaalsContact O-N 3.14Å; E778-Q782 HydrophobicContact CG-CG 4.38Å; E778-Q782 WeakPolarHBondContact O-CG 3.38Å; E778-Q782 PolarHBondContact O-N 3.47Å; E778-Q782 PolarHBondContact OE1-NE2 2.78Å; E778-S800 VanDerWaalsContact OE1-CA 3.27Å; E778-S800 WeakPolarHBondContact OE1-CA 3.4Å; E778-S800 PolarHBondContact OE1-OG 3.06Å; E778-S800 PolarHBondContact OE2-OG 2.63Å; E778-I801 HydrophobicContact CB-CG2 4.15Å; E778-I801 PolarHBondContact OE1-N 3.35Å; E778-H802 IonicContact OE2-CD2 3.95Å; E778-H802 PolarHBondContact OE2-CD2 2.99Å; E778-H802 IonicContact OE2-NE2 3.83Å
779M97.6Very high96.1Very high25 Ų2514.2 Ų14.212%0.1237%0.066CC..Hα-helixtrans-55.7-49.2178.3179.3-154.467.700112.1I9 E14 I18 Y657 F775 I776I9-M779 HydrophobicContact CD1-CE 3.75Å; I9-M779 HydrophobicContact CD1-SD 3.58Å; I9-M779 VanDerWaalsContact CD1-SD 3.58Å; E14-M779 HydrophobicContact CB-CG 4.44Å; E14-M779 HydrophobicContact CB-SD 3.78Å; E14-M779 HydrophobicContact CG-SD 3.83Å; I18-M779 HydrophobicContact CD1-CB 4.19Å; I18-M779 HydrophobicContact CG1-CB 4.11Å; Y657-M779 HydrophobicContact CD2-CE 3.99Å; Y657-M779 HydrophobicContact CE2-CE 4.12Å; F775-M779 WeakPolarHBondContact O-CB 3.34Å; F775-M779 PolarHBondContact O-N 2.74Å; I776-M779 HydrophobicContact CG1-CE 4.01Å; I776-M779 PolarHBondContact O-N 3.33Å
780M97.8Very high95.5Very high0 Ų019.4 Ų19.40%010%0.1CC..Hα-helixtrans-65.1-43.1176.6-68.7177.9-179.900111.2W656 Y657 Y660 I776 E778 Q782 N783 L784W656-M780 HydrophobicContact CD2-CE 4.33Å; W656-M780 HydrophobicContact CD2-SD 4.37Å; W656-M780 HydrophobicContact CG-CE 4.49Å; W656-M780 HydrophobicContact CZ2-SD 4.23Å; Y657-M780 HydrophobicContact CD2-CE 4.04Å; Y657-M780 HydrophobicContact CG-CE 4.49Å; Y660-M780 HydrophobicContact CD1-CE 4.18Å; Y660-M780 HydrophobicContact CD1-CG 3.79Å; Y660-M780 HydrophobicContact CD1-SD 4.33Å; Y660-M780 HydrophobicContact CE1-CG 3.99Å; Y660-M780 HydrophobicContact CG-CG 4.07Å; Y660-M780 HydrophobicContact CG-SD 4.29Å; I776-M780 HydrophobicContact CD1-CE 3.81Å; I776-M780 HydrophobicContact CG1-CE 3.73Å; I776-M780 HydrophobicContact CG1-SD 4.42Å; I776-M780 VanDerWaalsContact O-CG 3.32Å; I776-M780 WeakPolarHBondContact O-CG 3.28Å; I776-M780 PolarHBondContact O-N 3.5Å; E778-M780 PolarHBondContact O-N 2.99Å; M780-Q782 PolarHBondContact O-N 3.46Å; M780-N783 PolarHBondContact O-N 2.98Å; M780-L784 HydrophobicContact CB-CD1 4.33Å; M780-L784 WeakPolarHBondContact O-CB 3.47Å; M780-L784 VanDerWaalsContact O-CG 3.28Å; M780-L784 WeakPolarHBondContact O-CG 3.31Å; M780-L784 PolarHBondContact O-N 3.43Å
781Y97.4Very high94.8Very high1 Ų122.8 Ų22.80%0.00413%0.128CC..Hα-helixtrans-61.8-41.3-178.8175.2-107000113.2F763 T777 E778 N783 L784 R785 I788 S798 S800 I801 L804F763-Y781 HydrophobicContact CD2-CD2 4.46Å; F763-Y781 AromaticContact CE2-CD2 3.9Å; F763-Y781 HydrophobicContact CE2-CD2 3.9Å; F763-Y781 AromaticContact CE2-CE2 3.78Å; F763-Y781 HydrophobicContact CE2-CE2 3.78Å; T777-Y781 WeakPolarHBondContact O-CB 3.39Å; T777-Y781 PolarHBondContact O-N 2.91Å; E778-Y781 PolarHBondContact O-N 3.31Å; E778-Y781 VanDerWaalsContact O-N 3.14Å; Y781-N783 PolarHBondContact O-N 3.38Å; Y781-N783 VanDerWaalsContact O-N 3.12Å; Y781-L784 PolarHBondContact O-N 3.32Å; Y781-L784 VanDerWaalsContact O-N 3.12Å; Y781-R785 HydrophobicContact CD2-CB 4.44Å; Y781-R785 HydrophobicContact CE1-CB 4.27Å; Y781-R785 HydrophobicContact CE2-CB 3.93Å; Y781-R785 WeakPolarHBondContact O-CB 3.28Å; Y781-R785 PolarHBondContact O-N 3.47Å; Y781-I788 HydrophobicContact CE2-CD1 4.2Å; Y781-S798 WeakPolarHBondContact CE1-O 3.36Å; Y781-S798 WeakPolarHBondContact OH-CB 3.41Å; Y781-S798 PolarHBondContact OH-O 3.22Å; Y781-S800 VanDerWaalsContact CE1-C 3.43Å; Y781-I801 HydrophobicContact CD1-CB 3.75Å; Y781-I801 HydrophobicContact CD1-CD1 4.5Å; Y781-I801 HydrophobicContact CD2-CB 4.35Å; Y781-I801 HydrophobicContact CD2-CD1 3.56Å; Y781-I801 HydrophobicContact CE1-CB 4.42Å; Y781-I801 VanDerWaalsContact CE1-N 3.34Å; Y781-I801 HydrophobicContact CE2-CD1 4.11Å; Y781-I801 HydrophobicContact CG-CB 3.69Å; Y781-I801 HydrophobicContact CG-CD1 3.77Å; Y781-I801 HydrophobicContact CG-CG1 4.24Å; Y781-L804 HydrophobicContact CE2-CD1 3.72Å
782Q96.7Very high94Very high37 Ų3723.7 Ų23.717%0.17313%0.134CC..Hα-helixtrans-56.3-32.2-179.8-73.9-53.4-4700112.7E778 M780 R785 N799E778-Q782 HydrophobicContact CG-CG 4.38Å; E778-Q782 WeakPolarHBondContact O-CG 3.38Å; E778-Q782 PolarHBondContact O-N 3.47Å; E778-Q782 PolarHBondContact OE1-NE2 2.78Å; M780-Q782 PolarHBondContact O-N 3.46Å; Q782-R785 WeakPolarHBondContact O-CG 3.49Å; Q782-N799 PolarHBondContact NE2-O 2.8Å
783N95.3Very high93.1Very high17 Ų1725.3 Ų25.39%0.09114%0.144CC..Hα-helixtrans-86.5-44.1173.4-16019.9000112.2V2 E3 Y660 M780 Y781 R785 H786V2-N783 WeakPolarHBondContact CG2-OD1 3.24Å; E3-N783 PolarHBondContact N-OD1 3.34Å; E3-N783 PolarHBondContact O-ND2 3.2Å; Y660-N783 WeakPolarHBondContact OH-CB 3.44Å; Y660-N783 PolarHBondContact OH-ND2 3.39Å; M780-N783 PolarHBondContact O-N 2.98Å; Y781-N783 PolarHBondContact O-N 3.38Å; Y781-N783 VanDerWaalsContact O-N 3.12Å; N783-R785 VanDerWaalsContact C-N 3.25Å; N783-R785 PolarHBondContact O-N 2.92Å; N783-H786 WeakPolarHBondContact O-CB 3.27Å; N783-H786 PolarHBondContact O-N 3.36Å
784L95.3Very high92Very high1 Ų134 Ų341%0.00519%0.185CC..Hα-helixtrans-60.2-33-178.9-71.7172.5000112.9Y660 L663 F759 M780 Y781 H786 L787Y660-L784 HydrophobicContact CD2-CD1 4.4Å; Y660-L784 HydrophobicContact CD2-CD2 3.98Å; Y660-L784 HydrophobicContact CD2-CG 4.19Å; Y660-L784 HydrophobicContact CE2-CD2 3.9Å; Y660-L784 HydrophobicContact CE2-CG 3.92Å; L663-L784 HydrophobicContact CD2-CD2 3.95Å; F759-L784 HydrophobicContact CD2-CD2 4.06Å; F759-L784 HydrophobicContact CE2-CB 4.18Å; F759-L784 HydrophobicContact CE2-CD2 3.64Å; F759-L784 HydrophobicContact CE2-CG 4.47Å; F759-L784 HydrophobicContact CZ-CB 4.35Å; F759-L784 HydrophobicContact CZ-CD2 4.49Å; M780-L784 HydrophobicContact CB-CD1 4.33Å; M780-L784 WeakPolarHBondContact O-CB 3.47Å; M780-L784 VanDerWaalsContact O-CG 3.28Å; M780-L784 WeakPolarHBondContact O-CG 3.31Å; M780-L784 PolarHBondContact O-N 3.43Å; Y781-L784 PolarHBondContact O-N 3.32Å; Y781-L784 VanDerWaalsContact O-N 3.12Å; L784-H786 PolarHBondContact O-N 3.19Å; L784-H786 VanDerWaalsContact O-N 3.1Å; L784-L787 WeakPolarHBondContact O-CB 3.45Å; L784-L787 PolarHBondContact O-N 2.68Å
785R93.7Very high91Very high71 Ų7136 Ų3627%0.26819%0.194SC..G310 helixtrans-59.6-23.318078.6-173.6-161.7123.9-1.6113.4Y781 Q782 N783 L787 I788 N799Y781-R785 HydrophobicContact CD2-CB 4.44Å; Y781-R785 HydrophobicContact CE1-CB 4.27Å; Y781-R785 HydrophobicContact CE2-CB 3.93Å; Y781-R785 WeakPolarHBondContact O-CB 3.28Å; Y781-R785 PolarHBondContact O-N 3.47Å; Q782-R785 WeakPolarHBondContact O-CG 3.49Å; N783-R785 VanDerWaalsContact C-N 3.25Å; N783-R785 PolarHBondContact O-N 2.92Å; R785-L787 PolarHBondContact O-N 3.11Å; R785-I788 PolarHBondContact O-N 3.48Å; R785-N799 PolarHBondContact NH1-OD1 2.91Å
786H92.9Very high89.8Confident79 Ų7946.5 Ų46.537%0.36624%0.239SC..G310 helixtrans-73-12.4174.9-65-51.8000113.9N783 L784N783-H786 WeakPolarHBondContact O-CB 3.27Å; N783-H786 PolarHBondContact O-N 3.36Å; L784-H786 PolarHBondContact O-N 3.19Å; L784-H786 VanDerWaalsContact O-N 3.1Å
787L93.4Very high89.1Confident2 Ų248 Ų481%0.0125%0.247CC..G310 helixtrans-105.43.2177.1-59.1179.1000112V2 V667 F678 L679 Y680 F759 L784 R785V2-L787 HydrophobicContact CB-CD1 4.29Å; V2-L787 HydrophobicContact CB-CD2 3.85Å; V2-L787 HydrophobicContact CB-CG 4.08Å; V2-L787 HydrophobicContact CG1-CD2 4.08Å; V2-L787 HydrophobicContact CG2-CD1 3.99Å; V2-L787 HydrophobicContact CG2-CD2 4.46Å; V2-L787 HydrophobicContact CG2-CG 4.19Å; V667-L787 HydrophobicContact CG1-CD1 4.16Å; V667-L787 HydrophobicContact CG1-CD2 3.95Å; V667-L787 HydrophobicContact CG2-CD1 4.41Å; F678-L787 HydrophobicContact CD1-CB 4.25Å; F678-L787 HydrophobicContact CD1-CD1 4.28Å; F678-L787 HydrophobicContact CD1-CD2 4.28Å; F678-L787 HydrophobicContact CE1-CB 4.45Å; L679-L787 CarbonylContact C-O 3.54Å; L679-L787 WeakPolarHBondContact CA-O 3.36Å; Y680-L787 PolarHBondContact N-O 3.16Å; F759-L787 HydrophobicContact CD2-CB 4.32Å; F759-L787 HydrophobicContact CD2-CD1 4.28Å; F759-L787 HydrophobicContact CE2-CB 3.63Å; F759-L787 HydrophobicContact CE2-CD1 4.08Å; F759-L787 HydrophobicContact CE2-CG 4.48Å; F759-L787 HydrophobicContact CZ-CB 4.25Å; L784-L787 WeakPolarHBondContact O-CB 3.45Å; L784-L787 PolarHBondContact O-N 2.68Å; R785-L787 PolarHBondContact O-N 3.11Å
788I92Very high88.6Confident12 Ų1249.8 Ų49.86%0.06226%0.26CS..BIsolated β-bridgetrans-92.6130.1176-57176.4000108.2F759 F763 Y781 R785 P790 V793F759-I788 HydrophobicContact CE1-CG1 4.04Å; F759-I788 HydrophobicContact CZ-CD1 4.33Å; F759-I788 HydrophobicContact CZ-CG1 3.6Å; F763-I788 HydrophobicContact CD2-CD1 4.2Å; F763-I788 HydrophobicContact CE1-CD1 4.27Å; F763-I788 HydrophobicContact CE2-CD1 3.7Å; F763-I788 HydrophobicContact CZ-CD1 3.72Å; Y781-I788 HydrophobicContact CE2-CD1 4.2Å; R785-I788 PolarHBondContact O-N 3.48Å; I788-P790 WeakPolarHBondContact O-CD 3.48Å; I788-V793 HydrophobicContact CG2-CG2 3.55Å
789D88.2Confident88.3Confident45 Ų4552.3 Ų52.324%0.24127%0.273CS..  trans-63124168.9-176-15.3000109.2Y680 N681 A791 S792Y680-D789 WeakPolarHBondContact O-CB 3.47Å; Y680-D789 PolarHBondContact O-N 2.86Å; N681-D789 HydrophobicContact CB-CB 3.76Å; N681-D789 PolarHBondContact ND2-OD2 3.4Å; D789-A791 PolarHBondContact O-N 2.79Å; D789-A791 WeakPolarHBondContact OD1-CB 3.38Å; D789-A791 PolarHBondContact OD1-N 3.17Å; D789-S792 WeakPolarHBondContact O-CA 3.44Å; D789-S792 WeakPolarHBondContact O-CB 3.37Å; D789-S792 PolarHBondContact O-N 2.77Å
790P84.1Confident88.2Confident110 Ų11051.1 Ų51.171%0.71427%0.268SS*.G310 helixtrans-52.8-27.3175.5-27.235.5000114.2I788 S792I788-P790 WeakPolarHBondContact O-CD 3.48Å; P790-S792 PolarHBondContact O-N 2.93Å
791A83.9Confident88.2Confident71 Ų7151.1 Ų51.159%0.58727%0.268SS*.G310 helixtrans-71-14.1174.900000113.8D789D789-A791 PolarHBondContact O-N 2.79Å; D789-A791 WeakPolarHBondContact OD1-CB 3.38Å; D789-A791 PolarHBondContact OD1-N 3.17Å
792S79.7Confident88.1Confident19 Ų1951.2 Ų51.213%0.13327%0.268CS..G310 helixtrans-89.1-7.6179.7-170.70000113.7E682 D789 P790E682-S792 PolarHBondContact N-OG 2.94Å; D789-S792 WeakPolarHBondContact O-CA 3.44Å; D789-S792 WeakPolarHBondContact O-CB 3.37Å; D789-S792 PolarHBondContact O-N 2.77Å; P790-S792 PolarHBondContact O-N 2.93Å
793V78.6Confident88Confident34 Ų3449.7 Ų49.721%0.20626%0.261CS..  trans-109.4119.7-176.4-172.80000109.6I788 E795 L804I788-V793 HydrophobicContact CG2-CG2 3.55Å; V793-E795 HydrophobicContact CG1-CB 4.19Å; V793-E795 WeakPolarHBondContact CG1-OE2 3.5Å; V793-L804 HydrophobicContact CG1-CD2 4.21Å
794E74.4Confident88Confident184 Ų18449 Ų4986%0.8626%0.257SS*.  trans-80.1-28.2179.3-63.6-174.2173.500111.8
795E76.7Confident87.9Confident41 Ų4150.6 Ų50.619%0.19227%0.265CS..SBendtrans-68.7132.2-179-65.986.8165.700112.1V793 D797 L804 M805V793-E795 HydrophobicContact CG1-CB 4.19Å; V793-E795 WeakPolarHBondContact CG1-OE2 3.5Å; E795-D797 PolarHBondContact O-N 3.37Å; E795-L804 HydrophobicContact CB-CD2 4.14Å; E795-L804 HydrophobicContact CG-CD2 4.09Å; E795-M805 PolarHBondContact OE1-N 3.33Å
796K72.9Confident87.9Confident222 Ų22247.9 Ų47.997%0.96526%0.256SS*.SBendtrans-61.8-29.1179.4-68.4-175.8179-179.60113.5
797D83.3Confident87.8Confident37 Ų3744.5 Ų44.520%0.19824%0.241CC..  trans-131.1115.8176.9-174.1-4.9000109.5E795 N799 Y803E795-D797 PolarHBondContact O-N 3.37Å; D797-N799 WeakPolarHBondContact OD1-CB 3.45Å; D797-N799 PolarHBondContact OD1-N 2.89Å; D797-N799 PolarHBondContact OD1-ND2 3.13Å; D797-Y803 HydrophobicContact CB-CD2 4.41Å
798S88.1Confident87.7Confident38 Ų3850.3 Ų50.327%0.26627%0.268SS..  trans-11224.7179.463.40000111.7Y781 S800Y781-S798 WeakPolarHBondContact CE1-O 3.36Å; Y781-S798 WeakPolarHBondContact OH-CB 3.41Å; Y781-S798 PolarHBondContact OH-O 3.22Å; S798-S800 VanDerWaalsContact C-N 3.29Å; S798-S800 PolarHBondContact O-N 3.32Å
799N92.4Very high87.8Confident52 Ų5251.3 Ų51.328%0.27828%0.275SS..SBendtrans-71.4-18.9-179.3-72.6-46.6000114.4F21 Q782 R785 D797 Y803F21-N799 WeakPolarHBondContact CZ-O 3.49Å; Q782-N799 PolarHBondContact NE2-O 2.8Å; R785-N799 PolarHBondContact NH1-OD1 2.91Å; D797-N799 WeakPolarHBondContact OD1-CB 3.45Å; D797-N799 PolarHBondContact OD1-N 2.89Å; D797-N799 PolarHBondContact OD1-ND2 3.13Å; N799-Y803 HydrophobicContact CB-CE2 4.27Å
800S96Very high88Confident0 Ų052.1 Ų52.10%027%0.274CS..SBendtrans-134.2146.5174.8166.80000110.6E778 Y781 S798 H802 Y803E778-S800 VanDerWaalsContact OE1-CA 3.27Å; E778-S800 WeakPolarHBondContact OE1-CA 3.4Å; E778-S800 PolarHBondContact OE1-OG 3.06Å; E778-S800 PolarHBondContact OE2-OG 2.63Å; Y781-S800 VanDerWaalsContact CE1-C 3.43Å; S798-S800 VanDerWaalsContact C-N 3.29Å; S798-S800 PolarHBondContact O-N 3.32Å; S800-H802 PolarHBondContact O-N 3.46Å; S800-H802 PolarHBondContact OG-N 3.13Å; S800-Y803 WeakPolarHBondContact O-CB 3.33Å; S800-Y803 PolarHBondContact O-N 3.41Å; S800-Y803 VanDerWaalsContact O-N 3.15Å
801I96.4Very high88.4Confident0 Ų051.8 Ų51.80%027%0.266CS..G310 helixtrans-59.3-29.7175.2-17066.1000111.6F763 C766 R767 A770 E778 Y781 Y803 L804F763-I801 HydrophobicContact CE2-CD1 4.29Å; C766-I801 HydrophobicContact CB-CD1 4.42Å; R767-I801 HydrophobicContact CG-CD1 3.83Å; A770-I801 HydrophobicContact CB-CG1 4.16Å; A770-I801 HydrophobicContact CB-CG2 4.3Å; E778-I801 HydrophobicContact CB-CG2 4.15Å; E778-I801 PolarHBondContact OE1-N 3.35Å; Y781-I801 HydrophobicContact CD1-CB 3.75Å; Y781-I801 HydrophobicContact CD1-CD1 4.5Å; Y781-I801 HydrophobicContact CD2-CB 4.35Å; Y781-I801 HydrophobicContact CD2-CD1 3.56Å; Y781-I801 HydrophobicContact CE1-CB 4.42Å; Y781-I801 VanDerWaalsContact CE1-N 3.34Å; Y781-I801 HydrophobicContact CE2-CD1 4.11Å; Y781-I801 HydrophobicContact CG-CB 3.69Å; Y781-I801 HydrophobicContact CG-CD1 3.77Å; Y781-I801 HydrophobicContact CG-CG1 4.24Å; I801-Y803 PolarHBondContact O-N 3.5Å; I801-L804 HydrophobicContact CD1-CD1 4.12Å; I801-L804 PolarHBondContact O-N 2.91Å
802H96.8Very high88.8Confident3 Ų354.4 Ų54.41%0.01427%0.271CS..G310 helixtrans-76.2-4.9-177.4-61.2-68.9000113.4W22 R70 W141 A770 P774 E778 S800W22-H802 AromaticContact CZ2-CD2 3.86Å; W22-H802 AromaticContact CZ2-NE2 3.46Å; W22-H802 WeakPolarHBondContact CZ2-NE2 3.18Å; R70-H802 PolarHBondContact NH1-CE1 2.85Å; R70-H802 VanDerWaalsContact NH1-CE1 3.35Å; R70-H802 PolarHBondContact NH1-ND1 3.26Å; W141-H802 HydrophobicContact CH2-CB 3.31Å; W141-H802 AromaticContact CH2-CD2 3.67Å; W141-H802 AromaticContact CH2-CG 3.56Å; W141-H802 HydrophobicContact CZ2-CB 4.34Å; W141-H802 AromaticContact CZ2-CD2 3.86Å; W141-H802 HydrophobicContact CZ3-CB 3.52Å; W141-H802 AromaticContact CZ3-CG 3.96Å; A770-H802 PolarHBondContact O-CE1 2.68Å; P774-H802 VanDerWaalsContact CB-CE1 3.47Å; P774-H802 WeakPolarHBondContact CB-CE1 3.44Å; P774-H802 PolarHBondContact O-NE2 3.28Å; E778-H802 IonicContact OE2-CD2 3.95Å; E778-H802 PolarHBondContact OE2-CD2 2.99Å; E778-H802 IonicContact OE2-NE2 3.83Å; S800-H802 PolarHBondContact O-N 3.46Å; S800-H802 PolarHBondContact OG-N 3.13Å
803Y94.7Very high89.3Confident5 Ų555.1 Ų55.12%0.0227%0.273CS..G310 helixtrans-89-21.9171.3-55.4-17.1000112C27 C31 D797 N799 S800 I801 M805C27-Y803 WeakPolarHBondContact CA-OH 3.34Å; C27-Y803 HydrophobicContact CB-CE1 4.33Å; C27-Y803 WeakPolarHBondContact CB-OH 3.46Å; C27-Y803 WeakPolarHBondContact O-CE1 3.35Å; C27-Y803 PolarHBondContact SG-OH 2.88Å; C31-Y803 HydrophobicContact CB-CD1 4.23Å; C31-Y803 HydrophobicContact CB-CE1 4.09Å; D797-Y803 HydrophobicContact CB-CD2 4.41Å; N799-Y803 HydrophobicContact CB-CE2 4.27Å; S800-Y803 WeakPolarHBondContact O-CB 3.33Å; S800-Y803 PolarHBondContact O-N 3.41Å; S800-Y803 VanDerWaalsContact O-N 3.15Å; I801-Y803 PolarHBondContact O-N 3.5Å; Y803-M805 WeakPolarHBondContact O-CE 3.2Å
804L93.6Very high90.1Very high4 Ų455.2 Ų55.22%0.02127%0.272CS..SBendtrans-78.8140.4-178.3-54.4-169.6000110.8Q74 F763 Y781 V793 E795 I801Q74-L804 WeakPolarHBondContact CG-O 3.36Å; Q74-L804 PolarHBondContact NE2-O 3.24Å; F763-L804 HydrophobicContact CE2-CD1 3.94Å; F763-L804 HydrophobicContact CZ-CD1 3.68Å; Y781-L804 HydrophobicContact CE2-CD1 3.72Å; V793-L804 HydrophobicContact CG1-CD2 4.21Å; E795-L804 HydrophobicContact CB-CD2 4.14Å; E795-L804 HydrophobicContact CG-CD2 4.09Å; I801-L804 HydrophobicContact CD1-CD1 4.12Å; I801-L804 PolarHBondContact O-N 2.91Å
805M93.5Very high91Very high33 Ų3349.6 Ų49.616%0.16325%0.248CC..PPolyproline II helixtrans-68.9168.1174.6-62.1-5992.600110.8R38 Q74 R767 E795 Y803R38-M805 PolarHBondContact NH1-SD 3.45Å; Q74-M805 CarbonylContact O-C 3.42Å; Q74-M805 WeakPolarHBondContact O-CA 3.39Å; R767-M805 PolarHBondContact NE-O 2.81Å; R767-M805 PolarHBondContact NH2-O 3.26Å; E795-M805 PolarHBondContact OE1-N 3.33Å; Y803-M805 WeakPolarHBondContact O-CE 3.2Å
806L93.8Very high91.8Very high14 Ų1453.2 Ų53.27%0.07326%0.263CS..PPolyproline II helixtrans-69148.6169.8-70.3170.3000110.9F71 Q74 F707 R767 L768F71-L806 HydrophobicContact CD2-CD1 3.49Å; F71-L806 VanDerWaalsContact CD2-CD1 3.49Å; F71-L806 HydrophobicContact CE2-CD1 3.41Å; F71-L806 VanDerWaalsContact CE2-CD1 3.41Å; F71-L806 HydrophobicContact CZ-CD1 4.5Å; Q74-L806 HydrophobicContact CB-CD1 4.45Å; Q74-L806 HydrophobicContact CB-CD2 4.4Å; Q74-L806 HydrophobicContact CB-CG 3.82Å; Q74-L806 PolarHBondContact O-N 2.92Å; F707-L806 HydrophobicContact CE1-CD1 4Å; F707-L806 HydrophobicContact CE1-CD2 4.24Å; R767-L806 PolarHBondContact NH2-O 2.93Å; L768-L806 HydrophobicContact CD2-CD2 4.35Å
807P92.1Very high92.7Very high9 Ų948.4 Ų48.46%0.05824%0.239CC..PPolyproline II helixtrans-61.8138.9174.727.6-34.6000110.1I704 L768I704-P807 HydrophobicContact CD1-CB 3.95Å; I704-P807 HydrophobicContact CD1-CG 3.83Å; I704-P807 HydrophobicContact CG1-CG 3.98Å; I704-P807 HydrophobicContact CG2-CG 4.24Å; I704-P807 VanDerWaalsContact CG2-O 3.31Å; I704-P807 WeakPolarHBondContact CG2-O 3.49Å; L768-P807 HydrophobicContact CD2-CG 4Å; L768-P807 HydrophobicContact CG-CG 4.28Å
808Q91.1Very high93.2Very high123 Ų12348 Ų4858%0.57524%0.236SC*.PPolyproline II helixtrans-82.6148.2172.9-62.3-56.3-43.300110.3R810Q808-R810 PolarHBondContact O-N 3.29Å
809V94.3Very high93.5Very high34 Ų3447.5 Ų47.521%0.20623%0.229CC..PPolyproline II helixtrans-69.8129.4177-176.50000109.1I704 Q705 I814I704-V809 HydrophobicContact CB-CG2 4.32Å; I704-V809 HydrophobicContact CG2-CG2 3.74Å; Q705-V809 HydrophobicContact CB-CG1 4.09Å; Q705-V809 HydrophobicContact CB-CG2 3.86Å; Q705-V809 HydrophobicContact CG-CG2 4.44Å; V809-I814 HydrophobicContact CG1-CD1 3.97Å
810R91.8Very high93.5Very high61 Ų6147.7 Ų47.723%0.2324%0.235CC..  trans-104.887.3172-65.8-176-68.7179.90.5108.9E682 Q701 Q808 N812 L813E682-R810 IonicContact OE1-CZ 3.98Å; E682-R810 IonicContact OE1-NE 2.77Å; E682-R810 IonicContact OE1-NH1 2.9Å; E682-R810 IonicContact OE1-NH2 2.92Å; Q701-R810 HydrophobicContact CG-CB 4.45Å; Q808-R810 PolarHBondContact O-N 3.29Å; R810-N812 PolarHBondContact O-N 3.43Å; R810-N812 VanDerWaalsContact O-N 3.14Å; R810-L813 HydrophobicContact CB-CD1 3.99Å; R810-L813 HydrophobicContact CB-CG 4.16Å; R810-L813 VanDerWaalsContact CZ-CD1 3.47Å; R810-L813 PolarHBondContact O-N 2.93Å
811D91.9Very high93.3Very high103 Ų10348 Ų4855%0.55124%0.238SC*.G310 helixtrans-57.9-29.3-173.8-65.9-71.9000113.2L813 I814D811-L813 PolarHBondContact O-N 3.09Å; D811-I814 PolarHBondContact O-N 3.32Å; D811-I814 VanDerWaalsContact O-N 3.11Å
812N91.9Very high93.2Very high127 Ų12748 Ų4868%0.67924%0.238SC*.G310 helixtrans-67.3-15.3177.467.6-46.1000114.4R810R810-N812 PolarHBondContact O-N 3.43Å; R810-N812 VanDerWaalsContact O-N 3.14Å
813L91.2Very high92.9Very high33 Ų3350.8 Ų50.817%0.17326%0.258CS..G310 helixtrans-96.2-5.6175.3-60.6-179.4000112.5Q687 S698 Q701 R810 D811 D815Q687-L813 VanDerWaalsContact NE2-CD2 3.27Å; S698-L813 WeakPolarHBondContact CA-O 3.5Å; S698-L813 VanDerWaalsContact CB-O 3.31Å; S698-L813 WeakPolarHBondContact CB-O 3.46Å; Q701-L813 HydrophobicContact CG-CB 4Å; Q701-L813 HydrophobicContact CG-CD1 4.4Å; R810-L813 HydrophobicContact CB-CD1 3.99Å; R810-L813 HydrophobicContact CB-CG 4.16Å; R810-L813 VanDerWaalsContact CZ-CD1 3.47Å; R810-L813 PolarHBondContact O-N 2.93Å; D811-L813 PolarHBondContact O-N 3.09Å; L813-D815 PolarHBondContact O-N 3.41Å
814I94.9Very high92.7Very high36 Ų3651.8 Ų51.819%0.18526%0.262CS..  trans-82.7111.5178-60.7176.7000109S698 Q701 V809 D811 K816S698-I814 WeakPolarHBondContact OG-CA 3.49Å; Q701-I814 HydrophobicContact CB-CD1 4.12Å; Q701-I814 HydrophobicContact CB-CG1 3.57Å; V809-I814 HydrophobicContact CG1-CD1 3.97Å; D811-I814 PolarHBondContact O-N 3.32Å; D811-I814 VanDerWaalsContact O-N 3.11Å; I814-K816 HydrophobicContact CG2-CD 4.46Å; I814-K816 HydrophobicContact CG2-CG 4.34Å
815D94.8Very high92.7Very high66 Ų6651.6 Ų51.635%0.35326%0.261SS..  trans-117.497.5173-170-30.8000110.1S698 L813 R817 I818 E819S698-D815 PolarHBondContact OG-N 3.38Å; S698-D815 PolarHBondContact OG-O 2.94Å; L813-D815 PolarHBondContact O-N 3.41Å; D815-R817 PolarHBondContact O-N 2.97Å; D815-R817 WeakPolarHBondContact OD1-CA 3.48Å; D815-R817 WeakPolarHBondContact OD1-CB 3.4Å; D815-R817 PolarHBondContact OD1-N 3.06Å; D815-I818 HydrophobicContact CB-CB 4.18Å; D815-I818 HydrophobicContact CB-CD1 4.07Å; D815-I818 HydrophobicContact CB-CG1 4.22Å; D815-I818 PolarHBondContact O-N 2.99Å; D815-I818 PolarHBondContact OD1-N 3.26Å; D815-I818 VanDerWaalsContact OD2-CD1 3.23Å; D815-I818 WeakPolarHBondContact OD2-CD1 3.39Å; D815-I818 WeakPolarHBondContact OD2-CG1 3.37Å; D815-E819 WeakPolarHBondContact O-CG 3.41Å; D815-E819 PolarHBondContact O-N 2.97Å; D815-E819 VanDerWaalsContact O-N 3.09Å
816K93.4Very high92.7Very high117 Ų11750.9 Ų50.951%0.50926%0.258SS..Hα-helixtrans-65.2-26.3179.7-68.2-70.8161.1-155.60113.2S702 I814 E819 S820S702-K816 PolarHBondContact OG-NZ 3.48Å; I814-K816 HydrophobicContact CG2-CD 4.46Å; I814-K816 HydrophobicContact CG2-CG 4.34Å; K816-E819 IonicContact NZ-OE1 3.32Å; K816-E819 IonicContact NZ-OE2 2.74Å; K816-E819 PolarHBondContact NZ-OE2 3.37Å; K816-S820 WeakPolarHBondContact O-CB 3.49Å; K816-S820 PolarHBondContact O-N 3.11Å
817R91.6Very high92.5Very high122 Ų12251.7 Ų51.746%0.4626%0.264SS..Hα-helixtrans-71.9-46.2178.9-173.8-177.6178.6144.811.4110D815 E819 S820 A821 D862D815-R817 PolarHBondContact O-N 2.97Å; D815-R817 WeakPolarHBondContact OD1-CA 3.48Å; D815-R817 WeakPolarHBondContact OD1-CB 3.4Å; D815-R817 PolarHBondContact OD1-N 3.06Å; R817-E819 VanDerWaalsContact C-N 3.34Å; R817-E819 PolarHBondContact O-N 2.79Å; R817-S820 PolarHBondContact O-N 3.29Å; R817-A821 WeakPolarHBondContact O-CB 3.16Å; R817-A821 PolarHBondContact O-N 2.95Å; R817-D862 IonicContact CZ-OD1 2.67Å; R817-D862 IonicContact NE-OD1 3.06Å; R817-D862 PolarHBondContact NE-OD1 3.3Å; R817-D862 IonicContact NE-OD2 3.61Å; R817-D862 IonicContact NH2-OD1 3.11Å; R817-D862 PolarHBondContact NH2-OD1 3.04Å
818I93.6Very high92.5Very high29 Ų2951.2 Ų51.215%0.14926%0.261CS..Hα-helixtrans-62.9-41.4175.4-66.1176000110.9I691 K694 W695 D815 S820 A821 V822I691-I818 HydrophobicContact CG2-CG2 4.26Å; K694-I818 HydrophobicContact CB-CD1 4.01Å; K694-I818 HydrophobicContact CD-CD1 4.46Å; W695-I818 HydrophobicContact CB-CG2 3.53Å; W695-I818 HydrophobicContact CG-CG2 4.26Å; D815-I818 HydrophobicContact CB-CB 4.18Å; D815-I818 HydrophobicContact CB-CD1 4.07Å; D815-I818 HydrophobicContact CB-CG1 4.22Å; D815-I818 PolarHBondContact O-N 2.99Å; D815-I818 PolarHBondContact OD1-N 3.26Å; D815-I818 VanDerWaalsContact OD2-CD1 3.23Å; D815-I818 WeakPolarHBondContact OD2-CD1 3.39Å; D815-I818 WeakPolarHBondContact OD2-CG1 3.37Å; I818-S820 VanDerWaalsContact C-N 3.32Å; I818-S820 PolarHBondContact O-N 3.43Å; I818-A821 PolarHBondContact O-N 3.45Å; I818-V822 HydrophobicContact CG2-CG2 4.45Å; I818-V822 WeakPolarHBondContact O-CG2 3.43Å; I818-V822 PolarHBondContact O-N 3.11Å
819E94.1Very high92.6Very high26 Ų2645.4 Ų45.412%0.12123%0.234CC..Hα-helixtrans-56.9-45.2173.7-73.8177.4-171.900112.2S698 F699 S702 D815 K816 R817 S823S698-E819 VanDerWaalsContact O-OE1 3.11Å; S698-E819 PolarHBondContact OG-OE1 3.27Å; F699-E819 WeakPolarHBondContact CA-OE1 3.44Å; F699-E819 PolarHBondContact N-OE1 3.15Å; S702-E819 WeakPolarHBondContact CB-OE1 3.27Å; S702-E819 PolarHBondContact OG-OE1 2.77Å; S702-E819 PolarHBondContact OG-OE2 2.9Å; D815-E819 WeakPolarHBondContact O-CG 3.41Å; D815-E819 PolarHBondContact O-N 2.97Å; D815-E819 VanDerWaalsContact O-N 3.09Å; K816-E819 IonicContact NZ-OE1 3.32Å; K816-E819 IonicContact NZ-OE2 2.74Å; K816-E819 PolarHBondContact NZ-OE2 3.37Å; R817-E819 VanDerWaalsContact C-N 3.34Å; R817-E819 PolarHBondContact O-N 2.79Å; E819-S823 WeakPolarHBondContact O-CB 3.35Å; E819-S823 PolarHBondContact O-N 3.15Å
820S91.3Very high92.6Very high56 Ų5648.4 Ų48.439%0.39225%0.246SC..Hα-helixtrans-65.2-46.1176.7-170.90000112.1K816 R817 I818 V822 S823 Q824K816-S820 WeakPolarHBondContact O-CB 3.49Å; K816-S820 PolarHBondContact O-N 3.11Å; R817-S820 PolarHBondContact O-N 3.29Å; I818-S820 VanDerWaalsContact C-N 3.32Å; I818-S820 PolarHBondContact O-N 3.43Å; S820-V822 PolarHBondContact O-N 2.96Å; S820-S823 WeakPolarHBondContact O-CB 3.49Å; S820-S823 PolarHBondContact O-N 2.98Å; S820-S823 VanDerWaalsContact O-N 3.17Å; S820-Q824 WeakPolarHBondContact O-CG 3.49Å; S820-Q824 PolarHBondContact O-N 3.29Å
821A92.3Very high92.5Very high7 Ų746.1 Ų46.16%0.05824%0.238CC..Hα-helixtrans-57.8-46.6179.200000111.9R817 I818 Q824 M825 D862 L866R817-A821 WeakPolarHBondContact O-CB 3.16Å; R817-A821 PolarHBondContact O-N 2.95Å; I818-A821 PolarHBondContact O-N 3.45Å; A821-Q824 PolarHBondContact O-N 3.04Å; A821-M825 PolarHBondContact O-N 3.27Å; A821-D862 HydrophobicContact CB-CB 3.72Å; A821-L866 HydrophobicContact CB-CD1 4.11Å; A821-L866 WeakPolarHBondContact O-CD1 3.37Å
822V93.8Very high92.5Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-68.6-37.4177.3175.90000111.3M692 W695 I818 S820 Q824 M825 Q826 L866M692-V822 HydrophobicContact SD-CG2 4.2Å; W695-V822 HydrophobicContact CB-CG2 3.94Å; W695-V822 HydrophobicContact CD2-CB 4.12Å; W695-V822 HydrophobicContact CD2-CG1 3.73Å; W695-V822 HydrophobicContact CD2-CG2 4.07Å; W695-V822 VanDerWaalsContact CE2-CG1 3.4Å; W695-V822 HydrophobicContact CE3-CG1 4.3Å; W695-V822 HydrophobicContact CG-CB 3.93Å; W695-V822 HydrophobicContact CG-CG1 4.08Å; W695-V822 HydrophobicContact CG-CG2 3.56Å; W695-V822 HydrophobicContact CH2-CG1 4.26Å; W695-V822 HydrophobicContact CZ2-CG1 3.71Å; I818-V822 HydrophobicContact CG2-CG2 4.45Å; I818-V822 WeakPolarHBondContact O-CG2 3.43Å; I818-V822 PolarHBondContact O-N 3.11Å; S820-V822 PolarHBondContact O-N 2.96Å; V822-Q824 VanDerWaalsContact C-N 3.31Å; V822-Q824 PolarHBondContact O-N 3.08Å; V822-M825 HydrophobicContact CG1-CE 3.99Å; V822-M825 WeakPolarHBondContact O-CB 3.49Å; V822-M825 PolarHBondContact O-N 2.66Å; V822-Q826 HydrophobicContact CG1-CG 4.32Å; V822-Q826 WeakPolarHBondContact O-CB 3.42Å; V822-Q826 VanDerWaalsContact O-CG 3.23Å; V822-Q826 WeakPolarHBondContact O-CG 3.19Å; V822-Q826 PolarHBondContact O-N 2.81Å; V822-L866 HydrophobicContact CG2-CD1 3.9Å
823S92Very high92.4Very high62 Ų6238 Ų3843%0.43419%0.19SC..Hα-helixtrans-60.4-40.4173.8-170.80000112.1E819 S820 Q826 S827E819-S823 WeakPolarHBondContact O-CB 3.35Å; E819-S823 PolarHBondContact O-N 3.15Å; S820-S823 WeakPolarHBondContact O-CB 3.49Å; S820-S823 PolarHBondContact O-N 2.98Å; S820-S823 VanDerWaalsContact O-N 3.17Å; S823-Q826 WeakPolarHBondContact O-CB 3.18Å; S823-Q826 PolarHBondContact O-N 3.17Å; S823-S827 PolarHBondContact O-N 3.05Å; S823-S827 PolarHBondContact O-OG 2.9Å
824Q90.6Very high92.4Very high26 Ų2639.5 Ų39.512%0.12120%0.201CC..Hα-helixtrans-67-43.3176.2-70.6170.1-6.500111.6S820 A821 V822 Q826 S827 V828 A859 I863S820-Q824 WeakPolarHBondContact O-CG 3.49Å; S820-Q824 PolarHBondContact O-N 3.29Å; A821-Q824 PolarHBondContact O-N 3.04Å; V822-Q824 VanDerWaalsContact C-N 3.31Å; V822-Q824 PolarHBondContact O-N 3.08Å; Q824-Q826 VanDerWaalsContact C-N 3.29Å; Q824-Q826 PolarHBondContact O-N 3.39Å; Q824-S827 PolarHBondContact O-N 3.42Å; Q824-V828 WeakPolarHBondContact O-CG2 3.3Å; Q824-V828 PolarHBondContact O-N 2.87Å; Q824-A859 VanDerWaalsContact NE2-CB 3.32Å; Q824-A859 PolarHBondContact OE1-O 3.3Å; Q824-I863 HydrophobicContact CB-CD1 4.21Å; Q824-I863 HydrophobicContact CB-CG1 3.94Å
825M92.9Very high92.1Very high0 Ų037.9 Ų37.90%019%0.192CC..Hα-helixtrans-57.2-43.3173-178.5-158.972.400111.6W733 A821 V822 V828 I829 L866 Y869 I870W733-M825 HydrophobicContact CE3-CE 4.39Å; A821-M825 PolarHBondContact O-N 3.27Å; V822-M825 HydrophobicContact CG1-CE 3.99Å; V822-M825 WeakPolarHBondContact O-CB 3.49Å; V822-M825 PolarHBondContact O-N 2.66Å; M825-V828 PolarHBondContact O-N 3.02Å; M825-I829 HydrophobicContact CE-CD1 4.3Å; M825-I829 HydrophobicContact CG-CD1 3.91Å; M825-I829 WeakPolarHBondContact O-CG1 3.4Å; M825-I829 PolarHBondContact O-N 3Å; M825-I829 HydrophobicContact SD-CD1 4.4Å; M825-L866 HydrophobicContact CB-CB 4.27Å; M825-L866 HydrophobicContact CB-CD1 3.78Å; M825-L866 HydrophobicContact CG-CB 4.01Å; M825-L866 HydrophobicContact CG-CD1 4.27Å; M825-L866 HydrophobicContact SD-CB 3.74Å; M825-L866 HydrophobicContact SD-CD1 3.95Å; M825-L866 HydrophobicContact SD-CD2 4.28Å; M825-L866 HydrophobicContact SD-CG 4.21Å; M825-Y869 VanDerWaalsContact SD-CB 3.53Å; M825-Y869 HydrophobicContact SD-CD2 4.21Å; M825-Y869 HydrophobicContact SD-CG 4.14Å; M825-I870 HydrophobicContact CG-CD1 4.05Å; M825-I870 HydrophobicContact CG-CG1 3.58Å
826Q92.7Very high91.8Very high18 Ų1834.8 Ų34.88%0.08418%0.176CC..Hα-helixtrans-61.2-48.8176.3-72174.4-32.800111.5M729 W733 V822 S823 Q824 V828 I829 E830M729-Q826 PolarHBondContact SD-NE2 3.32Å; W733-Q826 VanDerWaalsContact CD1-NE2 3.3Å; W733-Q826 HydrophobicContact CD2-CG 3.72Å; W733-Q826 HydrophobicContact CE3-CG 3.76Å; W733-Q826 HydrophobicContact CG-CG 4.42Å; W733-Q826 HydrophobicContact CH2-CB 3.87Å; W733-Q826 HydrophobicContact CH2-CG 3.75Å; W733-Q826 HydrophobicContact CZ2-CB 3.9Å; W733-Q826 HydrophobicContact CZ2-CG 3.73Å; W733-Q826 HydrophobicContact CZ3-CB 4.32Å; W733-Q826 HydrophobicContact CZ3-CG 3.78Å; V822-Q826 HydrophobicContact CG1-CG 4.32Å; V822-Q826 WeakPolarHBondContact O-CB 3.42Å; V822-Q826 VanDerWaalsContact O-CG 3.23Å; V822-Q826 WeakPolarHBondContact O-CG 3.19Å; V822-Q826 PolarHBondContact O-N 2.81Å; S823-Q826 WeakPolarHBondContact O-CB 3.18Å; S823-Q826 PolarHBondContact O-N 3.17Å; Q824-Q826 VanDerWaalsContact C-N 3.29Å; Q824-Q826 PolarHBondContact O-N 3.39Å; Q826-V828 VanDerWaalsContact C-N 3.3Å; Q826-V828 PolarHBondContact O-N 3.24Å; Q826-I829 PolarHBondContact O-N 3.1Å; Q826-I829 VanDerWaalsContact O-N 3.16Å; Q826-E830 WeakPolarHBondContact O-CB 3.35Å; Q826-E830 WeakPolarHBondContact O-CG 3.44Å; Q826-E830 PolarHBondContact O-N 3.33Å
827S91.1Very high91.5Very high30 Ų3034.9 Ų34.921%0.2118%0.182CC..Hα-helixtrans-54.6-45.6174.9-75.20000111.8S823 Q824 I829 E830 L831 D966S823-S827 PolarHBondContact O-N 3.05Å; S823-S827 PolarHBondContact O-OG 2.9Å; Q824-S827 PolarHBondContact O-N 3.42Å; S827-I829 PolarHBondContact O-N 3.36Å; S827-E830 PolarHBondContact O-N 3.24Å; S827-L831 WeakPolarHBondContact O-CB 3.39Å; S827-L831 WeakPolarHBondContact O-CG 3.23Å; S827-L831 PolarHBondContact O-N 2.69Å; S827-D966 PolarHBondContact OG-OD2 3.44Å
828V92.3Very high91.2Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-60.1-46.7177.7171.20000111.6Q824 M825 Q826 G832 V852 I863 I870 V969 V971Q824-V828 WeakPolarHBondContact O-CG2 3.3Å; Q824-V828 PolarHBondContact O-N 2.87Å; M825-V828 PolarHBondContact O-N 3.02Å; Q826-V828 VanDerWaalsContact C-N 3.3Å; Q826-V828 PolarHBondContact O-N 3.24Å; V828-G832 PolarHBondContact O-N 3.36Å; V828-V852 HydrophobicContact CB-CG2 4.45Å; V828-V852 HydrophobicContact CG1-CG2 3.58Å; V828-V852 HydrophobicContact CG2-CG1 3.77Å; V828-V852 HydrophobicContact CG2-CG2 3.93Å; V828-I863 HydrophobicContact CG2-CD1 4.23Å; V828-I870 HydrophobicContact CG1-CD1 4.28Å; V828-I870 HydrophobicContact CG1-CG2 3.89Å; V828-V969 HydrophobicContact CG2-CG2 4.2Å; V828-V971 HydrophobicContact CB-CG2 4.38Å; V828-V971 HydrophobicContact CG1-CG2 4.22Å; V828-V971 HydrophobicContact CG2-CG2 4.27Å
829I93.3Very high90.7Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-66.4-40.8-179.8-69165.3000111.2W733 M825 Q826 S827 R833 I870 E873 L874W733-I829 HydrophobicContact CH2-CB 3.98Å; W733-I829 HydrophobicContact CH2-CD1 4.45Å; W733-I829 HydrophobicContact CH2-CG2 3.83Å; W733-I829 HydrophobicContact CZ3-CB 4.16Å; W733-I829 HydrophobicContact CZ3-CD1 3.77Å; W733-I829 HydrophobicContact CZ3-CG2 4Å; M825-I829 HydrophobicContact CE-CD1 4.3Å; M825-I829 HydrophobicContact CG-CD1 3.91Å; M825-I829 WeakPolarHBondContact O-CG1 3.4Å; M825-I829 PolarHBondContact O-N 3Å; M825-I829 HydrophobicContact SD-CD1 4.4Å; Q826-I829 PolarHBondContact O-N 3.1Å; Q826-I829 VanDerWaalsContact O-N 3.16Å; S827-I829 PolarHBondContact O-N 3.36Å; I829-R833 WeakPolarHBondContact O-CB 3.27Å; I829-R833 VanDerWaalsContact O-CG 3.28Å; I829-R833 WeakPolarHBondContact O-CG 3.36Å; I829-R833 PolarHBondContact O-N 3.16Å; I829-I870 HydrophobicContact CD1-CG1 4.33Å; I829-I870 HydrophobicContact CG1-CG1 4.31Å; I829-I870 HydrophobicContact CG1-CG2 4.47Å; I829-E873 HydrophobicContact CD1-CB 3.9Å; I829-E873 HydrophobicContact CD1-CG 4.25Å; I829-E873 HydrophobicContact CG1-CB 4.26Å; I829-E873 HydrophobicContact CG2-CB 4.03Å; I829-L874 HydrophobicContact CG1-CG 4.35Å; I829-L874 HydrophobicContact CG2-CD2 4.31Å; I829-L874 WeakPolarHBondContact O-CD2 3.45Å
830E92.4Very high90.2Very high97 Ų9742.7 Ų42.745%0.45323%0.225SC..Hα-helixtrans-65.7-47.5178-73.4178.717900111.5W733 Q826 S827 G832 R833 V834W733-E830 HydrophobicContact CH2-CG 4.33Å; W733-E830 HydrophobicContact CZ2-CG 4.14Å; Q826-E830 WeakPolarHBondContact O-CB 3.35Å; Q826-E830 WeakPolarHBondContact O-CG 3.44Å; Q826-E830 PolarHBondContact O-N 3.33Å; S827-E830 PolarHBondContact O-N 3.24Å; E830-G832 VanDerWaalsContact C-N 3.34Å; E830-G832 PolarHBondContact O-N 3.48Å; E830-R833 PolarHBondContact O-N 3.03Å; E830-R833 VanDerWaalsContact O-N 3.17Å; E830-V834 WeakPolarHBondContact O-CG2 3.37Å; E830-V834 PolarHBondContact O-N 3.38Å
831L91Very high89.8Confident13 Ų1342.3 Ų42.37%0.06822%0.218CC..Hα-helixtrans-59.8-44175.8-69.6170.3000111.5S827 R833 V834 I835 H964 D966 V969 V971S827-L831 WeakPolarHBondContact O-CB 3.39Å; S827-L831 WeakPolarHBondContact O-CG 3.23Å; S827-L831 PolarHBondContact O-N 2.69Å; L831-R833 VanDerWaalsContact C-N 3.35Å; L831-R833 PolarHBondContact O-N 3.35Å; L831-V834 PolarHBondContact O-N 3.44Å; L831-I835 VanDerWaalsContact O-CG1 3.31Å; L831-I835 WeakPolarHBondContact O-CG1 3Å; L831-I835 PolarHBondContact O-N 2.93Å; L831-H964 HydrophobicContact CD2-CB 4.13Å; L831-H964 VanDerWaalsContact CD2-ND1 3.29Å; L831-H964 WeakPolarHBondContact CD2-ND1 3.39Å; L831-D966 HydrophobicContact CD1-CB 4.48Å; L831-V969 HydrophobicContact CD1-CG1 3.51Å; L831-V971 HydrophobicContact CB-CB 4.01Å; L831-V971 HydrophobicContact CB-CG2 3.85Å; L831-V971 HydrophobicContact CD1-CB 4.46Å; L831-V971 HydrophobicContact CD1-CG2 3.76Å; L831-V971 HydrophobicContact CG-CG2 4.48Å
832G91.3Very high89.2Confident0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-60.6-39.5174.800000113.4V828 E830 I835 R836V828-G832 PolarHBondContact O-N 3.36Å; E830-G832 VanDerWaalsContact C-N 3.34Å; E830-G832 PolarHBondContact O-N 3.48Å; G832-I835 PolarHBondContact O-N 2.7Å; G832-R836 PolarHBondContact O-N 3.43Å; G832-R836 VanDerWaalsContact O-N 3.09Å
833R91.1Very high88.6Confident61 Ų6147.8 Ų47.823%0.2325%0.252CS..Hα-helixtrans-66.1-42.2174.7-74.9172.4-179174.16.1111.9R736 I829 E830 L831 I835 R836 D837 E873 L874R736-R833 VanDerWaalsContact CZ-NH2 3.32Å; I829-R833 WeakPolarHBondContact O-CB 3.27Å; I829-R833 VanDerWaalsContact O-CG 3.28Å; I829-R833 WeakPolarHBondContact O-CG 3.36Å; I829-R833 PolarHBondContact O-N 3.16Å; E830-R833 PolarHBondContact O-N 3.03Å; E830-R833 VanDerWaalsContact O-N 3.17Å; L831-R833 VanDerWaalsContact C-N 3.35Å; L831-R833 PolarHBondContact O-N 3.35Å; R833-I835 VanDerWaalsContact C-N 3.31Å; R833-I835 PolarHBondContact O-N 3.37Å; R833-R836 WeakPolarHBondContact O-CB 3Å; R833-R836 PolarHBondContact O-N 2.89Å; R833-D837 PolarHBondContact O-N 3.31Å; R833-E873 IonicContact CZ-OE2 2.69Å; R833-E873 IonicContact NH2-OE2 3.01Å; R833-E873 PolarHBondContact NH2-OE2 3.16Å; R833-L874 HydrophobicContact CG-CD2 4.1Å
834V90Very high87.9Confident64 Ų6447.8 Ų47.839%0.38824%0.244SC..Hα-helixtrans-61.6-40.7176.2175.60000111.1E830 L831 R836 D837 R838 H964E830-V834 WeakPolarHBondContact O-CG2 3.37Å; E830-V834 PolarHBondContact O-N 3.38Å; L831-V834 PolarHBondContact O-N 3.44Å; V834-R836 VanDerWaalsContact C-N 3.35Å; V834-D837 PolarHBondContact O-N 2.83Å; V834-R838 WeakPolarHBondContact O-CB 3.1Å; V834-R838 PolarHBondContact O-N 3.14Å; V834-H964 WeakPolarHBondContact CG1-CD2 3.48Å
835I88.3Confident87.3Confident1 Ų147.8 Ų47.81%0.00524%0.243CC..Hα-helixtrans-60.2-46.7175.3-66.2162.1000110.6L831 G832 R833 R838 K839 E962 H964 V971 L973L831-I835 VanDerWaalsContact O-CG1 3.31Å; L831-I835 WeakPolarHBondContact O-CG1 3Å; L831-I835 PolarHBondContact O-N 2.93Å; G832-I835 PolarHBondContact O-N 2.7Å; R833-I835 VanDerWaalsContact C-N 3.31Å; R833-I835 PolarHBondContact O-N 3.37Å; I835-R838 PolarHBondContact O-N 3.07Å; I835-K839 PolarHBondContact O-N 2.92Å; I835-K839 VanDerWaalsContact O-N 3.12Å; I835-E962 HydrophobicContact CG2-CB 3.44Å; I835-E962 VanDerWaalsContact CG2-CB 3.44Å; I835-H964 HydrophobicContact CD1-CB 3.84Å; I835-H964 HydrophobicContact CG1-CB 3.59Å; I835-V971 HydrophobicContact CD1-CB 4.39Å; I835-V971 HydrophobicContact CD1-CG1 4.12Å; I835-V971 WeakPolarHBondContact CD1-O 3.4Å; I835-L973 HydrophobicContact CB-CB 4.41Å; I835-L973 HydrophobicContact CB-CD2 4.26Å; I835-L973 HydrophobicContact CD1-CB 4.16Å; I835-L973 HydrophobicContact CG2-CB 3.79Å; I835-L973 HydrophobicContact CG2-CD2 3.95Å
836R88.9Confident86.9Confident1 Ų148.1 Ų48.10%0.00425%0.245CC..Hα-helixtrans-59.6-48.7176.4-82.3-171.9155.8161.4-0.2113G832 R833 V834 R838 K839 T840 L841 Y845 L847 L874 N875 L973G832-R836 PolarHBondContact O-N 3.43Å; G832-R836 VanDerWaalsContact O-N 3.09Å; R833-R836 WeakPolarHBondContact O-CB 3Å; R833-R836 PolarHBondContact O-N 2.89Å; V834-R836 VanDerWaalsContact C-N 3.35Å; R836-R838 VanDerWaalsContact C-N 3.3Å; R836-R838 PolarHBondContact O-N 2.93Å; R836-K839 CarbonylContact O-C 3.6Å; R836-K839 PolarHBondContact O-N 3.35Å; R836-K839 VanDerWaalsContact O-N 3.16Å; R836-T840 PolarHBondContact O-N 2.75Å; R836-L841 HydrophobicContact CB-CB 4.34Å; R836-L841 HydrophobicContact CG-CB 4.25Å; R836-L841 PolarHBondContact O-N 3.47Å; R836-Y845 PolarHBondContact NH2-O 3.02Å; R836-L847 HydrophobicContact CG-CD1 4.22Å; R836-L874 VanDerWaalsContact NH1-C 3.3Å; R836-L874 PolarHBondContact NH1-O 2.88Å; R836-L874 PolarHBondContact NH2-O 3.35Å; R836-N875 PolarHBondContact NH2-O 2.78Å; R836-N875 VanDerWaalsContact NH2-O 3.15Å; R836-L973 HydrophobicContact CG-CD2 3.6Å
837D86.8Confident86.6Confident120 Ų12047.9 Ų47.964%0.64224%0.244SC*.Hα-helixtrans-62.6-40.6-179.3-73.5-14.7000111R833 V834 K839 T840R833-D837 PolarHBondContact O-N 3.31Å; V834-D837 PolarHBondContact O-N 2.83Å; D837-K839 VanDerWaalsContact C-N 3.29Å; D837-K839 PolarHBondContact O-N 3.44Å; D837-T840 PolarHBondContact O-N 3.15Å
838R84.9Confident86.5Confident124 Ų12450 Ų5047%0.46825%0.249SC..Hα-helixtrans-60.3-37.1175.7-173.8-173.4-65.6171-2.1112.5V834 I835 R836 T840 A963 H964V834-R838 WeakPolarHBondContact O-CB 3.1Å; V834-R838 PolarHBondContact O-N 3.14Å; I835-R838 PolarHBondContact O-N 3.07Å; R836-R838 VanDerWaalsContact C-N 3.3Å; R836-R838 PolarHBondContact O-N 2.93Å; R838-T840 VanDerWaalsContact C-N 3.34Å; R838-A963 PolarHBondContact NH1-O 3.39Å; R838-H964 PolarHBondContact NH2-CD2 3.2Å; R838-H964 PolarHBondContact NH2-NE2 2.81Å; R838-H964 VanDerWaalsContact NH2-NE2 3.14Å
839K83.5Confident86.4Confident95 Ų9551.2 Ų51.241%0.41326%0.255SS..THydrogen-bonded Turntrans-90.14175-70.6-61.7-171-179.30114I835 R836 D837 L841 E962 V975I835-K839 PolarHBondContact O-N 2.92Å; I835-K839 VanDerWaalsContact O-N 3.12Å; R836-K839 CarbonylContact O-C 3.6Å; R836-K839 PolarHBondContact O-N 3.35Å; R836-K839 VanDerWaalsContact O-N 3.16Å; D837-K839 VanDerWaalsContact C-N 3.29Å; D837-K839 PolarHBondContact O-N 3.44Å; K839-L841 HydrophobicContact CB-CD1 3.83Å; K839-L841 HydrophobicContact CB-CG 3.77Å; K839-L841 PolarHBondContact O-N 2.81Å; K839-E962 HydrophobicContact CD-CG 4.28Å; K839-E962 WeakPolarHBondContact CE-OE1 3.37Å; K839-E962 HydrophobicContact CG-CG 4.01Å; K839-E962 IonicContact NZ-OE1 2.72Å; K839-E962 PolarHBondContact NZ-OE1 3.24Å; K839-V975 HydrophobicContact CG-CG1 4.47Å
840T84.5Confident86.5Confident122 Ų12251.2 Ų51.275%0.74826%0.255SS*.THydrogen-bonded Turntrans54.635.5-176.2-32.40000112.2R836 D837 R838 P842R836-T840 PolarHBondContact O-N 2.75Å; D837-T840 PolarHBondContact O-N 3.15Å; R838-T840 VanDerWaalsContact C-N 3.34Å; T840-P842 VanDerWaalsContact O-CD 3.32Å; T840-P842 WeakPolarHBondContact O-CD 3.36Å
841L82.7Confident86.4Confident47 Ų4746.6 Ų46.625%0.24623%0.234CC..  trans-92.1111.9-179.5-68.1174.4000110.4R836 K839 L847 V975R836-L841 HydrophobicContact CB-CB 4.34Å; R836-L841 HydrophobicContact CG-CB 4.25Å; R836-L841 PolarHBondContact O-N 3.47Å; K839-L841 HydrophobicContact CB-CD1 3.83Å; K839-L841 HydrophobicContact CB-CG 3.77Å; K839-L841 PolarHBondContact O-N 2.81Å; L841-L847 HydrophobicContact CD1-CD2 4.5Å; L841-V975 HydrophobicContact CD1-CB 3.87Å; L841-V975 HydrophobicContact CD1-CG1 3.53Å
842P79.6Confident86.4Confident60 Ų6046 Ų4639%0.3923%0.23SC..  trans-68139-178.7-2134.6000111.8T840 K844 Y845T840-P842 VanDerWaalsContact O-CD 3.32Å; T840-P842 WeakPolarHBondContact O-CD 3.36Å; P842-K844 PolarHBondContact O-N 2.96Å; P842-Y845 HydrophobicContact CB-CD2 3.68Å; P842-Y845 HydrophobicContact CB-CE2 3.8Å; P842-Y845 HydrophobicContact CG-CD2 3.82Å; P842-Y845 HydrophobicContact CG-CE2 3.63Å; P842-Y845 WeakPolarHBondContact O-CD2 3.29Å; P842-Y845 PolarHBondContact O-N 2.98Å
843V81.1Confident86.2Confident63 Ų6346.4 Ų46.438%0.38223%0.233SC..THydrogen-bonded Turntrans-55.2-24.9-1791720000113.6Y845 N875V843-Y845 PolarHBondContact O-N 3.25Å; V843-N875 HydrophobicContact CG1-CB 4.49Å; V843-N875 WeakPolarHBondContact O-CB 3.43Å; V843-N875 PolarHBondContact O-ND2 3.34Å
844K76.4Confident86Confident62 Ų6244.5 Ų44.527%0.2723%0.226SC..THydrogen-bonded Turntrans-62.9-28.2178.8-63.6177.3-176.5173.20113.2P842 P846 N875 R988 E989 N992P842-K844 PolarHBondContact O-N 2.96Å; K844-P846 WeakPolarHBondContact O-CD 3.43Å; K844-N875 PolarHBondContact O-ND2 2.93Å; K844-R988 HydrophobicContact CB-CB 4.39Å; K844-R988 WeakPolarHBondContact O-CD 3.42Å; K844-R988 PolarHBondContact O-NH1 2.59Å; K844-E989 HydrophobicContact CD-CG 3.99Å; K844-E989 IonicContact NZ-OE1 3.54Å; K844-N992 PolarHBondContact NZ-ND2 2.94Å; K844-N992 VanDerWaalsContact NZ-ND2 3.19Å
845Y79Confident85.5Confident26 Ų2648.3 Ų48.310%0.10224%0.24CC..SBendtrans-79.3117.2177.6-65.2-82.7000109.1R836 P842 V843 N875 V982 K1061R836-Y845 PolarHBondContact NH2-O 3.02Å; P842-Y845 HydrophobicContact CB-CD2 3.68Å; P842-Y845 HydrophobicContact CB-CE2 3.8Å; P842-Y845 HydrophobicContact CG-CD2 3.82Å; P842-Y845 HydrophobicContact CG-CE2 3.63Å; P842-Y845 WeakPolarHBondContact O-CD2 3.29Å; P842-Y845 PolarHBondContact O-N 2.98Å; V843-Y845 PolarHBondContact O-N 3.25Å; Y845-N875 PolarHBondContact O-ND2 3.46Å; Y845-V982 HydrophobicContact CE1-CB 4.49Å; Y845-V982 HydrophobicContact CE1-CG1 4.13Å; Y845-K1061 WeakPolarHBondContact OH-CE 3.22Å; Y845-K1061 PolarHBondContact OH-NZ 2.9Å
846P83.5Confident85.2Confident6 Ų651.5 Ų51.54%0.03926%0.257CS..  trans-62.3143.8174.225.2-29.2000109.5K844 N875 M981K844-P846 WeakPolarHBondContact O-CD 3.43Å; P846-N875 VanDerWaalsContact CA-ND2 3.26Å; P846-N875 WeakPolarHBondContact CA-ND2 3.47Å; P846-N875 VanDerWaalsContact CA-O 3.28Å; P846-N875 WeakPolarHBondContact CA-O 3.3Å; P846-N875 VanDerWaalsContact N-ND2 3.11Å; P846-M981 WeakPolarHBondContact CD-O 3.44Å; P846-M981 HydrophobicContact CG-CB 3.84Å; P846-M981 HydrophobicContact CG-CG 3.97Å
847L87.5Confident85Confident13 Ų1355.7 Ų55.77%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-112.6160.1172.1-63.8176000109.9R836 L841 N875 V876 R877 L973R836-L847 HydrophobicContact CG-CD1 4.22Å; L841-L847 HydrophobicContact CD1-CD2 4.5Å; L847-N875 PolarHBondContact N-O 2.95Å; L847-V876 HydrophobicContact CB-CG2 4.33Å; L847-V876 WeakPolarHBondContact O-CA 3.43Å; L847-R877 PolarHBondContact O-N 2.94Å; L847-L973 HydrophobicContact CD1-CD1 4Å; L847-L973 HydrophobicContact CD1-CD2 3.42Å; L847-L973 VanDerWaalsContact CD1-CD2 3.42Å; L847-L973 HydrophobicContact CD1-CG 3.61Å
848K87.8Confident84.9Confident74 Ų7455.6 Ų55.632%0.32228%0.28SS..EExtended strand (participates in β ladder)trans-69-58.4-174.3-69.2176.4-176.9175.40111.6R877 Q878 D974 M981K848-R877 WeakPolarHBondContact O-CB 3.44Å; K848-R877 PolarHBondContact O-N 3.35Å; K848-Q878 PolarHBondContact O-N 3.31Å; K848-Q878 VanDerWaalsContact O-N 3.11Å; K848-D974 HydrophobicContact CB-CB 4.21Å; K848-M981 HydrophobicContact CB-CE 4.36Å; K848-M981 HydrophobicContact CG-CE 3.45Å; K848-M981 VanDerWaalsContact CG-CE 3.45Å; K848-M981 HydrophobicContact CG-SD 4.14Å
849E91.4Very high84.9Confident26 Ų2649.7 Ų49.712%0.12126%0.258CS..EExtended strand (participates in β ladder)trans-146.1144.8-166.9-173.2-177.2-143.100111.4V851 V876 Q878 T880 Y961 D974E849-V851 HydrophobicContact CG-CG2 4.09Å; E849-V876 VanDerWaalsContact CA-CG1 3.47Å; E849-Q878 WeakPolarHBondContact CA-O 3.22Å; E849-Q878 HydrophobicContact CG-CB 4.43Å; E849-Q878 HydrophobicContact CG-CG 4.49Å; E849-T880 WeakPolarHBondContact OE1-CB 3.46Å; E849-T880 PolarHBondContact OE1-OG1 2.9Å; E849-Y961 PolarHBondContact OE2-OH 2.78Å; E849-D974 HydrophobicContact CB-CB 4.29Å; E849-D974 PolarHBondContact O-N 2.84Å
850V93.8Very high85.1Confident0 Ų046 Ų460%024%0.243CC..EExtended strand (participates in β ladder)trans-118125.1163.858.50000107.5V852 I870 L874 V876 Q878 L879 T880 V971 L972 L973V850-V852 HydrophobicContact CG2-CG2 4.4Å; V850-I870 HydrophobicContact CG1-CG2 4.34Å; V850-L874 HydrophobicContact CG2-CD1 4.19Å; V850-V876 HydrophobicContact CB-CG1 4.21Å; V850-V876 HydrophobicContact CB-CG2 4.41Å; V850-V876 HydrophobicContact CG1-CB 4.32Å; V850-V876 HydrophobicContact CG1-CG1 4.1Å; V850-V876 HydrophobicContact CG1-CG2 4.43Å; V850-Q878 PolarHBondContact N-O 3.16Å; V850-L879 HydrophobicContact CG1-CB 4.36Å; V850-L879 HydrophobicContact CG1-CD1 3.8Å; V850-L879 WeakPolarHBondContact O-CA 3.25Å; V850-T880 PolarHBondContact O-N 2.8Å; V850-V971 HydrophobicContact CG2-CG1 3.64Å; V850-L972 CarbonylContact C-O 3.59Å; V850-L972 VanDerWaalsContact CA-O 3.32Å; V850-L972 WeakPolarHBondContact CA-O 3.27Å; V850-L973 HydrophobicContact CB-CD1 3.92Å; V850-L973 HydrophobicContact CG2-CD1 4.21Å
851V91.4Very high85.4Confident0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-104.3126.5175.3-171.70000108.4E849 I853 T880 Y888 Y961 V971 L972E849-V851 HydrophobicContact CG-CG2 4.09Å; V851-I853 HydrophobicContact CG1-CG1 4.16Å; V851-T880 CarbonylContact C-O 3.48Å; V851-T880 WeakPolarHBondContact CA-O 3.49Å; V851-T880 HydrophobicContact CG1-CG2 4.2Å; V851-Y888 HydrophobicContact CG1-CE1 4.08Å; V851-Y888 HydrophobicContact CG1-CE2 4.02Å; V851-Y888 HydrophobicContact CG2-CE1 4.09Å; V851-Y961 HydrophobicContact CG2-CE1 3.97Å; V851-V971 CarbonylContact O-C 3.58Å; V851-V971 WeakPolarHBondContact O-CA 3.48Å; V851-L972 HydrophobicContact CB-CB 4Å; V851-L972 HydrophobicContact CB-CD1 4.03Å; V851-L972 HydrophobicContact CB-CG 4.44Å; V851-L972 HydrophobicContact CG1-CD1 4.23Å; V851-L972 HydrophobicContact CG2-CB 4.46Å; V851-L972 PolarHBondContact N-O 3.43Å; V851-L972 PolarHBondContact O-N 3.37Å
852V90.6Very high85.7Confident0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-111.8123.9176.6-177.50000108.8V828 V850 I863 L879 T880 L881 S882 V969 V971V828-V852 HydrophobicContact CB-CG2 4.45Å; V828-V852 HydrophobicContact CG1-CG2 3.58Å; V828-V852 HydrophobicContact CG2-CG1 3.77Å; V828-V852 HydrophobicContact CG2-CG2 3.93Å; V850-V852 HydrophobicContact CG2-CG2 4.4Å; V852-I863 HydrophobicContact CG1-CD1 4.04Å; V852-L879 HydrophobicContact CB-CD1 4.39Å; V852-L879 HydrophobicContact CG2-CD1 3.61Å; V852-T880 PolarHBondContact N-O 2.77Å; V852-L881 HydrophobicContact CB-CD2 3.77Å; V852-L881 HydrophobicContact CG1-CD2 4.48Å; V852-L881 HydrophobicContact CG2-CD2 4.37Å; V852-L881 WeakPolarHBondContact O-CA 3.21Å; V852-S882 PolarHBondContact O-N 2.89Å; V852-V969 HydrophobicContact CG1-CG2 3.4Å; V852-V969 VanDerWaalsContact CG1-CG2 3.4Å; V852-V971 HydrophobicContact CG2-CG2 4.47Å
853I87.4Confident86.2Confident10 Ų1043 Ų435%0.05121%0.212CC..EExtended strand (participates in β ladder)trans-113121.7-179.5-49.6-174000108.9V851 S882 K885 Y888 I890 L970 L972V851-I853 HydrophobicContact CG1-CG1 4.16Å; I853-S882 VanDerWaalsContact CA-O 3.23Å; I853-S882 WeakPolarHBondContact CA-O 3.5Å; I853-K885 HydrophobicContact CG2-CB 4.29Å; I853-Y888 HydrophobicContact CD1-CD2 3.56Å; I853-Y888 HydrophobicContact CD1-CE2 4.01Å; I853-Y888 HydrophobicContact CD1-CG 4.28Å; I853-I890 HydrophobicContact CD1-CD1 4.26Å; I853-L970 HydrophobicContact CB-CB 4.17Å; I853-L970 HydrophobicContact CB-CD2 4.26Å; I853-L970 HydrophobicContact CB-CG 4.37Å; I853-L970 HydrophobicContact CD1-CD2 4.1Å; I853-L970 PolarHBondContact N-O 3.47Å; I853-L970 PolarHBondContact O-N 3.24Å; I853-L972 HydrophobicContact CD1-CD1 3.83Å
854H85.9Confident86.8Confident20 Ų2043.9 Ų43.99%0.09321%0.212CC..EExtended strand (participates in β ladder)trans-141.5144.4178.9-163-86.3000110.2D856 A859 L860 S882 Q968H854-D856 WeakPolarHBondContact ND1-CB 3.43Å; H854-D856 PolarHBondContact ND1-N 3.46Å; H854-D856 PolarHBondContact ND1-O 3Å; H854-A859 VanDerWaalsContact CE1-CB 3.43Å; H854-A859 WeakPolarHBondContact CE1-CB 3.49Å; H854-A859 WeakPolarHBondContact ND1-CB 3.24Å; H854-L860 HydrophobicContact CB-CD2 3.57Å; H854-L860 HydrophobicContact CB-CG 3.99Å; H854-S882 PolarHBondContact N-O 2.87Å; H854-Q968 PolarHBondContact CD2-O 3.19Å; H854-Q968 PolarHBondContact NE2-O 3.3Å
855Q80.1Confident87.5Confident144 Ų14444.1 Ų44.167%0.67322%0.221SC*.SBendtrans-76.7-33.8-177.2-65.3-172.97.300112.8P857Q855-P857 WeakPolarHBondContact O-CD 3.11Å
856D82.1Confident88.2Confident68 Ų6842.9 Ų42.936%0.36422%0.217SC..  trans-83.3118.8177.8177.318.4000111.5H854 E858 A859 L860H854-D856 WeakPolarHBondContact ND1-CB 3.43Å; H854-D856 PolarHBondContact ND1-N 3.46Å; H854-D856 PolarHBondContact ND1-O 3Å; D856-E858 VanDerWaalsContact C-N 3.29Å; D856-E858 PolarHBondContact O-N 2.88Å; D856-E858 PolarHBondContact OD1-N 2.8Å; D856-A859 HydrophobicContact CB-CB 4.08Å; D856-A859 PolarHBondContact O-N 2.78Å; D856-A859 PolarHBondContact OD2-N 2.77Å; D856-L860 PolarHBondContact O-N 3.13Å
857P84.2Confident88.6Confident89 Ų8945.5 Ų45.558%0.57823%0.228SC*.Hα-helixtrans-63.6-28.4175-21.634.2000114.2Q855 L860 K861Q855-P857 WeakPolarHBondContact O-CD 3.11Å; P857-L860 PolarHBondContact O-N 2.9Å; P857-K861 PolarHBondContact O-N 3.49Å; P857-K861 VanDerWaalsContact O-N 3.14Å
858E85.4Confident88.8Confident118 Ų11851.3 Ų51.355%0.55125%0.253SS*.Hα-helixtrans-69.3-43.2178.2-68.2-153.1129.200111.3D856 L860 K861 D862D856-E858 VanDerWaalsContact C-N 3.29Å; D856-E858 PolarHBondContact O-N 2.88Å; D856-E858 PolarHBondContact OD1-N 2.8Å; E858-L860 VanDerWaalsContact C-N 3.29Å; E858-L860 PolarHBondContact O-N 3.02Å; E858-K861 WeakPolarHBondContact O-CB 3.22Å; E858-K861 PolarHBondContact O-N 3.39Å; E858-K861 VanDerWaalsContact O-N 3.07Å; E858-D862 PolarHBondContact O-N 3.25Å
859A84.9Confident89Confident1 Ų149.1 Ų49.11%0.00824%0.243CC..Hα-helixtrans-56.6-40.8172.100000112.7Q824 H854 D856 K861 D862 I863Q824-A859 VanDerWaalsContact NE2-CB 3.32Å; Q824-A859 PolarHBondContact OE1-O 3.3Å; H854-A859 VanDerWaalsContact CE1-CB 3.43Å; H854-A859 WeakPolarHBondContact CE1-CB 3.49Å; H854-A859 WeakPolarHBondContact ND1-CB 3.24Å; D856-A859 HydrophobicContact CB-CB 4.08Å; D856-A859 PolarHBondContact O-N 2.78Å; D856-A859 PolarHBondContact OD2-N 2.77Å; A859-K861 VanDerWaalsContact C-N 3.33Å; A859-K861 PolarHBondContact O-N 3.01Å; A859-D862 PolarHBondContact O-N 3.02Å; A859-I863 WeakPolarHBondContact O-CB 3.4Å; A859-I863 VanDerWaalsContact O-CG1 3.24Å; A859-I863 WeakPolarHBondContact O-CG1 3.44Å; A859-I863 PolarHBondContact O-N 2.92Å
860L88.8Confident89.1Confident17 Ų1747.9 Ų47.99%0.08924%0.237CC..Hα-helixtrans-62.3-41.2174.9-68178.7000111.6H854 D856 P857 E858 D862 I863 Q864 L881 T883H854-L860 HydrophobicContact CB-CD2 3.57Å; H854-L860 HydrophobicContact CB-CG 3.99Å; D856-L860 PolarHBondContact O-N 3.13Å; P857-L860 PolarHBondContact O-N 2.9Å; E858-L860 VanDerWaalsContact C-N 3.29Å; E858-L860 PolarHBondContact O-N 3.02Å; L860-D862 VanDerWaalsContact C-N 3.34Å; L860-D862 PolarHBondContact O-N 3.01Å; L860-I863 PolarHBondContact O-N 3Å; L860-Q864 WeakPolarHBondContact O-CB 3.19Å; L860-Q864 PolarHBondContact O-N 2.94Å; L860-L881 HydrophobicContact CB-CD1 4.18Å; L860-L881 HydrophobicContact CD2-CB 4.15Å; L860-L881 HydrophobicContact CD2-CD2 4.24Å; L860-L881 WeakPolarHBondContact O-CD1 3.37Å; L860-T883 HydrophobicContact CD1-CG2 3.58Å
861K89.5Confident89.1Confident146 Ų14649.4 Ų49.464%0.63525%0.245SC*.Hα-helixtrans-63.9-40.5176.6-170.8-178.3179.9-177.80112P857 E858 A859 Q864 S865P857-K861 PolarHBondContact O-N 3.49Å; P857-K861 VanDerWaalsContact O-N 3.14Å; E858-K861 WeakPolarHBondContact O-CB 3.22Å; E858-K861 PolarHBondContact O-N 3.39Å; E858-K861 VanDerWaalsContact O-N 3.07Å; A859-K861 VanDerWaalsContact C-N 3.33Å; A859-K861 PolarHBondContact O-N 3.01Å; K861-Q864 WeakPolarHBondContact O-CB 3.27Å; K861-Q864 PolarHBondContact O-N 2.75Å; K861-S865 PolarHBondContact O-N 3.27Å; K861-S865 VanDerWaalsContact O-N 3.11Å
862D89.5Confident89Confident20 Ų2054 Ų5411%0.10727%0.266CS..Hα-helixtrans-65.9-43.2177.3-74.90.8000110.7R817 A821 E858 A859 L860 Q864 S865R817-D862 IonicContact CZ-OD1 2.67Å; R817-D862 IonicContact NE-OD1 3.06Å; R817-D862 PolarHBondContact NE-OD1 3.3Å; R817-D862 IonicContact NE-OD2 3.61Å; R817-D862 IonicContact NH2-OD1 3.11Å; R817-D862 PolarHBondContact NH2-OD1 3.04Å; A821-D862 HydrophobicContact CB-CB 3.72Å; E858-D862 PolarHBondContact O-N 3.25Å; A859-D862 PolarHBondContact O-N 3.02Å; L860-D862 VanDerWaalsContact C-N 3.34Å; L860-D862 PolarHBondContact O-N 3.01Å; D862-Q864 PolarHBondContact O-N 3.38Å; D862-S865 WeakPolarHBondContact O-CB 3.49Å; D862-S865 PolarHBondContact O-N 2.6Å; D862-S865 PolarHBondContact O-OG 3.17Å
863I90.8Very high89Confident0 Ų055 Ų550%027%0.272CS..Hα-helixtrans-60.5-43.6172.7-68.9167.4000111.4Q824 V828 V852 A859 L860 S865 L866 E867 I870 L879 L881Q824-I863 HydrophobicContact CB-CD1 4.21Å; Q824-I863 HydrophobicContact CB-CG1 3.94Å; V828-I863 HydrophobicContact CG2-CD1 4.23Å; V852-I863 HydrophobicContact CG1-CD1 4.04Å; A859-I863 WeakPolarHBondContact O-CB 3.4Å; A859-I863 VanDerWaalsContact O-CG1 3.24Å; A859-I863 WeakPolarHBondContact O-CG1 3.44Å; A859-I863 PolarHBondContact O-N 2.92Å; L860-I863 PolarHBondContact O-N 3Å; I863-S865 VanDerWaalsContact C-N 3.26Å; I863-S865 PolarHBondContact O-N 3.27Å; I863-L866 CarbonylContact O-C 3.52Å; I863-L866 PolarHBondContact O-N 2.91Å; I863-E867 PolarHBondContact O-N 3.47Å; I863-I870 HydrophobicContact CG2-CD1 3.63Å; I863-L879 HydrophobicContact CG2-CD2 4.27Å; I863-L881 HydrophobicContact CG2-CD2 3.92Å
864Q92.7Very high89.1Confident81 Ų8154.6 Ų54.638%0.37927%0.269SS..Hα-helixtrans-58.6-38.8177.1-170.667.949.300111.6L860 K861 D862 L866 E867 L881L860-Q864 WeakPolarHBondContact O-CB 3.19Å; L860-Q864 PolarHBondContact O-N 2.94Å; K861-Q864 WeakPolarHBondContact O-CB 3.27Å; K861-Q864 PolarHBondContact O-N 2.75Å; D862-Q864 PolarHBondContact O-N 3.38Å; Q864-L866 PolarHBondContact O-N 3.05Å; Q864-L866 VanDerWaalsContact O-N 3.16Å; Q864-E867 PolarHBondContact NE2-OE2 3.28Å; Q864-E867 VanDerWaalsContact O-CB 3.28Å; Q864-E867 WeakPolarHBondContact O-CB 3.31Å; Q864-E867 PolarHBondContact O-N 3.18Å; Q864-E867 VanDerWaalsContact O-N 3.16Å; Q864-L881 HydrophobicContact CB-CD1 3.73Å; Q864-L881 HydrophobicContact CG-CD1 4.4Å
865S91Very high89.2Confident67 Ų6754.7 Ų54.747%0.46927%0.27SS..Hα-helixtrans-63.2-20.7178.979.80000113.5K861 D862 I863K861-S865 PolarHBondContact O-N 3.27Å; K861-S865 VanDerWaalsContact O-N 3.11Å; D862-S865 WeakPolarHBondContact O-CB 3.49Å; D862-S865 PolarHBondContact O-N 2.6Å; D862-S865 PolarHBondContact O-OG 3.17Å; I863-S865 VanDerWaalsContact C-N 3.26Å; I863-S865 PolarHBondContact O-N 3.27Å
866L93.1Very high89.7Confident1 Ų148.2 Ų48.21%0.00524%0.241CC..THydrogen-bonded Turntrans-11011.5-179.4-66.3171.2000112.9I691 A821 V822 M825 I863 Q864 K868 Y869 I870I691-L866 HydrophobicContact CB-CD2 4.44Å; I691-L866 HydrophobicContact CG2-CD2 3.81Å; A821-L866 HydrophobicContact CB-CD1 4.11Å; A821-L866 WeakPolarHBondContact O-CD1 3.37Å; V822-L866 HydrophobicContact CG2-CD1 3.9Å; M825-L866 HydrophobicContact CB-CB 4.27Å; M825-L866 HydrophobicContact CB-CD1 3.78Å; M825-L866 HydrophobicContact CG-CB 4.01Å; M825-L866 HydrophobicContact CG-CD1 4.27Å; M825-L866 HydrophobicContact SD-CB 3.74Å; M825-L866 HydrophobicContact SD-CD1 3.95Å; M825-L866 HydrophobicContact SD-CD2 4.28Å; M825-L866 HydrophobicContact SD-CG 4.21Å; I863-L866 CarbonylContact O-C 3.52Å; I863-L866 PolarHBondContact O-N 2.91Å; Q864-L866 PolarHBondContact O-N 3.05Å; Q864-L866 VanDerWaalsContact O-N 3.16Å; L866-K868 VanDerWaalsContact C-N 3.25Å; L866-K868 PolarHBondContact O-N 3.37Å; L866-K868 VanDerWaalsContact O-N 3.13Å; L866-Y869 HydrophobicContact CB-CD2 4.35Å; L866-Y869 HydrophobicContact CD2-CD2 3.78Å; L866-Y869 HydrophobicContact CD2-CE2 3.91Å; L866-Y869 PolarHBondContact O-N 2.88Å; L866-I870 PolarHBondContact O-N 3.12Å
867E93.6Very high90Very high61 Ų6151.5 Ų51.529%0.28525%0.248SC..Hα-helixtrans-47.1-46.3-176.6172.1178.2-157.700112.9I863 Q864 Y869 I870 L871 L879I863-E867 PolarHBondContact O-N 3.47Å; Q864-E867 PolarHBondContact NE2-OE2 3.28Å; Q864-E867 VanDerWaalsContact O-CB 3.28Å; Q864-E867 WeakPolarHBondContact O-CB 3.31Å; Q864-E867 PolarHBondContact O-N 3.18Å; Q864-E867 VanDerWaalsContact O-N 3.16Å; E867-Y869 PolarHBondContact O-N 2.96Å; E867-I870 WeakPolarHBondContact O-CB 3.44Å; E867-I870 PolarHBondContact O-N 3.02Å; E867-L871 HydrophobicContact CG-CD1 3.7Å; E867-L871 HydrophobicContact CG-CG 3.96Å; E867-L871 WeakPolarHBondContact O-CG 3.47Å; E867-L871 PolarHBondContact O-N 2.94Å; E867-L879 HydrophobicContact CB-CD2 3.8Å; E867-L879 HydrophobicContact CG-CB 3.97Å; E867-L879 HydrophobicContact CG-CD2 3.76Å
868K91.9Very high90.4Very high134 Ų13452.2 Ų52.258%0.58324%0.244SC*.Hα-helixtrans-52.2-44.3-179-178.9-177.9175-177.20112.2L866 E872L866-K868 VanDerWaalsContact C-N 3.25Å; L866-K868 PolarHBondContact O-N 3.37Å; L866-K868 VanDerWaalsContact O-N 3.13Å; K868-E872 WeakPolarHBondContact CE-OE1 3.4Å; K868-E872 WeakPolarHBondContact O-CB 3.3Å; K868-E872 VanDerWaalsContact O-CG 3.31Å; K868-E872 WeakPolarHBondContact O-CG 3.37Å; K868-E872 PolarHBondContact O-N 3.31Å
869Y91.8Very high90.8Very high28 Ų2847.1 Ų47.111%0.1122%0.22CC..Hα-helixtrans-69.6-37-179-61.9-72.8000111.6M692 T737 M825 L866 E867 E873M692-Y869 HydrophobicContact CG-CE1 3.84Å; M692-Y869 HydrophobicContact CG-CE2 3.86Å; M692-Y869 VanDerWaalsContact CG-CZ 3.42Å; M692-Y869 WeakPolarHBondContact CG-OH 3.29Å; M692-Y869 HydrophobicContact SD-CE2 4.39Å; T737-Y869 HydrophobicContact CG2-CD1 4.18Å; M825-Y869 VanDerWaalsContact SD-CB 3.53Å; M825-Y869 HydrophobicContact SD-CD2 4.21Å; M825-Y869 HydrophobicContact SD-CG 4.14Å; L866-Y869 HydrophobicContact CB-CD2 4.35Å; L866-Y869 HydrophobicContact CD2-CD2 3.78Å; L866-Y869 HydrophobicContact CD2-CE2 3.91Å; L866-Y869 PolarHBondContact O-N 2.88Å; E867-Y869 PolarHBondContact O-N 2.96Å; Y869-E873 VanDerWaalsContact O-CB 3.23Å; Y869-E873 WeakPolarHBondContact O-CB 3.41Å; Y869-E873 WeakPolarHBondContact O-CG 3.45Å; Y869-E873 PolarHBondContact O-N 3.32Å
870I92.8Very high91.2Very high0 Ų048.4 Ų48.40%023%0.228CC..Hα-helixtrans-64.5-49.1177-59.7172.7000110.1M825 V828 I829 V850 I863 L866 E867 E872 E873 L874 L879M825-I870 HydrophobicContact CG-CD1 4.05Å; M825-I870 HydrophobicContact CG-CG1 3.58Å; V828-I870 HydrophobicContact CG1-CD1 4.28Å; V828-I870 HydrophobicContact CG1-CG2 3.89Å; I829-I870 HydrophobicContact CD1-CG1 4.33Å; I829-I870 HydrophobicContact CG1-CG1 4.31Å; I829-I870 HydrophobicContact CG1-CG2 4.47Å; V850-I870 HydrophobicContact CG1-CG2 4.34Å; I863-I870 HydrophobicContact CG2-CD1 3.63Å; L866-I870 PolarHBondContact O-N 3.12Å; E867-I870 WeakPolarHBondContact O-CB 3.44Å; E867-I870 PolarHBondContact O-N 3.02Å; I870-E872 PolarHBondContact O-N 3.39Å; I870-E873 PolarHBondContact O-N 3.19Å; I870-L874 HydrophobicContact CG2-CD1 3.97Å; I870-L874 VanDerWaalsContact O-CB 3.3Å; I870-L874 WeakPolarHBondContact O-CB 3.4Å; I870-L874 PolarHBondContact O-N 2.93Å; I870-L879 HydrophobicContact CD1-CD2 4.13Å
871L92.9Very high91.3Very high33 Ų3349.7 Ų49.717%0.17324%0.235CC..Hα-helixtrans-63-41.8179.6-64.3-178000112.1E867 N875 V876 Q878 L879E867-L871 HydrophobicContact CG-CD1 3.7Å; E867-L871 HydrophobicContact CG-CG 3.96Å; E867-L871 WeakPolarHBondContact O-CG 3.47Å; E867-L871 PolarHBondContact O-N 2.94Å; L871-N875 CarbonylContact O-C 3.58Å; L871-N875 WeakPolarHBondContact O-CA 3.23Å; L871-N875 PolarHBondContact O-N 3.48Å; L871-V876 HydrophobicContact CD2-CB 4.28Å; L871-V876 WeakPolarHBondContact CD2-O 3.3Å; L871-V876 PolarHBondContact O-N 2.96Å; L871-Q878 VanDerWaalsContact CD2-C 3.5Å; L871-L879 HydrophobicContact CD2-CB 3.96Å
872E89.2Confident91.2Very high95 Ų9543.5 Ų43.544%0.44421%0.21SC..Hα-helixtrans-68.1-46.8177.8-74.7179.8-177.900112K868 I870 N875K868-E872 WeakPolarHBondContact CE-OE1 3.4Å; K868-E872 WeakPolarHBondContact O-CB 3.3Å; K868-E872 VanDerWaalsContact O-CG 3.31Å; K868-E872 WeakPolarHBondContact O-CG 3.37Å; K868-E872 PolarHBondContact O-N 3.31Å; I870-E872 PolarHBondContact O-N 3.39Å; E872-N875 PolarHBondContact O-N 3.45Å
873E90.4Very high90.8Very high23 Ų2346.2 Ų46.211%0.10723%0.227CC..Hα-helixtrans-74-36.9-175.9-78.4-65149.300113.5R736 T737 I829 R833 Y869 I870 N875R736-E873 IonicContact CZ-OE1 2.81Å; R736-E873 IonicContact CZ-OE2 3.96Å; R736-E873 VanDerWaalsContact NE-CD 3.35Å; R736-E873 IonicContact NE-OE1 2.87Å; R736-E873 PolarHBondContact NE-OE1 2.92Å; R736-E873 IonicContact NE-OE2 3.5Å; R736-E873 PolarHBondContact NE-OE2 3.34Å; R736-E873 IonicContact NH2-OE1 3.26Å; R736-E873 IonicContact NH2-OE2 2.68Å; R736-E873 PolarHBondContact NH2-OE2 2.82Å; T737-E873 HydrophobicContact CG2-CG 4.29Å; I829-E873 HydrophobicContact CD1-CB 3.9Å; I829-E873 HydrophobicContact CD1-CG 4.25Å; I829-E873 HydrophobicContact CG1-CB 4.26Å; I829-E873 HydrophobicContact CG2-CB 4.03Å; R833-E873 IonicContact CZ-OE2 2.69Å; R833-E873 IonicContact NH2-OE2 3.01Å; R833-E873 PolarHBondContact NH2-OE2 3.16Å; Y869-E873 VanDerWaalsContact O-CB 3.23Å; Y869-E873 WeakPolarHBondContact O-CB 3.41Å; Y869-E873 WeakPolarHBondContact O-CG 3.45Å; Y869-E873 PolarHBondContact O-N 3.32Å; I870-E873 PolarHBondContact O-N 3.19Å; E873-N875 VanDerWaalsContact C-N 3.33Å
874L90.3Very high90Very high0 Ų051.9 Ų51.90%025%0.254CS..THydrogen-bonded Turntrans-86.7-1.7170.7-65.2179.3000112I829 R833 R836 V850 I870 V876I829-L874 HydrophobicContact CG1-CG 4.35Å; I829-L874 HydrophobicContact CG2-CD2 4.31Å; I829-L874 WeakPolarHBondContact O-CD2 3.45Å; R833-L874 HydrophobicContact CG-CD2 4.1Å; R836-L874 VanDerWaalsContact NH1-C 3.3Å; R836-L874 PolarHBondContact NH1-O 2.88Å; R836-L874 PolarHBondContact NH2-O 3.35Å; V850-L874 HydrophobicContact CG2-CD1 4.19Å; I870-L874 HydrophobicContact CG2-CD1 3.97Å; I870-L874 VanDerWaalsContact O-CB 3.3Å; I870-L874 WeakPolarHBondContact O-CB 3.4Å; I870-L874 PolarHBondContact O-N 2.93Å; L874-V876 VanDerWaalsContact C-N 3.29Å; L874-V876 HydrophobicContact CB-CG2 3.58Å; L874-V876 VanDerWaalsContact O-CG2 3.25Å; L874-V876 WeakPolarHBondContact O-CG2 3.48Å; L874-V876 PolarHBondContact O-N 3.28Å
875N88.5Confident89Confident22 Ų2249.6 Ų49.612%0.11824%0.242CC..THydrogen-bonded Turntrans4357.5-176.9-174.647.8000111.6R836 V843 K844 Y845 P846 L847 L871 E872 E873 R988R836-N875 PolarHBondContact NH2-O 2.78Å; R836-N875 VanDerWaalsContact NH2-O 3.15Å; V843-N875 HydrophobicContact CG1-CB 4.49Å; V843-N875 WeakPolarHBondContact O-CB 3.43Å; V843-N875 PolarHBondContact O-ND2 3.34Å; K844-N875 PolarHBondContact O-ND2 2.93Å; Y845-N875 PolarHBondContact O-ND2 3.46Å; P846-N875 VanDerWaalsContact CA-ND2 3.26Å; P846-N875 WeakPolarHBondContact CA-ND2 3.47Å; P846-N875 VanDerWaalsContact CA-O 3.28Å; P846-N875 WeakPolarHBondContact CA-O 3.3Å; P846-N875 VanDerWaalsContact N-ND2 3.11Å; L847-N875 PolarHBondContact N-O 2.95Å; L871-N875 CarbonylContact O-C 3.58Å; L871-N875 WeakPolarHBondContact O-CA 3.23Å; L871-N875 PolarHBondContact O-N 3.48Å; E872-N875 PolarHBondContact O-N 3.45Å; E873-N875 VanDerWaalsContact C-N 3.33Å; N875-R988 PolarHBondContact ND2-NH1 2.84Å; N875-R988 PolarHBondContact OD1-NH1 2.98Å; N875-R988 PolarHBondContact OD1-NH2 3.14Å
876V90.2Very high88Confident9 Ų952.1 Ų52.16%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-120.4147.8-179.5-172.40000108.2L847 E849 V850 L871 L874 Q878 L973L847-V876 HydrophobicContact CB-CG2 4.33Å; L847-V876 WeakPolarHBondContact O-CA 3.43Å; E849-V876 VanDerWaalsContact CA-CG1 3.47Å; V850-V876 HydrophobicContact CB-CG1 4.21Å; V850-V876 HydrophobicContact CB-CG2 4.41Å; V850-V876 HydrophobicContact CG1-CB 4.32Å; V850-V876 HydrophobicContact CG1-CG1 4.1Å; V850-V876 HydrophobicContact CG1-CG2 4.43Å; L871-V876 HydrophobicContact CD2-CB 4.28Å; L871-V876 WeakPolarHBondContact CD2-O 3.3Å; L871-V876 PolarHBondContact O-N 2.96Å; L874-V876 VanDerWaalsContact C-N 3.29Å; L874-V876 HydrophobicContact CB-CG2 3.58Å; L874-V876 VanDerWaalsContact O-CG2 3.25Å; L874-V876 WeakPolarHBondContact O-CG2 3.48Å; L874-V876 PolarHBondContact O-N 3.28Å; V876-Q878 WeakPolarHBondContact CG1-O 3.41Å; V876-L973 HydrophobicContact CG2-CD1 3.9Å
877R88.3Confident86.9Confident137 Ų13758.9 Ų58.952%0.51728%0.28SS..EExtended strand (participates in β ladder)trans-80.4-32.8-177.6-65.5-173.4174.8171.92.2113.6L847 K848L847-R877 PolarHBondContact O-N 2.94Å; K848-R877 WeakPolarHBondContact O-CB 3.44Å; K848-R877 PolarHBondContact O-N 3.35Å
878Q92.4Very high85.8Confident104 Ų10457.2 Ų57.249%0.48627%0.271SS..EExtended strand (participates in β ladder)trans-138.1140.6-174.3-177.4177.6-11.600112.4K848 E849 V850 L871 V876 T880K848-Q878 PolarHBondContact O-N 3.31Å; K848-Q878 VanDerWaalsContact O-N 3.11Å; E849-Q878 WeakPolarHBondContact CA-O 3.22Å; E849-Q878 HydrophobicContact CG-CB 4.43Å; E849-Q878 HydrophobicContact CG-CG 4.49Å; V850-Q878 PolarHBondContact N-O 3.16Å; L871-Q878 VanDerWaalsContact CD2-C 3.5Å; V876-Q878 WeakPolarHBondContact CG1-O 3.41Å; Q878-T880 PolarHBondContact NE2-OG1 3.14Å
879L94.1Very high84.5Confident10 Ų1051.8 Ų51.85%0.05225%0.253CS..EExtended strand (participates in β ladder)trans-107.4126.6168.8173.365000108.5V850 V852 I863 E867 I870 L871 L881V850-L879 HydrophobicContact CG1-CB 4.36Å; V850-L879 HydrophobicContact CG1-CD1 3.8Å; V850-L879 WeakPolarHBondContact O-CA 3.25Å; V852-L879 HydrophobicContact CB-CD1 4.39Å; V852-L879 HydrophobicContact CG2-CD1 3.61Å; I863-L879 HydrophobicContact CG2-CD2 4.27Å; E867-L879 HydrophobicContact CB-CD2 3.8Å; E867-L879 HydrophobicContact CG-CB 3.97Å; E867-L879 HydrophobicContact CG-CD2 3.76Å; I870-L879 HydrophobicContact CD1-CD2 4.13Å; L871-L879 HydrophobicContact CD2-CB 3.96Å; L879-L881 HydrophobicContact CD1-CD2 3.85Å; L879-L881 HydrophobicContact CD2-CD2 4.11Å; L879-L881 HydrophobicContact CG-CD2 3.9Å; L879-L881 HydrophobicContact CG-CG 4.39Å
880T92.6Very high83.5Confident29 Ų2950.6 Ų50.618%0.17825%0.249CC..EExtended strand (participates in β ladder)trans-118.6126175.6-67.90000109.6E849 V850 V851 V852 Q878E849-T880 WeakPolarHBondContact OE1-CB 3.46Å; E849-T880 PolarHBondContact OE1-OG1 2.9Å; V850-T880 PolarHBondContact O-N 2.8Å; V851-T880 CarbonylContact C-O 3.48Å; V851-T880 WeakPolarHBondContact CA-O 3.49Å; V851-T880 HydrophobicContact CG1-CG2 4.2Å; V852-T880 PolarHBondContact N-O 2.77Å; Q878-T880 PolarHBondContact NE2-OG1 3.14Å
881L92.1Very high82.5Confident44 Ų4457.3 Ų57.323%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-104.2135.7-179.5-59.1-172.2000110.2V852 L860 I863 Q864 L879V852-L881 HydrophobicContact CB-CD2 3.77Å; V852-L881 HydrophobicContact CG1-CD2 4.48Å; V852-L881 HydrophobicContact CG2-CD2 4.37Å; V852-L881 WeakPolarHBondContact O-CA 3.21Å; L860-L881 HydrophobicContact CB-CD1 4.18Å; L860-L881 HydrophobicContact CD2-CB 4.15Å; L860-L881 HydrophobicContact CD2-CD2 4.24Å; L860-L881 WeakPolarHBondContact O-CD1 3.37Å; I863-L881 HydrophobicContact CG2-CD2 3.92Å; Q864-L881 HydrophobicContact CB-CD1 3.73Å; Q864-L881 HydrophobicContact CG-CD1 4.4Å; L879-L881 HydrophobicContact CD1-CD2 3.85Å; L879-L881 HydrophobicContact CD2-CD2 4.11Å; L879-L881 HydrophobicContact CG-CD2 3.9Å; L879-L881 HydrophobicContact CG-CG 4.39Å
882S86.6Confident81.7Confident15 Ų1556.1 Ų56.111%0.10527%0.268CS..EExtended strand (participates in β ladder)trans-143.7149.3179.8-176.20000111.8V852 I853 H854 E884V852-S882 PolarHBondContact O-N 2.89Å; I853-S882 VanDerWaalsContact CA-O 3.23Å; I853-S882 WeakPolarHBondContact CA-O 3.5Å; H854-S882 PolarHBondContact N-O 2.87Å; S882-E884 PolarHBondContact OG-N 3.27Å; S882-E884 PolarHBondContact OG-O 3.16Å
883T81.9Confident81.3Confident77 Ų7756.4 Ų56.447%0.47227%0.265SS..SBendtrans-98.9-12165.652.30000112.1L860L860-T883 HydrophobicContact CD1-CG2 3.58Å
884E74Confident80.8Confident120 Ų12055.4 Ų55.456%0.56126%0.26SS*.  trans-101.5100.4-171.9-63.9-178.5-178.800110.7S882 K887S882-E884 PolarHBondContact OG-N 3.27Å; S882-E884 PolarHBondContact OG-O 3.16Å; E884-K887 HydrophobicContact CB-CB 4.3Å
885K72.3Confident80.5Confident32 Ų3259.1 Ų59.114%0.13928%0.278CS..SBendtrans-70.8-32.6175.663.5179.4178177.10113.2I853 K887 Y888 E925I853-K885 HydrophobicContact CG2-CB 4.29Å; K885-K887 PolarHBondContact O-N 3.1Å; K885-Y888 PolarHBondContact O-N 2.94Å; K885-Y888 VanDerWaalsContact O-N 3.14Å; K885-E925 IonicContact NZ-OE1 3.4Å; K885-E925 PolarHBondContact NZ-OE1 2.78Å; K885-E925 IonicContact NZ-OE2 3.97Å; K885-E925 PolarHBondContact NZ-OE2 2.95Å
886D69.1Low80.3Confident120 Ų12058.4 Ų58.464%0.64228%0.275SS*.G310 helixtrans-68.1-28.4-173.8-56.1-40.5000111.7Y888 G889D886-Y888 PolarHBondContact O-N 3.25Å; D886-Y888 VanDerWaalsContact O-N 3.12Å; D886-G889 PolarHBondContact O-N 2.92Å; D886-G889 VanDerWaalsContact O-N 3.1Å
887K70.5Confident80Confident144 Ų14461 Ų6163%0.62629%0.288SS*.G310 helixtrans-56.5-25.6174.3-175.6179.2175.9-173.30113.4E884 K885E884-K887 HydrophobicContact CB-CB 4.3Å; K885-K887 PolarHBondContact O-N 3.1Å
888Y69.3Low79.7Confident26 Ų2659.7 Ų59.710%0.10229%0.288CS..G310 helixtrans-106.49.9-177.1-61.9-86000113.1V851 I853 K885 D886 I890 L972V851-Y888 HydrophobicContact CG1-CE1 4.08Å; V851-Y888 HydrophobicContact CG1-CE2 4.02Å; V851-Y888 HydrophobicContact CG2-CE1 4.09Å; I853-Y888 HydrophobicContact CD1-CD2 3.56Å; I853-Y888 HydrophobicContact CD1-CE2 4.01Å; I853-Y888 HydrophobicContact CD1-CG 4.28Å; K885-Y888 PolarHBondContact O-N 2.94Å; K885-Y888 VanDerWaalsContact O-N 3.14Å; D886-Y888 PolarHBondContact O-N 3.25Å; D886-Y888 VanDerWaalsContact O-N 3.12Å; Y888-I890 WeakPolarHBondContact O-CG1 3.43Å; Y888-I890 PolarHBondContact O-N 2.73Å; Y888-L972 HydrophobicContact CD1-CD1 3.73Å; Y888-L972 HydrophobicContact CD2-CD1 4.19Å; Y888-L972 HydrophobicContact CE1-CD1 4.36Å; Y888-L972 HydrophobicContact CG-CD1 3.64Å
889G66Low79Confident20 Ų2060.9 Ų60.921%0.20630%0.295CS..THydrogen-bonded Turntrans68.930.2176.800000114.2D886 D952D886-G889 PolarHBondContact O-N 2.92Å; D886-G889 VanDerWaalsContact O-N 3.1Å; G889-D952 PolarHBondContact O-N 2.87Å
890I70.7Confident78.4Confident3 Ų362.6 Ų62.62%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-98.9126.1-171-55.1-179.8000110.6I853 Y888 Y949 F951 L970 L972I853-I890 HydrophobicContact CD1-CD1 4.26Å; Y888-I890 WeakPolarHBondContact O-CG1 3.43Å; Y888-I890 PolarHBondContact O-N 2.73Å; I890-Y949 HydrophobicContact CG2-CD1 3.71Å; I890-Y949 HydrophobicContact CG2-CG 4.07Å; I890-F951 HydrophobicContact CD1-CE1 4.31Å; I890-F951 HydrophobicContact CG1-CD1 4.15Å; I890-F951 HydrophobicContact CG1-CE1 4.05Å; I890-L970 HydrophobicContact CD1-CD2 3.68Å; I890-L970 HydrophobicContact CD1-CG 4.42Å; I890-L970 HydrophobicContact CG2-CD2 4.02Å; I890-L972 HydrophobicContact CD1-CD1 3.75Å; I890-L972 HydrophobicContact CD1-CD2 3.45Å; I890-L972 VanDerWaalsContact CD1-CD2 3.45Å; I890-L972 HydrophobicContact CD1-CG 4.05Å
891R71.9Confident77.9Confident140 Ų14061.2 Ų61.253%0.52830%0.297SS..EExtended strand (participates in β ladder)trans-117.9150176.4-60.9-171.6-173.9-1632.5111.6Y949 T950 D952R891-Y949 WeakPolarHBondContact O-CA 3.22Å; R891-T950 PolarHBondContact N-O 2.98Å; R891-T950 PolarHBondContact O-N 2.99Å; R891-D952 IonicContact CZ-OD2 3.13Å; R891-D952 IonicContact NE-OD2 2.86Å; R891-D952 PolarHBondContact NE-OD2 2.99Å; R891-D952 VanDerWaalsContact NE-OD2 3.11Å; R891-D952 IonicContact NH2-OD2 2.66Å; R891-D952 PolarHBondContact NH2-OD2 2.77Å
892L75.2Confident77.4Confident8 Ų860.4 Ų60.44%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-79.3141.8172-87.7144.2000111.2S921 L924 E925 L947 M948 Y949L892-S921 PolarHBondContact N-OG 2.94Å; L892-L924 HydrophobicContact CB-CB 4Å; L892-L924 HydrophobicContact CB-CD1 4.08Å; L892-E925 HydrophobicContact CD1-CG 3.42Å; L892-E925 VanDerWaalsContact CD1-CG 3.42Å; L892-L947 HydrophobicContact CD2-CB 3.94Å; L892-L947 HydrophobicContact CD2-CD1 4.33Å; L892-L947 HydrophobicContact CD2-CD2 4.5Å; L892-L947 HydrophobicContact CD2-CG 4.49Å; L892-M948 CarbonylContact C-O 3.6Å; L892-Y949 HydrophobicContact CD1-CE1 3.91Å; L892-Y949 HydrophobicContact CD2-CD1 4.25Å; L892-Y949 HydrophobicContact CD2-CE1 3.88Å; L892-Y949 HydrophobicContact CD2-CE2 4.21Å; L892-Y949 HydrophobicContact CG-CD1 3.9Å; L892-Y949 HydrophobicContact CG-CE1 3.6Å
893R81.1Confident77.2Confident102 Ų10267.3 Ų67.339%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-133.8143.3171.9-178.5178.8179.2-171.6-0108.9L924 L947 M948 T950R893-L924 VanDerWaalsContact C-CD1 3.49Å; R893-L947 CarbonylContact O-C 3.59Å; R893-M948 PolarHBondContact N-O 3.37Å; R893-M948 PolarHBondContact O-N 2.85Å; R893-M948 VanDerWaalsContact O-O 3.1Å; R893-T950 HydrophobicContact CB-CG2 4.38Å
894A80.8Confident77.3Confident1 Ų168.5 Ų68.51%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-104.2139.6173.400000111.7I916 L919 L924 L945 L947A894-I916 HydrophobicContact CB-CG2 3.83Å; A894-L919 HydrophobicContact CB-CD1 4.42Å; A894-L924 HydrophobicContact CB-CD1 3.98Å; A894-L924 HydrophobicContact CB-CD2 3.61Å; A894-L924 HydrophobicContact CB-CG 4.47Å; A894-L945 HydrophobicContact CB-CD2 4.42Å; A894-L947 HydrophobicContact CB-CD2 4.04Å
895E83.8Confident77.7Confident78 Ų7863.7 Ų63.736%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-112.9138.3164-66.1-163.9152.700109.9R946 M948E895-R946 HydrophobicContact CB-CB 4.49Å; E895-R946 PolarHBondContact N-O 3Å; E895-R946 PolarHBondContact O-N 2.86Å; E895-M948 HydrophobicContact CG-SD 4.07Å
896P84.6Confident78.3Confident8 Ų870.2 Ų70.25%0.05233%0.33CS..EExtended strand (participates in β ladder)trans-73.5139.417827.7-32.3000112.1H898 L901 T913 I916P896-H898 PolarHBondContact O-N 3.04Å; P896-L901 HydrophobicContact CB-CD1 3.61Å; P896-T913 HydrophobicContact CG-CG2 3.68Å; P896-I916 HydrophobicContact CB-CD1 3.85Å; P896-I916 HydrophobicContact CB-CG2 4.44Å
897D82.3Confident78.9Confident63 Ų6368.2 Ų68.234%0.33734%0.338SS..  trans-73.498.3164.3-170-53000109.5M899 V900 L901 D944D897-M899 PolarHBondContact O-N 3.48Å; D897-M899 VanDerWaalsContact O-N 3.15Å; D897-M899 WeakPolarHBondContact OD1-CB 3.5Å; D897-M899 PolarHBondContact OD1-N 3.41Å; D897-V900 HydrophobicContact CB-CB 4.19Å; D897-V900 HydrophobicContact CB-CG2 4.29Å; D897-V900 PolarHBondContact O-N 3.2Å; D897-V900 PolarHBondContact OD1-N 2.89Å; D897-L901 VanDerWaalsContact O-CB 3.31Å; D897-L901 WeakPolarHBondContact O-CB 3.47Å; D897-L901 PolarHBondContact O-N 2.85Å; D897-D944 PolarHBondContact N-O 3.25Å
898H82.4Confident79.4Confident110 Ų11062.9 Ų62.951%0.50932%0.32SS..Hα-helixtrans-60.2-26.1-175.9-68.2-64.3000113.8P896 G902 F909P896-H898 PolarHBondContact O-N 3.04Å; H898-G902 WeakPolarHBondContact O-CA 3.18Å; H898-G902 PolarHBondContact O-N 3.11Å; H898-G902 VanDerWaalsContact O-N 3.12Å; H898-F909 HydrophobicContact CB-CZ 3.94Å; H898-F909 AromaticContact CG-CZ 3.97Å; H898-F909 AromaticContact ND1-CZ 3.22Å; H898-F909 WeakPolarHBondContact ND1-CZ 3.47Å
899M78Confident80.2Confident128 Ų12863.9 Ų63.963%0.63133%0.325SS*.Hα-helixtrans-82.1-43.2-177.7-168.4-177.966.800111.5D897D897-M899 PolarHBondContact O-N 3.48Å; D897-M899 VanDerWaalsContact O-N 3.15Å; D897-M899 WeakPolarHBondContact OD1-CB 3.5Å; D897-M899 PolarHBondContact OD1-N 3.41Å
900V81.9Confident81.1Confident46 Ų4671.5 Ų71.528%0.27935%0.353SS..Hα-helixtrans-70-54.8178178.60000109.9D897 G902 K903 R904 D944D897-V900 HydrophobicContact CB-CB 4.19Å; D897-V900 HydrophobicContact CB-CG2 4.29Å; D897-V900 PolarHBondContact O-N 3.2Å; D897-V900 PolarHBondContact OD1-N 2.89Å; V900-G902 VanDerWaalsContact C-N 3.34Å; V900-G902 PolarHBondContact O-N 2.78Å; V900-K903 PolarHBondContact O-N 3.2Å; V900-R904 PolarHBondContact O-N 2.92Å; V900-D944 WeakPolarHBondContact CG1-OD1 3.43Å
901L82.3Confident81.9Confident0 Ų074 Ų740%037%0.374CS..Hα-helixtrans-67.7-33.1-177.5-73.8167.5000112.4P896 D897 K903 R904 L905 F909 I916 L940 D944P896-L901 HydrophobicContact CB-CD1 3.61Å; D897-L901 VanDerWaalsContact O-CB 3.31Å; D897-L901 WeakPolarHBondContact O-CB 3.47Å; D897-L901 PolarHBondContact O-N 2.85Å; L901-K903 PolarHBondContact O-N 3.27Å; L901-R904 PolarHBondContact O-N 3.19Å; L901-L905 HydrophobicContact CB-CD1 4.26Å; L901-L905 HydrophobicContact CD2-CD1 3.37Å; L901-L905 HydrophobicContact CD2-CG 4Å; L901-L905 HydrophobicContact CG-CD1 4.39Å; L901-L905 WeakPolarHBondContact O-CB 3.41Å; L901-L905 PolarHBondContact O-N 2.9Å; L901-F909 HydrophobicContact CB-CD2 3.86Å; L901-F909 HydrophobicContact CB-CE2 3.76Å; L901-I916 HydrophobicContact CD1-CD1 3.83Å; L901-L940 HydrophobicContact CD2-CD2 3.74Å; L901-D944 HydrophobicContact CD1-CB 4.25Å; L901-D944 WeakPolarHBondContact CD1-O 3.39Å; L901-D944 HydrophobicContact CD2-CB 3.85Å; L901-D944 HydrophobicContact CG-CB 4.03Å
902G81.3Confident82.6Confident28 Ų2867.4 Ų67.429%0.28935%0.349SS..Hα-helixtrans-63.5-39.317800000113.1H898 V900H898-G902 WeakPolarHBondContact O-CA 3.18Å; H898-G902 PolarHBondContact O-N 3.11Å; H898-G902 VanDerWaalsContact O-N 3.12Å; V900-G902 VanDerWaalsContact C-N 3.34Å; V900-G902 PolarHBondContact O-N 2.78Å
903K81.5Confident83.1Confident160 Ų16067.9 Ų67.970%0.69635%0.352SS*.Hα-helixtrans-70.8-39.3175.9-75.7176.7-178.5172.90112.2V900 L901V900-K903 PolarHBondContact O-N 3.2Å; L901-K903 PolarHBondContact O-N 3.27Å
904R85.2Confident83.3Confident102 Ų10265.4 Ų65.439%0.38535%0.354SS..Hα-helixtrans-79.6-51-174.7-165.4174.178.8-170.22.8112.8V900 L901 E939 D944V900-R904 PolarHBondContact O-N 2.92Å; L901-R904 PolarHBondContact O-N 3.19Å; R904-E939 PolarHBondContact NH2-O 3.49Å; R904-D944 IonicContact CZ-OD1 3.72Å; R904-D944 VanDerWaalsContact CZ-OD1 3.24Å; R904-D944 IonicContact CZ-OD2 2.79Å; R904-D944 VanDerWaalsContact NH1-CG 3.3Å; R904-D944 IonicContact NH1-OD1 3.23Å; R904-D944 PolarHBondContact NH1-OD1 2.93Å; R904-D944 IonicContact NH1-OD2 2.77Å; R904-D944 PolarHBondContact NH1-OD2 2.83Å; R904-D944 VanDerWaalsContact NH2-CG 3.27Å; R904-D944 IonicContact NH2-OD1 3.38Å; R904-D944 PolarHBondContact NH2-OD1 3.08Å; R904-D944 IonicContact NH2-OD2 3.28Å; R904-D944 PolarHBondContact NH2-OD2 2.9Å
905L81.8Confident83.6Confident18 Ų1866.5 Ų66.59%0.09436%0.362CS..Hα-helixtrans-90.8-14.3-168.1-61.2179.8000114.4L901 G907 A908 F909 V912 H938L901-L905 HydrophobicContact CB-CD1 4.26Å; L901-L905 HydrophobicContact CD2-CD1 3.37Å; L901-L905 HydrophobicContact CD2-CG 4Å; L901-L905 HydrophobicContact CG-CD1 4.39Å; L901-L905 WeakPolarHBondContact O-CB 3.41Å; L901-L905 PolarHBondContact O-N 2.9Å; L905-G907 PolarHBondContact O-N 3.5Å; L905-A908 HydrophobicContact CB-CB 4.47Å; L905-A908 PolarHBondContact O-N 2.63Å; L905-F909 HydrophobicContact CB-CB 4.35Å; L905-V912 HydrophobicContact CD1-CB 3.88Å; L905-V912 HydrophobicContact CD1-CG1 3.71Å; L905-V912 HydrophobicContact CD1-CG2 4Å; L905-H938 HydrophobicContact CD2-CB 4.3Å
906K85.6Confident83.8Confident170 Ų17062.8 Ų62.874%0.73934%0.344SS*.G310 helixtrans43.3-108177.1-59.3-177.3-177.6175.40112.6A908 F909K906-A908 PolarHBondContact O-N 3Å; K906-F909 WeakPolarHBondContact O-CB 3.34Å; K906-F909 PolarHBondContact O-N 3.16Å
907G80.4Confident83.7Confident78 Ų7867.5 Ų67.580%0.80436%0.364SS*.G310 helixtrans-67.6-27.9-177.900000115L905 F909L905-G907 PolarHBondContact O-N 3.5Å; G907-F909 VanDerWaalsContact C-N 3.29Å; G907-F909 PolarHBondContact O-N 2.96Å
908A82.3Confident83.8Confident32 Ų3272 Ų7226%0.26438%0.383SS..G310 helixtrans-79.4-11.7178.600000113.1L905 K906 K910 A911 V912L905-A908 HydrophobicContact CB-CB 4.47Å; L905-A908 PolarHBondContact O-N 2.63Å; K906-A908 PolarHBondContact O-N 3Å; A908-K910 VanDerWaalsContact C-N 3.29Å; A908-K910 PolarHBondContact O-N 2.81Å; A908-A911 PolarHBondContact O-N 3.05Å; A908-V912 WeakPolarHBondContact O-CG2 3.47Å; A908-V912 PolarHBondContact O-N 2.87Å; A908-V912 VanDerWaalsContact O-N 3.11Å
909F85.7Confident84Confident47 Ų4767.9 Ų67.921%0.20636%0.364CS..Hα-helixtrans-53.4-41.5-174.6176.6-110.9000113.8H898 L901 L905 K906 G907 T913H898-F909 HydrophobicContact CB-CZ 3.94Å; H898-F909 AromaticContact CG-CZ 3.97Å; H898-F909 AromaticContact ND1-CZ 3.22Å; H898-F909 WeakPolarHBondContact ND1-CZ 3.47Å; L901-F909 HydrophobicContact CB-CD2 3.86Å; L901-F909 HydrophobicContact CB-CE2 3.76Å; L905-F909 HydrophobicContact CB-CB 4.35Å; K906-F909 WeakPolarHBondContact O-CB 3.34Å; K906-F909 PolarHBondContact O-N 3.16Å; G907-F909 VanDerWaalsContact C-N 3.29Å; G907-F909 PolarHBondContact O-N 2.96Å; F909-T913 WeakPolarHBondContact O-CB 3.26Å; F909-T913 PolarHBondContact O-N 3.44Å; F909-T913 PolarHBondContact O-OG1 3.13Å
910K85.2Confident84.2Confident180 Ų18064.7 Ų64.778%0.78335%0.352SS*.Hα-helixtrans-65.8-41.6-178-107.5-174.6177.4-177.30112.8A908 A914A908-K910 VanDerWaalsContact C-N 3.29Å; A908-K910 PolarHBondContact O-N 2.81Å; K910-A914 PolarHBondContact O-N 2.67Å
911A86.1Confident84Confident55 Ų5563.5 Ų63.546%0.45535%0.346SS..Hα-helixtrans-69.6-52.3179.700000110.3A908 T913 A914 S915A908-A911 PolarHBondContact O-N 3.05Å; A911-T913 VanDerWaalsContact C-N 3.29Å; A911-T913 PolarHBondContact O-N 3.37Å; A911-A914 WeakPolarHBondContact O-CB 3.46Å; A911-A914 PolarHBondContact O-N 2.89Å; A911-S915 PolarHBondContact O-N 3.07Å; A911-S915 PolarHBondContact O-OG 3.05Å
912V86.6Confident83.9Confident2 Ų270.4 Ų70.41%0.01238%0.378CS..Hα-helixtrans-59.2-39.4179.3178.50000111.6L905 A908 A914 S915 I916 D936 L940L905-V912 HydrophobicContact CD1-CB 3.88Å; L905-V912 HydrophobicContact CD1-CG1 3.71Å; L905-V912 HydrophobicContact CD1-CG2 4Å; A908-V912 WeakPolarHBondContact O-CG2 3.47Å; A908-V912 PolarHBondContact O-N 2.87Å; A908-V912 VanDerWaalsContact O-N 3.11Å; V912-A914 VanDerWaalsContact C-N 3.33Å; V912-A914 PolarHBondContact O-N 3.32Å; V912-S915 PolarHBondContact O-N 3.31Å; V912-I916 HydrophobicContact CG1-CD1 3.76Å; V912-I916 HydrophobicContact CG1-CG1 4.23Å; V912-I916 WeakPolarHBondContact O-CB 3.28Å; V912-I916 WeakPolarHBondContact O-CD1 3.21Å; V912-I916 WeakPolarHBondContact O-CG1 3.43Å; V912-I916 PolarHBondContact O-N 3.4Å; V912-D936 HydrophobicContact CG2-CB 4.17Å; V912-L940 HydrophobicContact CG1-CD1 4.35Å; V912-L940 HydrophobicContact CG1-CD2 4.27Å
913T86Confident83.9Confident17 Ų1773.4 Ų73.410%0.10438%0.384CS..Hα-helixtrans-62.5-35.9175.3-66.10000113.1P896 F909 A911P896-T913 HydrophobicContact CG-CG2 3.68Å; F909-T913 WeakPolarHBondContact O-CB 3.26Å; F909-T913 PolarHBondContact O-N 3.44Å; F909-T913 PolarHBondContact O-OG1 3.13Å; A911-T913 VanDerWaalsContact C-N 3.29Å; A911-T913 PolarHBondContact O-N 3.37Å
914A85.9Confident83.9Confident51 Ų5165.8 Ų65.842%0.42135%0.351SS..Hα-helixtrans-69.2-47.3176.200000110.3K910 A911 V912 I916 K917K910-A914 PolarHBondContact O-N 2.67Å; A911-A914 WeakPolarHBondContact O-CB 3.46Å; A911-A914 PolarHBondContact O-N 2.89Å; V912-A914 VanDerWaalsContact C-N 3.33Å; V912-A914 PolarHBondContact O-N 3.32Å; A914-I916 VanDerWaalsContact C-N 3.35Å; A914-I916 PolarHBondContact O-N 3.25Å; A914-K917 WeakPolarHBondContact O-CB 3.43Å; A914-K917 PolarHBondContact O-N 3.45Å
915S86.5Confident83.4Confident24 Ų2463.5 Ų63.517%0.16835%0.345CS..Hα-helixtrans-66.8-32.9-178.9-56.40000113.2A911 V912 K917 E918 L919 D936A911-S915 PolarHBondContact O-N 3.07Å; A911-S915 PolarHBondContact O-OG 3.05Å; V912-S915 PolarHBondContact O-N 3.31Å; S915-K917 PolarHBondContact O-N 3.5Å; S915-E918 PolarHBondContact O-N 2.89Å; S915-E918 VanDerWaalsContact O-N 3.08Å; S915-L919 PolarHBondContact O-N 2.97Å; S915-D936 VanDerWaalsContact CB-OD2 3.24Å; S915-D936 WeakPolarHBondContact CB-OD2 3.27Å; S915-D936 PolarHBondContact OG-OD1 3.28Å; S915-D936 PolarHBondContact OG-OD2 2.76Å
916I87.4Confident83.3Confident0 Ų065.1 Ų65.10%036%0.361CS..Hα-helixtrans-58.1-36.4171.6-74.1164.8000111.5A894 P896 L901 V912 A914 E918 L919 V935 L940 L945A894-I916 HydrophobicContact CB-CG2 3.83Å; P896-I916 HydrophobicContact CB-CD1 3.85Å; P896-I916 HydrophobicContact CB-CG2 4.44Å; L901-I916 HydrophobicContact CD1-CD1 3.83Å; V912-I916 HydrophobicContact CG1-CD1 3.76Å; V912-I916 HydrophobicContact CG1-CG1 4.23Å; V912-I916 WeakPolarHBondContact O-CB 3.28Å; V912-I916 WeakPolarHBondContact O-CD1 3.21Å; V912-I916 WeakPolarHBondContact O-CG1 3.43Å; V912-I916 PolarHBondContact O-N 3.4Å; A914-I916 VanDerWaalsContact C-N 3.35Å; A914-I916 PolarHBondContact O-N 3.25Å; I916-E918 VanDerWaalsContact C-N 3.26Å; I916-E918 PolarHBondContact O-N 3.33Å; I916-L919 PolarHBondContact O-N 3.49Å; I916-V935 HydrophobicContact CG1-CG1 4.24Å; I916-L940 HydrophobicContact CD1-CD1 3.64Å; I916-L940 HydrophobicContact CG1-CD1 3.69Å; I916-L945 HydrophobicContact CB-CD2 4.3Å; I916-L945 HydrophobicContact CD1-CD2 3.57Å; I916-L945 HydrophobicContact CG1-CD2 3.77Å; I916-L945 HydrophobicContact CG2-CD2 3.49Å; I916-L945 VanDerWaalsContact CG2-CD2 3.49Å
917K83.8Confident83.1Confident107 Ų10757.3 Ų57.347%0.46533%0.327SS..Hα-helixtrans-75-16.9179.6-68.7177179.1-178.50113.2A914 S915A914-K917 WeakPolarHBondContact O-CB 3.43Å; A914-K917 PolarHBondContact O-N 3.45Å; S915-K917 PolarHBondContact O-N 3.5Å
918E84.3Confident82.8Confident158 Ų15856.6 Ų56.674%0.73830%0.303SS*.Hα-helixtrans-94.1-5.7178.8-64.2-174174.300113.1S915 I916 T920S915-E918 PolarHBondContact O-N 2.89Å; S915-E918 VanDerWaalsContact O-N 3.08Å; I916-E918 VanDerWaalsContact C-N 3.26Å; I916-E918 PolarHBondContact O-N 3.33Å; E918-T920 PolarHBondContact O-N 2.74Å
919L85.8Confident82.4Confident22 Ų2263.7 Ų63.712%0.11533%0.328CS..  trans-57.6132.5176.8-69.8173.4000111.6A894 S915 I916 L924 I933 V935A894-L919 HydrophobicContact CB-CD1 4.42Å; S915-L919 PolarHBondContact O-N 2.97Å; I916-L919 PolarHBondContact O-N 3.49Å; L919-L924 HydrophobicContact CB-CD1 4.33Å; L919-L924 HydrophobicContact CB-CD2 3.82Å; L919-L924 HydrophobicContact CB-CG 4Å; L919-L924 HydrophobicContact CD1-CD2 3.62Å; L919-L924 HydrophobicContact CG-CD2 4.34Å; L919-I933 HydrophobicContact CD1-CD1 4.28Å; L919-I933 HydrophobicContact CD2-CD1 3.84Å; L919-V935 HydrophobicContact CD1-CG2 4.05Å; L919-V935 HydrophobicContact CD2-CG2 4.06Å
920T83.2Confident82.1Confident61 Ų6166.2 Ų66.237%0.37435%0.347SS..  trans-77.7157.4178.476.20000111.4E918 E922 Q923 L924E918-T920 PolarHBondContact O-N 2.74Å; T920-E922 PolarHBondContact O-N 3.03Å; T920-E922 PolarHBondContact OG1-OE2 3.39Å; T920-Q923 WeakPolarHBondContact O-CB 3.31Å; T920-Q923 PolarHBondContact O-N 2.77Å; T920-Q923 VanDerWaalsContact O-N 3.12Å; T920-Q923 WeakPolarHBondContact OG1-CG 3.48Å; T920-Q923 PolarHBondContact OG1-N 2.64Å; T920-L924 WeakPolarHBondContact O-CG 3.41Å; T920-L924 PolarHBondContact O-N 2.82Å
921S77.3Confident81.8Confident21 Ų2158.8 Ų58.815%0.14732%0.321CS..Hα-helixtrans-55.4-39.7176.3-164.30000111.7L892 Q923 L924 E925L892-S921 PolarHBondContact N-OG 2.94Å; S921-Q923 PolarHBondContact O-N 2.98Å; S921-L924 PolarHBondContact O-N 2.65Å; S921-E925 WeakPolarHBondContact O-CB 3.36Å; S921-E925 WeakPolarHBondContact O-CG 3.46Å; S921-E925 PolarHBondContact O-N 3.21Å; S921-E925 PolarHBondContact OG-OE1 2.78Å
922E79.7Confident81.8Confident146 Ų14658 Ų5868%0.68231%0.313SS*.Hα-helixtrans-64.8-38.5179.2-60.8127.9169.600112.4T920 E925 A926T920-E922 PolarHBondContact O-N 3.03Å; T920-E922 PolarHBondContact OG1-OE2 3.39Å; E922-E925 PolarHBondContact O-N 3.47Å; E922-A926 WeakPolarHBondContact O-CB 3.17Å; E922-A926 PolarHBondContact O-N 3.4Å
923Q80.9Confident82Confident90 Ų9059.1 Ų59.142%0.42132%0.318SS..Hα-helixtrans-66.6-39.5175.7-70.3175.3-43.800111.4T920 S921 A926 F927 I933T920-Q923 WeakPolarHBondContact O-CB 3.31Å; T920-Q923 PolarHBondContact O-N 2.77Å; T920-Q923 VanDerWaalsContact O-N 3.12Å; T920-Q923 WeakPolarHBondContact OG1-CG 3.48Å; T920-Q923 PolarHBondContact OG1-N 2.64Å; S921-Q923 PolarHBondContact O-N 2.98Å; Q923-A926 PolarHBondContact O-N 3.11Å; Q923-F927 WeakPolarHBondContact O-CB 3.09Å; Q923-F927 PolarHBondContact O-N 3.32Å; Q923-I933 HydrophobicContact CB-CD1 4.11Å
924L81.3Confident82.1Confident0 Ų063 Ų630%034%0.342CS..Hα-helixtrans-71.2-31.3177.9-64.2177.7000112.6L892 R893 A894 L919 T920 S921 F927 Q928 L947L892-L924 HydrophobicContact CB-CB 4Å; L892-L924 HydrophobicContact CB-CD1 4.08Å; R893-L924 VanDerWaalsContact C-CD1 3.49Å; A894-L924 HydrophobicContact CB-CD1 3.98Å; A894-L924 HydrophobicContact CB-CD2 3.61Å; A894-L924 HydrophobicContact CB-CG 4.47Å; L919-L924 HydrophobicContact CB-CD1 4.33Å; L919-L924 HydrophobicContact CB-CD2 3.82Å; L919-L924 HydrophobicContact CB-CG 4Å; L919-L924 HydrophobicContact CD1-CD2 3.62Å; L919-L924 HydrophobicContact CG-CD2 4.34Å; T920-L924 WeakPolarHBondContact O-CG 3.41Å; T920-L924 PolarHBondContact O-N 2.82Å; S921-L924 PolarHBondContact O-N 2.65Å; L924-F927 WeakPolarHBondContact O-CB 3.45Å; L924-F927 PolarHBondContact O-N 2.71Å; L924-Q928 PolarHBondContact O-N 3.46Å; L924-L947 HydrophobicContact CB-CD2 4.21Å; L924-L947 HydrophobicContact CD1-CD2 4.34Å; L924-L947 HydrophobicContact CD2-CD2 3.84Å; L924-L947 HydrophobicContact CG-CD2 4.35Å
925E76.1Confident82.2Confident55 Ų5561 Ų6126%0.25732%0.324SS..Hα-helixtrans-71.5-38.2172.9-72.3169.2-149.200112.2K885 L892 S921 E922 Q928 K929K885-E925 IonicContact NZ-OE1 3.4Å; K885-E925 PolarHBondContact NZ-OE1 2.78Å; K885-E925 IonicContact NZ-OE2 3.97Å; K885-E925 PolarHBondContact NZ-OE2 2.95Å; L892-E925 HydrophobicContact CD1-CG 3.42Å; L892-E925 VanDerWaalsContact CD1-CG 3.42Å; S921-E925 WeakPolarHBondContact O-CB 3.36Å; S921-E925 WeakPolarHBondContact O-CG 3.46Å; S921-E925 PolarHBondContact O-N 3.21Å; S921-E925 PolarHBondContact OG-OE1 2.78Å; E922-E925 PolarHBondContact O-N 3.47Å; E925-Q928 PolarHBondContact O-N 2.84Å; E925-K929 PolarHBondContact O-N 3.42Å
926A79.3Confident82.1Confident52 Ų5264 Ų6443%0.4334%0.339SS..Hα-helixtrans-64-42.617100000111E922 Q923 Q928 K929 T930E922-A926 WeakPolarHBondContact O-CB 3.17Å; E922-A926 PolarHBondContact O-N 3.4Å; Q923-A926 PolarHBondContact O-N 3.11Å; A926-Q928 PolarHBondContact O-N 3.25Å; A926-K929 PolarHBondContact O-N 3.18Å; A926-K929 VanDerWaalsContact O-N 3.16Å; A926-T930 WeakPolarHBondContact O-CB 3.4Å; A926-T930 WeakPolarHBondContact O-CG2 3.39Å; A926-T930 PolarHBondContact O-N 2.73Å; A926-T930 PolarHBondContact O-OG1 3.16Å
927F81.7Confident81.8Confident6 Ų667.2 Ų67.23%0.02637%0.372CS..Hα-helixtrans-57.9-45.4173.3171.4-110.9000111.9Q923 L924 K929 T930 G931 S932 I933 E942 L945 L947Q923-F927 WeakPolarHBondContact O-CB 3.09Å; Q923-F927 PolarHBondContact O-N 3.32Å; L924-F927 WeakPolarHBondContact O-CB 3.45Å; L924-F927 PolarHBondContact O-N 2.71Å; F927-K929 PolarHBondContact O-N 3.48Å; F927-T930 PolarHBondContact O-N 2.97Å; F927-G931 PolarHBondContact O-N 2.75Å; F927-S932 VanDerWaalsContact CD2-C 3.48Å; F927-I933 HydrophobicContact CB-CB 4.15Å; F927-I933 HydrophobicContact CB-CD1 4.4Å; F927-I933 HydrophobicContact CB-CG2 4.39Å; F927-I933 HydrophobicContact CD2-CB 3.65Å; F927-I933 HydrophobicContact CD2-CG2 3.46Å; F927-I933 VanDerWaalsContact CD2-CG2 3.46Å; F927-I933 HydrophobicContact CE2-CB 4.42Å; F927-I933 HydrophobicContact CE2-CG2 3.85Å; F927-I933 HydrophobicContact CG-CB 4.2Å; F927-I933 HydrophobicContact CG-CG2 4Å; F927-E942 HydrophobicContact CZ-CG 4.47Å; F927-L945 HydrophobicContact CD1-CD1 4.31Å; F927-L945 HydrophobicContact CE1-CB 4.12Å; F927-L945 HydrophobicContact CE1-CD1 3.86Å; F927-L945 HydrophobicContact CE2-CD1 4.24Å; F927-L945 HydrophobicContact CZ-CB 4.22Å; F927-L945 HydrophobicContact CZ-CD1 3.81Å; F927-L945 HydrophobicContact CZ-CG 4.38Å; F927-L947 HydrophobicContact CD1-CD1 4.14Å; F927-L947 HydrophobicContact CD1-CD2 4.27Å; F927-L947 HydrophobicContact CE1-CD1 4.32Å; F927-L947 HydrophobicContact CE1-CD2 4.47Å; F927-L947 HydrophobicContact CE1-CG 4.5Å
928Q73.2Confident82Confident62 Ų6265.4 Ų65.429%0.2937%0.365SS..Hα-helixtrans-58.7-29176.8-123.2174.8-3.700113.6L924 E925 A926 L947L924-Q928 PolarHBondContact O-N 3.46Å; E925-Q928 PolarHBondContact O-N 2.84Å; A926-Q928 PolarHBondContact O-N 3.25Å; Q928-L947 HydrophobicContact CG-CD1 3.67Å
929K73.8Confident82.2Confident182 Ų18262.9 Ų62.979%0.79135%0.353SS*.Hα-helixtrans-89.2-29.9177.9-70.5-179.7-179.2176.70113.7E925 A926 F927E925-K929 PolarHBondContact O-N 3.42Å; A926-K929 PolarHBondContact O-N 3.18Å; A926-K929 VanDerWaalsContact O-N 3.16Å; F927-K929 PolarHBondContact O-N 3.48Å
930T79.1Confident82.3Confident100 Ų10061.8 Ų61.861%0.61335%0.347SS*.Hα-helixtrans-101.6-21-171.352.90000113.4A926 F927 S932A926-T930 WeakPolarHBondContact O-CB 3.4Å; A926-T930 WeakPolarHBondContact O-CG2 3.39Å; A926-T930 PolarHBondContact O-N 2.73Å; A926-T930 PolarHBondContact O-OG1 3.16Å; F927-T930 PolarHBondContact O-N 2.97Å; T930-S932 PolarHBondContact O-N 3.14Å; T930-S932 PolarHBondContact OG1-O 2.76Å
931G79.1Confident82.4Confident23 Ų2362.3 Ų62.324%0.23735%0.345CS..SBendtrans78-3.2179.200000114.9F927F927-G931 PolarHBondContact O-N 2.75Å
932S86.3Confident82.5Confident39 Ų3967.8 Ų67.827%0.27337%0.368SS..EExtended strand (participates in β ladder)trans-147.1150.4173.874.10000113.5F927 T930 E939 L940F927-S932 VanDerWaalsContact CD2-C 3.48Å; T930-S932 PolarHBondContact O-N 3.14Å; T930-S932 PolarHBondContact OG1-O 2.76Å; S932-E939 WeakPolarHBondContact CB-OE1 3.5Å; S932-E939 PolarHBondContact OG-OE1 2.78Å; S932-L940 CarbonylContact C-O 3.53Å; S932-L940 WeakPolarHBondContact CA-O 3.34Å
933I90.8Very high82.5Confident25 Ų2567.1 Ų67.113%0.12837%0.365CS..EExtended strand (participates in β ladder)trans-142.7141.1176.7-171.4168.4000110.1L919 Q923 F927 V935 L940 L945L919-I933 HydrophobicContact CD1-CD1 4.28Å; L919-I933 HydrophobicContact CD2-CD1 3.84Å; Q923-I933 HydrophobicContact CB-CD1 4.11Å; F927-I933 HydrophobicContact CB-CB 4.15Å; F927-I933 HydrophobicContact CB-CD1 4.4Å; F927-I933 HydrophobicContact CB-CG2 4.39Å; F927-I933 HydrophobicContact CD2-CB 3.65Å; F927-I933 HydrophobicContact CD2-CG2 3.46Å; F927-I933 VanDerWaalsContact CD2-CG2 3.46Å; F927-I933 HydrophobicContact CE2-CB 4.42Å; F927-I933 HydrophobicContact CE2-CG2 3.85Å; F927-I933 HydrophobicContact CG-CB 4.2Å; F927-I933 HydrophobicContact CG-CG2 4Å; I933-V935 HydrophobicContact CG1-CG2 4.29Å; I933-V935 HydrophobicContact CG2-CG2 4.12Å; I933-L940 HydrophobicContact CG2-CB 4.02Å; I933-L940 PolarHBondContact N-O 2.86Å; I933-L940 PolarHBondContact O-N 3.04Å; I933-L945 HydrophobicContact CG2-CD1 3.84Å
934V89.1Confident82.6Confident100 Ų10062.9 Ų62.961%0.60635%0.345SS*.EExtended strand (participates in β ladder)trans-95.2119.7176-178.40000109.6H938V934-H938 CarbonylContact C-O 3.54Å; V934-H938 WeakPolarHBondContact CA-O 3.36Å
935V87.2Confident82.6Confident7 Ų763.5 Ų63.54%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-126.1124.1178.5-172.90000108.7I916 L919 I933 G937 H938 L940I916-V935 HydrophobicContact CG1-CG1 4.24Å; L919-V935 HydrophobicContact CD1-CG2 4.05Å; L919-V935 HydrophobicContact CD2-CG2 4.06Å; I933-V935 HydrophobicContact CG1-CG2 4.29Å; I933-V935 HydrophobicContact CG2-CG2 4.12Å; V935-G937 PolarHBondContact O-N 3.07Å; V935-G937 VanDerWaalsContact O-N 3.16Å; V935-H938 PolarHBondContact N-O 3.24Å; V935-H938 PolarHBondContact O-N 3.27Å; V935-L940 HydrophobicContact CB-CD1 3.84Å; V935-L940 HydrophobicContact CB-CG 4.4Å; V935-L940 HydrophobicContact CG2-CD1 3.56Å; V935-L940 HydrophobicContact CG2-CG 4.25Å
936D84.6Confident82.6Confident89 Ų8969.2 Ų69.248%0.47637%0.368SS..THydrogen-bonded Turntrans48.638.3-174.9-73-20.1000114.4V912 S915 H938V912-D936 HydrophobicContact CG2-CB 4.17Å; S915-D936 VanDerWaalsContact CB-OD2 3.24Å; S915-D936 WeakPolarHBondContact CB-OD2 3.27Å; S915-D936 PolarHBondContact OG-OD1 3.28Å; S915-D936 PolarHBondContact OG-OD2 2.76Å; D936-H938 VanDerWaalsContact C-N 3.29Å; D936-H938 PolarHBondContact O-CD2 3.2Å; D936-H938 PolarHBondContact O-N 3.31Å
937G82.3Confident82.4Confident67 Ų6768.8 Ų68.869%0.69136%0.358SS*.THydrogen-bonded Turntrans78.36.6179.500000115.1V935V935-G937 PolarHBondContact O-N 3.07Å; V935-G937 VanDerWaalsContact O-N 3.16Å
938H86.8Confident81.7Confident69 Ų6971.6 Ų71.632%0.31937%0.372SS..EExtended strand (participates in β ladder)trans-109.8132.3174.9-66.4-78000111.3L905 V934 V935 D936L905-H938 HydrophobicContact CD2-CB 4.3Å; V934-H938 CarbonylContact C-O 3.54Å; V934-H938 WeakPolarHBondContact CA-O 3.36Å; V935-H938 PolarHBondContact N-O 3.24Å; V935-H938 PolarHBondContact O-N 3.27Å; D936-H938 VanDerWaalsContact C-N 3.29Å; D936-H938 PolarHBondContact O-CD2 3.2Å; D936-H938 PolarHBondContact O-N 3.31Å
939E88.9Confident81.7Confident104 Ų10470.6 Ų70.649%0.48637%0.366SS..EExtended strand (participates in β ladder)trans-76.6124.8171.7-167172.9-171.500110.1R904 S932 H941R904-E939 PolarHBondContact NH2-O 3.49Å; S932-E939 WeakPolarHBondContact CB-OE1 3.5Å; S932-E939 PolarHBondContact OG-OE1 2.78Å; E939-H941 IonicContact OE1-CE1 2.73Å
940L87.7Confident81.4Confident0 Ų064.6 Ų64.60%034%0.344CS..EExtended strand (participates in β ladder)trans-109.9139.3176.9-54.4-174.6000109.4L901 V912 I916 S932 I933 V935 D944 L945L901-L940 HydrophobicContact CD2-CD2 3.74Å; V912-L940 HydrophobicContact CG1-CD1 4.35Å; V912-L940 HydrophobicContact CG1-CD2 4.27Å; I916-L940 HydrophobicContact CD1-CD1 3.64Å; I916-L940 HydrophobicContact CG1-CD1 3.69Å; S932-L940 CarbonylContact C-O 3.53Å; S932-L940 WeakPolarHBondContact CA-O 3.34Å; I933-L940 HydrophobicContact CG2-CB 4.02Å; I933-L940 PolarHBondContact N-O 2.86Å; I933-L940 PolarHBondContact O-N 3.04Å; V935-L940 HydrophobicContact CB-CD1 3.84Å; V935-L940 HydrophobicContact CB-CG 4.4Å; V935-L940 HydrophobicContact CG2-CD1 3.56Å; V935-L940 HydrophobicContact CG2-CG 4.25Å; L940-D944 WeakPolarHBondContact CA-OD2 3.3Å; L940-D944 HydrophobicContact CB-CB 4.19Å; L940-D944 HydrophobicContact CD2-CB 4.33Å; L940-L945 HydrophobicContact CB-CD1 4.28Å; L940-L945 HydrophobicContact CB-CG 4.44Å; L940-L945 HydrophobicContact CD1-CD1 4.09Å; L940-L945 HydrophobicContact CD1-CD2 3.94Å; L940-L945 HydrophobicContact CD1-CG 4.18Å
941H85.8Confident80.9Confident71 Ų7161.5 Ų61.533%0.32932%0.323SS..EExtended strand (participates in β ladder)trans-115.1174.8177.6-62.7-66000111.1E939 E943 D944E939-H941 IonicContact OE1-CE1 2.73Å; H941-E943 HydrophobicContact CB-CG 4.36Å; H941-E943 PolarHBondContact O-N 2.85Å; H941-E943 VanDerWaalsContact O-N 3.11Å; H941-D944 PolarHBondContact N-OD2 3.01Å; H941-D944 VanDerWaalsContact O-CB 3.3Å; H941-D944 WeakPolarHBondContact O-CB 3.46Å; H941-D944 PolarHBondContact O-N 3.22Å
942E79.7Confident80Confident137 Ų13762.3 Ų62.364%0.6432%0.321SS*.G310 helixtrans-53-33.5-178.9-68.9-174.4163.500114.1F927 D944 L945F927-E942 HydrophobicContact CZ-CG 4.47Å; E942-D944 PolarHBondContact O-N 2.88Å; E942-L945 VanDerWaalsContact O-O 3.13Å
943E79.3Confident78.4Confident132 Ų13269.7 Ų69.762%0.61735%0.352SS*.G310 helixtrans-72.7-13.3177.858.8-176.1-170.900114.3H941H941-E943 HydrophobicContact CB-CG 4.36Å; H941-E943 PolarHBondContact O-N 2.85Å; H941-E943 VanDerWaalsContact O-N 3.11Å
944D82Confident76.4Confident0 Ų074.5 Ų74.50%038%0.382CS..G310 helixtrans-91.7-23-179.3-65.2-51.5000113.1D897 V900 L901 R904 L940 H941 E942D897-D944 PolarHBondContact N-O 3.25Å; V900-D944 WeakPolarHBondContact CG1-OD1 3.43Å; L901-D944 HydrophobicContact CD1-CB 4.25Å; L901-D944 WeakPolarHBondContact CD1-O 3.39Å; L901-D944 HydrophobicContact CD2-CB 3.85Å; L901-D944 HydrophobicContact CG-CB 4.03Å; R904-D944 IonicContact CZ-OD1 3.72Å; R904-D944 VanDerWaalsContact CZ-OD1 3.24Å; R904-D944 IonicContact CZ-OD2 2.79Å; R904-D944 VanDerWaalsContact NH1-CG 3.3Å; R904-D944 IonicContact NH1-OD1 3.23Å; R904-D944 PolarHBondContact NH1-OD1 2.93Å; R904-D944 IonicContact NH1-OD2 2.77Å; R904-D944 PolarHBondContact NH1-OD2 2.83Å; R904-D944 VanDerWaalsContact NH2-CG 3.27Å; R904-D944 IonicContact NH2-OD1 3.38Å; R904-D944 PolarHBondContact NH2-OD1 3.08Å; R904-D944 IonicContact NH2-OD2 3.28Å; R904-D944 PolarHBondContact NH2-OD2 2.9Å; L940-D944 WeakPolarHBondContact CA-OD2 3.3Å; L940-D944 HydrophobicContact CB-CB 4.19Å; L940-D944 HydrophobicContact CD2-CB 4.33Å; H941-D944 PolarHBondContact N-OD2 3.01Å; H941-D944 VanDerWaalsContact O-CB 3.3Å; H941-D944 WeakPolarHBondContact O-CB 3.46Å; H941-D944 PolarHBondContact O-N 3.22Å; E942-D944 PolarHBondContact O-N 2.88Å
945L82.3Confident74.6Confident14 Ų1471.2 Ų71.27%0.07336%0.364CS..EExtended strand (participates in β ladder)trans-127.7134.6-169.2-64.5-179.3000112A894 I916 F927 I933 L940 E942A894-L945 HydrophobicContact CB-CD2 4.42Å; I916-L945 HydrophobicContact CB-CD2 4.3Å; I916-L945 HydrophobicContact CD1-CD2 3.57Å; I916-L945 HydrophobicContact CG1-CD2 3.77Å; I916-L945 HydrophobicContact CG2-CD2 3.49Å; I916-L945 VanDerWaalsContact CG2-CD2 3.49Å; F927-L945 HydrophobicContact CD1-CD1 4.31Å; F927-L945 HydrophobicContact CE1-CB 4.12Å; F927-L945 HydrophobicContact CE1-CD1 3.86Å; F927-L945 HydrophobicContact CE2-CD1 4.24Å; F927-L945 HydrophobicContact CZ-CB 4.22Å; F927-L945 HydrophobicContact CZ-CD1 3.81Å; F927-L945 HydrophobicContact CZ-CG 4.38Å; I933-L945 HydrophobicContact CG2-CD1 3.84Å; L940-L945 HydrophobicContact CB-CD1 4.28Å; L940-L945 HydrophobicContact CB-CG 4.44Å; L940-L945 HydrophobicContact CD1-CD1 4.09Å; L940-L945 HydrophobicContact CD1-CD2 3.94Å; L940-L945 HydrophobicContact CD1-CG 4.18Å; E942-L945 VanDerWaalsContact O-O 3.13Å
946R76.2Confident72.9Confident175 Ų17578.5 Ų78.566%0.6640%0.403SS*.EExtended strand (participates in β ladder)trans-104110.4168.6-167.6175.6-172.6171.32.6109.8E895E895-R946 HydrophobicContact CB-CB 4.49Å; E895-R946 PolarHBondContact N-O 3Å; E895-R946 PolarHBondContact O-N 2.86Å
947L74.4Confident71.4Confident42 Ų4276.1 Ų76.122%0.2239%0.393CS..EExtended strand (participates in β ladder)trans-78.9137.4175.7-60.1177.2000110.8L892 R893 A894 L924 F927 Q928L892-L947 HydrophobicContact CD2-CB 3.94Å; L892-L947 HydrophobicContact CD2-CD1 4.33Å; L892-L947 HydrophobicContact CD2-CD2 4.5Å; L892-L947 HydrophobicContact CD2-CG 4.49Å; R893-L947 CarbonylContact O-C 3.59Å; A894-L947 HydrophobicContact CB-CD2 4.04Å; L924-L947 HydrophobicContact CB-CD2 4.21Å; L924-L947 HydrophobicContact CD1-CD2 4.34Å; L924-L947 HydrophobicContact CD2-CD2 3.84Å; L924-L947 HydrophobicContact CG-CD2 4.35Å; F927-L947 HydrophobicContact CD1-CD1 4.14Å; F927-L947 HydrophobicContact CD1-CD2 4.27Å; F927-L947 HydrophobicContact CE1-CD1 4.32Å; F927-L947 HydrophobicContact CE1-CD2 4.47Å; F927-L947 HydrophobicContact CE1-CG 4.5Å; Q928-L947 HydrophobicContact CG-CD1 3.67Å
948M68.3Low70Confident65 Ų6574.9 Ų74.932%0.3238%0.376SS..EExtended strand (participates in β ladder)trans-135.4145.8177.5-62.5-171.66900109.4L892 R893 E895L892-M948 CarbonylContact C-O 3.6Å; R893-M948 PolarHBondContact N-O 3.37Å; R893-M948 PolarHBondContact O-N 2.85Å; R893-M948 VanDerWaalsContact O-O 3.1Å; E895-M948 HydrophobicContact CG-SD 4.07Å
949Y71.8Confident68.8Low42 Ų4275.7 Ų75.717%0.16540%0.395CS..EExtended strand (participates in β ladder)trans-96.1137.2172.5-65.4-94.1000109.9I890 R891 L892 S965 L970I890-Y949 HydrophobicContact CG2-CD1 3.71Å; I890-Y949 HydrophobicContact CG2-CG 4.07Å; R891-Y949 WeakPolarHBondContact O-CA 3.22Å; L892-Y949 HydrophobicContact CD1-CE1 3.91Å; L892-Y949 HydrophobicContact CD2-CD1 4.25Å; L892-Y949 HydrophobicContact CD2-CE1 3.88Å; L892-Y949 HydrophobicContact CD2-CE2 4.21Å; L892-Y949 HydrophobicContact CG-CD1 3.9Å; L892-Y949 HydrophobicContact CG-CE1 3.6Å; Y949-S965 VanDerWaalsContact CD2-CB 3.41Å; Y949-S965 WeakPolarHBondContact CD2-OG 3.37Å; Y949-S965 WeakPolarHBondContact CE2-OG 3.43Å; Y949-L970 HydrophobicContact CD1-CD2 4.18Å; Y949-L970 HydrophobicContact CD2-CD1 4.29Å; Y949-L970 HydrophobicContact CE1-CD2 4.49Å; Y949-L970 HydrophobicContact CG-CD1 4.15Å; Y949-L970 HydrophobicContact CG-CD2 4.34Å
950T67.6Low68.1Low55 Ų5574.2 Ų74.234%0.33739%0.388SS..EExtended strand (participates in β ladder)trans-134.8147.1179.354.70000110.6R891 R893R891-T950 PolarHBondContact N-O 2.98Å; R891-T950 PolarHBondContact O-N 2.99Å; R893-T950 HydrophobicContact CB-CG2 4.38Å
951F68.2Low67.8Low35 Ų3575.3 Ų75.315%0.15439%0.392CS..EExtended strand (participates in β ladder)trans-75.1146174.5-64.8-80.7000111.9I890 Q953 A958 Y961 A963 L972I890-F951 HydrophobicContact CD1-CE1 4.31Å; I890-F951 HydrophobicContact CG1-CD1 4.15Å; I890-F951 HydrophobicContact CG1-CE1 4.05Å; F951-Q953 PolarHBondContact O-N 2.92Å; F951-A958 HydrophobicContact CB-CB 4Å; F951-A958 HydrophobicContact CG-CB 4.47Å; F951-Y961 VanDerWaalsContact CE2-O 3.25Å; F951-Y961 WeakPolarHBondContact CE2-O 3.36Å; F951-Y961 VanDerWaalsContact CZ-O 3.31Å; F951-Y961 WeakPolarHBondContact CZ-O 2.93Å; F951-A963 HydrophobicContact CD2-CB 4.44Å; F951-A963 HydrophobicContact CE2-CB 3.52Å; F951-A963 HydrophobicContact CZ-CB 3.64Å; F951-L972 HydrophobicContact CE1-CD2 3.87Å; F951-L972 HydrophobicContact CZ-CD2 3.52Å
952D61Low67.7Low40 Ų4073.5 Ų73.521%0.21438%0.384CS..  trans-67.2122.3169.8-158.6-23.8000110.1G889 R891 T954 S955G889-D952 PolarHBondContact O-N 2.87Å; R891-D952 IonicContact CZ-OD2 3.13Å; R891-D952 IonicContact NE-OD2 2.86Å; R891-D952 PolarHBondContact NE-OD2 2.99Å; R891-D952 VanDerWaalsContact NE-OD2 3.11Å; R891-D952 IonicContact NH2-OD2 2.66Å; R891-D952 PolarHBondContact NH2-OD2 2.77Å; D952-T954 PolarHBondContact O-N 2.83Å; D952-T954 PolarHBondContact OD1-OG1 2.86Å; D952-T954 VanDerWaalsContact OD1-OG1 3.05Å; D952-S955 PolarHBondContact O-N 3.03Å; D952-S955 VanDerWaalsContact O-N 3.16Å; D952-S955 PolarHBondContact O-OG 3.26Å
953Q52.5Low67.8Low194 Ų19467.4 Ų67.491%0.90736%0.357SS*.THydrogen-bonded Turntrans-64.2-3.8-174.6-69.9-175-4.500113.9F951F951-Q953 PolarHBondContact O-N 2.92Å
954T47.8Very low68Low126 Ų12663.3 Ų63.377%0.77334%0.338SS*.THydrogen-bonded Turntrans-103.4-0.8-179.453.70000114.2D952D952-T954 PolarHBondContact O-N 2.83Å; D952-T954 PolarHBondContact OD1-OG1 2.86Å; D952-T954 VanDerWaalsContact OD1-OG1 3.05Å
955S51.7Low68Low32 Ų3264.2 Ų64.222%0.22434%0.344CS..SBendtrans-104.5136.1-178.765.60000112.6D952 S957 A958D952-S955 PolarHBondContact O-N 3.03Å; D952-S955 VanDerWaalsContact O-N 3.16Å; D952-S955 PolarHBondContact O-OG 3.26Å; S955-S957 PolarHBondContact O-N 2.89Å; S955-A958 PolarHBondContact O-N 3.36Å
956D51.7Low67.7Low160 Ų16066.3 Ų66.386%0.85636%0.355SS*.THydrogen-bonded Turntrans-57.9-17.2172.4-80.1-30.2000112.6A958 A959D956-A958 VanDerWaalsContact C-N 3.26Å; D956-A958 PolarHBondContact O-N 2.9Å; D956-A959 PolarHBondContact O-N 2.8Å
957S52.6Low67.2Low38 Ų3862.3 Ų62.327%0.26636%0.359SS..Hα-helixtrans-61.4-27.2177.2-52.10000114S955 A959 Q960 Y961S955-S957 PolarHBondContact O-N 2.89Å; S957-A959 PolarHBondContact O-N 2.9Å; S957-Q960 PolarHBondContact O-N 3.41Å; S957-Y961 PolarHBondContact O-N 3.45Å
958A54.9Low67.1Low41 Ų4167.1 Ų67.134%0.33938%0.381SS..Hα-helixtrans-69.2-17.8178.500000113.6F951 S955 D956F951-A958 HydrophobicContact CB-CB 4Å; F951-A958 HydrophobicContact CG-CB 4.47Å; S955-A958 PolarHBondContact O-N 3.36Å; D956-A958 VanDerWaalsContact C-N 3.26Å; D956-A958 PolarHBondContact O-N 2.9Å
959A60.1Low67.8Low86 Ų8664.4 Ų64.471%0.71137%0.368SS*.Hα-helixtrans-90-22176.100000113.2D956 S957D956-A959 PolarHBondContact O-N 2.8Å; S957-A959 PolarHBondContact O-N 2.9Å
960Q73.9Confident68.5Low73 Ų7362.7 Ų62.734%0.34136%0.362SS..Hα-helixtrans-94.5-46.4-174.7-171.2-175.6-8.700112.6S957 D974 V975 T976S957-Q960 PolarHBondContact O-N 3.41Å; Q960-D974 PolarHBondContact NE2-OD2 3.18Å; Q960-V975 PolarHBondContact O-N 3Å; Q960-T976 WeakPolarHBondContact CG-OG1 3.5Å
961Y82.2Confident69.5Low23 Ų2360.1 Ų60.19%0.0935%0.346CS..EExtended strand (participates in β ladder)trans-112.5145.7-173.6-65-83.7000112.3E849 V851 F951 S957 L972 L973 D974E849-Y961 PolarHBondContact OE2-OH 2.78Å; V851-Y961 HydrophobicContact CG2-CE1 3.97Å; F951-Y961 VanDerWaalsContact CE2-O 3.25Å; F951-Y961 WeakPolarHBondContact CE2-O 3.36Å; F951-Y961 VanDerWaalsContact CZ-O 3.31Å; F951-Y961 WeakPolarHBondContact CZ-O 2.93Å; S957-Y961 PolarHBondContact O-N 3.45Å; Y961-L972 HydrophobicContact CD1-CB 4.1Å; Y961-L972 HydrophobicContact CG-CB 4.45Å; Y961-L973 WeakPolarHBondContact CA-O 3.45Å; Y961-D974 HydrophobicContact CD1-CB 4Å; Y961-D974 HydrophobicContact CE1-CB 3.75Å
962E83.1Confident70.5Confident34 Ų3458.4 Ų58.416%0.15934%0.338CS..EExtended strand (participates in β ladder)trans-113.4139.2166.2-81.6-70.2166.200111I835 K839 L972 L973 V975I835-E962 HydrophobicContact CG2-CB 3.44Å; I835-E962 VanDerWaalsContact CG2-CB 3.44Å; K839-E962 HydrophobicContact CD-CG 4.28Å; K839-E962 WeakPolarHBondContact CE-OE1 3.37Å; K839-E962 HydrophobicContact CG-CG 4.01Å; K839-E962 IonicContact NZ-OE1 2.72Å; K839-E962 PolarHBondContact NZ-OE1 3.24Å; E962-L972 CarbonylContact O-C 3.41Å; E962-L972 VanDerWaalsContact O-CA 3.3Å; E962-L972 WeakPolarHBondContact O-CA 3.49Å; E962-L973 PolarHBondContact N-O 2.92Å; E962-L973 PolarHBondContact O-N 3.32Å; E962-V975 HydrophobicContact CB-CG1 4.16Å; E962-V975 HydrophobicContact CG-CG1 4.21Å; E962-V975 HydrophobicContact CG-CG2 3.91Å
963A83.1Confident71.8Confident9 Ų956.5 Ų56.57%0.07433%0.328CS..EExtended strand (participates in β ladder)trans-112.6143.5-171.700000112.2R838 F951 L970 V971 L972R838-A963 PolarHBondContact NH1-O 3.39Å; F951-A963 HydrophobicContact CD2-CB 4.44Å; F951-A963 HydrophobicContact CE2-CB 3.52Å; F951-A963 HydrophobicContact CZ-CB 3.64Å; A963-L970 HydrophobicContact CB-CD1 4.28Å; A963-V971 WeakPolarHBondContact CA-O 3.3Å; A963-L972 HydrophobicContact CB-CD2 3.48Å; A963-L972 VanDerWaalsContact CB-CD2 3.48Å
964H83.7Confident73.5Confident46 Ų4647.5 Ų47.521%0.21329%0.286CS..EExtended strand (participates in β ladder)trans-145.3145.1160.8-155.1-53000109.1L831 V834 I835 R838 V971L831-H964 HydrophobicContact CD2-CB 4.13Å; L831-H964 VanDerWaalsContact CD2-ND1 3.29Å; L831-H964 WeakPolarHBondContact CD2-ND1 3.39Å; V834-H964 WeakPolarHBondContact CG1-CD2 3.48Å; I835-H964 HydrophobicContact CD1-CB 3.84Å; I835-H964 HydrophobicContact CG1-CB 3.59Å; R838-H964 PolarHBondContact NH2-CD2 3.2Å; R838-H964 PolarHBondContact NH2-NE2 2.81Å; R838-H964 VanDerWaalsContact NH2-NE2 3.14Å; H964-V971 PolarHBondContact N-O 3.05Å; H964-V971 PolarHBondContact O-N 3.19Å; H964-V971 VanDerWaalsContact O-O 3.11Å
965S81.2Confident75.3Confident19 Ų1942.9 Ų42.913%0.13326%0.258CS..EExtended strand (participates in β ladder)trans-126.8163.9172.474.30000111.3Y949 V969Y949-S965 VanDerWaalsContact CD2-CB 3.41Å; Y949-S965 WeakPolarHBondContact CD2-OG 3.37Å; Y949-S965 WeakPolarHBondContact CE2-OG 3.43Å; S965-V969 CarbonylContact C-O 3.6Å; S965-V969 WeakPolarHBondContact CA-O 3.11Å; S965-V969 WeakPolarHBondContact CB-O 3.39Å
966D76.3Confident76.7Confident58 Ų5843.6 Ų43.631%0.3126%0.261SS..  trans-108.3-157.6150.966.224.7000109.3S827 L831 Q968 V969S827-D966 PolarHBondContact OG-OD2 3.44Å; L831-D966 HydrophobicContact CD1-CB 4.48Å; D966-Q968 VanDerWaalsContact C-N 3.3Å; D966-Q968 PolarHBondContact O-N 3.17Å; D966-Q968 PolarHBondContact OD1-N 2.88Å; D966-V969 PolarHBondContact N-O 3.23Å; D966-V969 PolarHBondContact OD1-N 3.46Å
967A66Low77.4Confident90 Ų9041.5 Ų41.574%0.74426%0.256SS*.SBendtrans-69.9-23.3179.900000113.8
968Q70.7Confident78.3Confident143 Ų14341.9 Ų41.967%0.66826%0.255SS*.SBendtrans-118-36.2-169.5-63.9-177-1.300112.9H854 D966H854-Q968 PolarHBondContact CD2-O 3.19Å; H854-Q968 PolarHBondContact NE2-O 3.3Å; D966-Q968 VanDerWaalsContact C-N 3.3Å; D966-Q968 PolarHBondContact O-N 3.17Å; D966-Q968 PolarHBondContact OD1-N 2.88Å
969V83.6Confident79.2Confident9 Ų945.4 Ų45.46%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-124142.2-175.273.30000112.2V828 L831 V852 S965 D966 V971V828-V969 HydrophobicContact CG2-CG2 4.2Å; L831-V969 HydrophobicContact CD1-CG1 3.51Å; V852-V969 HydrophobicContact CG1-CG2 3.4Å; V852-V969 VanDerWaalsContact CG1-CG2 3.4Å; S965-V969 CarbonylContact C-O 3.6Å; S965-V969 WeakPolarHBondContact CA-O 3.11Å; S965-V969 WeakPolarHBondContact CB-O 3.39Å; D966-V969 PolarHBondContact N-O 3.23Å; D966-V969 PolarHBondContact OD1-N 3.46Å; V969-V971 HydrophobicContact CG2-CG2 4.48Å
970L86Confident79.9Confident6 Ų643.9 Ų43.93%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-115.1126.6174167.865.9000108.9I853 I890 Y949 A963I853-L970 HydrophobicContact CB-CB 4.17Å; I853-L970 HydrophobicContact CB-CD2 4.26Å; I853-L970 HydrophobicContact CB-CG 4.37Å; I853-L970 HydrophobicContact CD1-CD2 4.1Å; I853-L970 PolarHBondContact N-O 3.47Å; I853-L970 PolarHBondContact O-N 3.24Å; I890-L970 HydrophobicContact CD1-CD2 3.68Å; I890-L970 HydrophobicContact CD1-CG 4.42Å; I890-L970 HydrophobicContact CG2-CD2 4.02Å; Y949-L970 HydrophobicContact CD1-CD2 4.18Å; Y949-L970 HydrophobicContact CD2-CD1 4.29Å; Y949-L970 HydrophobicContact CE1-CD2 4.49Å; Y949-L970 HydrophobicContact CG-CD1 4.15Å; Y949-L970 HydrophobicContact CG-CD2 4.34Å; A963-L970 HydrophobicContact CB-CD1 4.28Å
971V89.1Confident79.7Confident0 Ų040.8 Ų40.80%023%0.234CC..EExtended strand (participates in β ladder)trans-116.5130.9-178.9179.60000109.2V828 L831 I835 V850 V851 V852 A963 H964 V969V828-V971 HydrophobicContact CB-CG2 4.38Å; V828-V971 HydrophobicContact CG1-CG2 4.22Å; V828-V971 HydrophobicContact CG2-CG2 4.27Å; L831-V971 HydrophobicContact CB-CB 4.01Å; L831-V971 HydrophobicContact CB-CG2 3.85Å; L831-V971 HydrophobicContact CD1-CB 4.46Å; L831-V971 HydrophobicContact CD1-CG2 3.76Å; L831-V971 HydrophobicContact CG-CG2 4.48Å; I835-V971 HydrophobicContact CD1-CB 4.39Å; I835-V971 HydrophobicContact CD1-CG1 4.12Å; I835-V971 WeakPolarHBondContact CD1-O 3.4Å; V850-V971 HydrophobicContact CG2-CG1 3.64Å; V851-V971 CarbonylContact O-C 3.58Å; V851-V971 WeakPolarHBondContact O-CA 3.48Å; V852-V971 HydrophobicContact CG2-CG2 4.47Å; A963-V971 WeakPolarHBondContact CA-O 3.3Å; H964-V971 PolarHBondContact N-O 3.05Å; H964-V971 PolarHBondContact O-N 3.19Å; H964-V971 VanDerWaalsContact O-O 3.11Å; V969-V971 HydrophobicContact CG2-CG2 4.48Å
972L88.9Confident79.3Confident0 Ų041.8 Ų41.80%024%0.243CC..EExtended strand (participates in β ladder)trans-114135.7171.8-52162.5000108.6V850 V851 I853 Y888 I890 F951 Y961 E962 A963V850-L972 CarbonylContact C-O 3.59Å; V850-L972 VanDerWaalsContact CA-O 3.32Å; V850-L972 WeakPolarHBondContact CA-O 3.27Å; V851-L972 HydrophobicContact CB-CB 4Å; V851-L972 HydrophobicContact CB-CD1 4.03Å; V851-L972 HydrophobicContact CB-CG 4.44Å; V851-L972 HydrophobicContact CG1-CD1 4.23Å; V851-L972 HydrophobicContact CG2-CB 4.46Å; V851-L972 PolarHBondContact N-O 3.43Å; V851-L972 PolarHBondContact O-N 3.37Å; I853-L972 HydrophobicContact CD1-CD1 3.83Å; Y888-L972 HydrophobicContact CD1-CD1 3.73Å; Y888-L972 HydrophobicContact CD2-CD1 4.19Å; Y888-L972 HydrophobicContact CE1-CD1 4.36Å; Y888-L972 HydrophobicContact CG-CD1 3.64Å; I890-L972 HydrophobicContact CD1-CD1 3.75Å; I890-L972 HydrophobicContact CD1-CD2 3.45Å; I890-L972 VanDerWaalsContact CD1-CD2 3.45Å; I890-L972 HydrophobicContact CD1-CG 4.05Å; F951-L972 HydrophobicContact CE1-CD2 3.87Å; F951-L972 HydrophobicContact CZ-CD2 3.52Å; Y961-L972 HydrophobicContact CD1-CB 4.1Å; Y961-L972 HydrophobicContact CG-CB 4.45Å; E962-L972 CarbonylContact O-C 3.41Å; E962-L972 VanDerWaalsContact O-CA 3.3Å; E962-L972 WeakPolarHBondContact O-CA 3.49Å; A963-L972 HydrophobicContact CB-CD2 3.48Å; A963-L972 VanDerWaalsContact CB-CD2 3.48Å
973L89.1Confident79.3Confident0 Ų042 Ų420%025%0.245CC..EExtended strand (participates in β ladder)trans-121.6126.2177.2-165.166.7000109.3I835 R836 L847 V850 V876 Y961 E962 V975I835-L973 HydrophobicContact CB-CB 4.41Å; I835-L973 HydrophobicContact CB-CD2 4.26Å; I835-L973 HydrophobicContact CD1-CB 4.16Å; I835-L973 HydrophobicContact CG2-CB 3.79Å; I835-L973 HydrophobicContact CG2-CD2 3.95Å; R836-L973 HydrophobicContact CG-CD2 3.6Å; L847-L973 HydrophobicContact CD1-CD1 4Å; L847-L973 HydrophobicContact CD1-CD2 3.42Å; L847-L973 VanDerWaalsContact CD1-CD2 3.42Å; L847-L973 HydrophobicContact CD1-CG 3.61Å; V850-L973 HydrophobicContact CB-CD1 3.92Å; V850-L973 HydrophobicContact CG2-CD1 4.21Å; V876-L973 HydrophobicContact CG2-CD1 3.9Å; Y961-L973 WeakPolarHBondContact CA-O 3.45Å; E962-L973 PolarHBondContact N-O 2.92Å; E962-L973 PolarHBondContact O-N 3.32Å; L973-V975 PolarHBondContact O-N 2.93Å
974D88.6Confident79.1Confident4 Ų443.5 Ų43.52%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-71.2114.7174-171.4-36.3000108.7K848 E849 Q960 Y961 T976K848-D974 HydrophobicContact CB-CB 4.21Å; E849-D974 HydrophobicContact CB-CB 4.29Å; E849-D974 PolarHBondContact O-N 2.84Å; Q960-D974 PolarHBondContact NE2-OD2 3.18Å; Y961-D974 HydrophobicContact CD1-CB 4Å; Y961-D974 HydrophobicContact CE1-CB 3.75Å; D974-T976 WeakPolarHBondContact OD1-CB 3.36Å; D974-T976 PolarHBondContact OD1-N 2.96Å; D974-T976 PolarHBondContact OD1-OG1 3.41Å
975V84.5Confident78.8Confident29 Ų2941.3 Ų41.318%0.17624%0.24CC..  trans-105.811.7-177.3-64.70000112.5K839 L841 Q960 E962 L973K839-V975 HydrophobicContact CG-CG1 4.47Å; L841-V975 HydrophobicContact CD1-CB 3.87Å; L841-V975 HydrophobicContact CD1-CG1 3.53Å; Q960-V975 PolarHBondContact O-N 3Å; E962-V975 HydrophobicContact CB-CG1 4.16Å; E962-V975 HydrophobicContact CG-CG1 4.21Å; E962-V975 HydrophobicContact CG-CG2 3.91Å; L973-V975 PolarHBondContact O-N 2.93Å
976T81.3Confident78.9Confident47 Ų4740.4 Ų40.429%0.28823%0.234SC..  trans-69125.5-176.2-34.10000110.4Q960 D974 D978Q960-T976 WeakPolarHBondContact CG-OG1 3.5Å; D974-T976 WeakPolarHBondContact OD1-CB 3.36Å; D974-T976 PolarHBondContact OD1-N 2.96Å; D974-T976 PolarHBondContact OD1-OG1 3.41Å; T976-D978 PolarHBondContact O-N 3.26Å
977P65.9Low79.2Confident116 Ų11637.7 Ų37.775%0.75322%0.219SC*.  trans-65.8130.6-178.223.4-30.9000111.7
978D72.6Confident80Confident46 Ų4636.4 Ų36.425%0.24620%0.195CC..  trans-124.4120.4172.9177.1-16.3000108.2T976 S980 M981 V982T976-D978 PolarHBondContact O-N 3.26Å; D978-S980 VanDerWaalsContact CG-OG 3.27Å; D978-S980 PolarHBondContact O-N 3.37Å; D978-S980 WeakPolarHBondContact OD1-CB 3.44Å; D978-S980 PolarHBondContact OD1-N 2.91Å; D978-S980 PolarHBondContact OD1-OG 3.21Å; D978-S980 PolarHBondContact OD2-OG 3.46Å; D978-M981 HydrophobicContact CB-CB 4.23Å; D978-M981 HydrophobicContact CB-CE 4.41Å; D978-M981 HydrophobicContact CB-CG 3.79Å; D978-M981 HydrophobicContact CB-SD 3.8Å; D978-M981 WeakPolarHBondContact O-CB 3.46Å; D978-M981 PolarHBondContact O-N 3.07Å; D978-V982 PolarHBondContact O-N 3.42Å; D978-V982 VanDerWaalsContact O-N 3.16Å
979Q74.3Confident80.6Confident115 Ų11531.4 Ų31.454%0.53717%0.172SC..Hα-helixtrans-57.8-36.9-174.4-171.159.250.900112.4M981 V982 D983 Y1021Q979-M981 PolarHBondContact O-N 3.4Å; Q979-V982 WeakPolarHBondContact O-CB 3.48Å; Q979-V982 PolarHBondContact O-N 3.04Å; Q979-V982 VanDerWaalsContact O-N 3.13Å; Q979-D983 PolarHBondContact NE2-OD1 3.02Å; Q979-D983 PolarHBondContact O-N 3.39Å; Q979-D983 VanDerWaalsContact O-OD1 3.12Å; Q979-Y1021 PolarHBondContact NE2-OH 3.49Å
980S73.3Confident80.7Confident55 Ų5531 Ų3139%0.38517%0.169SC..Hα-helixtrans-63.3-31.4177.369.20000112.6D978 E984D978-S980 VanDerWaalsContact CG-OG 3.27Å; D978-S980 PolarHBondContact O-N 3.37Å; D978-S980 WeakPolarHBondContact OD1-CB 3.44Å; D978-S980 PolarHBondContact OD1-N 2.91Å; D978-S980 PolarHBondContact OD1-OG 3.21Å; D978-S980 PolarHBondContact OD2-OG 3.46Å; S980-E984 PolarHBondContact O-N 3.02Å
981M70.9Confident80.8Confident8 Ų831.3 Ų31.34%0.03917%0.171CC..Hα-helixtrans-77.4-31.7177.2-60-175.2173.800111.8P846 K848 D978 Q979 G985P846-M981 WeakPolarHBondContact CD-O 3.44Å; P846-M981 HydrophobicContact CG-CB 3.84Å; P846-M981 HydrophobicContact CG-CG 3.97Å; K848-M981 HydrophobicContact CB-CE 4.36Å; K848-M981 HydrophobicContact CG-CE 3.45Å; K848-M981 VanDerWaalsContact CG-CE 3.45Å; K848-M981 HydrophobicContact CG-SD 4.14Å; D978-M981 HydrophobicContact CB-CB 4.23Å; D978-M981 HydrophobicContact CB-CE 4.41Å; D978-M981 HydrophobicContact CB-CG 3.79Å; D978-M981 HydrophobicContact CB-SD 3.8Å; D978-M981 WeakPolarHBondContact O-CB 3.46Å; D978-M981 PolarHBondContact O-N 3.07Å; Q979-M981 PolarHBondContact O-N 3.4Å; M981-G985 PolarHBondContact O-N 3.05Å
982V73.9Confident80.6Confident43 Ų4333.8 Ų33.826%0.26118%0.184SC..Hα-helixtrans-64.7-45.7172.8-175.20000110.1Y845 D978 Q979 G985 V986 Y1021Y845-V982 HydrophobicContact CE1-CB 4.49Å; Y845-V982 HydrophobicContact CE1-CG1 4.13Å; D978-V982 PolarHBondContact O-N 3.42Å; D978-V982 VanDerWaalsContact O-N 3.16Å; Q979-V982 WeakPolarHBondContact O-CB 3.48Å; Q979-V982 PolarHBondContact O-N 3.04Å; Q979-V982 VanDerWaalsContact O-N 3.13Å; V982-G985 PolarHBondContact O-N 3.46Å; V982-V986 WeakPolarHBondContact O-CG2 3.49Å; V982-V986 PolarHBondContact O-N 3.47Å; V982-Y1021 WeakPolarHBondContact CG1-OH 3.43Å
983D82.3Confident80.5Confident40 Ų4037.5 Ų37.521%0.21420%0.198CC..Hα-helixtrans-61.8-48.4-179-61.3-4.2000111.4Q979 G985 V986 A987 Y1021 V1025Q979-D983 PolarHBondContact NE2-OD1 3.02Å; Q979-D983 PolarHBondContact O-N 3.39Å; Q979-D983 VanDerWaalsContact O-OD1 3.12Å; D983-G985 VanDerWaalsContact C-N 3.31Å; D983-G985 PolarHBondContact O-N 2.89Å; D983-V986 PolarHBondContact O-N 3.19Å; D983-V986 VanDerWaalsContact O-N 3.15Å; D983-A987 PolarHBondContact O-N 3.34Å; D983-Y1021 WeakPolarHBondContact OD1-CE2 3.21Å; D983-Y1021 PolarHBondContact OD1-OH 2.86Å; D983-V1025 HydrophobicContact CB-CG2 4Å; D983-V1025 VanDerWaalsContact O-CG1 3.22Å; D983-V1025 WeakPolarHBondContact O-CG1 3.43Å
984E78.6Confident80.4Confident40 Ų4037.6 Ų37.619%0.18720%0.199CC..Hα-helixtrans-61.9-39.2175.3-166.5-169.5148.300111.8S980 V986 A987 R988S980-E984 PolarHBondContact O-N 3.02Å; E984-V986 VanDerWaalsContact C-N 3.32Å; E984-V986 PolarHBondContact O-N 3.12Å; E984-A987 PolarHBondContact O-N 3.5Å; E984-R988 WeakPolarHBondContact O-CG 3.18Å; E984-R988 PolarHBondContact O-N 2.96Å; E984-R988 IonicContact OE1-CZ 3.22Å; E984-R988 IonicContact OE1-NE 3.03Å; E984-R988 PolarHBondContact OE1-NE 3.29Å; E984-R988 IonicContact OE1-NH2 3.13Å; E984-R988 PolarHBondContact OE1-NH2 3Å
985G78.2Confident80.2Confident0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-59.8-41.617500000112.5M981 V982 D983 R988 E989M981-G985 PolarHBondContact O-N 3.05Å; V982-G985 PolarHBondContact O-N 3.46Å; D983-G985 VanDerWaalsContact C-N 3.31Å; D983-G985 PolarHBondContact O-N 2.89Å; G985-R988 PolarHBondContact O-N 3.09Å; G985-E989 WeakPolarHBondContact O-CG 3.43Å; G985-E989 PolarHBondContact O-N 3.48Å; G985-E989 VanDerWaalsContact O-N 3.13Å
986V82.3Confident80.3Confident0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-65.8-42.5175.5172.50000111.1V982 D983 E984 R988 E989 V990 Y1021 L1022 V1025 L1060 K1061V982-V986 WeakPolarHBondContact O-CG2 3.49Å; V982-V986 PolarHBondContact O-N 3.47Å; D983-V986 PolarHBondContact O-N 3.19Å; D983-V986 VanDerWaalsContact O-N 3.15Å; E984-V986 VanDerWaalsContact C-N 3.32Å; E984-V986 PolarHBondContact O-N 3.12Å; V986-R988 VanDerWaalsContact C-N 3.29Å; V986-R988 PolarHBondContact O-N 3.03Å; V986-E989 WeakPolarHBondContact O-CA 3.19Å; V986-E989 WeakPolarHBondContact O-CB 3.3Å; V986-E989 PolarHBondContact O-N 2.84Å; V986-V990 PolarHBondContact O-N 2.98Å; V986-V990 VanDerWaalsContact O-N 3.08Å; V986-Y1021 HydrophobicContact CG2-CE1 4.22Å; V986-L1022 HydrophobicContact CG1-CD1 3.52Å; V986-V1025 HydrophobicContact CB-CG1 4.02Å; V986-V1025 HydrophobicContact CG1-CB 4.48Å; V986-V1025 HydrophobicContact CG1-CG1 3.9Å; V986-L1060 HydrophobicContact CG1-CD2 4.33Å; V986-K1061 HydrophobicContact CG2-CG 4.09Å
987A83.4Confident80.6Confident0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-58.5-39174.200000112.4D983 E984 E989 V990 I991 V1025 H1029 F1032D983-A987 PolarHBondContact O-N 3.34Å; E984-A987 PolarHBondContact O-N 3.5Å; A987-E989 VanDerWaalsContact C-N 3.32Å; A987-E989 PolarHBondContact O-N 2.78Å; A987-V990 WeakPolarHBondContact O-CB 3.33Å; A987-V990 PolarHBondContact O-N 2.74Å; A987-I991 WeakPolarHBondContact O-CG1 3.48Å; A987-I991 PolarHBondContact O-N 3.37Å; A987-I991 VanDerWaalsContact O-N 3.09Å; A987-V1025 HydrophobicContact CB-CG1 4.16Å; A987-H1029 HydrophobicContact CB-CB 3.67Å; A987-F1032 HydrophobicContact CB-CD1 4.31Å
988R83.1Confident81.6Confident63 Ų6337 Ų3724%0.23818%0.179CC..Hα-helixtrans-67-30.3173.3-68.3176-176.7-167.70.8113.1K844 N875 E984 G985 V986 N992 F1032K844-R988 HydrophobicContact CB-CB 4.39Å; K844-R988 WeakPolarHBondContact O-CD 3.42Å; K844-R988 PolarHBondContact O-NH1 2.59Å; N875-R988 PolarHBondContact ND2-NH1 2.84Å; N875-R988 PolarHBondContact OD1-NH1 2.98Å; N875-R988 PolarHBondContact OD1-NH2 3.14Å; E984-R988 WeakPolarHBondContact O-CG 3.18Å; E984-R988 PolarHBondContact O-N 2.96Å; E984-R988 IonicContact OE1-CZ 3.22Å; E984-R988 IonicContact OE1-NE 3.03Å; E984-R988 PolarHBondContact OE1-NE 3.29Å; E984-R988 IonicContact OE1-NH2 3.13Å; E984-R988 PolarHBondContact OE1-NH2 3Å; G985-R988 PolarHBondContact O-N 3.09Å; V986-R988 VanDerWaalsContact C-N 3.29Å; V986-R988 PolarHBondContact O-N 3.03Å; R988-N992 WeakPolarHBondContact O-CB 3.39Å; R988-N992 PolarHBondContact O-N 3.46Å; R988-F1032 HydrophobicContact CG-CE1 3.65Å; R988-F1032 HydrophobicContact CG-CZ 3.81Å
989E83.6Confident82.1Confident38 Ų3841.7 Ų41.718%0.17820%0.197CC..Hα-helixtrans-67.3-40.2172.5-63.7-157.5120.300112.1K844 G985 V986 A987 N992 R993 L1060K844-E989 HydrophobicContact CD-CG 3.99Å; K844-E989 IonicContact NZ-OE1 3.54Å; G985-E989 WeakPolarHBondContact O-CG 3.43Å; G985-E989 PolarHBondContact O-N 3.48Å; G985-E989 VanDerWaalsContact O-N 3.13Å; V986-E989 WeakPolarHBondContact O-CA 3.19Å; V986-E989 WeakPolarHBondContact O-CB 3.3Å; V986-E989 PolarHBondContact O-N 2.84Å; A987-E989 VanDerWaalsContact C-N 3.32Å; A987-E989 PolarHBondContact O-N 2.78Å; E989-N992 PolarHBondContact O-N 3.28Å; E989-R993 WeakPolarHBondContact O-CG 3.22Å; E989-R993 PolarHBondContact O-N 3.35Å; E989-L1060 HydrophobicContact CB-CD1 3.84Å; E989-L1060 HydrophobicContact CB-CD2 4.08Å; E989-L1060 HydrophobicContact CG-CD1 4.49Å; E989-L1060 VanDerWaalsContact OE2-CD1 3.25Å; E989-L1060 WeakPolarHBondContact OE2-CD1 3.28Å
990V85.5Confident82.7Confident0 Ų042.1 Ų42.10%020%0.197CC..Hα-helixtrans-57.5-51.5172.91740000110.3V986 A987 N992 R993 I994 L1022 I1026 I1033 L1060 L1065 F1067V986-V990 PolarHBondContact O-N 2.98Å; V986-V990 VanDerWaalsContact O-N 3.08Å; A987-V990 WeakPolarHBondContact O-CB 3.33Å; A987-V990 PolarHBondContact O-N 2.74Å; V990-N992 VanDerWaalsContact C-N 3.31Å; V990-N992 PolarHBondContact O-N 3.17Å; V990-R993 PolarHBondContact O-N 3.14Å; V990-R993 VanDerWaalsContact O-N 3.11Å; V990-I994 HydrophobicContact CG1-CD1 4.17Å; V990-I994 WeakPolarHBondContact O-CG1 3.32Å; V990-I994 PolarHBondContact O-N 3.05Å; V990-I994 VanDerWaalsContact O-N 3.07Å; V990-L1022 HydrophobicContact CG2-CD1 4.22Å; V990-I1026 HydrophobicContact CG1-CD1 4.45Å; V990-I1026 HydrophobicContact CG1-CG1 4.35Å; V990-I1026 HydrophobicContact CG2-CD1 4.22Å; V990-I1026 HydrophobicContact CG2-CG1 4.05Å; V990-I1033 HydrophobicContact CG1-CD1 4.16Å; V990-L1060 HydrophobicContact CG2-CD2 3.87Å; V990-L1065 HydrophobicContact CG2-CD2 4.24Å; V990-F1067 HydrophobicContact CG1-CE1 4.33Å; V990-F1067 HydrophobicContact CG1-CZ 3.85Å
991I86.9Confident83.2Confident14 Ų1440.6 Ų40.67%0.07219%0.187CC..Hα-helixtrans-53.8-47.5175.7-66.4165.4000111.2A987 R993 I994 Q995 F1032 I1033 T1036 T1037A987-I991 WeakPolarHBondContact O-CG1 3.48Å; A987-I991 PolarHBondContact O-N 3.37Å; A987-I991 VanDerWaalsContact O-N 3.09Å; I991-R993 VanDerWaalsContact C-N 3.32Å; I991-R993 PolarHBondContact O-N 3.2Å; I991-I994 PolarHBondContact O-N 3.23Å; I991-Q995 HydrophobicContact CG2-CG 4.3Å; I991-Q995 WeakPolarHBondContact O-CG 3.03Å; I991-Q995 PolarHBondContact O-N 2.94Å; I991-F1032 HydrophobicContact CD1-CD1 3.9Å; I991-F1032 HydrophobicContact CD1-CE1 3.5Å; I991-F1032 HydrophobicContact CD1-CZ 4.07Å; I991-I1033 HydrophobicContact CD1-CG1 4.27Å; I991-I1033 HydrophobicContact CG1-CB 4.23Å; I991-I1033 HydrophobicContact CG1-CG1 3.98Å; I991-I1033 HydrophobicContact CG1-CG2 4.07Å; I991-T1036 HydrophobicContact CD1-CG2 4.12Å; I991-T1036 HydrophobicContact CG2-CG2 3.64Å; I991-T1037 HydrophobicContact CG1-CG2 4.41Å; I991-T1037 HydrophobicContact CG2-CG2 4.29Å
992N85Confident83.6Confident52 Ų5248.2 Ų48.228%0.27822%0.223SC..Hα-helixtrans-63.2-36.2-179.2174.653.8000112.6K844 R988 E989 V990 Q995 K996K844-N992 PolarHBondContact NZ-ND2 2.94Å; K844-N992 VanDerWaalsContact NZ-ND2 3.19Å; R988-N992 WeakPolarHBondContact O-CB 3.39Å; R988-N992 PolarHBondContact O-N 3.46Å; E989-N992 PolarHBondContact O-N 3.28Å; V990-N992 VanDerWaalsContact C-N 3.31Å; V990-N992 PolarHBondContact O-N 3.17Å; N992-Q995 PolarHBondContact O-N 3.39Å; N992-K996 WeakPolarHBondContact O-CB 3.33Å; N992-K996 WeakPolarHBondContact O-CG 3.39Å; N992-K996 PolarHBondContact O-N 3.32Å
993R87.1Confident83.8Confident78 Ų7847.7 Ų47.729%0.29422%0.218SC..Hα-helixtrans-65.6-44.7174.8-65.9-68178.9167.84.3110.9E989 V990 I991 Q995 K996 L997 F1067E989-R993 WeakPolarHBondContact O-CG 3.22Å; E989-R993 PolarHBondContact O-N 3.35Å; V990-R993 PolarHBondContact O-N 3.14Å; V990-R993 VanDerWaalsContact O-N 3.11Å; I991-R993 VanDerWaalsContact C-N 3.32Å; I991-R993 PolarHBondContact O-N 3.2Å; R993-Q995 VanDerWaalsContact C-N 3.34Å; R993-Q995 PolarHBondContact O-N 3.02Å; R993-K996 PolarHBondContact O-N 3.45Å; R993-L997 WeakPolarHBondContact O-CB 3.49Å; R993-L997 PolarHBondContact O-N 3.44Å; R993-F1067 HydrophobicContact CB-CD2 4.33Å; R993-F1067 HydrophobicContact CB-CE2 3.63Å; R993-F1067 HydrophobicContact CB-CZ 4.43Å
994I87.4Confident83.3Confident1 Ų149.4 Ų49.41%0.00523%0.23CC..Hα-helixtrans-58.4-45.9175.3-63.4168.9000110.9V990 I991 L997 R998 V1011 I1033 T1037 L1041 F1067V990-I994 HydrophobicContact CG1-CD1 4.17Å; V990-I994 WeakPolarHBondContact O-CG1 3.32Å; V990-I994 PolarHBondContact O-N 3.05Å; V990-I994 VanDerWaalsContact O-N 3.07Å; I991-I994 PolarHBondContact O-N 3.23Å; I994-L997 WeakPolarHBondContact O-CB 3.45Å; I994-L997 PolarHBondContact O-N 3.19Å; I994-R998 PolarHBondContact O-N 3.43Å; I994-V1011 HydrophobicContact CD1-CG1 4.35Å; I994-V1011 HydrophobicContact CG1-CG1 4.23Å; I994-V1011 HydrophobicContact CG2-CG1 4.37Å; I994-V1011 HydrophobicContact CG2-CG2 4.06Å; I994-I1033 HydrophobicContact CD1-CG2 4.24Å; I994-T1037 HydrophobicContact CB-CG2 4.29Å; I994-T1037 HydrophobicContact CD1-CG2 3.97Å; I994-T1037 HydrophobicContact CG2-CG2 3.98Å; I994-L1041 HydrophobicContact CD1-CD1 3.94Å; I994-F1067 HydrophobicContact CD1-CE1 3.92Å; I994-F1067 HydrophobicContact CD1-CZ 4.21Å; I994-F1067 HydrophobicContact CG1-CD1 4.11Å; I994-F1067 HydrophobicContact CG1-CE1 3.65Å; I994-F1067 HydrophobicContact CG1-CE2 4.32Å; I994-F1067 HydrophobicContact CG1-CZ 3.74Å
995Q84.5Confident82.7Confident63 Ų6351.9 Ų51.929%0.29425%0.25SC..Hα-helixtrans-68.1-38-179.9-66.4-65.9-8.100112.9I991 N992 R993 L997 R998 K999I991-Q995 HydrophobicContact CG2-CG 4.3Å; I991-Q995 WeakPolarHBondContact O-CG 3.03Å; I991-Q995 PolarHBondContact O-N 2.94Å; N992-Q995 PolarHBondContact O-N 3.39Å; R993-Q995 VanDerWaalsContact C-N 3.34Å; R993-Q995 PolarHBondContact O-N 3.02Å; Q995-L997 VanDerWaalsContact C-N 3.29Å; Q995-L997 PolarHBondContact O-N 3.31Å; Q995-R998 PolarHBondContact O-N 3.36Å; Q995-K999 PolarHBondContact O-N 3.43Å
996K85.9Confident82Confident115 Ų11556.8 Ų56.850%0.528%0.284SS..Hα-helixtrans-61.1-40.9171.9-79.3-177.3177.4-171.50111.5N992 R993 K999 K1000N992-K996 WeakPolarHBondContact O-CB 3.33Å; N992-K996 WeakPolarHBondContact O-CG 3.39Å; N992-K996 PolarHBondContact O-N 3.32Å; R993-K996 PolarHBondContact O-N 3.45Å; K996-K999 PolarHBondContact O-N 3Å; K996-K1000 WeakPolarHBondContact O-CB 3.42Å; K996-K1000 PolarHBondContact O-N 2.97Å
997L87.6Confident81.5Confident1 Ų159.6 Ų59.61%0.00530%0.299CS..Hα-helixtrans-65.7-42.5178.3-168.860.4000111.6R993 I994 Q995 K999 K1000 A1001 I1054 E1056 F1067 I1069R993-L997 WeakPolarHBondContact O-CB 3.49Å; R993-L997 PolarHBondContact O-N 3.44Å; I994-L997 WeakPolarHBondContact O-CB 3.45Å; I994-L997 PolarHBondContact O-N 3.19Å; Q995-L997 VanDerWaalsContact C-N 3.29Å; Q995-L997 PolarHBondContact O-N 3.31Å; L997-K999 PolarHBondContact O-N 3.43Å; L997-K1000 PolarHBondContact O-N 3.48Å; L997-A1001 WeakPolarHBondContact O-CB 3.29Å; L997-A1001 PolarHBondContact O-N 2.83Å; L997-I1054 HydrophobicContact CD1-CB 4.36Å; L997-I1054 HydrophobicContact CD1-CD1 3.76Å; L997-I1054 HydrophobicContact CD1-CG1 3.77Å; L997-I1054 HydrophobicContact CD1-CG2 3.72Å; L997-I1054 HydrophobicContact CD2-CG2 4.22Å; L997-I1054 HydrophobicContact CG-CG2 3.62Å; L997-E1056 HydrophobicContact CD1-CB 3.53Å; L997-E1056 HydrophobicContact CD1-CG 4.4Å; L997-E1056 HydrophobicContact CD2-CB 4.3Å; L997-F1067 HydrophobicContact CD2-CB 3.63Å; L997-I1069 HydrophobicContact CB-CD1 4.05Å; L997-I1069 HydrophobicContact CD2-CD1 3.88Å; L997-I1069 HydrophobicContact CD2-CG1 3.82Å; L997-I1069 HydrophobicContact CG-CD1 3.74Å; L997-I1069 HydrophobicContact CG-CG1 4.19Å
998R87.6Confident81.2Confident6 Ų664.5 Ų64.52%0.02333%0.325CS..Hα-helixtrans-56.4-47.1170.9-72.6-17991.8168.510112I994 Q995 K1000 A1001 H1002 L1003 V1004 P1005 D1007 I1009 T1037 I1069I994-R998 PolarHBondContact O-N 3.43Å; Q995-R998 PolarHBondContact O-N 3.36Å; R998-K1000 PolarHBondContact O-N 3.41Å; R998-A1001 CarbonylContact O-C 3.55Å; R998-A1001 PolarHBondContact O-N 3.33Å; R998-A1001 VanDerWaalsContact O-N 3.16Å; R998-H1002 PolarHBondContact O-N 2.78Å; R998-L1003 HydrophobicContact CB-CB 4.28Å; R998-L1003 PolarHBondContact O-N 3.36Å; R998-V1004 PolarHBondContact NH2-O 2.95Å; R998-P1005 PolarHBondContact NH2-O 3.35Å; R998-D1007 PolarHBondContact NH2-O 3.13Å; R998-D1007 VanDerWaalsContact NH2-O 3.11Å; R998-I1009 HydrophobicContact CG-CD1 3.78Å; R998-I1009 VanDerWaalsContact NE-CD1 3.29Å; R998-T1037 PolarHBondContact NH1-O 3.25Å; R998-I1069 HydrophobicContact CG-CD1 3.85Å
999K82.8Confident81.3Confident143 Ų14361.7 Ų61.762%0.62232%0.315SS*.Hα-helixtrans-62.7-41.6179.1-167.6177.3-177.2178.10112E7 Q995 K996 L997 A1001 H1002E7-K999 IonicContact OE1-NZ 3.16Å; Q995-K999 PolarHBondContact O-N 3.43Å; K996-K999 PolarHBondContact O-N 3Å; L997-K999 PolarHBondContact O-N 3.43Å; K999-A1001 PolarHBondContact O-N 3.39Å; K999-H1002 PolarHBondContact O-N 2.88Å
1000K85.8Confident81.4Confident125 Ų12561.6 Ų61.654%0.54332%0.315SS..Hα-helixtrans-64.2-30.1176.3-172.2175172.5179.60112.3K996 L997 R998 H1002 I1054 E1056K996-K1000 WeakPolarHBondContact O-CB 3.42Å; K996-K1000 PolarHBondContact O-N 2.97Å; L997-K1000 PolarHBondContact O-N 3.48Å; R998-K1000 PolarHBondContact O-N 3.41Å; K1000-H1002 VanDerWaalsContact C-N 3.3Å; K1000-I1054 HydrophobicContact CB-CD1 4.12Å; K1000-I1054 HydrophobicContact CD-CD1 4.03Å; K1000-I1054 HydrophobicContact CG-CD1 3.81Å; K1000-E1056 IonicContact NZ-OE1 3.95Å; K1000-E1056 PolarHBondContact NZ-OE1 2.92Å
1001A83.8Confident81.5Confident22 Ų2261.7 Ų61.718%0.18232%0.316CS..THydrogen-bonded Turntrans-855.117300000114.5L997 R998 K999 L1003 I1053 I1054L997-A1001 WeakPolarHBondContact O-CB 3.29Å; L997-A1001 PolarHBondContact O-N 2.83Å; R998-A1001 CarbonylContact O-C 3.55Å; R998-A1001 PolarHBondContact O-N 3.33Å; R998-A1001 VanDerWaalsContact O-N 3.16Å; K999-A1001 PolarHBondContact O-N 3.39Å; A1001-L1003 HydrophobicContact CB-CD1 3.86Å; A1001-L1003 HydrophobicContact CB-CG 3.92Å; A1001-L1003 PolarHBondContact O-N 3.24Å; A1001-I1053 HydrophobicContact CB-CG2 3.84Å; A1001-I1054 HydrophobicContact CB-CB 4.13Å; A1001-I1054 HydrophobicContact CB-CD1 4.23Å; A1001-I1054 HydrophobicContact CB-CG2 3.73Å
1002H80.9Confident81.6Confident168 Ų16862.2 Ų62.278%0.77832%0.317SS*.THydrogen-bonded Turntrans57.629.8-176.2-55.9-72.4000114.4R998 K999 K1000R998-H1002 PolarHBondContact O-N 2.78Å; K999-H1002 PolarHBondContact O-N 2.88Å; K1000-H1002 VanDerWaalsContact C-N 3.3Å
1003L77.9Confident81.9Confident33 Ų3361 Ų6117%0.17331%0.309CS..  trans-90.1141.9177.8-62.3168.7000111.3R998 A1001 D1007 I1009 I1053 I1069R998-L1003 HydrophobicContact CB-CB 4.28Å; R998-L1003 PolarHBondContact O-N 3.36Å; A1001-L1003 HydrophobicContact CB-CD1 3.86Å; A1001-L1003 HydrophobicContact CB-CG 3.92Å; A1001-L1003 PolarHBondContact O-N 3.24Å; L1003-D1007 VanDerWaalsContact CA-OD2 3.25Å; L1003-D1007 WeakPolarHBondContact CA-OD2 3.34Å; L1003-D1007 HydrophobicContact CD2-CB 4.18Å; L1003-D1007 WeakPolarHBondContact CD2-OD2 3.28Å; L1003-I1009 HydrophobicContact CD1-CG2 3.99Å; L1003-I1053 HydrophobicContact CD1-CD1 4.17Å; L1003-I1053 HydrophobicContact CD1-CG2 4.24Å; L1003-I1053 HydrophobicContact CD2-CD1 4.24Å; L1003-I1069 HydrophobicContact CD1-CG2 4.07Å
1004V71.2Confident81.8Confident75 Ų7561.1 Ų61.146%0.45531%0.309SS..  trans-96.6157.5172-67.90000111.1R998 S1006 D1007R998-V1004 PolarHBondContact NH2-O 2.95Å; V1004-S1006 VanDerWaalsContact CG2-OG 3.27Å; V1004-S1006 WeakPolarHBondContact CG2-OG 3.13Å; V1004-S1006 PolarHBondContact O-N 3.15Å; V1004-D1007 VanDerWaalsContact CG2-CG 3.46Å; V1004-D1007 VanDerWaalsContact CG2-OD1 3.29Å; V1004-D1007 WeakPolarHBondContact CG2-OD1 3.33Å; V1004-D1007 WeakPolarHBondContact CG2-OD2 3.5Å; V1004-D1007 PolarHBondContact N-OD2 3.22Å; V1004-D1007 WeakPolarHBondContact O-CB 3.45Å; V1004-D1007 PolarHBondContact O-N 3.09Å
1005P65.3Low81.7Confident93 Ų9361.7 Ų61.760%0.60431%0.313SS*.THydrogen-bonded Turntrans-57.5-25-177.1-28.136.5000115.4R998 D1007R998-P1005 PolarHBondContact NH2-O 3.35Å; P1005-D1007 VanDerWaalsContact C-N 3.32Å
1006S64.4Low81.4Confident103 Ų10363.4 Ų63.472%0.7232%0.321SS*.THydrogen-bonded Turntrans-78.7-10.7176.553.20000114.1V1004 D1008V1004-S1006 VanDerWaalsContact CG2-OG 3.27Å; V1004-S1006 WeakPolarHBondContact CG2-OG 3.13Å; V1004-S1006 PolarHBondContact O-N 3.15Å; S1006-D1008 PolarHBondContact O-N 3.32Å
1007D72.6Confident80.2Confident58 Ų5861.3 Ų61.331%0.3132%0.319SS..SBendtrans-72.5127.3178.7-66.3-24.7000110.2R998 L1003 V1004 P1005 I1009R998-D1007 PolarHBondContact NH2-O 3.13Å; R998-D1007 VanDerWaalsContact NH2-O 3.11Å; L1003-D1007 VanDerWaalsContact CA-OD2 3.25Å; L1003-D1007 WeakPolarHBondContact CA-OD2 3.34Å; L1003-D1007 HydrophobicContact CD2-CB 4.18Å; L1003-D1007 WeakPolarHBondContact CD2-OD2 3.28Å; V1004-D1007 VanDerWaalsContact CG2-CG 3.46Å; V1004-D1007 VanDerWaalsContact CG2-OD1 3.29Å; V1004-D1007 WeakPolarHBondContact CG2-OD1 3.33Å; V1004-D1007 WeakPolarHBondContact CG2-OD2 3.5Å; V1004-D1007 PolarHBondContact N-OD2 3.22Å; V1004-D1007 WeakPolarHBondContact O-CB 3.45Å; V1004-D1007 PolarHBondContact O-N 3.09Å; P1005-D1007 VanDerWaalsContact C-N 3.32Å; D1007-I1009 PolarHBondContact O-N 2.97Å
1008D77.1Confident78.8Confident103 Ų10368.9 Ų68.955%0.55136%0.355SS*.  trans-72.4115.9178-170.48.1000110.4S1006 G1072S1006-D1008 PolarHBondContact O-N 3.32Å; D1008-G1072 VanDerWaalsContact O-CA 3.26Å; D1008-G1072 WeakPolarHBondContact O-CA 3.46Å; D1008-G1072 PolarHBondContact O-N 3.5Å
1009I84.5Confident77.3Confident4 Ų472.5 Ų72.52%0.02139%0.394CS..EExtended strand (participates in β ladder)trans-143.6154.5-174.762.1164.8000111.7R998 L1003 D1007 V1011 A1039 I1053 I1069R998-I1009 HydrophobicContact CG-CD1 3.78Å; R998-I1009 VanDerWaalsContact NE-CD1 3.29Å; L1003-I1009 HydrophobicContact CD1-CG2 3.99Å; D1007-I1009 PolarHBondContact O-N 2.97Å; I1009-V1011 HydrophobicContact CD1-CG2 4.17Å; I1009-A1039 HydrophobicContact CD1-CB 4.18Å; I1009-A1039 HydrophobicContact CG1-CB 3.83Å; I1009-I1053 HydrophobicContact CG2-CD1 4.17Å; I1009-I1069 HydrophobicContact CB-CG2 3.93Å; I1009-I1069 HydrophobicContact CD1-CD1 4.43Å; I1009-I1069 HydrophobicContact CD1-CG2 3.86Å; I1009-I1069 HydrophobicContact CG1-CG2 4.48Å; I1009-I1069 HydrophobicContact CG2-CG2 4.04Å
1010L85.4Confident76.7Confident37 Ų3770.6 Ų70.619%0.19439%0.387CS..EExtended strand (participates in β ladder)trans-115.3140.4166.4-62.9169.7000109.2Y1012 P1040 L1042 I1069 V1070L1010-Y1012 HydrophobicContact CB-CE2 4.22Å; L1010-P1040 HydrophobicContact CD2-CB 3.91Å; L1010-P1040 HydrophobicContact CD2-CG 3.75Å; L1010-L1042 HydrophobicContact CD2-CD1 4.43Å; L1010-I1069 WeakPolarHBondContact O-CA 3.5Å; L1010-V1070 HydrophobicContact CB-CG2 3.7Å; L1010-V1070 HydrophobicContact CD1-CG2 4.44Å; L1010-V1070 PolarHBondContact N-O 2.98Å; L1010-V1070 PolarHBondContact O-N 3.01Å
1011V88.3Confident76.4Confident2 Ų268.5 Ų68.51%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-114.9120.6-179.6-172.50000108.8I994 I1009 A1039 P1040 L1041 L1042 F1067 I1069I994-V1011 HydrophobicContact CD1-CG1 4.35Å; I994-V1011 HydrophobicContact CG1-CG1 4.23Å; I994-V1011 HydrophobicContact CG2-CG1 4.37Å; I994-V1011 HydrophobicContact CG2-CG2 4.06Å; I1009-V1011 HydrophobicContact CD1-CG2 4.17Å; V1011-A1039 HydrophobicContact CG2-CB 4.07Å; V1011-P1040 PolarHBondContact N-O 3.45Å; V1011-L1041 HydrophobicContact CB-CD1 3.97Å; V1011-L1041 HydrophobicContact CG1-CD1 3.66Å; V1011-L1041 CarbonylContact O-C 3.39Å; V1011-L1041 WeakPolarHBondContact O-CA 3.33Å; V1011-L1042 PolarHBondContact O-N 3.24Å; V1011-F1067 HydrophobicContact CG1-CD1 3.96Å; V1011-I1069 HydrophobicContact CG2-CG1 4.35Å
1012Y89.2Confident76.3Confident24 Ų2467.5 Ų67.59%0.09437%0.368CS..EExtended strand (participates in β ladder)trans-99144.1173.1-70.1-94.3000110.8L1010 L1042 V1046 P1047 F1067 T1068 V1070L1010-Y1012 HydrophobicContact CB-CE2 4.22Å; Y1012-L1042 CarbonylContact C-O 3.59Å; Y1012-L1042 WeakPolarHBondContact CA-O 3.44Å; Y1012-L1042 HydrophobicContact CD1-CB 3.79Å; Y1012-L1042 HydrophobicContact CE1-CB 3.77Å; Y1012-L1042 HydrophobicContact CE1-CD1 3.93Å; Y1012-L1042 HydrophobicContact CE2-CD1 4.43Å; Y1012-L1042 HydrophobicContact CG-CB 4.44Å; Y1012-V1046 HydrophobicContact CD1-CG2 4.3Å; Y1012-V1046 HydrophobicContact CD2-CG1 4.22Å; Y1012-V1046 HydrophobicContact CD2-CG2 4.11Å; Y1012-V1046 HydrophobicContact CE2-CG1 4.36Å; Y1012-V1046 HydrophobicContact CG-CB 4.48Å; Y1012-V1046 HydrophobicContact CG-CG2 3.78Å; Y1012-P1047 WeakPolarHBondContact OH-CD 3.38Å; Y1012-F1067 CarbonylContact O-C 3.59Å; Y1012-F1067 VanDerWaalsContact O-CA 3.28Å; Y1012-F1067 WeakPolarHBondContact O-CA 3.37Å; Y1012-T1068 PolarHBondContact N-O 2.73Å; Y1012-T1068 PolarHBondContact O-N 3.41Å; Y1012-V1070 HydrophobicContact CD2-CG1 4.29Å; Y1012-V1070 HydrophobicContact CD2-CG2 4.25Å; Y1012-V1070 HydrophobicContact CE2-CG1 4.36Å; Y1012-V1070 HydrophobicContact CE2-CG2 3.79Å
1013Y89.9Confident76.2Confident28 Ų2860.1 Ų60.111%0.1134%0.337CS..EExtended strand (participates in β ladder)trans-135144.7178.281.9-76.2000114.1I1026 L1041 L1042 P1043 F1044 L1065 E1066Y1013-I1026 HydrophobicContact CD2-CD1 3.86Å; Y1013-I1026 HydrophobicContact CD2-CG2 4.42Å; Y1013-I1026 HydrophobicContact CE1-CG2 4.21Å; Y1013-I1026 HydrophobicContact CE2-CB 4.37Å; Y1013-I1026 HydrophobicContact CE2-CD1 3.88Å; Y1013-I1026 HydrophobicContact CE2-CG2 3.82Å; Y1013-L1041 HydrophobicContact CD1-CD1 3.88Å; Y1013-L1041 HydrophobicContact CD1-CD2 4.06Å; Y1013-L1041 HydrophobicContact CD1-CG 3.58Å; Y1013-L1041 HydrophobicContact CE1-CD2 4.35Å; Y1013-L1041 HydrophobicContact CE1-CG 4.05Å; Y1013-L1041 HydrophobicContact CG-CD1 4.26Å; Y1013-L1041 HydrophobicContact CG-CD2 4.47Å; Y1013-L1041 HydrophobicContact CG-CG 4.29Å; Y1013-L1042 WeakPolarHBondContact CD1-O 3.41Å; Y1013-L1042 PolarHBondContact N-O 3.43Å; Y1013-P1043 HydrophobicContact CE1-CB 4.23Å; Y1013-P1043 WeakPolarHBondContact O-CA 3.34Å; Y1013-F1044 WeakPolarHBondContact O-CD2 3.41Å; Y1013-F1044 PolarHBondContact O-N 2.79Å; Y1013-F1044 VanDerWaalsContact O-N 3.1Å; Y1013-L1065 HydrophobicContact CD2-CD1 4.36Å; Y1013-E1066 CarbonylContact C-O 3.54Å; Y1013-E1066 WeakPolarHBondContact CA-O 3.06Å
1014R86.8Confident76.3Confident79 Ų7961.6 Ų61.630%0.29835%0.35SS..EExtended strand (participates in β ladder)trans-132.9132.6171.2178-174.2-70.8147.2-10.4109.5F1044 L1065 E1066R1014-F1044 HydrophobicContact CB-CB 4.2Å; R1014-F1044 HydrophobicContact CB-CD2 3.54Å; R1014-F1044 HydrophobicContact CB-CE2 3.88Å; R1014-F1044 HydrophobicContact CB-CG 3.92Å; R1014-L1065 WeakPolarHBondContact O-CA 3.27Å; R1014-E1066 HydrophobicContact CB-CB 4.27Å; R1014-E1066 IonicContact CZ-OE2 3.61Å; R1014-E1066 PolarHBondContact N-O 2.98Å; R1014-E1066 IonicContact NE-OE2 3.9Å; R1014-E1066 IonicContact NH1-OE2 2.69Å; R1014-E1066 PolarHBondContact NH1-OE2 3.06Å; R1014-E1066 PolarHBondContact O-N 2.86Å
1015C84.8Confident77Confident14 Ų1458.2 Ų58.210%0.09533%0.33CS..EExtended strand (participates in β ladder)trans-109.9136174.2-57.90000109.9D1064 L1065C1015-D1064 CarbonylContact C-O 3.59Å; C1015-D1064 WeakPolarHBondContact CA-O 3.48Å; C1015-L1065 WeakPolarHBondContact SG-CD1 3.44Å
1016Q77.4Confident77.9Confident98 Ų9853.8 Ų53.846%0.45830%0.301SS..EExtended strand (participates in β ladder)trans-125.6131.1170.9-69.5-171.4-2600111D1064Q1016-D1064 HydrophobicContact CB-CB 4.23Å; Q1016-D1064 PolarHBondContact N-O 3.38Å; Q1016-D1064 PolarHBondContact O-N 3.12Å
1017P61.3Low78.7Confident71 Ų7155.3 Ų55.346%0.46130%0.297SS..SBendcis-66.7148.4-3.8-13.828.6000113.6E1020P1017-E1020 HydrophobicContact CB-CG 4.29Å; P1017-E1020 WeakPolarHBondContact CD-OE2 3.48Å; P1017-E1020 HydrophobicContact CG-CG 4.43Å
1018E58.7Low79.3Confident161 Ų16156.3 Ų56.375%0.75231%0.313SS*.THydrogen-bonded Turntrans-69132.6176.8-74.2178.6172.500110.6
1019G56.1Low79.7Confident81 Ų8153.6 Ų53.684%0.83530%0.297SS*.THydrogen-bonded Turntrans90.84.9176.200000116.7
1020E68.9Low79.5Confident103 Ų10356 Ų5648%0.48131%0.312SS..SBendtrans-85.8174.6174.4-76.1-167.5167.100113.6P1017 L1022 G1023 S1024P1017-E1020 HydrophobicContact CB-CG 4.29Å; P1017-E1020 WeakPolarHBondContact CD-OE2 3.48Å; P1017-E1020 HydrophobicContact CG-CG 4.43Å; E1020-L1022 PolarHBondContact O-N 2.97Å; E1020-G1023 PolarHBondContact O-N 2.75Å; E1020-S1024 PolarHBondContact O-N 3.08Å
1021Y80.4Confident79.2Confident82 Ų8260.5 Ų60.532%0.32234%0.336SS..Hα-helixtrans-36.9-40.9-178175-110.2000115.9Q979 V982 D983 V986 S1024 V1025Q979-Y1021 PolarHBondContact NE2-OH 3.49Å; V982-Y1021 WeakPolarHBondContact CG1-OH 3.43Å; D983-Y1021 WeakPolarHBondContact OD1-CE2 3.21Å; D983-Y1021 PolarHBondContact OD1-OH 2.86Å; V986-Y1021 HydrophobicContact CG2-CE1 4.22Å; Y1021-S1024 PolarHBondContact O-OG 3.03Å; Y1021-V1025 HydrophobicContact CD2-CG2 4.3Å; Y1021-V1025 HydrophobicContact CE1-CG2 4.42Å; Y1021-V1025 HydrophobicContact CE2-CG2 3.91Å; Y1021-V1025 VanDerWaalsContact O-CG2 3.24Å; Y1021-V1025 WeakPolarHBondContact O-CG2 3.42Å; Y1021-V1025 PolarHBondContact O-N 3.15Å
1022L81.1Confident78.7Confident1 Ų163.7 Ų63.71%0.00535%0.35CS..Hα-helixtrans-69.5-36.6-179.9-177.561.3000113V986 V990 E1020 V1025 I1026 L1060 L1065V986-L1022 HydrophobicContact CG1-CD1 3.52Å; V990-L1022 HydrophobicContact CG2-CD1 4.22Å; E1020-L1022 PolarHBondContact O-N 2.97Å; L1022-V1025 PolarHBondContact O-N 2.75Å; L1022-I1026 HydrophobicContact CD1-CD1 4.35Å; L1022-I1026 HydrophobicContact CG-CD1 4.17Å; L1022-I1026 WeakPolarHBondContact O-CG1 3.35Å; L1022-I1026 PolarHBondContact O-N 2.83Å; L1022-I1026 VanDerWaalsContact O-N 3.09Å; L1022-L1060 HydrophobicContact CD1-CD2 3.89Å; L1022-L1060 HydrophobicContact CD2-CB 4.31Å; L1022-L1065 HydrophobicContact CD2-CB 4.18Å; L1022-L1065 HydrophobicContact CD2-CD1 4.29Å; L1022-L1065 HydrophobicContact CD2-CD2 4.37Å
1023G79.3Confident78.3Confident13 Ų1362.5 Ų62.513%0.13435%0.345CS..Hα-helixtrans-65.3-44.9177.800000111.7E1020 V1025 I1026 E1027E1020-G1023 PolarHBondContact O-N 2.75Å; G1023-V1025 VanDerWaalsContact C-N 3.34Å; G1023-V1025 PolarHBondContact O-N 3.26Å; G1023-I1026 PolarHBondContact O-N 3.3Å; G1023-E1027 PolarHBondContact O-N 3.33Å
1024S80.5Confident77.8Confident64 Ų6464.6 Ų64.645%0.44836%0.358SS..Hα-helixtrans-65.6-35.7177.860.30000112.7E1020 Y1021 A1028E1020-S1024 PolarHBondContact O-N 3.08Å; Y1021-S1024 PolarHBondContact O-OG 3.03Å; S1024-A1028 VanDerWaalsContact O-CB 3.24Å; S1024-A1028 WeakPolarHBondContact O-CB 3.49Å; S1024-A1028 PolarHBondContact O-N 2.91Å
1025V84.5Confident77.2Confident3 Ų364.4 Ų64.42%0.01837%0.373CS..Hα-helixtrans-66.1-42.4174.5170.40000111.6D983 V986 A987 Y1021 L1022 G1023 H1029D983-V1025 HydrophobicContact CB-CG2 4Å; D983-V1025 VanDerWaalsContact O-CG1 3.22Å; D983-V1025 WeakPolarHBondContact O-CG1 3.43Å; V986-V1025 HydrophobicContact CB-CG1 4.02Å; V986-V1025 HydrophobicContact CG1-CB 4.48Å; V986-V1025 HydrophobicContact CG1-CG1 3.9Å; A987-V1025 HydrophobicContact CB-CG1 4.16Å; Y1021-V1025 HydrophobicContact CD2-CG2 4.3Å; Y1021-V1025 HydrophobicContact CE1-CG2 4.42Å; Y1021-V1025 HydrophobicContact CE2-CG2 3.91Å; Y1021-V1025 VanDerWaalsContact O-CG2 3.24Å; Y1021-V1025 WeakPolarHBondContact O-CG2 3.42Å; Y1021-V1025 PolarHBondContact O-N 3.15Å; L1022-V1025 PolarHBondContact O-N 2.75Å; G1023-V1025 VanDerWaalsContact C-N 3.34Å; G1023-V1025 PolarHBondContact O-N 3.26Å; V1025-H1029 WeakPolarHBondContact O-CB 3.27Å; V1025-H1029 PolarHBondContact O-CD2 3.46Å; V1025-H1029 VanDerWaalsContact O-CD2 3.32Å; V1025-H1029 PolarHBondContact O-N 2.76Å; V1025-H1029 VanDerWaalsContact O-N 3.12Å
1026I83.9Confident76.9Confident1 Ų166.9 Ų66.91%0.00539%0.388CS..Hα-helixtrans-63.8-45.4177.9-69.5168.8000110.2V990 Y1013 L1022 G1023 H1029 T1030 I1033 L1041 L1065V990-I1026 HydrophobicContact CG1-CD1 4.45Å; V990-I1026 HydrophobicContact CG1-CG1 4.35Å; V990-I1026 HydrophobicContact CG2-CD1 4.22Å; V990-I1026 HydrophobicContact CG2-CG1 4.05Å; Y1013-I1026 HydrophobicContact CD2-CD1 3.86Å; Y1013-I1026 HydrophobicContact CD2-CG2 4.42Å; Y1013-I1026 HydrophobicContact CE1-CG2 4.21Å; Y1013-I1026 HydrophobicContact CE2-CB 4.37Å; Y1013-I1026 HydrophobicContact CE2-CD1 3.88Å; Y1013-I1026 HydrophobicContact CE2-CG2 3.82Å; L1022-I1026 HydrophobicContact CD1-CD1 4.35Å; L1022-I1026 HydrophobicContact CG-CD1 4.17Å; L1022-I1026 WeakPolarHBondContact O-CG1 3.35Å; L1022-I1026 PolarHBondContact O-N 2.83Å; L1022-I1026 VanDerWaalsContact O-N 3.09Å; G1023-I1026 PolarHBondContact O-N 3.3Å; I1026-H1029 CarbonylContact O-C 3.56Å; I1026-H1029 PolarHBondContact O-N 2.76Å; I1026-T1030 PolarHBondContact O-N 2.79Å; I1026-T1030 PolarHBondContact O-OG1 2.98Å; I1026-I1033 HydrophobicContact CG2-CD1 4.28Å; I1026-L1041 HydrophobicContact CG2-CD2 3.71Å; I1026-L1065 HydrophobicContact CD1-CD1 4.09Å
1027E82.6Confident76.9Confident135 Ų13562.3 Ų62.363%0.63137%0.367SS*.Hα-helixtrans-60.3-52.7176.9-74.4176.7-176.500111.7G1023 H1029 T1030G1023-E1027 PolarHBondContact O-N 3.33Å; E1027-H1029 PolarHBondContact O-N 2.94Å; E1027-H1029 VanDerWaalsContact O-N 3.16Å; E1027-T1030 PolarHBondContact O-N 3.25Å; E1027-T1030 PolarHBondContact O-OG1 2.97Å
1028A83.9Confident77.6Confident78 Ų7866.6 Ų66.665%0.64538%0.378SS*.Hα-helixtrans-62.2-23.6-178.200000114.2S1024S1024-A1028 VanDerWaalsContact O-CB 3.24Å; S1024-A1028 WeakPolarHBondContact O-CB 3.49Å; S1024-A1028 PolarHBondContact O-N 2.91Å
1029H86Confident78.6Confident46 Ų4659 Ų5921%0.21334%0.343CS..THydrogen-bonded Turntrans-11621.5-179.3-65.5-74.7000113.6A987 V1025 I1026 E1027 D1031 F1032 I1033A987-H1029 HydrophobicContact CB-CB 3.67Å; V1025-H1029 WeakPolarHBondContact O-CB 3.27Å; V1025-H1029 PolarHBondContact O-CD2 3.46Å; V1025-H1029 VanDerWaalsContact O-CD2 3.32Å; V1025-H1029 PolarHBondContact O-N 2.76Å; V1025-H1029 VanDerWaalsContact O-N 3.12Å; I1026-H1029 CarbonylContact O-C 3.56Å; I1026-H1029 PolarHBondContact O-N 2.76Å; E1027-H1029 PolarHBondContact O-N 2.94Å; E1027-H1029 VanDerWaalsContact O-N 3.16Å; H1029-D1031 VanDerWaalsContact C-N 3.34Å; H1029-D1031 PolarHBondContact O-N 3.26Å; H1029-F1032 HydrophobicContact CB-CB 4.39Å; H1029-F1032 WeakPolarHBondContact O-CB 3.11Å; H1029-F1032 PolarHBondContact O-N 3.19Å; H1029-F1032 VanDerWaalsContact O-N 3.14Å; H1029-I1033 WeakPolarHBondContact O-CG1 3.37Å; H1029-I1033 PolarHBondContact O-N 2.68Å
1030T80.9Confident79.7Confident54 Ų5457.8 Ų57.833%0.33132%0.32SS..Hα-helixtrans-55.3-46.9-177.1-63.80000112.2I1026 E1027 F1032 I1033 L1034I1026-T1030 PolarHBondContact O-N 2.79Å; I1026-T1030 PolarHBondContact O-OG1 2.98Å; E1027-T1030 PolarHBondContact O-N 3.25Å; E1027-T1030 PolarHBondContact O-OG1 2.97Å; T1030-F1032 VanDerWaalsContact C-N 3.33Å; T1030-F1032 PolarHBondContact O-N 2.66Å; T1030-I1033 PolarHBondContact O-N 2.93Å; T1030-L1034 WeakPolarHBondContact O-CB 3.49Å; T1030-L1034 PolarHBondContact O-N 3.11Å
1031D78.2Confident80.4Confident133 Ų13353.9 Ų53.971%0.71130%0.303SS*.Hα-helixtrans-64.2-38.6-179.9-66.5-32.9000112.3H1029 L1034 A1035H1029-D1031 VanDerWaalsContact C-N 3.34Å; H1029-D1031 PolarHBondContact O-N 3.26Å; D1031-L1034 PolarHBondContact O-N 2.79Å; D1031-A1035 VanDerWaalsContact O-CB 3.28Å; D1031-A1035 WeakPolarHBondContact O-CB 3.24Å; D1031-A1035 PolarHBondContact O-N 2.98Å
1032F77.6Confident80.5Confident68 Ų6852.8 Ų52.830%0.29830%0.302SS..Hα-helixtrans-65.7-41.7176.4173.1-111.1000111.7A987 R988 I991 H1029 T1030 T1036A987-F1032 HydrophobicContact CB-CD1 4.31Å; R988-F1032 HydrophobicContact CG-CE1 3.65Å; R988-F1032 HydrophobicContact CG-CZ 3.81Å; I991-F1032 HydrophobicContact CD1-CD1 3.9Å; I991-F1032 HydrophobicContact CD1-CE1 3.5Å; I991-F1032 HydrophobicContact CD1-CZ 4.07Å; H1029-F1032 HydrophobicContact CB-CB 4.39Å; H1029-F1032 WeakPolarHBondContact O-CB 3.11Å; H1029-F1032 PolarHBondContact O-N 3.19Å; H1029-F1032 VanDerWaalsContact O-N 3.14Å; T1030-F1032 VanDerWaalsContact C-N 3.33Å; T1030-F1032 PolarHBondContact O-N 2.66Å; F1032-T1036 PolarHBondContact O-N 2.96Å; F1032-T1036 PolarHBondContact O-OG1 2.94Å
1033I82.2Confident80.6Confident0 Ų056.6 Ų56.60%033%0.327CS..Hα-helixtrans-63.4-49.9175-64.5165000109.6V990 I991 I994 I1026 H1029 T1030 A1035 T1036 T1037 L1041V990-I1033 HydrophobicContact CG1-CD1 4.16Å; I991-I1033 HydrophobicContact CD1-CG1 4.27Å; I991-I1033 HydrophobicContact CG1-CB 4.23Å; I991-I1033 HydrophobicContact CG1-CG1 3.98Å; I991-I1033 HydrophobicContact CG1-CG2 4.07Å; I994-I1033 HydrophobicContact CD1-CG2 4.24Å; I1026-I1033 HydrophobicContact CG2-CD1 4.28Å; H1029-I1033 WeakPolarHBondContact O-CG1 3.37Å; H1029-I1033 PolarHBondContact O-N 2.68Å; T1030-I1033 PolarHBondContact O-N 2.93Å; I1033-A1035 PolarHBondContact O-N 3Å; I1033-T1036 PolarHBondContact O-N 2.78Å; I1033-T1036 VanDerWaalsContact O-N 3.13Å; I1033-T1037 HydrophobicContact CG2-CG2 3.95Å; I1033-T1037 WeakPolarHBondContact O-CG2 3.28Å; I1033-T1037 PolarHBondContact O-N 2.94Å; I1033-T1037 PolarHBondContact O-OG1 3.21Å; I1033-L1041 HydrophobicContact CD1-CD2 4.27Å; I1033-L1041 HydrophobicContact CG2-CD2 4.04Å
1034L78.7Confident80.8Confident71 Ų7157.9 Ų57.937%0.37233%0.329SS..Hα-helixtrans-58-48.5179.7176.561.7000112.4T1030 D1031 T1036 T1037 K1038T1030-L1034 WeakPolarHBondContact O-CB 3.49Å; T1030-L1034 PolarHBondContact O-N 3.11Å; D1031-L1034 PolarHBondContact O-N 2.79Å; L1034-T1036 PolarHBondContact O-N 2.85Å; L1034-T1037 PolarHBondContact O-N 3.41Å; L1034-K1038 WeakPolarHBondContact O-CA 3.25Å; L1034-K1038 PolarHBondContact O-N 3.31Å
1035A74.4Confident80.6Confident76 Ų7659.9 Ų59.963%0.62834%0.34SS*.Hα-helixtrans-58.4-32179.200000112.1D1031 I1033D1031-A1035 VanDerWaalsContact O-CB 3.28Å; D1031-A1035 WeakPolarHBondContact O-CB 3.24Å; D1031-A1035 PolarHBondContact O-N 2.98Å; I1033-A1035 PolarHBondContact O-N 3Å
1036T77.6Confident80.4Confident66 Ų6661.2 Ų61.241%0.40535%0.349SS..Hα-helixtrans-91-38.9-177-49.20000113.2I991 F1032 I1033 L1034I991-T1036 HydrophobicContact CD1-CG2 4.12Å; I991-T1036 HydrophobicContact CG2-CG2 3.64Å; F1032-T1036 PolarHBondContact O-N 2.96Å; F1032-T1036 PolarHBondContact O-OG1 2.94Å; I1033-T1036 PolarHBondContact O-N 2.78Å; I1033-T1036 VanDerWaalsContact O-N 3.13Å; L1034-T1036 PolarHBondContact O-N 2.85Å
1037T78.8Confident80.1Confident1 Ų163.8 Ų63.81%0.00637%0.365CS..Hα-helixtrans-78.8-23.3178.7590000112.2I991 I994 R998 I1033 L1034 A1039I991-T1037 HydrophobicContact CG1-CG2 4.41Å; I991-T1037 HydrophobicContact CG2-CG2 4.29Å; I994-T1037 HydrophobicContact CB-CG2 4.29Å; I994-T1037 HydrophobicContact CD1-CG2 3.97Å; I994-T1037 HydrophobicContact CG2-CG2 3.98Å; R998-T1037 PolarHBondContact NH1-O 3.25Å; I1033-T1037 HydrophobicContact CG2-CG2 3.95Å; I1033-T1037 WeakPolarHBondContact O-CG2 3.28Å; I1033-T1037 PolarHBondContact O-N 2.94Å; I1033-T1037 PolarHBondContact O-OG1 3.21Å; L1034-T1037 PolarHBondContact O-N 3.41Å; T1037-A1039 PolarHBondContact O-N 3.5Å; T1037-A1039 PolarHBondContact OG1-N 3.13Å; T1037-A1039 PolarHBondContact OG1-O 3.03Å
1038K75.9Confident79.6Confident161 Ų16167.8 Ų67.870%0.738%0.38SS*.SBendtrans52.426.1-168.4-57.2-171177.7-171.90112.5L1034L1034-K1038 WeakPolarHBondContact O-CA 3.25Å; L1034-K1038 PolarHBondContact O-N 3.31Å
1039A79.2Confident78.7Confident1 Ų170.7 Ų70.71%0.00839%0.39CS..SBendtrans-140.6128.9-177.700000109.1I1009 V1011 T1037 L1041I1009-A1039 HydrophobicContact CD1-CB 4.18Å; I1009-A1039 HydrophobicContact CG1-CB 3.83Å; V1011-A1039 HydrophobicContact CG2-CB 4.07Å; T1037-A1039 PolarHBondContact O-N 3.5Å; T1037-A1039 PolarHBondContact OG1-N 3.13Å; T1037-A1039 PolarHBondContact OG1-O 3.03Å; A1039-L1041 PolarHBondContact O-N 3.19Å
1040P78.4Confident78.1Confident56 Ų5670 Ų7036%0.36439%0.392SS..  trans-56133175.3-24.333.5000111.9L1010 V1011L1010-P1040 HydrophobicContact CD2-CB 3.91Å; L1010-P1040 HydrophobicContact CD2-CG 3.75Å; V1011-P1040 PolarHBondContact N-O 3.45Å
1041L83.6Confident78.1Confident21 Ų2171.1 Ų71.111%0.1140%0.403CS..EExtended strand (participates in β ladder)trans-102.3117173.8-172.266.9000108.7I994 V1011 Y1013 I1026 I1033 A1039 F1067I994-L1041 HydrophobicContact CD1-CD1 3.94Å; V1011-L1041 HydrophobicContact CB-CD1 3.97Å; V1011-L1041 HydrophobicContact CG1-CD1 3.66Å; V1011-L1041 CarbonylContact O-C 3.39Å; V1011-L1041 WeakPolarHBondContact O-CA 3.33Å; Y1013-L1041 HydrophobicContact CD1-CD1 3.88Å; Y1013-L1041 HydrophobicContact CD1-CD2 4.06Å; Y1013-L1041 HydrophobicContact CD1-CG 3.58Å; Y1013-L1041 HydrophobicContact CE1-CD2 4.35Å; Y1013-L1041 HydrophobicContact CE1-CG 4.05Å; Y1013-L1041 HydrophobicContact CG-CD1 4.26Å; Y1013-L1041 HydrophobicContact CG-CD2 4.47Å; Y1013-L1041 HydrophobicContact CG-CG 4.29Å; I1026-L1041 HydrophobicContact CG2-CD2 3.71Å; I1033-L1041 HydrophobicContact CD1-CD2 4.27Å; I1033-L1041 HydrophobicContact CG2-CD2 4.04Å; A1039-L1041 PolarHBondContact O-N 3.19Å; L1041-F1067 HydrophobicContact CD1-CD1 4.47Å; L1041-F1067 HydrophobicContact CD1-CE1 4.13Å
1042L82.6Confident78.6Confident60 Ų6068.4 Ų68.431%0.31439%0.391SS..EExtended strand (participates in β ladder)trans-120.9141.5-172.4-61.8171.5000111L1010 V1011 Y1012 Y1013L1010-L1042 HydrophobicContact CD2-CD1 4.43Å; V1011-L1042 PolarHBondContact O-N 3.24Å; Y1012-L1042 CarbonylContact C-O 3.59Å; Y1012-L1042 WeakPolarHBondContact CA-O 3.44Å; Y1012-L1042 HydrophobicContact CD1-CB 3.79Å; Y1012-L1042 HydrophobicContact CE1-CB 3.77Å; Y1012-L1042 HydrophobicContact CE1-CD1 3.93Å; Y1012-L1042 HydrophobicContact CE2-CD1 4.43Å; Y1012-L1042 HydrophobicContact CG-CB 4.44Å; Y1013-L1042 WeakPolarHBondContact CD1-O 3.41Å; Y1013-L1042 PolarHBondContact N-O 3.43Å
1043P83.3Confident79.1Confident81 Ų8168.3 Ų68.353%0.52639%0.393SS..EExtended strand (participates in β ladder)trans-68.7152.9173.428.8-33.8000111.2Y1013Y1013-P1043 HydrophobicContact CE1-CB 4.23Å; Y1013-P1043 WeakPolarHBondContact O-CA 3.34Å
1044F83.1Confident79.5Confident39 Ų3969.7 Ų69.717%0.17140%0.4CS..SBendtrans-58.7158.3168.9-92.3-112.2000111.9Y1013 R1014 V1046 E1066 T1068Y1013-F1044 WeakPolarHBondContact O-CD2 3.41Å; Y1013-F1044 PolarHBondContact O-N 2.79Å; Y1013-F1044 VanDerWaalsContact O-N 3.1Å; R1014-F1044 HydrophobicContact CB-CB 4.2Å; R1014-F1044 HydrophobicContact CB-CD2 3.54Å; R1014-F1044 HydrophobicContact CB-CE2 3.88Å; R1014-F1044 HydrophobicContact CB-CG 3.92Å; F1044-V1046 HydrophobicContact CD1-CG2 4.05Å; F1044-V1046 HydrophobicContact CE1-CG2 3.77Å; F1044-V1046 HydrophobicContact CE2-CG2 4.43Å; F1044-V1046 HydrophobicContact CZ-CG2 4.02Å; F1044-E1066 HydrophobicContact CE2-CG 4.18Å; F1044-E1066 HydrophobicContact CZ-CG 3.81Å; F1044-T1068 WeakPolarHBondContact CZ-OG1 3.45Å
1045P77.4Confident80.1Confident106 Ų10671.4 Ų71.469%0.68841%0.406SS*.PPolyproline II helixcis-85.9147.78.633-34.6000114.6
1046V80.8Confident80.9Confident32 Ų3270.1 Ų70.119%0.19439%0.387CS..PPolyproline II helixtrans-65.1129.5168.3-172.60000109.1Y1012 F1044 K1048 A1050 T1068 V1070Y1012-V1046 HydrophobicContact CD1-CG2 4.3Å; Y1012-V1046 HydrophobicContact CD2-CG1 4.22Å; Y1012-V1046 HydrophobicContact CD2-CG2 4.11Å; Y1012-V1046 HydrophobicContact CE2-CG1 4.36Å; Y1012-V1046 HydrophobicContact CG-CB 4.48Å; Y1012-V1046 HydrophobicContact CG-CG2 3.78Å; F1044-V1046 HydrophobicContact CD1-CG2 4.05Å; F1044-V1046 HydrophobicContact CE1-CG2 3.77Å; F1044-V1046 HydrophobicContact CE2-CG2 4.43Å; F1044-V1046 HydrophobicContact CZ-CG2 4.02Å; V1046-K1048 PolarHBondContact O-N 3.46Å; V1046-A1050 HydrophobicContact CG1-CB 4.05Å; V1046-T1068 HydrophobicContact CG2-CG2 3.97Å; V1046-V1070 HydrophobicContact CG1-CG1 3.76Å
1047P76.4Confident81.4Confident55 Ų5572.3 Ų72.336%0.35739%0.391SS..PPolyproline II helixtrans-57.2136.5177.5-24.733.2000111.9Y1012 T1049 A1050Y1012-P1047 WeakPolarHBondContact OH-CD 3.38Å; P1047-T1049 PolarHBondContact O-N 2.89Å; P1047-A1050 HydrophobicContact CB-CB 4.32Å; P1047-A1050 WeakPolarHBondContact O-CB 3.35Å; P1047-A1050 PolarHBondContact O-N 3.12Å
1048K72.8Confident81.7Confident218 Ų21873 Ų7395%0.94840%0.395SS*.THydrogen-bonded Turntrans-59.7-18.9179.3-68.6-174.7178.8-179.90114V1046V1046-K1048 PolarHBondContact O-N 3.46Å
1049T65.8Low82.1Confident139 Ų13971.7 Ų71.785%0.85339%0.392SS*.THydrogen-bonded Turntrans-91.8-6.8179.4500000113.5P1047P1047-T1049 PolarHBondContact O-N 2.89Å
1050A72.1Confident82.2Confident31 Ų3171.9 Ų71.926%0.25639%0.392SS..SBendtrans-77.6138.4-176.800000111.9V1046 P1047 V1052 V1070V1046-A1050 HydrophobicContact CG1-CB 4.05Å; P1047-A1050 HydrophobicContact CB-CB 4.32Å; P1047-A1050 WeakPolarHBondContact O-CB 3.35Å; P1047-A1050 PolarHBondContact O-N 3.12Å; A1050-V1052 PolarHBondContact O-N 2.96Å; A1050-V1070 HydrophobicContact CB-CB 4.18Å; A1050-V1070 HydrophobicContact CB-CG1 3.93Å; A1050-V1070 HydrophobicContact CB-CG2 4.38Å
1051S81.6Confident82Confident79 Ų7975.1 Ų75.155%0.55240%0.401SS*.  trans-8399175.1-178.20000109.7I1053 V1070 K1071S1051-I1053 PolarHBondContact O-N 3.21Å; S1051-V1070 CarbonylContact O-C 3.49Å; S1051-V1070 VanDerWaalsContact O-CA 3.26Å; S1051-V1070 WeakPolarHBondContact O-CA 3.49Å; S1051-V1070 WeakPolarHBondContact O-CB 3.44Å; S1051-K1071 PolarHBondContact O-N 2.72Å
1052V87.5Confident81.4Confident75 Ų7577.3 Ų77.346%0.45543%0.429SS..EExtended strand (participates in β ladder)trans-67.6126.8177.2-178.90000110.2A1050 T1068 V1070A1050-V1052 PolarHBondContact O-N 2.96Å; V1052-T1068 HydrophobicContact CB-CG2 4.41Å; V1052-T1068 HydrophobicContact CG1-CG2 3.6Å; V1052-T1068 HydrophobicContact CG2-CG2 3.99Å; V1052-V1070 HydrophobicContact CG2-CG1 4.1Å
1053I88.8Confident81.3Confident66 Ų6674.9 Ų74.934%0.33842%0.416SS..EExtended strand (participates in β ladder)trans-89.7-51.8174.4-61.5174.4000109.7A1001 L1003 I1009 S1051 I1069 K1071A1001-I1053 HydrophobicContact CB-CG2 3.84Å; L1003-I1053 HydrophobicContact CD1-CD1 4.17Å; L1003-I1053 HydrophobicContact CD1-CG2 4.24Å; L1003-I1053 HydrophobicContact CD2-CD1 4.24Å; I1009-I1053 HydrophobicContact CG2-CD1 4.17Å; S1051-I1053 PolarHBondContact O-N 3.21Å; I1053-I1069 HydrophobicContact CB-CG2 4.48Å; I1053-I1069 HydrophobicContact CD1-CG2 4.29Å; I1053-I1069 PolarHBondContact N-O 2.98Å; I1053-K1071 HydrophobicContact CD1-CB 4.11Å; I1053-K1071 HydrophobicContact CG1-CB 4.3Å
1054I90.4Very high81.3Confident30 Ų3073 Ų7315%0.15440%0.402CS..EExtended strand (participates in β ladder)trans-154.8147.6-178.9-165.9164000110.5L997 K1000 A1001 I1069L997-I1054 HydrophobicContact CD1-CB 4.36Å; L997-I1054 HydrophobicContact CD1-CD1 3.76Å; L997-I1054 HydrophobicContact CD1-CG1 3.77Å; L997-I1054 HydrophobicContact CD1-CG2 3.72Å; L997-I1054 HydrophobicContact CD2-CG2 4.22Å; L997-I1054 HydrophobicContact CG-CG2 3.62Å; K1000-I1054 HydrophobicContact CB-CD1 4.12Å; K1000-I1054 HydrophobicContact CD-CD1 4.03Å; K1000-I1054 HydrophobicContact CG-CD1 3.81Å; A1001-I1054 HydrophobicContact CB-CB 4.13Å; A1001-I1054 HydrophobicContact CB-CD1 4.23Å; A1001-I1054 HydrophobicContact CB-CG2 3.73Å; I1054-I1069 HydrophobicContact CG2-CB 3.95Å; I1054-I1069 HydrophobicContact CG2-CD1 4.05Å; I1054-I1069 HydrophobicContact CG2-CG1 4.14Å; I1054-I1069 PolarHBondContact N-O 2.98Å; I1054-I1069 PolarHBondContact O-N 3.19Å
1055E90.8Very high81.5Confident106 Ų10671.2 Ų71.250%0.49539%0.394SS..EExtended strand (participates in β ladder)trans-130.9138.3176-178.1165.6-125.500109.4F1067 T1068E1055-F1067 CarbonylContact C-O 3.54Å; E1055-F1067 VanDerWaalsContact CA-O 3.31Å; E1055-F1067 WeakPolarHBondContact CA-O 3.43Å; E1055-T1068 HydrophobicContact CB-CG2 4.31Å; E1055-T1068 PolarHBondContact OE1-OG1 3.46Å
1056E91.2Very high82Confident49 Ų4968.1 Ų68.123%0.22937%0.371CS..EExtended strand (participates in β ladder)trans-148.6131.7179.3-170.9168-119.400111.6L997 K1000 T1058 F1067L997-E1056 HydrophobicContact CD1-CB 3.53Å; L997-E1056 HydrophobicContact CD1-CG 4.4Å; L997-E1056 HydrophobicContact CD2-CB 4.3Å; K1000-E1056 IonicContact NZ-OE1 3.95Å; K1000-E1056 PolarHBondContact NZ-OE1 2.92Å; E1056-T1058 HydrophobicContact CG-CG2 3.88Å; E1056-F1067 PolarHBondContact N-O 3.44Å; E1056-F1067 PolarHBondContact O-N 3.4Å
1057K88.9Confident82.6Confident113 Ų11366.7 Ų66.749%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-101.9131.5172.3-169.5175.9178.5-175.80110D1064 E1066K1057-D1064 VanDerWaalsContact CE-CG 3.44Å; K1057-D1064 WeakPolarHBondContact CE-OD2 3.18Å; K1057-D1064 IonicContact NZ-OD2 3.61Å; K1057-D1064 PolarHBondContact NZ-OD2 3Å; K1057-E1066 HydrophobicContact CG-CB 4.43Å
1058T86.2Confident83.2Confident16 Ų1664.1 Ų64.110%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-138.8152.8-176.869.30000111.3E1056 L1065E1056-T1058 HydrophobicContact CG-CG2 3.88Å; T1058-L1065 PolarHBondContact N-O 2.9Å; T1058-L1065 PolarHBondContact O-N 3.19Å; T1058-L1065 VanDerWaalsContact O-O 3.13Å; T1058-L1065 PolarHBondContact OG1-O 2.89Å
1059Q83.8Confident84Confident133 Ų13353.7 Ų53.762%0.62130%0.3SS*.EExtended strand (participates in β ladder)trans-93.7136.5170.2-81.3-165.2-1500111.8S1063 D1064Q1059-S1063 WeakPolarHBondContact CA-O 3.4Å; Q1059-D1064 WeakPolarHBondContact CG-OD1 3.48Å; Q1059-D1064 PolarHBondContact NE2-OD1 2.82Å; Q1059-D1064 VanDerWaalsContact NE2-OD1 3.14Å
1060L81Confident85Confident5 Ų547.2 Ų47.23%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-140.2118.4175.4-164.567.9000110.1V986 E989 V990 L1022 G1062 S1063 L1065V986-L1060 HydrophobicContact CG1-CD2 4.33Å; E989-L1060 HydrophobicContact CB-CD1 3.84Å; E989-L1060 HydrophobicContact CB-CD2 4.08Å; E989-L1060 HydrophobicContact CG-CD1 4.49Å; E989-L1060 VanDerWaalsContact OE2-CD1 3.25Å; E989-L1060 WeakPolarHBondContact OE2-CD1 3.28Å; V990-L1060 HydrophobicContact CG2-CD2 3.87Å; L1022-L1060 HydrophobicContact CD1-CD2 3.89Å; L1022-L1060 HydrophobicContact CD2-CB 4.31Å; L1060-G1062 PolarHBondContact O-N 2.82Å; L1060-G1062 VanDerWaalsContact O-N 3.1Å; L1060-S1063 PolarHBondContact N-O 2.84Å; L1060-S1063 PolarHBondContact O-N 2.72Å; L1060-L1065 HydrophobicContact CD2-CD2 4.23Å
1061K74.1Confident85.3Confident123 Ų12352.3 Ų52.354%0.53528%0.277SS..THydrogen-bonded Turntrans51.332.6178.3-63.2-69-176.2174.20115.1Y845 V986Y845-K1061 WeakPolarHBondContact OH-CE 3.22Å; Y845-K1061 PolarHBondContact OH-NZ 2.9Å; V986-K1061 HydrophobicContact CG2-CG 4.09Å
1062G71.8Confident84.3Confident68 Ų6849.1 Ų49.170%0.70126%0.256SS*.THydrogen-bonded Turntrans91-5.6178.800000114.8L1060L1060-G1062 PolarHBondContact O-N 2.82Å; L1060-G1062 VanDerWaalsContact O-N 3.1Å
1063S80.8Confident82.4Confident8 Ų849.5 Ų49.56%0.05626%0.262CS..EExtended strand (participates in β ladder)trans-101.2147.2173-500000111.4Q1059 L1060Q1059-S1063 WeakPolarHBondContact CA-O 3.4Å; L1060-S1063 PolarHBondContact N-O 2.84Å; L1060-S1063 PolarHBondContact O-N 2.72Å
1064D82.3Confident79.9Confident43 Ų4350.1 Ų50.123%0.2327%0.272CS..EExtended strand (participates in β ladder)trans-84.2121172.2-83.9-5.5000109.3C1015 Q1016 K1057 Q1059C1015-D1064 CarbonylContact C-O 3.59Å; C1015-D1064 WeakPolarHBondContact CA-O 3.48Å; Q1016-D1064 HydrophobicContact CB-CB 4.23Å; Q1016-D1064 PolarHBondContact N-O 3.38Å; Q1016-D1064 PolarHBondContact O-N 3.12Å; K1057-D1064 VanDerWaalsContact CE-CG 3.44Å; K1057-D1064 WeakPolarHBondContact CE-OD2 3.18Å; K1057-D1064 IonicContact NZ-OD2 3.61Å; K1057-D1064 PolarHBondContact NZ-OD2 3Å; Q1059-D1064 WeakPolarHBondContact CG-OD1 3.48Å; Q1059-D1064 PolarHBondContact NE2-OD1 2.82Å; Q1059-D1064 VanDerWaalsContact NE2-OD1 3.14Å
1065L86.6Confident77.4Confident0 Ų056.2 Ų56.20%030%0.304CS..EExtended strand (participates in β ladder)trans-116.6115179.9-177.164.9000110.2V990 Y1013 R1014 C1015 L1022 I1026 T1058 L1060 F1067V990-L1065 HydrophobicContact CG2-CD2 4.24Å; Y1013-L1065 HydrophobicContact CD2-CD1 4.36Å; R1014-L1065 WeakPolarHBondContact O-CA 3.27Å; C1015-L1065 WeakPolarHBondContact SG-CD1 3.44Å; L1022-L1065 HydrophobicContact CD2-CB 4.18Å; L1022-L1065 HydrophobicContact CD2-CD1 4.29Å; L1022-L1065 HydrophobicContact CD2-CD2 4.37Å; I1026-L1065 HydrophobicContact CD1-CD1 4.09Å; T1058-L1065 PolarHBondContact N-O 2.9Å; T1058-L1065 PolarHBondContact O-N 3.19Å; T1058-L1065 VanDerWaalsContact O-O 3.13Å; T1058-L1065 PolarHBondContact OG1-O 2.89Å; L1060-L1065 HydrophobicContact CD2-CD2 4.23Å; L1065-F1067 HydrophobicContact CD1-CE1 4.48Å; L1065-F1067 HydrophobicContact CD1-CZ 4.23Å; L1065-F1067 HydrophobicContact CD2-CD2 4.43Å; L1065-F1067 HydrophobicContact CD2-CE1 4.41Å; L1065-F1067 HydrophobicContact CD2-CE2 3.42Å; L1065-F1067 VanDerWaalsContact CD2-CE2 3.42Å; L1065-F1067 HydrophobicContact CD2-CZ 3.43Å; L1065-F1067 VanDerWaalsContact CD2-CZ 3.43Å; L1065-F1067 HydrophobicContact CG-CD2 4.31Å; L1065-F1067 HydrophobicContact CG-CE1 4.46Å; L1065-F1067 HydrophobicContact CG-CE2 3.72Å; L1065-F1067 HydrophobicContact CG-CZ 3.83Å
1066E89.3Confident74.8Confident41 Ų4155.2 Ų55.219%0.19231%0.309CS..EExtended strand (participates in β ladder)trans-104.1129.7178.8179.1173.5-131.100109.8Y1013 R1014 F1044 K1057Y1013-E1066 CarbonylContact C-O 3.54Å; Y1013-E1066 WeakPolarHBondContact CA-O 3.06Å; R1014-E1066 HydrophobicContact CB-CB 4.27Å; R1014-E1066 IonicContact CZ-OE2 3.61Å; R1014-E1066 PolarHBondContact N-O 2.98Å; R1014-E1066 IonicContact NE-OE2 3.9Å; R1014-E1066 IonicContact NH1-OE2 2.69Å; R1014-E1066 PolarHBondContact NH1-OE2 3.06Å; R1014-E1066 PolarHBondContact O-N 2.86Å; F1044-E1066 HydrophobicContact CE2-CG 4.18Å; F1044-E1066 HydrophobicContact CZ-CG 3.81Å; K1057-E1066 HydrophobicContact CG-CB 4.43Å
1067F91.7Very high72.5Confident2 Ų255.9 Ų55.91%0.00931%0.312CS..EExtended strand (participates in β ladder)trans-120.3137.8175.5-70.8-66.4000111.6V990 R993 I994 L997 V1011 Y1012 L1041 E1055 E1056 L1065V990-F1067 HydrophobicContact CG1-CE1 4.33Å; V990-F1067 HydrophobicContact CG1-CZ 3.85Å; R993-F1067 HydrophobicContact CB-CD2 4.33Å; R993-F1067 HydrophobicContact CB-CE2 3.63Å; R993-F1067 HydrophobicContact CB-CZ 4.43Å; I994-F1067 HydrophobicContact CD1-CE1 3.92Å; I994-F1067 HydrophobicContact CD1-CZ 4.21Å; I994-F1067 HydrophobicContact CG1-CD1 4.11Å; I994-F1067 HydrophobicContact CG1-CE1 3.65Å; I994-F1067 HydrophobicContact CG1-CE2 4.32Å; I994-F1067 HydrophobicContact CG1-CZ 3.74Å; L997-F1067 HydrophobicContact CD2-CB 3.63Å; V1011-F1067 HydrophobicContact CG1-CD1 3.96Å; Y1012-F1067 CarbonylContact O-C 3.59Å; Y1012-F1067 VanDerWaalsContact O-CA 3.28Å; Y1012-F1067 WeakPolarHBondContact O-CA 3.37Å; L1041-F1067 HydrophobicContact CD1-CD1 4.47Å; L1041-F1067 HydrophobicContact CD1-CE1 4.13Å; E1055-F1067 CarbonylContact C-O 3.54Å; E1055-F1067 VanDerWaalsContact CA-O 3.31Å; E1055-F1067 WeakPolarHBondContact CA-O 3.43Å; E1056-F1067 PolarHBondContact N-O 3.44Å; E1056-F1067 PolarHBondContact O-N 3.4Å; L1065-F1067 HydrophobicContact CD1-CE1 4.48Å; L1065-F1067 HydrophobicContact CD1-CZ 4.23Å; L1065-F1067 HydrophobicContact CD2-CD2 4.43Å; L1065-F1067 HydrophobicContact CD2-CE1 4.41Å; L1065-F1067 HydrophobicContact CD2-CE2 3.42Å; L1065-F1067 VanDerWaalsContact CD2-CE2 3.42Å; L1065-F1067 HydrophobicContact CD2-CZ 3.43Å; L1065-F1067 VanDerWaalsContact CD2-CZ 3.43Å; L1065-F1067 HydrophobicContact CG-CD2 4.31Å; L1065-F1067 HydrophobicContact CG-CE1 4.46Å; L1065-F1067 HydrophobicContact CG-CE2 3.72Å; L1065-F1067 HydrophobicContact CG-CZ 3.83Å
1068T90.4Very high70.3Confident1 Ų155.9 Ų55.91%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-127.8116.3171.6-45.50000109.6Y1012 F1044 V1046 V1052 E1055 V1070Y1012-T1068 PolarHBondContact N-O 2.73Å; Y1012-T1068 PolarHBondContact O-N 3.41Å; F1044-T1068 WeakPolarHBondContact CZ-OG1 3.45Å; V1046-T1068 HydrophobicContact CG2-CG2 3.97Å; V1052-T1068 HydrophobicContact CB-CG2 4.41Å; V1052-T1068 HydrophobicContact CG1-CG2 3.6Å; V1052-T1068 HydrophobicContact CG2-CG2 3.99Å; E1055-T1068 HydrophobicContact CB-CG2 4.31Å; E1055-T1068 PolarHBondContact OE1-OG1 3.46Å; T1068-V1070 HydrophobicContact CG2-CG1 4.29Å
1069I89.4Confident68.5Low0 Ų062.6 Ų62.60%035%0.349CS..EExtended strand (participates in β ladder)trans-92.1125.3172.7-57.4-176.7000108L997 R998 L1003 I1009 L1010 V1011 I1053 I1054L997-I1069 HydrophobicContact CB-CD1 4.05Å; L997-I1069 HydrophobicContact CD2-CD1 3.88Å; L997-I1069 HydrophobicContact CD2-CG1 3.82Å; L997-I1069 HydrophobicContact CG-CD1 3.74Å; L997-I1069 HydrophobicContact CG-CG1 4.19Å; R998-I1069 HydrophobicContact CG-CD1 3.85Å; L1003-I1069 HydrophobicContact CD1-CG2 4.07Å; I1009-I1069 HydrophobicContact CB-CG2 3.93Å; I1009-I1069 HydrophobicContact CD1-CD1 4.43Å; I1009-I1069 HydrophobicContact CD1-CG2 3.86Å; I1009-I1069 HydrophobicContact CG1-CG2 4.48Å; I1009-I1069 HydrophobicContact CG2-CG2 4.04Å; L1010-I1069 WeakPolarHBondContact O-CA 3.5Å; V1011-I1069 HydrophobicContact CG2-CG1 4.35Å; I1053-I1069 HydrophobicContact CB-CG2 4.48Å; I1053-I1069 HydrophobicContact CD1-CG2 4.29Å; I1053-I1069 PolarHBondContact N-O 2.98Å; I1054-I1069 HydrophobicContact CG2-CB 3.95Å; I1054-I1069 HydrophobicContact CG2-CD1 4.05Å; I1054-I1069 HydrophobicContact CG2-CG1 4.14Å; I1054-I1069 PolarHBondContact N-O 2.98Å; I1054-I1069 PolarHBondContact O-N 3.19Å
1070V87.2Confident67.4Low3 Ų358.1 Ų58.12%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-112.6154.9173.3-54.10000109.9L1010 Y1012 V1046 A1050 S1051 V1052 T1068 G1072L1010-V1070 HydrophobicContact CB-CG2 3.7Å; L1010-V1070 HydrophobicContact CD1-CG2 4.44Å; L1010-V1070 PolarHBondContact N-O 2.98Å; L1010-V1070 PolarHBondContact O-N 3.01Å; Y1012-V1070 HydrophobicContact CD2-CG1 4.29Å; Y1012-V1070 HydrophobicContact CD2-CG2 4.25Å; Y1012-V1070 HydrophobicContact CE2-CG1 4.36Å; Y1012-V1070 HydrophobicContact CE2-CG2 3.79Å; V1046-V1070 HydrophobicContact CG1-CG1 3.76Å; A1050-V1070 HydrophobicContact CB-CB 4.18Å; A1050-V1070 HydrophobicContact CB-CG1 3.93Å; A1050-V1070 HydrophobicContact CB-CG2 4.38Å; S1051-V1070 CarbonylContact O-C 3.49Å; S1051-V1070 VanDerWaalsContact O-CA 3.26Å; S1051-V1070 WeakPolarHBondContact O-CA 3.49Å; S1051-V1070 WeakPolarHBondContact O-CB 3.44Å; V1052-V1070 HydrophobicContact CG2-CG1 4.1Å; T1068-V1070 HydrophobicContact CG2-CG1 4.29Å; V1070-G1072 PolarHBondContact O-N 3.35Å
1071K78.6Confident66.4Low138 Ų13866.6 Ų66.660%0.638%0.377SS*.EExtended strand (participates in β ladder)trans-58.1128.4172.4-168.1173-175.7176.20108.2S1051 I1053 S1073S1051-K1071 PolarHBondContact O-N 2.72Å; I1053-K1071 HydrophobicContact CD1-CB 4.11Å; I1053-K1071 HydrophobicContact CG1-CB 4.3Å; K1071-S1073 VanDerWaalsContact C-N 3.31Å; K1071-S1073 PolarHBondContact O-N 3.4Å
1072G60.6Low66.6Low11 Ų1161.6 Ų61.611%0.11336%0.36CS..  trans-56.8102.7170.200000106.8D1008 V1070 S1074D1008-G1072 VanDerWaalsContact O-CA 3.26Å; D1008-G1072 WeakPolarHBondContact O-CA 3.46Å; D1008-G1072 PolarHBondContact O-N 3.5Å; V1070-G1072 PolarHBondContact O-N 3.35Å; G1072-S1074 VanDerWaalsContact C-N 3.31Å; G1072-S1074 PolarHBondContact O-N 2.71Å; G1072-S1074 VanDerWaalsContact O-N 3.08Å
1073S46.3Very low67.3Low84 Ų8459.9 Ų59.959%0.58734%0.337SS*.  trans-63.2110.4154.853.90000102.9K1071 L1075K1071-S1073 VanDerWaalsContact C-N 3.31Å; K1071-S1073 PolarHBondContact O-N 3.4Å; S1073-L1075 PolarHBondContact O-N 3.12Å
1074S37.1Very low67.6Low78 Ų7860.3 Ų60.355%0.54534%0.339SS..  trans-43.1122.9143.861.10000104.2G1072 S1076G1072-S1074 VanDerWaalsContact C-N 3.31Å; G1072-S1074 PolarHBondContact O-N 2.71Å; G1072-S1074 VanDerWaalsContact O-N 3.08Å; S1074-S1076 PolarHBondContact O-N 2.83Å
1075L37.8Very low67.9Low159 Ų15958.3 Ų58.383%0.83233%0.329SS*.  trans-55.892.7156.4-88.9155.7000103S1073 Q1077S1073-L1075 PolarHBondContact O-N 3.12Å; L1075-Q1077 PolarHBondContact O-N 3.16Å
1076S35.3Very low68Low85 Ų8558.9 Ų58.959%0.59433%0.333SS*.  trans-72.773.6173.760.40000104.4S1074 T1078S1074-S1076 PolarHBondContact O-N 2.83Å; S1076-T1078 PolarHBondContact O-N 2.66Å
1077Q42.9Very low68.2Low63 Ų6358.3 Ų58.329%0.29433%0.33SS..  trans-68.276.8146.4-73.8-178-13.900104.5L1075 K1079 L1183 D1196L1075-Q1077 PolarHBondContact O-N 3.16Å; Q1077-K1079 PolarHBondContact O-N 2.86Å; Q1077-K1079 VanDerWaalsContact O-N 3.16Å; Q1077-L1183 HydrophobicContact CB-CD1 4.12Å; Q1077-D1196 PolarHBondContact NE2-OD2 3.37Å
1078T42.4Very low68.1Low112 Ų11258.2 Ų58.269%0.68733%0.329SS*.  trans-42.8123.9165.730.80000106.5S1076 P1080S1076-T1078 PolarHBondContact O-N 2.66Å; T1078-P1080 WeakPolarHBondContact O-CD 3.46Å
1079K50.3Low68.1Low157 Ų15758.1 Ų58.168%0.68333%0.329SS*.  trans-47.1116.6173-87.5-176.7176.9178.40107.1Q1077 N1081Q1077-K1079 PolarHBondContact O-N 2.86Å; Q1077-K1079 VanDerWaalsContact O-N 3.16Å; K1079-N1081 PolarHBondContact O-N 2.96Å
1080P59.3Low68.1Low39 Ų3958.1 Ų58.125%0.25333%0.329SS..  trans-62.3127.3-176.9-1726.6000109T1078 G1082 V1084T1078-P1080 WeakPolarHBondContact O-CD 3.46Å; P1080-G1082 WeakPolarHBondContact CB-O 3.37Å; P1080-G1082 PolarHBondContact O-N 3.17Å; P1080-V1084 HydrophobicContact CB-CG2 3.61Å; P1080-V1084 HydrophobicContact CG-CG2 3.2Å
1081N59.9Low68Low183 Ų18361.1 Ų61.198%0.97934%0.34SS*.SBendtrans-7748.2174.2-89.1-7.5000111.4K1079K1079-N1081 PolarHBondContact O-N 2.96Å
1082G79.7Confident68.4Low18 Ų1854.8 Ų54.819%0.18631%0.312CS..SBendtrans154.3-177.7-17200000112.8P1080 Y1179 N1181P1080-G1082 WeakPolarHBondContact CB-O 3.37Å; P1080-G1082 PolarHBondContact O-N 3.17Å; G1082-Y1179 VanDerWaalsContact CA-OH 3.28Å; G1082-Y1179 WeakPolarHBondContact CA-OH 3.3Å; G1082-N1181 PolarHBondContact O-ND2 3.24Å
1083P85.1Confident69.4Low32 Ų3258.2 Ų58.221%0.20832%0.324CS..  trans-61.9136.4169.528.5-35.3000110.2C1085 Y1087 L1175 Y1179 N1181 T1199P1083-C1085 VanDerWaalsContact C-N 3.34Å; P1083-Y1087 HydrophobicContact CB-CD1 4.43Å; P1083-Y1087 HydrophobicContact CG-CD1 3.57Å; P1083-Y1087 HydrophobicContact CG-CE1 3.5Å; P1083-L1175 HydrophobicContact CB-CD1 3.99Å; P1083-L1175 HydrophobicContact CG-CD1 3.7Å; P1083-Y1179 HydrophobicContact CB-CD2 4.17Å; P1083-Y1179 HydrophobicContact CB-CE2 3.94Å; P1083-Y1179 WeakPolarHBondContact CD-OH 3.29Å; P1083-N1181 WeakPolarHBondContact CA-OD1 3.5Å; P1083-T1199 HydrophobicContact CB-CG2 3.91Å
1084V87.8Confident71Confident17 Ų1754.7 Ų54.710%0.10330%0.299CS..SBendtrans-71.5-31.8-179.6177.50000112.4P1080 R1109 N1181 A1197 T1199P1080-V1084 HydrophobicContact CB-CG2 3.61Å; P1080-V1084 HydrophobicContact CG-CG2 3.2Å; V1084-R1109 HydrophobicContact CG1-CB 4.05Å; V1084-R1109 HydrophobicContact CG1-CG 4.34Å; V1084-N1181 HydrophobicContact CG2-CB 3.98Å; V1084-N1181 PolarHBondContact N-OD1 3.32Å; V1084-A1197 HydrophobicContact CG1-CB 3.75Å; V1084-T1199 PolarHBondContact N-OG1 3.12Å
1085C88.8Confident72.7Confident2 Ų257.1 Ų57.11%0.01431%0.306CS..SBendtrans-92.3141.8177.1-67.60000112.4P1083 L1104 E1106 N1107 T1199P1083-C1085 VanDerWaalsContact C-N 3.34Å; C1085-L1104 HydrophobicContact CB-CD2 4.44Å; C1085-E1106 HydrophobicContact CB-CG 4.38Å; C1085-E1106 WeakPolarHBondContact CB-O 3.15Å; C1085-E1106 PolarHBondContact SG-O 2.68Å; C1085-E1106 VanDerWaalsContact SG-O 3.32Å; C1085-N1107 PolarHBondContact SG-OD1 2.97Å; C1085-T1199 PolarHBondContact N-OG1 3.22Å
1086A89.1Confident74.2Confident12 Ų1257.2 Ų57.210%0.09931%0.307CS..  trans-59.2142.3169.800000111.4L1104 L1105 E1106 S1153A1086-L1104 CarbonylContact O-C 3.44Å; A1086-L1104 WeakPolarHBondContact O-CA 3.26Å; A1086-L1105 HydrophobicContact CB-CB 4.15Å; A1086-L1105 HydrophobicContact CB-CD1 4.3Å; A1086-L1105 PolarHBondContact O-N 3.28Å; A1086-E1106 HydrophobicContact CB-CG 4.27Å; A1086-S1153 WeakPolarHBondContact CA-OG 3.39Å; A1086-S1153 WeakPolarHBondContact CB-OG 3.48Å
1087Y91.5Very high76.1Confident28 Ų2860.4 Ų60.411%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-145.7159.3-173.574.2-84.5000111.9P1083 V1102 V1103 S1153 G1154 L1175P1083-Y1087 HydrophobicContact CB-CD1 4.43Å; P1083-Y1087 HydrophobicContact CG-CD1 3.57Å; P1083-Y1087 HydrophobicContact CG-CE1 3.5Å; Y1087-V1102 HydrophobicContact CD2-CG1 3.96Å; Y1087-V1102 HydrophobicContact CG-CG1 4.36Å; Y1087-V1103 CarbonylContact C-O 3.59Å; Y1087-V1103 VanDerWaalsContact CA-O 3.26Å; Y1087-V1103 WeakPolarHBondContact CA-O 3.49Å; Y1087-S1153 PolarHBondContact N-OG 2.8Å; Y1087-S1153 CarbonylContact O-C 3.53Å; Y1087-S1153 VanDerWaalsContact O-CA 3.23Å; Y1087-S1153 WeakPolarHBondContact O-CA 3.48Å; Y1087-G1154 PolarHBondContact O-N 3.49Å; Y1087-L1175 HydrophobicContact CD1-CD1 3.71Å; Y1087-L1175 HydrophobicContact CD2-CB 4.19Å; Y1087-L1175 HydrophobicContact CD2-CD1 3.65Å; Y1087-L1175 HydrophobicContact CD2-CG 3.7Å; Y1087-L1175 HydrophobicContact CE1-CB 4.35Å; Y1087-L1175 HydrophobicContact CE1-CD1 3.85Å; Y1087-L1175 HydrophobicContact CE1-CG 4.45Å; Y1087-L1175 HydrophobicContact CE2-CB 3.51Å; Y1087-L1175 HydrophobicContact CE2-CD1 3.79Å; Y1087-L1175 HydrophobicContact CE2-CG 3.57Å; Y1087-L1175 HydrophobicContact CG-CD1 3.61Å; Y1087-L1175 HydrophobicContact CG-CG 4.2Å; Y1087-L1175 PolarHBondContact OH-N 3.35Å
1088I91.6Very high78Confident0 Ų062 Ų620%032%0.318CS..EExtended strand (participates in β ladder)trans-129.2143.1167.848.7173.1000109.9L1090 V1102 V1103 L1105 L1119 Y1152 L1157I1088-L1090 HydrophobicContact CD1-CD2 3.87Å; I1088-L1090 HydrophobicContact CG1-CD2 4.36Å; I1088-V1102 WeakPolarHBondContact O-CA 3.38Å; I1088-V1103 HydrophobicContact CG1-CB 4.06Å; I1088-V1103 PolarHBondContact N-O 3.05Å; I1088-V1103 PolarHBondContact O-N 2.86Å; I1088-L1105 HydrophobicContact CD1-CD2 3.85Å; I1088-L1105 HydrophobicContact CG1-CD2 3.84Å; I1088-L1105 HydrophobicContact CG1-CG 4.38Å; I1088-L1105 HydrophobicContact CG2-CD1 4.03Å; I1088-L1105 HydrophobicContact CG2-CD2 4.33Å; I1088-L1105 HydrophobicContact CG2-CG 4.38Å; I1088-L1119 HydrophobicContact CD1-CD1 3.78Å; I1088-L1119 HydrophobicContact CD1-CD2 3.8Å; I1088-L1119 HydrophobicContact CD1-CG 4.46Å; I1088-Y1152 VanDerWaalsContact CG2-O 3.24Å; I1088-Y1152 WeakPolarHBondContact CG2-O 3.44Å; I1088-L1157 HydrophobicContact CD1-CD1 3.68Å; I1088-L1157 HydrophobicContact CD1-CG 4.37Å
1089N89.6Confident80.1Confident0 Ų058.4 Ų58.40%029%0.293CS..EExtended strand (participates in β ladder)trans-81.1136.5167.4-70.2-30000108.2V1102 K1155 T1156 L1157 T1174 L1176N1089-V1102 WeakPolarHBondContact OD1-CG2 3.49Å; N1089-K1155 PolarHBondContact N-O 3.22Å; N1089-T1156 HydrophobicContact CB-CG2 4.02Å; N1089-T1156 WeakPolarHBondContact CB-OG1 3.41Å; N1089-T1156 PolarHBondContact ND2-OG1 2.85Å; N1089-T1156 CarbonylContact O-C 3.54Å; N1089-T1156 WeakPolarHBondContact O-CA 3.4Å; N1089-L1157 PolarHBondContact O-N 3.49Å; N1089-T1174 PolarHBondContact ND2-O 3.44Å; N1089-L1176 HydrophobicContact CB-CD1 3.66Å; N1089-L1176 HydrophobicContact CB-CG 4.11Å; N1089-L1176 PolarHBondContact OD1-N 3.29Å; N1089-L1176 VanDerWaalsContact OD1-N 3.12Å
1090L88.7Confident81.9Confident0 Ų053.8 Ų53.80%027%0.274CS..EExtended strand (participates in β ladder)trans-117.1127.9175.3-66-171.5000109.5I1088 V1092 E1100 G1101 V1103 L1119 C1123 F1127 F1136 L1157 V1159I1088-L1090 HydrophobicContact CD1-CD2 3.87Å; I1088-L1090 HydrophobicContact CG1-CD2 4.36Å; L1090-V1092 HydrophobicContact CB-CG2 4.19Å; L1090-E1100 CarbonylContact O-C 3.32Å; L1090-E1100 VanDerWaalsContact O-CA 3.31Å; L1090-E1100 WeakPolarHBondContact O-CA 3.42Å; L1090-G1101 PolarHBondContact N-O 3.31Å; L1090-G1101 PolarHBondContact O-N 3.46Å; L1090-V1103 HydrophobicContact CD1-CB 4.34Å; L1090-V1103 HydrophobicContact CD1-CG2 3.4Å; L1090-V1103 VanDerWaalsContact CD1-CG2 3.4Å; L1090-V1103 HydrophobicContact CG-CG2 4.06Å; L1090-L1119 HydrophobicContact CD1-CD1 4.37Å; L1090-C1123 HydrophobicContact CD1-CB 4.01Å; L1090-F1127 HydrophobicContact CB-CE2 3.98Å; L1090-F1127 HydrophobicContact CB-CZ 3.97Å; L1090-F1127 HydrophobicContact CD1-CE2 4Å; L1090-F1136 HydrophobicContact CD1-CE1 4.27Å; L1090-F1136 HydrophobicContact CD2-CD1 4.21Å; L1090-F1136 HydrophobicContact CD2-CE1 4.17Å; L1090-L1157 HydrophobicContact CD2-CB 3.8Å; L1090-L1157 HydrophobicContact CD2-CD1 4.41Å; L1090-L1157 HydrophobicContact CD2-CG 4.45Å; L1090-V1159 HydrophobicContact CB-CG2 4.43Å; L1090-V1159 HydrophobicContact CD2-CG2 3.9Å
1091R86.3Confident83.4Confident66 Ų6652 Ų5225%0.24926%0.262CS..EExtended strand (participates in β ladder)trans-112.4106.5167.3-173.7169.2178.1144.8-5.1108.5E1098 Q1099 E1100 L1157 L1158 V1159R1091-E1098 HydrophobicContact CG-CG 4.38Å; R1091-E1098 IonicContact CZ-OE1 3.85Å; R1091-E1098 IonicContact NE-OE1 3.02Å; R1091-E1098 PolarHBondContact NE-OE1 2.93Å; R1091-E1098 IonicContact NH2-OE1 3.91Å; R1091-E1098 PolarHBondContact NH2-OE1 3.46Å; R1091-E1098 IonicContact NH2-OE2 2.93Å; R1091-E1098 PolarHBondContact NH2-OE2 3.27Å; R1091-Q1099 CarbonylContact C-O 3.54Å; R1091-E1100 HydrophobicContact CB-CG 4.24Å; R1091-E1100 WeakPolarHBondContact CD-OE1 3.35Å; R1091-E1100 HydrophobicContact CG-CG 3.93Å; R1091-E1100 IonicContact CZ-OE1 3.48Å; R1091-E1100 IonicContact NE-OE1 2.7Å; R1091-E1100 IonicContact NH1-OE1 3.72Å; R1091-E1100 PolarHBondContact NH1-OE1 3Å; R1091-L1157 PolarHBondContact N-O 3.28Å; R1091-L1158 HydrophobicContact CB-CD2 4.11Å; R1091-L1158 HydrophobicContact CG-CD2 4.46Å; R1091-V1159 PolarHBondContact O-N 3.26Å
1092V85.6Confident84.9Confident4 Ų443.2 Ų43.22%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-102.2117.5-171.2-170.80000109.3L1090 V1094 E1098 Q1099 F1127 I1129 V1159L1090-V1092 HydrophobicContact CB-CG2 4.19Å; V1092-V1094 HydrophobicContact CG1-CG2 3.88Å; V1092-E1098 WeakPolarHBondContact O-CA 3.26Å; V1092-Q1099 PolarHBondContact N-O 3.48Å; V1092-Q1099 PolarHBondContact O-N 2.59Å; V1092-F1127 HydrophobicContact CB-CD1 4.29Å; V1092-F1127 HydrophobicContact CB-CD2 4.48Å; V1092-F1127 HydrophobicContact CB-CE1 4.44Å; V1092-F1127 HydrophobicContact CB-CG 4.3Å; V1092-F1127 HydrophobicContact CG2-CD1 3.99Å; V1092-F1127 HydrophobicContact CG2-CD2 3.56Å; V1092-F1127 HydrophobicContact CG2-CE1 3.88Å; V1092-F1127 HydrophobicContact CG2-CE2 3.46Å; V1092-F1127 VanDerWaalsContact CG2-CE2 3.46Å; V1092-F1127 HydrophobicContact CG2-CG 3.83Å; V1092-F1127 HydrophobicContact CG2-CZ 3.61Å; V1092-I1129 HydrophobicContact CG1-CD1 3.39Å; V1092-V1159 HydrophobicContact CB-CB 4.3Å; V1092-V1159 HydrophobicContact CG1-CB 4.16Å; V1092-V1159 HydrophobicContact CG1-CG1 4.29Å; V1092-V1159 HydrophobicContact CG2-CB 3.96Å; V1092-V1159 HydrophobicContact CG2-CG2 4.1Å
1093K83.3Confident85.4Confident84 Ų8442.5 Ų42.537%0.36521%0.207SC..EExtended strand (participates in β ladder)trans-118.598.7176-168.9173.9-175.3169.50109.7K1097 V1159 P1166K1093-K1097 WeakPolarHBondContact CA-O 3.5Å; K1093-V1159 PolarHBondContact N-O 3.48Å; K1093-P1166 HydrophobicContact CB-CB 4.23Å; K1093-P1166 HydrophobicContact CB-CG 4.4Å; K1093-P1166 HydrophobicContact CD-CB 3.8Å
1094V79.4Confident85.7Confident9 Ų942.3 Ų42.36%0.05521%0.205CC..EExtended strand (participates in β ladder)trans-135.6136.1-179.4-179.90000107.8V1092 N1096 K1097 I1129 T1132 L1134V1092-V1094 HydrophobicContact CG1-CG2 3.88Å; V1094-N1096 VanDerWaalsContact C-N 3.34Å; V1094-N1096 PolarHBondContact O-N 3.39Å; V1094-K1097 PolarHBondContact N-O 3.17Å; V1094-K1097 VanDerWaalsContact N-O 3.14Å; V1094-K1097 PolarHBondContact O-N 3.21Å; V1094-I1129 HydrophobicContact CB-CD1 4.25Å; V1094-I1129 HydrophobicContact CG1-CG2 4.27Å; V1094-I1129 HydrophobicContact CG2-CD1 4.1Å; V1094-T1132 HydrophobicContact CG1-CG2 4.11Å; V1094-L1134 HydrophobicContact CG2-CD2 3.99Å
1095D72.4Confident85.8Confident129 Ų12941.5 Ų41.569%0.6920%0.2SC*.THydrogen-bonded Turntrans51.544.1177.9-53.8-30.6000114.8K1097D1095-K1097 PolarHBondContact O-N 3.49Å; D1095-K1097 VanDerWaalsContact O-N 3.09Å
1096N68.4Low85.9Confident161 Ų16142.2 Ų42.286%0.86120%0.203SC*.THydrogen-bonded Turntrans59.112.4-175.8-83.4-9.7000115.8V1094V1094-N1096 VanDerWaalsContact C-N 3.34Å; V1094-N1096 PolarHBondContact O-N 3.39Å
1097K75.6Confident85.8Confident153 Ų15343.3 Ų43.367%0.66521%0.207SC*.EExtended strand (participates in β ladder)trans-101.8132170.2-67.8176.9-177.8170.50109.4K1093 V1094 D1095K1093-K1097 WeakPolarHBondContact CA-O 3.5Å; V1094-K1097 PolarHBondContact N-O 3.17Å; V1094-K1097 VanDerWaalsContact N-O 3.14Å; V1094-K1097 PolarHBondContact O-N 3.21Å; D1095-K1097 PolarHBondContact O-N 3.49Å; D1095-K1097 VanDerWaalsContact O-N 3.09Å
1098E83.1Confident85.6Confident96 Ų9642 Ų4245%0.44920%0.202SC..EExtended strand (participates in β ladder)trans-112.6123.4175.8-169.8162.5-143.600108.6R1091 V1092R1091-E1098 HydrophobicContact CG-CG 4.38Å; R1091-E1098 IonicContact CZ-OE1 3.85Å; R1091-E1098 IonicContact NE-OE1 3.02Å; R1091-E1098 PolarHBondContact NE-OE1 2.93Å; R1091-E1098 IonicContact NH2-OE1 3.91Å; R1091-E1098 PolarHBondContact NH2-OE1 3.46Å; R1091-E1098 IonicContact NH2-OE2 2.93Å; R1091-E1098 PolarHBondContact NH2-OE2 3.27Å; V1092-E1098 WeakPolarHBondContact O-CA 3.26Å
1099Q86.2Confident85.3Confident36 Ų3649.3 Ų49.317%0.16823%0.229CC..EExtended strand (participates in β ladder)trans-133146.1178-67.5-174.5-24.300109.7R1091 V1092 F1127R1091-Q1099 CarbonylContact C-O 3.54Å; V1092-Q1099 PolarHBondContact N-O 3.48Å; V1092-Q1099 PolarHBondContact O-N 2.59Å; Q1099-F1127 HydrophobicContact CB-CD1 3.58Å; Q1099-F1127 HydrophobicContact CB-CE1 3.82Å; Q1099-F1127 PolarHBondContact OE1-O 2.73Å
1100E88.8Confident84.9Confident61 Ų6151.1 Ų51.129%0.28525%0.249SC..EExtended strand (participates in β ladder)trans-117.7145.8177.5-73.8-179.416500109.3L1090 R1091 L1176 P1205 V1206L1090-E1100 CarbonylContact O-C 3.32Å; L1090-E1100 VanDerWaalsContact O-CA 3.31Å; L1090-E1100 WeakPolarHBondContact O-CA 3.42Å; R1091-E1100 HydrophobicContact CB-CG 4.24Å; R1091-E1100 WeakPolarHBondContact CD-OE1 3.35Å; R1091-E1100 HydrophobicContact CG-CG 3.93Å; R1091-E1100 IonicContact CZ-OE1 3.48Å; R1091-E1100 IonicContact NE-OE1 2.7Å; R1091-E1100 IonicContact NH1-OE1 3.72Å; R1091-E1100 PolarHBondContact NH1-OE1 3Å; E1100-L1176 HydrophobicContact CB-CD1 4.1Å; E1100-L1176 HydrophobicContact CG-CD1 4.48Å; E1100-P1205 WeakPolarHBondContact O-CB 3.44Å; E1100-V1206 HydrophobicContact CB-CB 4.4Å; E1100-V1206 HydrophobicContact CB-CG2 3.95Å; E1100-V1206 WeakPolarHBondContact O-CB 3.4Å; E1100-V1206 WeakPolarHBondContact O-CG2 3.36Å; E1100-V1206 PolarHBondContact O-N 3Å
1101G89.8Confident84.5Confident0 Ų052.8 Ų52.80%026%0.257CS..EExtended strand (participates in β ladder)trans-168.4-179.3-179.600000111.3L1090 N1204L1090-G1101 PolarHBondContact N-O 3.31Å; L1090-G1101 PolarHBondContact O-N 3.46Å; G1101-N1204 WeakPolarHBondContact CA-OD1 3.43Å
1102V91.8Very high84.3Confident0 Ų054.6 Ų54.60%027%0.272CS..EExtended strand (participates in β ladder)trans-125.8140.4-177178.30000109.7Y1087 I1088 N1089 L1175 L1176 C1177 L1201 N1204Y1087-V1102 HydrophobicContact CD2-CG1 3.96Å; Y1087-V1102 HydrophobicContact CG-CG1 4.36Å; I1088-V1102 WeakPolarHBondContact O-CA 3.38Å; N1089-V1102 WeakPolarHBondContact OD1-CG2 3.49Å; V1102-L1175 HydrophobicContact CG1-CD1 4.32Å; V1102-L1175 HydrophobicContact CG1-CD2 4.3Å; V1102-L1175 HydrophobicContact CG1-CG 4.09Å; V1102-L1175 HydrophobicContact CG2-CD2 3.91Å; V1102-L1175 HydrophobicContact CG2-CG 4.1Å; V1102-L1176 HydrophobicContact CG2-CB 3.97Å; V1102-C1177 HydrophobicContact CB-CB 4.2Å; V1102-C1177 HydrophobicContact CG2-CB 3.74Å; V1102-L1201 HydrophobicContact CB-CD1 3.79Å; V1102-L1201 HydrophobicContact CB-CD2 4.22Å; V1102-L1201 HydrophobicContact CG1-CD1 3.98Å; V1102-L1201 HydrophobicContact CG1-CD2 4.04Å; V1102-L1201 WeakPolarHBondContact O-CD1 3.31Å; V1102-N1204 PolarHBondContact N-OD1 3.29Å; V1102-N1204 PolarHBondContact O-ND2 3.17Å; V1102-N1204 PolarHBondContact O-OD1 3.25Å
1103V91Very high84.3Confident2 Ų261.5 Ų61.51%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-119.9128.2170.1177.40000109.1Y1087 I1088 L1090 L1114 L1119 V1122 I1126Y1087-V1103 CarbonylContact C-O 3.59Å; Y1087-V1103 VanDerWaalsContact CA-O 3.26Å; Y1087-V1103 WeakPolarHBondContact CA-O 3.49Å; I1088-V1103 HydrophobicContact CG1-CB 4.06Å; I1088-V1103 PolarHBondContact N-O 3.05Å; I1088-V1103 PolarHBondContact O-N 2.86Å; L1090-V1103 HydrophobicContact CD1-CB 4.34Å; L1090-V1103 HydrophobicContact CD1-CG2 3.4Å; L1090-V1103 VanDerWaalsContact CD1-CG2 3.4Å; L1090-V1103 HydrophobicContact CG-CG2 4.06Å; V1103-L1114 HydrophobicContact CG1-CD1 3.39Å; V1103-L1119 HydrophobicContact CB-CD1 4.1Å; V1103-L1119 HydrophobicContact CG1-CD1 3.71Å; V1103-L1119 HydrophobicContact CG2-CD1 4.2Å; V1103-V1122 HydrophobicContact CG1-CG1 3.82Å; V1103-V1122 HydrophobicContact CG2-CG1 4.09Å; V1103-I1126 HydrophobicContact CG2-CD1 3.68Å
1104L91.8Very high84.4Confident28 Ų2859 Ų5915%0.14729%0.288CS..EExtended strand (participates in β ladder)trans-81.2125.7172.1-58176.1000108.6C1085 A1086 E1106 N1107 L1114 T1199 L1201C1085-L1104 HydrophobicContact CB-CD2 4.44Å; A1086-L1104 CarbonylContact O-C 3.44Å; A1086-L1104 WeakPolarHBondContact O-CA 3.26Å; L1104-E1106 VanDerWaalsContact C-N 3.33Å; L1104-N1107 HydrophobicContact CB-CB 4.39Å; L1104-N1107 HydrophobicContact CD1-CB 4.23Å; L1104-N1107 VanDerWaalsContact CD1-ND2 3.31Å; L1104-N1107 WeakPolarHBondContact CD1-ND2 3.34Å; L1104-L1114 WeakPolarHBondContact O-CD1 3.4Å; L1104-T1199 HydrophobicContact CD1-CG2 4.37Å; L1104-T1199 WeakPolarHBondContact CD1-O 3.45Å; L1104-T1199 HydrophobicContact CD2-CG2 4.09Å; L1104-L1201 HydrophobicContact CD1-CG 4.47Å; L1104-L1201 HydrophobicContact CD2-CD2 4.48Å; L1104-L1201 HydrophobicContact CG-CD1 4.42Å; L1104-L1201 HydrophobicContact CG-CG 4.48Å
1105L90Very high84.8Confident0 Ų062 Ų620%030%0.303CS..SBendtrans-79.5-19.3-176.9-63.6179.6000113A1086 I1088 R1113 L1114 L1149A1086-L1105 HydrophobicContact CB-CB 4.15Å; A1086-L1105 HydrophobicContact CB-CD1 4.3Å; A1086-L1105 PolarHBondContact O-N 3.28Å; I1088-L1105 HydrophobicContact CD1-CD2 3.85Å; I1088-L1105 HydrophobicContact CG1-CD2 3.84Å; I1088-L1105 HydrophobicContact CG1-CG 4.38Å; I1088-L1105 HydrophobicContact CG2-CD1 4.03Å; I1088-L1105 HydrophobicContact CG2-CD2 4.33Å; I1088-L1105 HydrophobicContact CG2-CG 4.38Å; L1105-R1113 CarbonylContact O-C 3.46Å; L1105-R1113 VanDerWaalsContact O-CA 3.32Å; L1105-R1113 WeakPolarHBondContact O-CA 3.35Å; L1105-L1114 PolarHBondContact O-N 3.2Å; L1105-L1149 HydrophobicContact CD1-CB 4.48Å; L1105-L1149 WeakPolarHBondContact CD1-O 3.48Å; L1105-L1149 HydrophobicContact CD2-CB 3.97Å; L1105-L1149 HydrophobicContact CD2-CD1 4.38Å
1106E89Confident85.3Confident18 Ų1856.1 Ų56.18%0.08427%0.272CS..SBendtrans-149143.2172.859.4-179.1178.100108C1085 A1086 L1104 G1110 D1111 R1113C1085-E1106 HydrophobicContact CB-CG 4.38Å; C1085-E1106 WeakPolarHBondContact CB-O 3.15Å; C1085-E1106 PolarHBondContact SG-O 2.68Å; C1085-E1106 VanDerWaalsContact SG-O 3.32Å; A1086-E1106 HydrophobicContact CB-CG 4.27Å; L1104-E1106 VanDerWaalsContact C-N 3.33Å; E1106-G1110 WeakPolarHBondContact OE2-CA 3.31Å; E1106-G1110 PolarHBondContact OE2-N 3.38Å; E1106-D1111 WeakPolarHBondContact CA-O 3.44Å; E1106-D1111 WeakPolarHBondContact CB-O 3.41Å; E1106-R1113 HydrophobicContact CB-CG 4.09Å; E1106-R1113 IonicContact OE2-NE 3.45Å; E1106-R1113 IonicContact OE2-NH2 3.02Å
1107N88.1Confident86Confident34 Ų3453.2 Ų53.218%0.18226%0.257CS..SBendtrans-169.7114.9174.2-157.817.3000111.4C1085 L1104 D1111 N1112 G1198 T1199 L1223C1085-N1107 PolarHBondContact SG-OD1 2.97Å; L1104-N1107 HydrophobicContact CB-CB 4.39Å; L1104-N1107 HydrophobicContact CD1-CB 4.23Å; L1104-N1107 VanDerWaalsContact CD1-ND2 3.31Å; L1104-N1107 WeakPolarHBondContact CD1-ND2 3.34Å; N1107-D1111 PolarHBondContact N-O 3Å; N1107-N1112 WeakPolarHBondContact O-CB 3.44Å; N1107-N1112 PolarHBondContact O-ND2 3.42Å; N1107-G1198 WeakPolarHBondContact OD1-CA 3.44Å; N1107-T1199 PolarHBondContact ND2-O 3.22Å; N1107-T1199 PolarHBondContact OD1-N 3.33Å; N1107-T1199 VanDerWaalsContact OD1-N 3.12Å; N1107-T1199 PolarHBondContact OD1-O 3.13Å; N1107-L1223 WeakPolarHBondContact ND2-CD1 3.49Å; N1107-L1223 VanDerWaalsContact OD1-CD1 3.3Å; N1107-L1223 WeakPolarHBondContact OD1-CD1 3.28Å
1108P87.4Confident86.6Confident0 Ų050.5 Ų50.50%025%0.245CC..SBendcis-651700.926.8-32000112.5G1110 D1111 A1197 L1223 F1224P1108-G1110 PolarHBondContact O-N 3.25Å; P1108-D1111 HydrophobicContact CG-CB 4.06Å; P1108-D1111 PolarHBondContact O-N 3.35Å; P1108-A1197 WeakPolarHBondContact CB-O 3.35Å; P1108-L1223 HydrophobicContact CB-CD2 4.04Å; P1108-F1224 HydrophobicContact CB-CE1 4.33Å
1109R84.9Confident86.8Confident154 Ų15446 Ų4658%0.58122%0.224SC*.THydrogen-bonded Turntrans-56.2127.5-177-173.7-176.4-175.3-177.22.3110.5V1084 D1111 A1197V1084-R1109 HydrophobicContact CG1-CB 4.05Å; V1084-R1109 HydrophobicContact CG1-CG 4.34Å; R1109-D1111 VanDerWaalsContact C-N 3.33Å; R1109-A1197 WeakPolarHBondContact CB-O 3.27Å; R1109-A1197 PolarHBondContact N-O 2.89Å
1110G80.6Confident86.8Confident39 Ų3947.9 Ų47.940%0.40223%0.229SC..THydrogen-bonded Turntrans89.4-13.8-176.200000115.1E1106 P1108E1106-G1110 WeakPolarHBondContact OE2-CA 3.31Å; E1106-G1110 PolarHBondContact OE2-N 3.38Å; P1108-G1110 PolarHBondContact O-N 3.25Å
1111D81.8Confident86.6Confident35 Ų3552.5 Ų52.519%0.18725%0.248CC..SBendtrans-120.8166.9-176-76-48.4000113.1E1106 N1107 P1108 R1109 R1113 A1194 G1195E1106-D1111 WeakPolarHBondContact CA-O 3.44Å; E1106-D1111 WeakPolarHBondContact CB-O 3.41Å; N1107-D1111 PolarHBondContact N-O 3Å; P1108-D1111 HydrophobicContact CG-CB 4.06Å; P1108-D1111 PolarHBondContact O-N 3.35Å; R1109-D1111 VanDerWaalsContact C-N 3.33Å; D1111-R1113 PolarHBondContact O-N 2.92Å; D1111-R1113 VanDerWaalsContact O-N 3.16Å; D1111-A1194 WeakPolarHBondContact OD2-CA 3.26Å; D1111-A1194 PolarHBondContact OD2-N 2.95Å; D1111-G1195 PolarHBondContact OD2-N 3.04Å
1112N81.1Confident86.4Confident103 Ų10354.8 Ų54.855%0.55126%0.263SS*.SBendtrans52.636.6177.8-63.9-41.3000114.2N1107 L1114N1107-N1112 WeakPolarHBondContact O-CB 3.44Å; N1107-N1112 PolarHBondContact O-ND2 3.42Å; N1112-L1114 PolarHBondContact O-N 3.5Å
1113R85.8Confident86.1Confident149 Ų14954.8 Ų54.856%0.56226%0.263SS*.  trans-58.1131.9-179.4-69.1-175.4175.4-175.71.6112.1L1105 E1106 D1111 K1118L1105-R1113 CarbonylContact O-C 3.46Å; L1105-R1113 VanDerWaalsContact O-CA 3.32Å; L1105-R1113 WeakPolarHBondContact O-CA 3.35Å; E1106-R1113 HydrophobicContact CB-CG 4.09Å; E1106-R1113 IonicContact OE2-NE 3.45Å; E1106-R1113 IonicContact OE2-NH2 3.02Å; D1111-R1113 PolarHBondContact O-N 2.92Å; D1111-R1113 VanDerWaalsContact O-N 3.16Å; R1113-K1118 PolarHBondContact O-NZ 3.39Å
1114L86.4Confident85.8Confident33 Ų3355.9 Ų55.917%0.17327%0.27CS..  trans-82.9138.4176.1-59.1-174.8000110.8V1103 L1104 L1105 N1112 K1118 V1122 L1149V1103-L1114 HydrophobicContact CG1-CD1 3.39Å; L1104-L1114 WeakPolarHBondContact O-CD1 3.4Å; L1105-L1114 PolarHBondContact O-N 3.2Å; N1112-L1114 PolarHBondContact O-N 3.5Å; L1114-K1118 HydrophobicContact CD2-CB 3.88Å; L1114-K1118 HydrophobicContact CD2-CD 4.44Å; L1114-V1122 HydrophobicContact CD1-CG2 4.45Å; L1114-V1122 HydrophobicContact CD2-CG2 4.21Å; L1114-L1149 HydrophobicContact CB-CD1 4.24Å
1115D86.3Confident85.5Confident70 Ų7059.1 Ų59.137%0.37430%0.295SS..  trans-103.1175.1160.554.750.9000109D1117 K1118 L1119 L1149D1115-D1117 PolarHBondContact O-N 2.87Å; D1115-D1117 PolarHBondContact OD1-N 3.45Å; D1115-K1118 PolarHBondContact O-N 2.86Å; D1115-K1118 WeakPolarHBondContact OD1-CB 3.49Å; D1115-K1118 VanDerWaalsContact OD1-CG 3.31Å; D1115-K1118 WeakPolarHBondContact OD1-CG 3.38Å; D1115-K1118 PolarHBondContact OD1-N 3.4Å; D1115-K1118 WeakPolarHBondContact OD2-CD 3.13Å; D1115-K1118 WeakPolarHBondContact OD2-CE 3.5Å; D1115-K1118 IonicContact OD2-NZ 3.35Å; D1115-K1118 PolarHBondContact OD2-NZ 2.93Å; D1115-L1119 WeakPolarHBondContact O-CB 3.39Å; D1115-L1119 PolarHBondContact O-N 3.45Å; D1115-L1149 VanDerWaalsContact C-CD1 3.47Å
1116L83.8Confident85.2Confident7 Ų760.7 Ų60.74%0.03730%0.303CS..Hα-helixtrans-60.9-32.6-175.8-157.7103.5000113R1120 L1143 L1149L1116-R1120 WeakPolarHBondContact O-CG 2.85Å; L1116-R1120 PolarHBondContact O-N 3.33Å; L1116-L1143 HydrophobicContact CD1-CB 3.63Å; L1116-L1143 HydrophobicContact CD1-CD2 4.14Å; L1116-L1149 HydrophobicContact CD1-CD2 4.23Å
1117D83.6Confident85Confident99 Ų9960.5 Ų60.553%0.52930%0.302SS..Hα-helixtrans-75.6-39.5179.6-75.7-30.9000111.9D1115 R1120 K1121D1115-D1117 PolarHBondContact O-N 2.87Å; D1115-D1117 PolarHBondContact OD1-N 3.45Å; D1117-R1120 WeakPolarHBondContact O-CB 3.36Å; D1117-R1120 PolarHBondContact O-N 3Å; D1117-K1121 PolarHBondContact O-N 3.4Å
1118K86.8Confident84.6Confident97 Ų9761.7 Ų61.742%0.42232%0.322SS..Hα-helixtrans-66-39.8170.6-68.7172.5-170.9161.20111R1113 L1114 D1115 R1120 K1121 V1122R1113-K1118 PolarHBondContact O-NZ 3.39Å; L1114-K1118 HydrophobicContact CD2-CB 3.88Å; L1114-K1118 HydrophobicContact CD2-CD 4.44Å; D1115-K1118 PolarHBondContact O-N 2.86Å; D1115-K1118 WeakPolarHBondContact OD1-CB 3.49Å; D1115-K1118 VanDerWaalsContact OD1-CG 3.31Å; D1115-K1118 WeakPolarHBondContact OD1-CG 3.38Å; D1115-K1118 PolarHBondContact OD1-N 3.4Å; D1115-K1118 WeakPolarHBondContact OD2-CD 3.13Å; D1115-K1118 WeakPolarHBondContact OD2-CE 3.5Å; D1115-K1118 IonicContact OD2-NZ 3.35Å; D1115-K1118 PolarHBondContact OD2-NZ 2.93Å; K1118-R1120 VanDerWaalsContact C-N 3.32Å; K1118-R1120 PolarHBondContact O-N 2.95Å; K1118-K1121 PolarHBondContact O-N 3.45Å; K1118-K1121 VanDerWaalsContact O-N 3.16Å; K1118-V1122 WeakPolarHBondContact O-CB 3.2Å; K1118-V1122 VanDerWaalsContact O-CG2 3.31Å; K1118-V1122 WeakPolarHBondContact O-CG2 3.3Å; K1118-V1122 PolarHBondContact O-N 3.42Å
1119L87.1Confident84.2Confident0 Ų062.8 Ų62.80%033%0.328CS..Hα-helixtrans-59.4-41.8175.3177.360.5000111.4I1088 L1090 V1103 D1115 K1121 V1122 C1123 F1136 L1149I1088-L1119 HydrophobicContact CD1-CD1 3.78Å; I1088-L1119 HydrophobicContact CD1-CD2 3.8Å; I1088-L1119 HydrophobicContact CD1-CG 4.46Å; L1090-L1119 HydrophobicContact CD1-CD1 4.37Å; V1103-L1119 HydrophobicContact CB-CD1 4.1Å; V1103-L1119 HydrophobicContact CG1-CD1 3.71Å; V1103-L1119 HydrophobicContact CG2-CD1 4.2Å; D1115-L1119 WeakPolarHBondContact O-CB 3.39Å; D1115-L1119 PolarHBondContact O-N 3.45Å; L1119-K1121 PolarHBondContact O-N 3.26Å; L1119-V1122 PolarHBondContact O-N 2.84Å; L1119-C1123 WeakPolarHBondContact O-CB 3.37Å; L1119-C1123 PolarHBondContact O-N 2.98Å; L1119-F1136 HydrophobicContact CD1-CE1 4.3Å; L1119-F1136 HydrophobicContact CD2-CD1 3.85Å; L1119-F1136 HydrophobicContact CD2-CE1 3.78Å; L1119-F1136 HydrophobicContact CD2-CG 4.4Å; L1119-F1136 HydrophobicContact CD2-CZ 4.28Å; L1119-F1136 HydrophobicContact CG-CD1 4.31Å; L1119-F1136 HydrophobicContact CG-CE1 3.7Å; L1119-F1136 HydrophobicContact CG-CZ 3.91Å; L1119-L1149 HydrophobicContact CB-CD1 3.93Å; L1119-L1149 HydrophobicContact CD2-CD1 3.88Å; L1119-L1149 HydrophobicContact CD2-CD2 3.83Å; L1119-L1149 HydrophobicContact CG-CD1 4.47Å
1120R86.2Confident83.5Confident77 Ų7762 Ų6229%0.29134%0.335SS..Hα-helixtrans-56-50.2172.1-78.7168-172.4-152.41111.9L1116 D1117 K1118 C1123 S1124 L1134 F1136L1116-R1120 WeakPolarHBondContact O-CG 2.85Å; L1116-R1120 PolarHBondContact O-N 3.33Å; D1117-R1120 WeakPolarHBondContact O-CB 3.36Å; D1117-R1120 PolarHBondContact O-N 3Å; K1118-R1120 VanDerWaalsContact C-N 3.32Å; K1118-R1120 PolarHBondContact O-N 2.95Å; R1120-C1123 PolarHBondContact O-N 3.37Å; R1120-S1124 WeakPolarHBondContact O-CB 3.45Å; R1120-S1124 PolarHBondContact O-N 3.39Å; R1120-S1124 PolarHBondContact O-OG 2.99Å; R1120-L1134 PolarHBondContact NE-O 2.76Å; R1120-F1136 HydrophobicContact CB-CE2 4.49Å; R1120-F1136 HydrophobicContact CG-CD2 4.46Å; R1120-F1136 HydrophobicContact CG-CE2 3.52Å; R1120-F1136 HydrophobicContact CG-CZ 4.21Å
1121K84.9Confident82.6Confident157 Ų15768.5 Ų68.568%0.68336%0.361SS*.Hα-helixtrans-62.7-44.7-179.9-68.5175.4-177176.10112.2D1117 K1118 L1119 S1124 S1125D1117-K1121 PolarHBondContact O-N 3.4Å; K1118-K1121 PolarHBondContact O-N 3.45Å; K1118-K1121 VanDerWaalsContact O-N 3.16Å; L1119-K1121 PolarHBondContact O-N 3.26Å; K1121-S1124 PolarHBondContact O-N 3.21Å; K1121-S1125 WeakPolarHBondContact O-CB 3.39Å; K1121-S1125 PolarHBondContact O-N 3.39Å
1122V86.6Confident82Confident49 Ų4968.9 Ų68.930%0.29736%0.364SS..Hα-helixtrans-64.9-43.9178.71720000110.6V1103 L1114 K1118 L1119 S1125 I1126V1103-V1122 HydrophobicContact CG1-CG1 3.82Å; V1103-V1122 HydrophobicContact CG2-CG1 4.09Å; L1114-V1122 HydrophobicContact CD1-CG2 4.45Å; L1114-V1122 HydrophobicContact CD2-CG2 4.21Å; K1118-V1122 WeakPolarHBondContact O-CB 3.2Å; K1118-V1122 VanDerWaalsContact O-CG2 3.31Å; K1118-V1122 WeakPolarHBondContact O-CG2 3.3Å; K1118-V1122 PolarHBondContact O-N 3.42Å; L1119-V1122 PolarHBondContact O-N 2.84Å; V1122-S1125 PolarHBondContact O-N 3.37Å; V1122-I1126 HydrophobicContact CG1-CD1 3.5Å; V1122-I1126 HydrophobicContact CG1-CG1 4.3Å; V1122-I1126 VanDerWaalsContact O-CG1 3.31Å; V1122-I1126 WeakPolarHBondContact O-CG1 3.42Å; V1122-I1126 PolarHBondContact O-N 3.19Å
1123C85.9Confident81.9Confident0 Ų071 Ų710%037%0.371CS..Hα-helixtrans-60.2-49.5175-174.10000111.5L1090 L1119 R1120 S1125 I1126 F1127 L1134 F1136L1090-C1123 HydrophobicContact CD1-CB 4.01Å; L1119-C1123 WeakPolarHBondContact O-CB 3.37Å; L1119-C1123 PolarHBondContact O-N 2.98Å; R1120-C1123 PolarHBondContact O-N 3.37Å; C1123-S1125 VanDerWaalsContact C-N 3.26Å; C1123-S1125 PolarHBondContact O-N 2.99Å; C1123-I1126 PolarHBondContact O-N 2.79Å; C1123-F1127 VanDerWaalsContact O-CD2 3.29Å; C1123-F1127 WeakPolarHBondContact O-CD2 3.32Å; C1123-F1127 PolarHBondContact O-N 3.13Å; C1123-L1134 HydrophobicContact CB-CD1 4.13Å; C1123-F1136 HydrophobicContact CB-CE1 4.27Å; C1123-F1136 HydrophobicContact CB-CZ 3.97Å
1124S84.6Confident81.9Confident24 Ų2464.1 Ų64.117%0.16835%0.345CS..Hα-helixtrans-55.2-41.5173.9-79.90000112.7R1120 K1121 G1128 I1129R1120-S1124 WeakPolarHBondContact O-CB 3.45Å; R1120-S1124 PolarHBondContact O-N 3.39Å; R1120-S1124 PolarHBondContact O-OG 2.99Å; K1121-S1124 PolarHBondContact O-N 3.21Å; S1124-G1128 CarbonylContact O-C 3.5Å; S1124-G1128 WeakPolarHBondContact O-CA 3.35Å; S1124-G1128 PolarHBondContact O-N 2.97Å; S1124-I1129 WeakPolarHBondContact CB-O 3.34Å; S1124-I1129 PolarHBondContact O-N 3.07Å; S1124-I1129 PolarHBondContact OG-O 3.01Å
1125S84.8Confident81.8Confident97 Ų9766.2 Ų66.268%0.67835%0.351SS*.Hα-helixtrans-68.9-43.7179.1-171.60000113.1K1121 V1122 C1123K1121-S1125 WeakPolarHBondContact O-CB 3.39Å; K1121-S1125 PolarHBondContact O-N 3.39Å; V1122-S1125 PolarHBondContact O-N 3.37Å; C1123-S1125 VanDerWaalsContact C-N 3.26Å; C1123-S1125 PolarHBondContact O-N 2.99Å
1126I84.3Confident81.9Confident33 Ų3362.9 Ų62.917%0.16933%0.333CS..Hα-helixtrans-68.5-45.7-177.3-70.5164.7000110.5V1103 V1122 C1123 P1205V1103-I1126 HydrophobicContact CG2-CD1 3.68Å; V1122-I1126 HydrophobicContact CG1-CD1 3.5Å; V1122-I1126 HydrophobicContact CG1-CG1 4.3Å; V1122-I1126 VanDerWaalsContact O-CG1 3.31Å; V1122-I1126 WeakPolarHBondContact O-CG1 3.42Å; V1122-I1126 PolarHBondContact O-N 3.19Å; C1123-I1126 PolarHBondContact O-N 2.79Å; I1126-P1205 HydrophobicContact CG2-CB 4.24Å; I1126-P1205 HydrophobicContact CG2-CG 4.45Å; I1126-P1205 WeakPolarHBondContact O-CD 3.13Å
1127F84.7Confident81.8Confident14 Ų1462.9 Ų62.96%0.06133%0.333CS..Hα-helixtrans-92.1-1-174.9-62.2-81.7000113.3L1090 V1092 Q1099 C1123 I1129 P1205L1090-F1127 HydrophobicContact CB-CE2 3.98Å; L1090-F1127 HydrophobicContact CB-CZ 3.97Å; L1090-F1127 HydrophobicContact CD1-CE2 4Å; V1092-F1127 HydrophobicContact CB-CD1 4.29Å; V1092-F1127 HydrophobicContact CB-CD2 4.48Å; V1092-F1127 HydrophobicContact CB-CE1 4.44Å; V1092-F1127 HydrophobicContact CB-CG 4.3Å; V1092-F1127 HydrophobicContact CG2-CD1 3.99Å; V1092-F1127 HydrophobicContact CG2-CD2 3.56Å; V1092-F1127 HydrophobicContact CG2-CE1 3.88Å; V1092-F1127 HydrophobicContact CG2-CE2 3.46Å; V1092-F1127 VanDerWaalsContact CG2-CE2 3.46Å; V1092-F1127 HydrophobicContact CG2-CG 3.83Å; V1092-F1127 HydrophobicContact CG2-CZ 3.61Å; Q1099-F1127 HydrophobicContact CB-CD1 3.58Å; Q1099-F1127 HydrophobicContact CB-CE1 3.82Å; Q1099-F1127 PolarHBondContact OE1-O 2.73Å; C1123-F1127 VanDerWaalsContact O-CD2 3.29Å; C1123-F1127 WeakPolarHBondContact O-CD2 3.32Å; C1123-F1127 PolarHBondContact O-N 3.13Å; F1127-I1129 HydrophobicContact CB-CD1 3.75Å; F1127-I1129 HydrophobicContact CB-CG1 3.94Å; F1127-P1205 HydrophobicContact CD1-CB 3.82Å; F1127-P1205 HydrophobicContact CD1-CG 4.24Å; F1127-P1205 HydrophobicContact CE1-CB 3.57Å; F1127-P1205 HydrophobicContact CE1-CG 4.46Å; F1127-P1205 HydrophobicContact CZ-CB 4.36Å
1128G78.8Confident81.8Confident58 Ų5858.6 Ų58.660%0.59831%0.311SS*.THydrogen-bonded Turntrans673417800000113.9S1124S1124-G1128 CarbonylContact O-C 3.5Å; S1124-G1128 WeakPolarHBondContact O-CA 3.35Å; S1124-G1128 PolarHBondContact O-N 2.97Å
1129I79.9Confident81Confident24 Ų2459.1 Ų59.112%0.12332%0.318CS..  trans-103.594.5-174.7-53.6172.3000108.9V1092 V1094 S1124 F1127 T1132 L1134V1092-I1129 HydrophobicContact CG1-CD1 3.39Å; V1094-I1129 HydrophobicContact CB-CD1 4.25Å; V1094-I1129 HydrophobicContact CG1-CG2 4.27Å; V1094-I1129 HydrophobicContact CG2-CD1 4.1Å; S1124-I1129 WeakPolarHBondContact CB-O 3.34Å; S1124-I1129 PolarHBondContact O-N 3.07Å; S1124-I1129 PolarHBondContact OG-O 3.01Å; F1127-I1129 HydrophobicContact CB-CD1 3.75Å; F1127-I1129 HydrophobicContact CB-CG1 3.94Å; I1129-T1132 WeakPolarHBondContact CG2-OG1 3.27Å; I1129-L1134 HydrophobicContact CG2-CD2 4.37Å
1130N69.8Low80.2Confident137 Ų13766 Ų6673%0.73335%0.35SS*.  trans-91133.8-179-68.1-17.4000111.1
1131N62Low79.9Confident176 Ų17666.3 Ų66.394%0.94136%0.364SS*.SBendtrans67.323.1173.5-72.5-4.7000118.4
1132T69.8Low79.9Confident43 Ų4362.5 Ų62.526%0.26435%0.349SS..  trans-105.3132.6175.9-42.30000111.4V1094 I1129 L1134V1094-T1132 HydrophobicContact CG1-CG2 4.11Å; I1129-T1132 WeakPolarHBondContact CG2-OG1 3.27Å; T1132-L1134 PolarHBondContact O-N 3.43Å
1133Q78.6Confident79.8Confident147 Ų14760.6 Ų60.669%0.68734%0.337SS*.  trans-69.7102.2171.2-95.4-161.4-2.500109.8
1134L84.4Confident79.5Confident4 Ų464.6 Ų64.62%0.02136%0.361CS..  trans-84131.4178.3-60177.2000111V1094 R1120 C1123 I1129 T1132 F1136 V1159V1094-L1134 HydrophobicContact CG2-CD2 3.99Å; R1120-L1134 PolarHBondContact NE-O 2.76Å; C1123-L1134 HydrophobicContact CB-CD1 4.13Å; I1129-L1134 HydrophobicContact CG2-CD2 4.37Å; T1132-L1134 PolarHBondContact O-N 3.43Å; L1134-F1136 HydrophobicContact CB-CE2 4.03Å; L1134-F1136 HydrophobicContact CB-CZ 4.42Å; L1134-V1159 HydrophobicContact CB-CG1 3.96Å; L1134-V1159 HydrophobicContact CD1-CG1 4.38Å; L1134-V1159 HydrophobicContact CD2-CG1 4.03Å; L1134-V1159 HydrophobicContact CG-CG1 4.34Å
1135R85.3Confident79Confident77 Ų7768.5 Ų68.529%0.29139%0.389SS..EExtended strand (participates in β ladder)trans-112.5139.1170.8-62-177.1-177.8-149.36.4109.5F1137 E1142 V1159 T1160R1135-F1137 HydrophobicContact CB-CD2 4.46Å; R1135-F1137 HydrophobicContact CB-CE2 3.6Å; R1135-F1137 HydrophobicContact CB-CZ 4.1Å; R1135-E1142 HydrophobicContact CB-CG 4.5Å; R1135-E1142 VanDerWaalsContact CD-OE1 3.29Å; R1135-E1142 WeakPolarHBondContact CD-OE1 3.41Å; R1135-E1142 VanDerWaalsContact CG-OE1 3.29Å; R1135-E1142 WeakPolarHBondContact CG-OE1 3.4Å; R1135-E1142 IonicContact NE-OE1 3.55Å; R1135-E1142 IonicContact NH1-OE1 2.74Å; R1135-E1142 IonicContact NH1-OE2 3.12Å; R1135-E1142 PolarHBondContact NH1-OE2 2.97Å; R1135-E1142 VanDerWaalsContact NH1-OE2 3.15Å; R1135-V1159 WeakPolarHBondContact O-CA 3.36Å; R1135-T1160 PolarHBondContact N-O 2.88Å; R1135-T1160 PolarHBondContact O-N 3.49Å; R1135-T1160 VanDerWaalsContact O-N 3.14Å
1136F87.9Confident78.5Confident1 Ų169 Ų690%0.00439%0.392CS..EExtended strand (participates in β ladder)trans-112.5133.1-176.2-64.1-102.1000108.8L1090 L1119 R1120 C1123 L1134 E1142 L1143 L1157 L1158 V1159L1090-F1136 HydrophobicContact CD1-CE1 4.27Å; L1090-F1136 HydrophobicContact CD2-CD1 4.21Å; L1090-F1136 HydrophobicContact CD2-CE1 4.17Å; L1119-F1136 HydrophobicContact CD1-CE1 4.3Å; L1119-F1136 HydrophobicContact CD2-CD1 3.85Å; L1119-F1136 HydrophobicContact CD2-CE1 3.78Å; L1119-F1136 HydrophobicContact CD2-CG 4.4Å; L1119-F1136 HydrophobicContact CD2-CZ 4.28Å; L1119-F1136 HydrophobicContact CG-CD1 4.31Å; L1119-F1136 HydrophobicContact CG-CE1 3.7Å; L1119-F1136 HydrophobicContact CG-CZ 3.91Å; R1120-F1136 HydrophobicContact CB-CE2 4.49Å; R1120-F1136 HydrophobicContact CG-CD2 4.46Å; R1120-F1136 HydrophobicContact CG-CE2 3.52Å; R1120-F1136 HydrophobicContact CG-CZ 4.21Å; C1123-F1136 HydrophobicContact CB-CE1 4.27Å; C1123-F1136 HydrophobicContact CB-CZ 3.97Å; L1134-F1136 HydrophobicContact CB-CE2 4.03Å; L1134-F1136 HydrophobicContact CB-CZ 4.42Å; F1136-E1142 CarbonylContact O-C 3.57Å; F1136-E1142 WeakPolarHBondContact O-CA 3.38Å; F1136-L1143 HydrophobicContact CB-CB 4.37Å; F1136-L1143 HydrophobicContact CB-CD1 4.04Å; F1136-L1143 WeakPolarHBondContact O-CD1 2.96Å; F1136-L1143 PolarHBondContact O-N 2.78Å; F1136-L1157 HydrophobicContact CD1-CD1 4.35Å; F1136-L1158 CarbonylContact C-O 3.59Å; F1136-L1158 WeakPolarHBondContact CA-O 3.46Å; F1136-V1159 HydrophobicContact CD1-CG1 4.4Å; F1136-V1159 HydrophobicContact CD1-CG2 3.55Å; F1136-V1159 HydrophobicContact CE1-CG1 4.14Å; F1136-V1159 HydrophobicContact CE1-CG2 3.59Å; F1136-V1159 HydrophobicContact CG-CG2 4.39Å; F1136-V1159 HydrophobicContact CZ-CG1 4.21Å; F1136-V1159 HydrophobicContact CZ-CG2 4.45Å
1137F83.1Confident78.2Confident7 Ų768.5 Ų68.53%0.03139%0.393CS..EExtended strand (participates in β ladder)trans-125.6136.3-178.7-61.6-98.2000110.8R1135 S1141 E1142 L1157 L1158 T1160 P1165R1135-F1137 HydrophobicContact CB-CD2 4.46Å; R1135-F1137 HydrophobicContact CB-CE2 3.6Å; R1135-F1137 HydrophobicContact CB-CZ 4.1Å; F1137-S1141 CarbonylContact C-O 3.59Å; F1137-S1141 VanDerWaalsContact CA-O 3.26Å; F1137-S1141 WeakPolarHBondContact CA-O 3.3Å; F1137-E1142 HydrophobicContact CD1-CB 3.93Å; F1137-E1142 HydrophobicContact CE1-CB 3.67Å; F1137-E1142 HydrophobicContact CE1-CG 4.11Å; F1137-E1142 HydrophobicContact CZ-CB 4.27Å; F1137-E1142 HydrophobicContact CZ-CG 4.21Å; F1137-L1157 WeakPolarHBondContact O-CA 3.4Å; F1137-L1158 HydrophobicContact CB-CB 4.33Å; F1137-L1158 PolarHBondContact N-O 2.74Å; F1137-L1158 PolarHBondContact O-N 3.21Å; F1137-T1160 HydrophobicContact CD2-CG2 4.06Å; F1137-T1160 HydrophobicContact CE2-CG2 3.52Å; F1137-T1160 HydrophobicContact CZ-CG2 4.46Å; F1137-P1165 HydrophobicContact CB-CB 4.22Å; F1137-P1165 HydrophobicContact CD1-CB 4.01Å; F1137-P1165 HydrophobicContact CD1-CG 4.38Å; F1137-P1165 HydrophobicContact CD2-CB 4.46Å; F1137-P1165 HydrophobicContact CG-CB 3.99Å
1138S82.5Confident78.2Confident9 Ų972.9 Ų72.96%0.06342%0.417CS..EExtended strand (participates in β ladder)trans-116.4124.1166.3-1750000107.7Q1140 S1141S1138-Q1140 PolarHBondContact O-N 2.89Å; S1138-Q1140 VanDerWaalsContact O-N 3.08Å; S1138-S1141 PolarHBondContact N-O 2.81Å; S1138-S1141 PolarHBondContact O-N 3.37Å
1139D70.2Confident78.5Confident107 Ų10770.4 Ų70.457%0.57239%0.39SS*.THydrogen-bonded Turntrans47.143.8176.2-52.8-42.4000113.7S1141D1139-S1141 VanDerWaalsContact C-N 3.3Å; D1139-S1141 PolarHBondContact O-N 2.95Å
1140Q70.6Confident78.7Confident146 Ų14671.5 Ų71.568%0.68240%0.395SS*.THydrogen-bonded Turntrans74.2-2.6-177.1-49-175.4-6.600117.3S1138 P1165S1138-Q1140 PolarHBondContact O-N 2.89Å; S1138-Q1140 VanDerWaalsContact O-N 3.08Å; Q1140-P1165 HydrophobicContact CB-CG 4.21Å; Q1140-P1165 HydrophobicContact CG-CG 4.39Å
1141S79.6Confident79.4Confident83 Ų8368.2 Ų68.258%0.5839%0.387SS*.EExtended strand (participates in β ladder)trans-94.7128.8175.5-60.10000111.6F1137 S1138 D1139F1137-S1141 CarbonylContact C-O 3.59Å; F1137-S1141 VanDerWaalsContact CA-O 3.26Å; F1137-S1141 WeakPolarHBondContact CA-O 3.3Å; S1138-S1141 PolarHBondContact N-O 2.81Å; S1138-S1141 PolarHBondContact O-N 3.37Å; D1139-S1141 VanDerWaalsContact C-N 3.3Å; D1139-S1141 PolarHBondContact O-N 2.95Å
1142E85.2Confident80.5Confident76 Ų7662.6 Ų62.636%0.35535%0.352SS..EExtended strand (participates in β ladder)trans-71132.1175.2-168173.816900110.3R1135 F1136 F1137R1135-E1142 HydrophobicContact CB-CG 4.5Å; R1135-E1142 VanDerWaalsContact CD-OE1 3.29Å; R1135-E1142 WeakPolarHBondContact CD-OE1 3.41Å; R1135-E1142 VanDerWaalsContact CG-OE1 3.29Å; R1135-E1142 WeakPolarHBondContact CG-OE1 3.4Å; R1135-E1142 IonicContact NE-OE1 3.55Å; R1135-E1142 IonicContact NH1-OE1 2.74Å; R1135-E1142 IonicContact NH1-OE2 3.12Å; R1135-E1142 PolarHBondContact NH1-OE2 2.97Å; R1135-E1142 VanDerWaalsContact NH1-OE2 3.15Å; F1136-E1142 CarbonylContact O-C 3.57Å; F1136-E1142 WeakPolarHBondContact O-CA 3.38Å; F1137-E1142 HydrophobicContact CD1-CB 3.93Å; F1137-E1142 HydrophobicContact CE1-CB 3.67Å; F1137-E1142 HydrophobicContact CE1-CG 4.11Å; F1137-E1142 HydrophobicContact CZ-CB 4.27Å; F1137-E1142 HydrophobicContact CZ-CG 4.21Å
1143L85.1Confident81.3Confident9 Ų963 Ų635%0.04736%0.357CS..PPolyproline II helixtrans-71.8129175.3-78.381.2000110.1L1116 F1136 A1147 L1149 Y1152 L1157L1116-L1143 HydrophobicContact CD1-CB 3.63Å; L1116-L1143 HydrophobicContact CD1-CD2 4.14Å; F1136-L1143 HydrophobicContact CB-CB 4.37Å; F1136-L1143 HydrophobicContact CB-CD1 4.04Å; F1136-L1143 WeakPolarHBondContact O-CD1 2.96Å; F1136-L1143 PolarHBondContact O-N 2.78Å; L1143-A1147 HydrophobicContact CB-CB 4.39Å; L1143-A1147 HydrophobicContact CD2-CB 4.36Å; L1143-L1149 HydrophobicContact CD2-CD2 3.75Å; L1143-Y1152 HydrophobicContact CD2-CD2 4.21Å; L1143-Y1152 HydrophobicContact CD2-CE2 4.02Å; L1143-L1157 HydrophobicContact CD1-CD1 4.32Å; L1143-L1157 HydrophobicContact CD1-CD2 4.08Å; L1143-L1157 HydrophobicContact CD2-CD1 4.01Å
1144T79.3Confident81.5Confident84 Ų8456.7 Ų56.752%0.51533%0.332SS..PPolyproline II helixtrans-87163174.861.20000111.3S1146 A1147T1144-S1146 PolarHBondContact O-N 2.98Å; T1144-S1146 VanDerWaalsContact O-N 3.09Å; T1144-S1146 PolarHBondContact OG1-OG 2.92Å; T1144-A1147 VanDerWaalsContact O-CB 3.25Å; T1144-A1147 WeakPolarHBondContact O-CB 3.42Å; T1144-A1147 PolarHBondContact O-N 3.18Å
1145S73.6Confident81.6Confident107 Ų10760.4 Ų60.475%0.74835%0.348SS*.THydrogen-bonded Turntrans-61.5-17179.449.90000114.4
1146S73.8Confident81.6Confident106 Ų10657.9 Ų57.974%0.74134%0.341SS*.THydrogen-bonded Turntrans-93.93.5176.364.80000113.9T1144 D1148T1144-S1146 PolarHBondContact O-N 2.98Å; T1144-S1146 VanDerWaalsContact O-N 3.09Å; T1144-S1146 PolarHBondContact OG1-OG 2.92Å; S1146-D1148 PolarHBondContact O-N 2.82Å
1147A78.5Confident81.6Confident23 Ų2357.9 Ų57.919%0.1934%0.341CS..  trans-69.3129-178.400000111.1L1143 T1144 L1149 Y1152L1143-A1147 HydrophobicContact CB-CB 4.39Å; L1143-A1147 HydrophobicContact CD2-CB 4.36Å; T1144-A1147 VanDerWaalsContact O-CB 3.25Å; T1144-A1147 WeakPolarHBondContact O-CB 3.42Å; T1144-A1147 PolarHBondContact O-N 3.18Å; A1147-L1149 PolarHBondContact O-N 3.46Å; A1147-L1149 VanDerWaalsContact O-N 3.16Å; A1147-Y1152 HydrophobicContact CB-CE2 4.43Å
1148D83.5Confident81.7Confident107 Ų10758 Ų5857%0.57234%0.342SS*.  trans-74.3102.8169.4-178.89.8000109.2S1146 Q1150 A1151 Y1152S1146-D1148 PolarHBondContact O-N 2.82Å; D1148-Q1150 PolarHBondContact O-N 2.7Å; D1148-Q1150 WeakPolarHBondContact OD1-CB 3.5Å; D1148-Q1150 PolarHBondContact OD1-N 3.14Å; D1148-Q1150 VanDerWaalsContact OD1-N 3.1Å; D1148-A1151 WeakPolarHBondContact O-CB 3.35Å; D1148-A1151 PolarHBondContact O-N 2.67Å; D1148-Y1152 WeakPolarHBondContact O-CD2 3.46Å
1149L85.3Confident81.9Confident5 Ų557.5 Ų57.53%0.02634%0.339CS..G310 helixtrans-59.7-27.9-179-70-177.7000112.4L1105 L1114 D1115 L1116 L1119 L1143 A1147 A1151 Y1152L1105-L1149 HydrophobicContact CD1-CB 4.48Å; L1105-L1149 WeakPolarHBondContact CD1-O 3.48Å; L1105-L1149 HydrophobicContact CD2-CB 3.97Å; L1105-L1149 HydrophobicContact CD2-CD1 4.38Å; L1114-L1149 HydrophobicContact CB-CD1 4.24Å; D1115-L1149 VanDerWaalsContact C-CD1 3.47Å; L1116-L1149 HydrophobicContact CD1-CD2 4.23Å; L1119-L1149 HydrophobicContact CB-CD1 3.93Å; L1119-L1149 HydrophobicContact CD2-CD1 3.88Å; L1119-L1149 HydrophobicContact CD2-CD2 3.83Å; L1119-L1149 HydrophobicContact CG-CD1 4.47Å; L1143-L1149 HydrophobicContact CD2-CD2 3.75Å; A1147-L1149 PolarHBondContact O-N 3.46Å; A1147-L1149 VanDerWaalsContact O-N 3.16Å; L1149-A1151 PolarHBondContact O-N 2.89Å; L1149-Y1152 PolarHBondContact O-N 3.18Å
1150Q84.9Confident82.6Confident48 Ų4853.2 Ų53.222%0.22432%0.316CS..G310 helixtrans-63.3-31.4179.8-68.1-68.2-16.200112.5D1148 Y1152 S1153D1148-Q1150 PolarHBondContact O-N 2.7Å; D1148-Q1150 WeakPolarHBondContact OD1-CB 3.5Å; D1148-Q1150 PolarHBondContact OD1-N 3.14Å; D1148-Q1150 VanDerWaalsContact OD1-N 3.1Å; Q1150-Y1152 PolarHBondContact O-N 2.86Å; Q1150-Y1152 VanDerWaalsContact O-N 3.14Å; Q1150-S1153 WeakPolarHBondContact O-CB 3.32Å; Q1150-S1153 PolarHBondContact O-N 3.33Å; Q1150-S1153 VanDerWaalsContact O-N 3.07Å
1151A84.1Confident83.1Confident68 Ų6848.8 Ų48.856%0.56230%0.301SS*.G310 helixtrans-65.7-13.9175.900000113.6D1148 L1149D1148-A1151 WeakPolarHBondContact O-CB 3.35Å; D1148-A1151 PolarHBondContact O-N 2.67Å; L1149-A1151 PolarHBondContact O-N 2.89Å
1152Y84.8Confident82.7Confident57 Ų5745.8 Ų45.822%0.22428%0.284CS..G310 helixtrans-99.45.1176.7-60.6-88.8000112.9I1088 L1143 A1147 D1148 L1149 Q1150 G1154 K1155 L1157I1088-Y1152 VanDerWaalsContact CG2-O 3.24Å; I1088-Y1152 WeakPolarHBondContact CG2-O 3.44Å; L1143-Y1152 HydrophobicContact CD2-CD2 4.21Å; L1143-Y1152 HydrophobicContact CD2-CE2 4.02Å; A1147-Y1152 HydrophobicContact CB-CE2 4.43Å; D1148-Y1152 WeakPolarHBondContact O-CD2 3.46Å; L1149-Y1152 PolarHBondContact O-N 3.18Å; Q1150-Y1152 PolarHBondContact O-N 2.86Å; Q1150-Y1152 VanDerWaalsContact O-N 3.14Å; Y1152-G1154 PolarHBondContact O-N 3.48Å; Y1152-K1155 HydrophobicContact CD1-CD 4.17Å; Y1152-K1155 VanDerWaalsContact O-CB 3.24Å; Y1152-K1155 WeakPolarHBondContact O-CB 3.14Å; Y1152-K1155 WeakPolarHBondContact O-CG 3.44Å; Y1152-K1155 PolarHBondContact O-N 2.84Å; Y1152-L1157 HydrophobicContact CD1-CD2 4.12Å
1153S87.8Confident81.9Confident52 Ų5247 Ų4736%0.36430%0.298SS..THydrogen-bonded Turntrans-54.4132.9179.1-175.60000111.9A1086 Y1087 Q1150 K1155A1086-S1153 WeakPolarHBondContact CA-OG 3.39Å; A1086-S1153 WeakPolarHBondContact CB-OG 3.48Å; Y1087-S1153 PolarHBondContact N-OG 2.8Å; Y1087-S1153 CarbonylContact O-C 3.53Å; Y1087-S1153 VanDerWaalsContact O-CA 3.23Å; Y1087-S1153 WeakPolarHBondContact O-CA 3.48Å; Q1150-S1153 WeakPolarHBondContact O-CB 3.32Å; Q1150-S1153 PolarHBondContact O-N 3.33Å; Q1150-S1153 VanDerWaalsContact O-N 3.07Å; S1153-K1155 VanDerWaalsContact C-N 3.27Å; S1153-K1155 PolarHBondContact O-N 2.89Å
1154G82.9Confident81.1Confident15 Ų1550.3 Ų50.316%0.15532%0.322CS..THydrogen-bonded Turntrans83.3-10.4-175.400000115Y1087 Y1152Y1087-G1154 PolarHBondContact O-N 3.49Å; Y1152-G1154 PolarHBondContact O-N 3.48Å
1155K86Confident80.7Confident82 Ų8248.3 Ų48.336%0.35731%0.311SS..PPolyproline II helixtrans-88.5161-179-58.3-171.2177-174.40112.6N1089 Y1152 S1153N1089-K1155 PolarHBondContact N-O 3.22Å; Y1152-K1155 HydrophobicContact CD1-CD 4.17Å; Y1152-K1155 VanDerWaalsContact O-CB 3.24Å; Y1152-K1155 WeakPolarHBondContact O-CB 3.14Å; Y1152-K1155 WeakPolarHBondContact O-CG 3.44Å; Y1152-K1155 PolarHBondContact O-N 2.84Å; S1153-K1155 VanDerWaalsContact C-N 3.27Å; S1153-K1155 PolarHBondContact O-N 2.89Å
1156T85.7Confident80.2Confident24 Ų2444.8 Ų44.815%0.14729%0.285CS..EExtended strand (participates in β ladder)trans-98.4120.7172.1-56.60000110.9N1089N1089-T1156 HydrophobicContact CB-CG2 4.02Å; N1089-T1156 WeakPolarHBondContact CB-OG1 3.41Å; N1089-T1156 PolarHBondContact ND2-OG1 2.85Å; N1089-T1156 CarbonylContact O-C 3.54Å; N1089-T1156 WeakPolarHBondContact O-CA 3.4Å
1157L87.4Confident79.8Confident0 Ų042.1 Ų42.10%027%0.274CS..EExtended strand (participates in β ladder)trans-97.9137.2171.8-55.2-174.4000110.7I1088 N1089 L1090 R1091 F1136 F1137 L1143 Y1152I1088-L1157 HydrophobicContact CD1-CD1 3.68Å; I1088-L1157 HydrophobicContact CD1-CG 4.37Å; N1089-L1157 PolarHBondContact O-N 3.49Å; L1090-L1157 HydrophobicContact CD2-CB 3.8Å; L1090-L1157 HydrophobicContact CD2-CD1 4.41Å; L1090-L1157 HydrophobicContact CD2-CG 4.45Å; R1091-L1157 PolarHBondContact N-O 3.28Å; F1136-L1157 HydrophobicContact CD1-CD1 4.35Å; F1137-L1157 WeakPolarHBondContact O-CA 3.4Å; L1143-L1157 HydrophobicContact CD1-CD1 4.32Å; L1143-L1157 HydrophobicContact CD1-CD2 4.08Å; L1143-L1157 HydrophobicContact CD2-CD1 4.01Å; Y1152-L1157 HydrophobicContact CD1-CD2 4.12Å
1158L85.4Confident78.9Confident9 Ų945.4 Ų45.45%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-88.7130.3172.1-61.2174.7000109.3R1091 F1136 F1137 P1166 V1169R1091-L1158 HydrophobicContact CB-CD2 4.11Å; R1091-L1158 HydrophobicContact CG-CD2 4.46Å; F1136-L1158 CarbonylContact C-O 3.59Å; F1136-L1158 WeakPolarHBondContact CA-O 3.46Å; F1137-L1158 HydrophobicContact CB-CB 4.33Å; F1137-L1158 PolarHBondContact N-O 2.74Å; F1137-L1158 PolarHBondContact O-N 3.21Å; L1158-P1166 HydrophobicContact CB-CG 3.95Å; L1158-P1166 HydrophobicContact CD1-CG 4.3Å; L1158-P1166 HydrophobicContact CD2-CG 4.41Å; L1158-P1166 HydrophobicContact CG-CG 4.46Å; L1158-V1169 HydrophobicContact CD1-CG2 4.03Å
1159V86.9Confident77.7Confident0 Ų043.2 Ų43.20%029%0.292CS..EExtended strand (participates in β ladder)trans-119.2129-179.7-168.40000109.8L1090 R1091 V1092 K1093 L1134 R1135 F1136L1090-V1159 HydrophobicContact CB-CG2 4.43Å; L1090-V1159 HydrophobicContact CD2-CG2 3.9Å; R1091-V1159 PolarHBondContact O-N 3.26Å; V1092-V1159 HydrophobicContact CB-CB 4.3Å; V1092-V1159 HydrophobicContact CG1-CB 4.16Å; V1092-V1159 HydrophobicContact CG1-CG1 4.29Å; V1092-V1159 HydrophobicContact CG2-CB 3.96Å; V1092-V1159 HydrophobicContact CG2-CG2 4.1Å; K1093-V1159 PolarHBondContact N-O 3.48Å; L1134-V1159 HydrophobicContact CB-CG1 3.96Å; L1134-V1159 HydrophobicContact CD1-CG1 4.38Å; L1134-V1159 HydrophobicContact CD2-CG1 4.03Å; L1134-V1159 HydrophobicContact CG-CG1 4.34Å; R1135-V1159 WeakPolarHBondContact O-CA 3.36Å; F1136-V1159 HydrophobicContact CD1-CG1 4.4Å; F1136-V1159 HydrophobicContact CD1-CG2 3.55Å; F1136-V1159 HydrophobicContact CE1-CG1 4.14Å; F1136-V1159 HydrophobicContact CE1-CG2 3.59Å; F1136-V1159 HydrophobicContact CG-CG2 4.39Å; F1136-V1159 HydrophobicContact CZ-CG1 4.21Å; F1136-V1159 HydrophobicContact CZ-CG2 4.45Å
1160T84.9Confident76.3Confident16 Ų1646.8 Ų46.810%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-145.1162.7179.1179.20000110.7R1135 F1137 G1162R1135-T1160 PolarHBondContact N-O 2.88Å; R1135-T1160 PolarHBondContact O-N 3.49Å; R1135-T1160 VanDerWaalsContact O-N 3.14Å; F1137-T1160 HydrophobicContact CD2-CG2 4.06Å; F1137-T1160 HydrophobicContact CE2-CG2 3.52Å; F1137-T1160 HydrophobicContact CZ-CG2 4.46Å; T1160-G1162 WeakPolarHBondContact CG2-O 3.18Å; T1160-G1162 PolarHBondContact OG1-N 2.54Å; T1160-G1162 VanDerWaalsContact OG1-N 3.15Å
1161S79.4Confident74.8Confident53 Ų5351.8 Ų51.837%0.37135%0.349SS..SBendtrans-91-11.2170.357.90000113.4
1162G72.7Confident73.3Confident21 Ų2150.8 Ų50.822%0.21634%0.341CS..SBendtrans-91.1165.7179.100000114.1T1160 S1164T1160-G1162 WeakPolarHBondContact CG2-O 3.18Å; T1160-G1162 PolarHBondContact OG1-N 2.54Å; T1160-G1162 VanDerWaalsContact OG1-N 3.15Å; G1162-S1164 VanDerWaalsContact C-N 3.26Å; G1162-S1164 PolarHBondContact O-N 3.34Å
1163P67.6Low72.3Confident102 Ų10253.6 Ų53.666%0.66236%0.36SS*.SBendtrans-76.5-3.4-177.431.2-35.5000114.8
1164S69.1Low71.7Confident78 Ų7855.6 Ų55.655%0.54537%0.37SS..SBendtrans-128.7144.7-175.842.40000112.1G1162G1162-S1164 VanDerWaalsContact C-N 3.26Å; G1162-S1164 PolarHBondContact O-N 3.34Å
1165P70.7Confident71.8Confident42 Ų4256.1 Ų56.127%0.27337%0.369SS..  trans-66.9142.3-176.226-33.8000111.9F1137 Q1140 G1167F1137-P1165 HydrophobicContact CB-CB 4.22Å; F1137-P1165 HydrophobicContact CD1-CB 4.01Å; F1137-P1165 HydrophobicContact CD1-CG 4.38Å; F1137-P1165 HydrophobicContact CD2-CB 4.46Å; F1137-P1165 HydrophobicContact CG-CB 3.99Å; Q1140-P1165 HydrophobicContact CB-CG 4.21Å; Q1140-P1165 HydrophobicContact CG-CG 4.39Å; P1165-G1167 PolarHBondContact O-N 3.1Å
1166P63.1Low71.9Confident32 Ų3254.8 Ų54.821%0.20837%0.366CS..  trans-78.677.6-179.332-34.5000112K1093 L1158K1093-P1166 HydrophobicContact CB-CB 4.23Å; K1093-P1166 HydrophobicContact CB-CG 4.4Å; K1093-P1166 HydrophobicContact CD-CB 3.8Å; L1158-P1166 HydrophobicContact CB-CG 3.95Å; L1158-P1166 HydrophobicContact CD1-CG 4.3Å; L1158-P1166 HydrophobicContact CD2-CG 4.41Å; L1158-P1166 HydrophobicContact CG-CG 4.46Å
1167G65.7Low72Confident50 Ų5053.7 Ų53.752%0.51536%0.359SS..SBendtrans70.8-17616800000116.6P1165P1165-G1167 PolarHBondContact O-N 3.1Å
1168A59Low72.1Confident92 Ų9255.5 Ų55.576%0.7637%0.371SS*.PPolyproline II helixtrans-74.1141.7-17200000113.6
1169V58Low72.4Confident61 Ų6155.9 Ų55.937%0.3737%0.372SS..PPolyproline II helixtrans-79.6126.2-179-176.30000110.6L1158L1158-V1169 HydrophobicContact CD1-CG2 4.03Å
1170P55.5Low72.7Confident80 Ų8055.9 Ų55.952%0.51937%0.372SS..PPolyproline II helixtrans-86.8159.7169.9-7.726.3000113.9A1172P1170-A1172 PolarHBondContact O-N 3.17Å; P1170-A1172 VanDerWaalsContact O-N 3.13Å
1171T53.2Low73Confident153 Ų15355.1 Ų55.194%0.93937%0.367SS*.SBendtrans-75.322.7-158.160000118.8
1172A53.4Low73.6Confident48 Ų4852.6 Ų52.640%0.39735%0.35SS..  trans-114.797.2-176.700000113.4P1170 T1174P1170-A1172 PolarHBondContact O-N 3.17Å; P1170-A1172 VanDerWaalsContact O-N 3.13Å; A1172-T1174 PolarHBondContact O-N 3.11Å
1173D64.4Low74.3Confident115 Ų11551.9 Ų51.962%0.61534%0.341SS*.  trans-81.329.9170.1-66.4-37.3000112.6
1174T75.3Confident75.1Confident95 Ų9547.5 Ų47.558%0.58331%0.312SS*.SBendtrans-105.3142.7177.357.50000110.5N1089 A1172 L1176N1089-T1174 PolarHBondContact ND2-O 3.44Å; A1172-T1174 PolarHBondContact O-N 3.11Å; T1174-L1176 PolarHBondContact O-N 3.04Å
1175L85.2Confident75.4Confident26 Ų2649.7 Ų49.714%0.13631%0.308CS..  trans-57.5124.3-178.5-161.8154000112.1P1083 Y1087 V1102 C1177 Y1179 L1201P1083-L1175 HydrophobicContact CB-CD1 3.99Å; P1083-L1175 HydrophobicContact CG-CD1 3.7Å; Y1087-L1175 HydrophobicContact CD1-CD1 3.71Å; Y1087-L1175 HydrophobicContact CD2-CB 4.19Å; Y1087-L1175 HydrophobicContact CD2-CD1 3.65Å; Y1087-L1175 HydrophobicContact CD2-CG 3.7Å; Y1087-L1175 HydrophobicContact CE1-CB 4.35Å; Y1087-L1175 HydrophobicContact CE1-CD1 3.85Å; Y1087-L1175 HydrophobicContact CE1-CG 4.45Å; Y1087-L1175 HydrophobicContact CE2-CB 3.51Å; Y1087-L1175 HydrophobicContact CE2-CD1 3.79Å; Y1087-L1175 HydrophobicContact CE2-CG 3.57Å; Y1087-L1175 HydrophobicContact CG-CD1 3.61Å; Y1087-L1175 HydrophobicContact CG-CG 4.2Å; Y1087-L1175 PolarHBondContact OH-N 3.35Å; V1102-L1175 HydrophobicContact CG1-CD1 4.32Å; V1102-L1175 HydrophobicContact CG1-CD2 4.3Å; V1102-L1175 HydrophobicContact CG1-CG 4.09Å; V1102-L1175 HydrophobicContact CG2-CD2 3.91Å; V1102-L1175 HydrophobicContact CG2-CG 4.1Å; L1175-C1177 HydrophobicContact CD2-CB 4.25Å; L1175-C1177 WeakPolarHBondContact CD2-O 3.19Å; L1175-Y1179 HydrophobicContact CD1-CD1 4.2Å; L1175-Y1179 HydrophobicContact CD2-CD1 3.98Å; L1175-L1201 HydrophobicContact CD2-CD2 4.11Å
1176L86.2Confident75.2Confident53 Ų5351.3 Ų51.328%0.27731%0.314SS..SBendtrans-76.1-23.6-170.6-68.3171.2000115.3N1089 E1100 V1102 T1174 V1206N1089-L1176 HydrophobicContact CB-CD1 3.66Å; N1089-L1176 HydrophobicContact CB-CG 4.11Å; N1089-L1176 PolarHBondContact OD1-N 3.29Å; N1089-L1176 VanDerWaalsContact OD1-N 3.12Å; E1100-L1176 HydrophobicContact CB-CD1 4.1Å; E1100-L1176 HydrophobicContact CG-CD1 4.48Å; V1102-L1176 HydrophobicContact CG2-CB 3.97Å; T1174-L1176 PolarHBondContact O-N 3.04Å; L1176-V1206 HydrophobicContact CB-CG2 3.94Å
1177C88.7Confident75.4Confident1 Ų151.1 Ų51.11%0.00732%0.315CS..SBendtrans-109.7139.2-174-72.20000112.5V1102 L1175 Y1179 L1201 V1203V1102-C1177 HydrophobicContact CB-CB 4.2Å; V1102-C1177 HydrophobicContact CG2-CB 3.74Å; L1175-C1177 HydrophobicContact CD2-CB 4.25Å; L1175-C1177 WeakPolarHBondContact CD2-O 3.19Å; C1177-Y1179 PolarHBondContact O-N 3.47Å; C1177-L1201 HydrophobicContact CB-CD2 4.2Å; C1177-V1203 WeakPolarHBondContact CB-O 3.21Å; C1177-V1203 PolarHBondContact SG-O 3.42Å
1178P89.8Confident75.3Confident38 Ų3854.7 Ų54.725%0.24733%0.327CS..  trans-59.3138.4172.6-24.233.8000112.2L1201 L1202 V1249 H1253P1178-L1201 CarbonylContact O-C 3.46Å; P1178-L1202 HydrophobicContact CB-CB 4.27Å; P1178-L1202 HydrophobicContact CB-CD1 4.22Å; P1178-L1202 WeakPolarHBondContact O-CB 3.1Å; P1178-L1202 PolarHBondContact O-N 2.83Å; P1178-V1249 HydrophobicContact CB-CG1 3.77Å; P1178-V1249 HydrophobicContact CG-CG1 4.05Å; P1178-H1253 VanDerWaalsContact CA-ND1 3.29Å; P1178-H1253 WeakPolarHBondContact CA-ND1 3.23Å; P1178-H1253 HydrophobicContact CB-CB 4.23Å
1179Y91.8Very high75.5Confident18 Ų1851.1 Ų51.17%0.07130%0.296CS..EExtended strand (participates in β ladder)trans-136.2164.2-179.272.7-84000112.8G1082 P1083 L1175 C1177 T1199 L1200 H1253 T1254G1082-Y1179 VanDerWaalsContact CA-OH 3.28Å; G1082-Y1179 WeakPolarHBondContact CA-OH 3.3Å; P1083-Y1179 HydrophobicContact CB-CD2 4.17Å; P1083-Y1179 HydrophobicContact CB-CE2 3.94Å; P1083-Y1179 WeakPolarHBondContact CD-OH 3.29Å; L1175-Y1179 HydrophobicContact CD1-CD1 4.2Å; L1175-Y1179 HydrophobicContact CD2-CD1 3.98Å; C1177-Y1179 PolarHBondContact O-N 3.47Å; Y1179-T1199 HydrophobicContact CD2-CG2 3.84Å; Y1179-T1199 HydrophobicContact CG-CG2 4.16Å; Y1179-L1200 CarbonylContact C-O 3.42Å; Y1179-L1200 WeakPolarHBondContact CA-O 3.49Å; Y1179-L1200 WeakPolarHBondContact CB-O 3.44Å; Y1179-H1253 PolarHBondContact N-ND1 3.36Å; Y1179-H1253 CarbonylContact O-C 3.59Å; Y1179-T1254 HydrophobicContact CE1-CG2 3.96Å; Y1179-T1254 PolarHBondContact O-N 2.98Å
1180V92.4Very high75.7Confident0 Ų050.6 Ų50.60%030%0.298CS..EExtended strand (participates in β ladder)trans-124149.9162.2-71.80000110.1L1182 L1200 L1202 L1216 L1252 K1255 L1257V1180-L1182 HydrophobicContact CG2-CD2 4.38Å; V1180-L1200 HydrophobicContact CG2-CB 3.96Å; V1180-L1200 PolarHBondContact N-O 3.33Å; V1180-L1200 PolarHBondContact O-N 3.44Å; V1180-L1202 HydrophobicContact CG1-CD1 4.16Å; V1180-L1202 HydrophobicContact CG1-CD2 4.09Å; V1180-L1202 HydrophobicContact CG1-CG 4.4Å; V1180-L1202 HydrophobicContact CG2-CD2 4.03Å; V1180-L1216 HydrophobicContact CG2-CD1 4.13Å; V1180-L1252 HydrophobicContact CG1-CB 3.86Å; V1180-L1252 WeakPolarHBondContact CG1-O 3.3Å; V1180-K1255 CarbonylContact C-O 3.48Å; V1180-K1255 VanDerWaalsContact CA-O 3.3Å; V1180-K1255 WeakPolarHBondContact CA-O 3.49Å; V1180-L1257 HydrophobicContact CB-CD1 4.3Å; V1180-L1257 HydrophobicContact CB-CG 4.43Å; V1180-L1257 HydrophobicContact CG1-CD1 4.2Å; V1180-L1257 HydrophobicContact CG1-CG 4.41Å; V1180-L1257 HydrophobicContact CG2-CD1 4.22Å
1181N92.4Very high75.5Confident0 Ų056.4 Ų56.40%032%0.318CS..EExtended strand (participates in β ladder)trans-90.6143.4165.6-67-40.2000109.3G1082 P1083 V1084 G1198 T1199 K1255 T1256 L1257G1082-N1181 PolarHBondContact O-ND2 3.24Å; P1083-N1181 WeakPolarHBondContact CA-OD1 3.5Å; V1084-N1181 HydrophobicContact CG2-CB 3.98Å; V1084-N1181 PolarHBondContact N-OD1 3.32Å; N1181-G1198 CarbonylContact C-O 3.57Å; N1181-G1198 WeakPolarHBondContact CA-O 3.49Å; N1181-T1199 PolarHBondContact OD1-OG1 3.2Å; N1181-K1255 PolarHBondContact N-O 3.42Å; N1181-T1256 HydrophobicContact CB-CG2 4.16Å; N1181-T1256 CarbonylContact O-C 3.51Å; N1181-T1256 WeakPolarHBondContact O-CA 3.35Å; N1181-L1257 PolarHBondContact O-N 3.11Å
1182L90.7Very high75.6Confident0 Ų055.1 Ų55.10%031%0.314CS..EExtended strand (participates in β ladder)trans-116.4136.5173.7-61.8-173.6000110.2V1180 A1197 G1198 L1200 A1220 L1223 F1224 L1233 L1257 V1259V1180-L1182 HydrophobicContact CG2-CD2 4.38Å; L1182-A1197 CarbonylContact O-C 3.6Å; L1182-A1197 VanDerWaalsContact O-CA 3.28Å; L1182-A1197 WeakPolarHBondContact O-CA 3.12Å; L1182-G1198 PolarHBondContact N-O 3Å; L1182-G1198 PolarHBondContact O-N 2.9Å; L1182-L1200 HydrophobicContact CD1-CD1 3.48Å; L1182-L1200 VanDerWaalsContact CD1-CD1 3.48Å; L1182-L1200 HydrophobicContact CD1-CG 3.83Å; L1182-L1200 HydrophobicContact CG-CD1 4.21Å; L1182-L1200 HydrophobicContact CG-CG 4.31Å; L1182-A1220 HydrophobicContact CD1-CB 3.5Å; L1182-L1223 HydrophobicContact CD1-CD1 4.48Å; L1182-F1224 HydrophobicContact CB-CE2 3.8Å; L1182-F1224 HydrophobicContact CB-CZ 3.99Å; L1182-F1224 HydrophobicContact CD1-CE2 4.12Å; L1182-L1233 HydrophobicContact CD2-CD2 4.41Å; L1182-L1257 WeakPolarHBondContact CA-O 3.49Å; L1182-L1257 HydrophobicContact CD2-CB 3.77Å; L1182-L1257 HydrophobicContact CD2-CD1 4.15Å; L1182-L1257 HydrophobicContact CD2-CG 4.39Å; L1182-V1259 HydrophobicContact CB-CG2 4.18Å; L1182-V1259 HydrophobicContact CD1-CG2 4.4Å; L1182-V1259 HydrophobicContact CD2-CG2 4.32Å
1183L88.1Confident76.1Confident6 Ų654.9 Ų54.93%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-123.5125.1173.4-63.4173.4000109.4Q1077 A1197 T1256 L1257 F1258 V1259Q1077-L1183 HydrophobicContact CB-CD1 4.12Å; L1183-A1197 HydrophobicContact CD2-CB 3.48Å; L1183-A1197 VanDerWaalsContact CD2-CB 3.48Å; L1183-T1256 HydrophobicContact CD1-CG2 3.41Å; L1183-T1256 VanDerWaalsContact CD1-CG2 3.41Å; L1183-T1256 HydrophobicContact CG-CG2 3.73Å; L1183-L1257 PolarHBondContact N-O 2.67Å; L1183-F1258 HydrophobicContact CB-CD1 4.13Å; L1183-F1258 HydrophobicContact CB-CE1 4.36Å; L1183-F1258 HydrophobicContact CD1-CD1 4.27Å; L1183-F1258 HydrophobicContact CD1-CE1 3.66Å; L1183-F1258 HydrophobicContact CD1-CZ 4.17Å; L1183-V1259 PolarHBondContact O-N 3.45Å
1184L83.8Confident75.9Confident10 Ų1053.6 Ų53.65%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-79.7122.1177.5-171.163.6000109.8A1187 P1189 D1196 F1224 L1226 V1259 V1261L1184-A1187 HydrophobicContact CD1-CB 4.26Å; L1184-A1187 HydrophobicContact CD2-CB 4.3Å; L1184-A1187 WeakPolarHBondContact CD2-O 3.14Å; L1184-A1187 HydrophobicContact CG-CB 4.34Å; L1184-A1187 WeakPolarHBondContact CG-O 3.37Å; L1184-P1189 HydrophobicContact CD2-CG 3.93Å; L1184-D1196 PolarHBondContact N-O 2.9Å; L1184-F1224 HydrophobicContact CB-CD1 4.3Å; L1184-F1224 HydrophobicContact CB-CE1 4.14Å; L1184-F1224 HydrophobicContact CB-CE2 4.43Å; L1184-F1224 HydrophobicContact CB-CZ 4.19Å; L1184-F1224 HydrophobicContact CD1-CD2 4.34Å; L1184-F1224 HydrophobicContact CD1-CG 4.4Å; L1184-F1224 HydrophobicContact CD2-CB 4.44Å; L1184-F1224 HydrophobicContact CD2-CD1 4.28Å; L1184-F1224 HydrophobicContact CD2-CG 4.37Å; L1184-L1226 HydrophobicContact CD1-CD1 3.94Å; L1184-V1259 HydrophobicContact CD1-CB 4.19Å; L1184-V1259 HydrophobicContact CD1-CG1 4.24Å; L1184-V1261 HydrophobicContact CD1-CG2 3.97Å
1185W76.1Confident75.7Confident124 Ų12449.3 Ų49.347%0.4729%0.285SS..  trans-96-54.1-168-177.7-101.1000114.9H1237 L1239 F1258 V1259W1185-H1237 VanDerWaalsContact CH2-O 3.29Å; W1185-H1237 WeakPolarHBondContact CH2-O 3.26Å; W1185-H1237 WeakPolarHBondContact CZ2-O 3.46Å; W1185-H1237 HydrophobicContact CZ3-CB 4.25Å; W1185-L1239 HydrophobicContact CG-CD1 4.09Å; W1185-L1239 HydrophobicContact CG-CD2 4.32Å; W1185-L1239 HydrophobicContact CG-CG 4.47Å; W1185-F1258 HydrophobicContact CE3-CD1 4.24Å; W1185-V1259 PolarHBondContact N-O 3.34Å
1186N67.1Low75.4Confident76 Ų7651.9 Ų51.941%0.40630%0.299SS..SBendtrans-123.727.5-169.668.8-36.4000113.3R1260 V1261N1186-R1260 WeakPolarHBondContact OD1-CA 3.32Å; N1186-V1261 PolarHBondContact ND2-O 3.19Å; N1186-V1261 PolarHBondContact OD1-N 3.48Å
1187A66.8Low75.4Confident27 Ų2749.7 Ų49.722%0.22329%0.288CS..  trans-145.7157.2175.400000110.1L1184 V1261L1184-A1187 HydrophobicContact CD1-CB 4.26Å; L1184-A1187 HydrophobicContact CD2-CB 4.3Å; L1184-A1187 WeakPolarHBondContact CD2-O 3.14Å; L1184-A1187 HydrophobicContact CG-CB 4.34Å; L1184-A1187 WeakPolarHBondContact CG-O 3.37Å; A1187-V1261 HydrophobicContact CB-CB 4.01Å; A1187-V1261 HydrophobicContact CB-CG2 3.53Å
1188V64Low75.5Confident125 Ų12549.6 Ų49.676%0.75829%0.288SS*.PPolyproline II helixtrans-94.4142.3167-173.20000107.3
1189P62.8Low75.6Confident18 Ų1847.8 Ų47.812%0.11728%0.276CS..PPolyproline II helixtrans-55.1152.1171.9-21.632.5000111.4L1184 Q1193 G1195L1184-P1189 HydrophobicContact CD2-CG 3.93Å; P1189-Q1193 HydrophobicContact CB-CB 3.76Å; P1189-G1195 WeakPolarHBondContact CG-O 3.35Å
1190A62.1Low75.6Confident50 Ų5047.6 Ų47.641%0.41328%0.276SS..PPolyproline II helixtrans-60.4164.2-179.400000112.5C1192 Q1193A1190-C1192 PolarHBondContact O-N 3.34Å; A1190-Q1193 PolarHBondContact O-N 3.46Å
1191E52Low75.5Confident202 Ų20248.7 Ų48.794%0.94428%0.282SS*.THydrogen-bonded Turntrans-49.95.9-169.6-72.4-176.2154.900118.7
1192C54.1Low75.3Confident126 Ų12648.8 Ų48.885%0.85128%0.282SS*.THydrogen-bonded Turntrans-137.215.2177.6-60.10000114.3A1190A1190-C1192 PolarHBondContact O-N 3.34Å
1193Q64.4Low75.2Confident42 Ų4249.4 Ų49.420%0.19629%0.286CS..  trans-131.2139.8176.2-67.2-176.4-3100110.5P1189 A1190 L1223 F1224P1189-Q1193 HydrophobicContact CB-CB 3.76Å; A1190-Q1193 PolarHBondContact O-N 3.46Å; Q1193-L1223 PolarHBondContact NE2-O 3.18Å; Q1193-L1223 PolarHBondContact OE1-O 2.77Å; Q1193-F1224 VanDerWaalsContact OE1-CA 3.27Å; Q1193-F1224 PolarHBondContact OE1-O 2.92Å
1194A61Low75.3Confident88 Ų8850.3 Ų50.373%0.72729%0.291SS*.  trans-109.4-20-179.600000113.6D1111D1111-A1194 WeakPolarHBondContact OD2-CA 3.26Å; D1111-A1194 PolarHBondContact OD2-N 2.95Å
1195G70.3Confident75.4Confident5 Ų550 Ų505%0.05229%0.29CS..  trans-82123.5-176.300000114.9D1111 P1189D1111-G1195 PolarHBondContact OD2-N 3.04Å; P1189-G1195 WeakPolarHBondContact CG-O 3.35Å
1196D78.9Confident75.9Confident80 Ų8047.3 Ų47.343%0.42829%0.287SS..SBendtrans-89.5-3175.665.9-16.5000113.8Q1077 L1184Q1077-D1196 PolarHBondContact NE2-OD2 3.37Å; L1184-D1196 PolarHBondContact N-O 2.9Å
1197A86.6Confident76.6Confident7 Ų747.1 Ų47.16%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-136.4141.8-178.500000112.1V1084 P1108 R1109 L1182 L1183V1084-A1197 HydrophobicContact CG1-CB 3.75Å; P1108-A1197 WeakPolarHBondContact CB-O 3.35Å; R1109-A1197 WeakPolarHBondContact CB-O 3.27Å; R1109-A1197 PolarHBondContact N-O 2.89Å; L1182-A1197 CarbonylContact O-C 3.6Å; L1182-A1197 VanDerWaalsContact O-CA 3.28Å; L1182-A1197 WeakPolarHBondContact O-CA 3.12Å; L1183-A1197 HydrophobicContact CD2-CB 3.48Å; L1183-A1197 VanDerWaalsContact CD2-CB 3.48Å
1198G89.4Confident77.3Confident0 Ų052.9 Ų52.90%032%0.319CS..EExtended strand (participates in β ladder)trans-148.4169.5179.100000113.9N1107 N1181 L1182N1107-G1198 WeakPolarHBondContact OD1-CA 3.44Å; N1181-G1198 CarbonylContact C-O 3.57Å; N1181-G1198 WeakPolarHBondContact CA-O 3.49Å; L1182-G1198 PolarHBondContact N-O 3Å; L1182-G1198 PolarHBondContact O-N 2.9Å
1199T91.9Very high78.1Confident0 Ų052.4 Ų52.40%031%0.312CS..EExtended strand (participates in β ladder)trans-114.7132.7175.5-59.30000109.5P1083 V1084 C1085 L1104 N1107 Y1179 N1181P1083-T1199 HydrophobicContact CB-CG2 3.91Å; V1084-T1199 PolarHBondContact N-OG1 3.12Å; C1085-T1199 PolarHBondContact N-OG1 3.22Å; L1104-T1199 HydrophobicContact CD1-CG2 4.37Å; L1104-T1199 WeakPolarHBondContact CD1-O 3.45Å; L1104-T1199 HydrophobicContact CD2-CG2 4.09Å; N1107-T1199 PolarHBondContact ND2-O 3.22Å; N1107-T1199 PolarHBondContact OD1-N 3.33Å; N1107-T1199 VanDerWaalsContact OD1-N 3.12Å; N1107-T1199 PolarHBondContact OD1-O 3.13Å; Y1179-T1199 HydrophobicContact CD2-CG2 3.84Å; Y1179-T1199 HydrophobicContact CG-CG2 4.16Å; N1181-T1199 PolarHBondContact OD1-OG1 3.2Å
1200L91.8Very high79.2Confident13 Ų1357.8 Ų57.87%0.06834%0.335CS..EExtended strand (participates in β ladder)trans-114131.1168.5-71.9-176.9000110.6Y1179 V1180 L1182 E1219 A1220 L1223Y1179-L1200 CarbonylContact C-O 3.42Å; Y1179-L1200 WeakPolarHBondContact CA-O 3.49Å; Y1179-L1200 WeakPolarHBondContact CB-O 3.44Å; V1180-L1200 HydrophobicContact CG2-CB 3.96Å; V1180-L1200 PolarHBondContact N-O 3.33Å; V1180-L1200 PolarHBondContact O-N 3.44Å; L1182-L1200 HydrophobicContact CD1-CD1 3.48Å; L1182-L1200 VanDerWaalsContact CD1-CD1 3.48Å; L1182-L1200 HydrophobicContact CD1-CG 3.83Å; L1182-L1200 HydrophobicContact CG-CD1 4.21Å; L1182-L1200 HydrophobicContact CG-CG 4.31Å; L1200-E1219 HydrophobicContact CD1-CB 3.95Å; L1200-E1219 HydrophobicContact CD2-CB 4.03Å; L1200-A1220 HydrophobicContact CD1-CB 4.33Å; L1200-L1223 HydrophobicContact CD2-CD1 3.59Å; L1200-L1223 HydrophobicContact CG-CD1 4Å
1201L91.4Very high80.3Confident24 Ų2457.6 Ų57.613%0.12633%0.327CS..EExtended strand (participates in β ladder)trans-83122.1172.5-58.7173.9000108.6V1102 L1104 L1175 C1177 P1178 V1203 N1204 L1211V1102-L1201 HydrophobicContact CB-CD1 3.79Å; V1102-L1201 HydrophobicContact CB-CD2 4.22Å; V1102-L1201 HydrophobicContact CG1-CD1 3.98Å; V1102-L1201 HydrophobicContact CG1-CD2 4.04Å; V1102-L1201 WeakPolarHBondContact O-CD1 3.31Å; L1104-L1201 HydrophobicContact CD1-CG 4.47Å; L1104-L1201 HydrophobicContact CD2-CD2 4.48Å; L1104-L1201 HydrophobicContact CG-CD1 4.42Å; L1104-L1201 HydrophobicContact CG-CG 4.48Å; L1175-L1201 HydrophobicContact CD2-CD2 4.11Å; C1177-L1201 HydrophobicContact CB-CD2 4.2Å; P1178-L1201 CarbonylContact O-C 3.46Å; L1201-V1203 VanDerWaalsContact C-N 3.32Å; L1201-N1204 HydrophobicContact CB-CB 4.25Å; L1201-N1204 HydrophobicContact CD1-CB 4.12Å; L1201-N1204 WeakPolarHBondContact CD1-ND2 3.25Å; L1201-L1211 VanDerWaalsContact O-CD1 3.27Å; L1201-L1211 WeakPolarHBondContact O-CD1 3.32Å
1202L89.1Confident81.9Confident1 Ų153.1 Ų53.11%0.00531%0.31CS..SBendtrans-75-23.7-179.4-60.4174.3000112.4P1178 V1180 E1210 L1211 L1216 V1249 L1252P1178-L1202 HydrophobicContact CB-CB 4.27Å; P1178-L1202 HydrophobicContact CB-CD1 4.22Å; P1178-L1202 WeakPolarHBondContact O-CB 3.1Å; P1178-L1202 PolarHBondContact O-N 2.83Å; V1180-L1202 HydrophobicContact CG1-CD1 4.16Å; V1180-L1202 HydrophobicContact CG1-CD2 4.09Å; V1180-L1202 HydrophobicContact CG1-CG 4.4Å; V1180-L1202 HydrophobicContact CG2-CD2 4.03Å; L1202-E1210 WeakPolarHBondContact O-CA 3.39Å; L1202-L1211 PolarHBondContact O-N 3.49Å; L1202-L1216 HydrophobicContact CD2-CD1 3.55Å; L1202-V1249 HydrophobicContact CB-CG1 3.91Å; L1202-V1249 HydrophobicContact CB-CG2 3.96Å; L1202-V1249 HydrophobicContact CD1-CB 4.44Å; L1202-V1249 HydrophobicContact CD1-CG1 3.93Å; L1202-V1249 HydrophobicContact CD1-CG2 4.44Å; L1202-L1252 HydrophobicContact CD1-CB 3.79Å
1203V88.6Confident83.3Confident13 Ų1349.5 Ų49.58%0.07928%0.28CS..SBendtrans-145.9127179.1-176.80000107.6C1177 L1201 R1208 E1210 V1249C1177-V1203 WeakPolarHBondContact CB-O 3.21Å; C1177-V1203 PolarHBondContact SG-O 3.42Å; L1201-V1203 VanDerWaalsContact C-N 3.32Å; V1203-R1208 WeakPolarHBondContact CG1-O 3.32Å; V1203-E1210 HydrophobicContact CG2-CB 4.18Å; V1203-E1210 HydrophobicContact CG2-CG 4.03Å; V1203-V1249 HydrophobicContact CG2-CG1 3.96Å; V1203-V1249 HydrophobicContact CG2-CG2 4.43Å
1204N89.4Confident84.2Confident25 Ų2551.5 Ų51.513%0.13430%0.299CS..SBendtrans-163.4124.4176.2-165.224.6000111.7G1101 V1102 L1201 R1208 N1209G1101-N1204 WeakPolarHBondContact CA-OD1 3.43Å; V1102-N1204 PolarHBondContact N-OD1 3.29Å; V1102-N1204 PolarHBondContact O-ND2 3.17Å; V1102-N1204 PolarHBondContact O-OD1 3.25Å; L1201-N1204 HydrophobicContact CB-CB 4.25Å; L1201-N1204 HydrophobicContact CD1-CB 4.12Å; L1201-N1204 WeakPolarHBondContact CD1-ND2 3.25Å; N1204-R1208 CarbonylContact C-O 3.6Å; N1204-R1208 PolarHBondContact N-O 2.98Å; N1204-R1208 VanDerWaalsContact N-O 3.1Å; N1204-N1209 WeakPolarHBondContact O-CB 3.45Å; N1204-N1209 PolarHBondContact O-ND2 2.94Å
1205P86.5Confident85.4Confident4 Ų448.1 Ų48.13%0.02627%0.272CS..SBendcis-67.7171.8-0.728.9-33.3000112.6E1100 I1126 F1127 G1207 R1208E1100-P1205 WeakPolarHBondContact O-CB 3.44Å; I1126-P1205 HydrophobicContact CG2-CB 4.24Å; I1126-P1205 HydrophobicContact CG2-CG 4.45Å; I1126-P1205 WeakPolarHBondContact O-CD 3.13Å; F1127-P1205 HydrophobicContact CD1-CB 3.82Å; F1127-P1205 HydrophobicContact CD1-CG 4.24Å; F1127-P1205 HydrophobicContact CE1-CB 3.57Å; F1127-P1205 HydrophobicContact CE1-CG 4.46Å; F1127-P1205 HydrophobicContact CZ-CB 4.36Å; P1205-G1207 PolarHBondContact O-N 2.99Å; P1205-G1207 VanDerWaalsContact O-N 3.15Å; P1205-R1208 HydrophobicContact CG-CB 4.18Å; P1205-R1208 PolarHBondContact O-N 3.38Å
1206V85.9Confident86.2Confident67 Ų6748 Ų4841%0.40627%0.271SS..THydrogen-bonded Turntrans-49.3121.7-175.9176.60000110.6E1100 L1176E1100-V1206 HydrophobicContact CB-CB 4.4Å; E1100-V1206 HydrophobicContact CB-CG2 3.95Å; E1100-V1206 WeakPolarHBondContact O-CB 3.4Å; E1100-V1206 WeakPolarHBondContact O-CG2 3.36Å; E1100-V1206 PolarHBondContact O-N 3Å; L1176-V1206 HydrophobicContact CB-CG2 3.94Å
1207G80.8Confident86.6Confident72 Ų7246.3 Ų46.374%0.74226%0.261SS*.THydrogen-bonded Turntrans76.713.1179.600000116P1205P1205-G1207 PolarHBondContact O-N 2.99Å; P1205-G1207 VanDerWaalsContact O-N 3.15Å
1208R81.9Confident86.6Confident149 Ų14948.3 Ų48.356%0.56228%0.275SS*.SBendtrans-136.8157.9177.7-62.2-172.1179-166.3-1.6112.2V1203 N1204 P1205 E1210V1203-R1208 WeakPolarHBondContact CG1-O 3.32Å; N1204-R1208 CarbonylContact C-O 3.6Å; N1204-R1208 PolarHBondContact N-O 2.98Å; N1204-R1208 VanDerWaalsContact N-O 3.1Å; P1205-R1208 HydrophobicContact CG-CB 4.18Å; P1205-R1208 PolarHBondContact O-N 3.38Å; R1208-E1210 PolarHBondContact O-N 2.97Å
1209N80.4Confident86.6Confident115 Ų11551.4 Ų51.462%0.61529%0.289SS*.SBendtrans5550.2177.4-50.8-36.1000113.2N1204 L1211N1204-N1209 WeakPolarHBondContact O-CB 3.45Å; N1204-N1209 PolarHBondContact O-ND2 2.94Å; N1209-L1211 PolarHBondContact O-N 2.87Å
1210E86.2Confident86.4Confident131 Ų13151.4 Ų51.461%0.61229%0.289SS*.  trans-63.5128174.9-172.6167.5179.300110.8L1202 V1203 R1208 V1249L1202-E1210 WeakPolarHBondContact O-CA 3.39Å; V1203-E1210 HydrophobicContact CG2-CB 4.18Å; V1203-E1210 HydrophobicContact CG2-CG 4.03Å; R1208-E1210 PolarHBondContact O-N 2.97Å; E1210-V1249 HydrophobicContact CG-CG2 3.53Å; E1210-V1249 WeakPolarHBondContact OE1-CB 3.45Å; E1210-V1249 WeakPolarHBondContact OE1-CG2 3.02Å
1211L85.9Confident86.1Confident46 Ų4651.5 Ų51.524%0.24129%0.292CS..  trans-78.6123.1177.2-68.6179.4000110.4L1201 L1202 N1209 E1219L1201-L1211 VanDerWaalsContact O-CD1 3.27Å; L1201-L1211 WeakPolarHBondContact O-CD1 3.32Å; L1202-L1211 PolarHBondContact O-N 3.49Å; N1209-L1211 PolarHBondContact O-N 2.87Å; L1211-E1219 HydrophobicContact CD1-CG 4.44Å; L1211-E1219 HydrophobicContact CD2-CG 4.34Å
1212D84.5Confident85.8Confident108 Ų10855.1 Ų55.158%0.57831%0.307SS*.  trans-79.8174.9165.269.310.9000111.2S1214 G1215 L1216D1212-S1214 VanDerWaalsContact C-N 3.26Å; D1212-S1214 PolarHBondContact O-N 3.03Å; D1212-S1214 PolarHBondContact OD1-N 3.28Å; D1212-G1215 PolarHBondContact O-N 3.35Å; D1212-G1215 VanDerWaalsContact O-N 3.14Å; D1212-G1215 PolarHBondContact OD1-N 3.38Å; D1212-L1216 PolarHBondContact O-N 3.01Å
1213H84.7Confident85.7Confident50 Ų5055.7 Ų55.723%0.23131%0.31CS..Hα-helixtrans-58-36.8-178.5-178.5-91.9000113.1L1216 L1217 L1243 A1245H1213-L1216 PolarHBondContact O-N 2.63Å; H1213-L1217 VanDerWaalsContact CE1-CD1 3.49Å; H1213-L1217 WeakPolarHBondContact CE1-CD1 3.44Å; H1213-L1217 PolarHBondContact O-N 2.64Å; H1213-L1217 VanDerWaalsContact O-N 3.13Å; H1213-L1243 PolarHBondContact NE2-O 2.87Å; H1213-A1245 WeakPolarHBondContact CB-O 3.14Å
1214S83.9Confident85.6Confident84 Ų8455.1 Ų55.159%0.58731%0.306SS*.Hα-helixtrans-68.9-41.7177.2-1760000111.4D1212 L1216 L1217 S1218D1212-S1214 VanDerWaalsContact C-N 3.26Å; D1212-S1214 PolarHBondContact O-N 3.03Å; D1212-S1214 PolarHBondContact OD1-N 3.28Å; S1214-L1216 VanDerWaalsContact C-N 3.35Å; S1214-L1217 PolarHBondContact O-N 3.06Å; S1214-S1218 WeakPolarHBondContact O-CB 3.46Å; S1214-S1218 PolarHBondContact O-N 3.33Å
1215G84.8Confident85.1Confident16 Ų1655.3 Ų55.317%0.16531%0.314CS..Hα-helixtrans-60.5-43.417300000111.8D1212 L1217 S1218 E1219D1212-G1215 PolarHBondContact O-N 3.35Å; D1212-G1215 VanDerWaalsContact O-N 3.14Å; D1212-G1215 PolarHBondContact OD1-N 3.38Å; G1215-L1217 PolarHBondContact O-N 2.99Å; G1215-S1218 PolarHBondContact O-N 2.88Å; G1215-E1219 WeakPolarHBondContact O-CB 3.27Å; G1215-E1219 WeakPolarHBondContact O-CG 3.27Å; G1215-E1219 PolarHBondContact O-N 3.48Å
1216L87.8Confident84.8Confident4 Ų455.3 Ų55.32%0.02131%0.314CS..Hα-helixtrans-60.3-45.4177.4-162.683.4000112.1V1180 L1202 D1212 H1213 S1214 A1220 L1233 L1243 L1252 L1257V1180-L1216 HydrophobicContact CG2-CD1 4.13Å; L1202-L1216 HydrophobicContact CD2-CD1 3.55Å; D1212-L1216 PolarHBondContact O-N 3.01Å; H1213-L1216 PolarHBondContact O-N 2.63Å; S1214-L1216 VanDerWaalsContact C-N 3.35Å; L1216-A1220 WeakPolarHBondContact O-CB 3.42Å; L1216-A1220 PolarHBondContact O-N 3.28Å; L1216-L1233 HydrophobicContact CB-CD1 4.47Å; L1216-L1233 HydrophobicContact CD2-CD1 3.45Å; L1216-L1233 VanDerWaalsContact CD2-CD1 3.45Å; L1216-L1233 HydrophobicContact CG-CD1 3.87Å; L1216-L1243 HydrophobicContact CD2-CD2 3.36Å; L1216-L1252 HydrophobicContact CD2-CD1 4.42Å; L1216-L1257 HydrophobicContact CD2-CD1 3.75Å
1217L87.6Confident84Confident44 Ų4462.2 Ų62.223%0.2333%0.333CS..Hα-helixtrans-64.3-44.4175.3-75.2168.5000112H1213 S1214 G1215 A1220 A1221 I1231 L1233H1213-L1217 VanDerWaalsContact CE1-CD1 3.49Å; H1213-L1217 WeakPolarHBondContact CE1-CD1 3.44Å; H1213-L1217 PolarHBondContact O-N 2.64Å; H1213-L1217 VanDerWaalsContact O-N 3.13Å; S1214-L1217 PolarHBondContact O-N 3.06Å; G1215-L1217 PolarHBondContact O-N 2.99Å; L1217-A1220 PolarHBondContact O-N 2.99Å; L1217-A1221 WeakPolarHBondContact O-CB 3.47Å; L1217-A1221 PolarHBondContact O-N 3.1Å; L1217-I1231 HydrophobicContact CD2-CD1 4.37Å; L1217-I1231 HydrophobicContact CD2-CG1 4.08Å; L1217-L1233 HydrophobicContact CD2-CD1 3.88Å; L1217-L1233 HydrophobicContact CD2-CG 3.75Å; L1217-L1233 HydrophobicContact CG-CD1 4.3Å
1218S86.3Confident83.5Confident49 Ų4962.7 Ų62.734%0.34334%0.338SS..Hα-helixtrans-61.4-47.5178.1163.30000111.8S1214 G1215 A1221 K1222S1214-S1218 WeakPolarHBondContact O-CB 3.46Å; S1214-S1218 PolarHBondContact O-N 3.33Å; G1215-S1218 PolarHBondContact O-N 2.88Å; S1218-A1221 PolarHBondContact O-N 3.07Å; S1218-K1222 WeakPolarHBondContact O-CG 3.19Å; S1218-K1222 PolarHBondContact O-N 3.2Å; S1218-K1222 WeakPolarHBondContact OG-CE 3.41Å
1219E88.1Confident83.3Confident64 Ų6462 Ų6230%0.29934%0.335SS..Hα-helixtrans-69.5-36.7179.7-67.2-51.2126.500112L1200 L1211 G1215 A1221 K1222 L1223L1200-E1219 HydrophobicContact CD1-CB 3.95Å; L1200-E1219 HydrophobicContact CD2-CB 4.03Å; L1211-E1219 HydrophobicContact CD1-CG 4.44Å; L1211-E1219 HydrophobicContact CD2-CG 4.34Å; G1215-E1219 WeakPolarHBondContact O-CB 3.27Å; G1215-E1219 WeakPolarHBondContact O-CG 3.27Å; G1215-E1219 PolarHBondContact O-N 3.48Å; E1219-A1221 PolarHBondContact O-N 2.91Å; E1219-K1222 PolarHBondContact O-N 3.45Å; E1219-K1222 IonicContact OE1-NZ 2.65Å; E1219-K1222 PolarHBondContact OE1-NZ 2.99Å; E1219-L1223 VanDerWaalsContact O-CB 3.27Å; E1219-L1223 WeakPolarHBondContact O-CB 3.12Å; E1219-L1223 PolarHBondContact O-N 3.07Å
1220A88.6Confident83.3Confident0 Ų065.3 Ų65.30%034%0.339CS..Hα-helixtrans-61.3-43.2172.600000112.1L1182 L1200 L1216 L1217 L1223 F1224 I1231 L1233L1182-A1220 HydrophobicContact CD1-CB 3.5Å; L1200-A1220 HydrophobicContact CD1-CB 4.33Å; L1216-A1220 WeakPolarHBondContact O-CB 3.42Å; L1216-A1220 PolarHBondContact O-N 3.28Å; L1217-A1220 PolarHBondContact O-N 2.99Å; A1220-L1223 PolarHBondContact O-N 2.58Å; A1220-F1224 PolarHBondContact O-N 3.37Å; A1220-I1231 HydrophobicContact CB-CD1 4.03Å; A1220-L1233 HydrophobicContact CB-CD2 4.15Å
1221A85.9Confident83.4Confident16 Ų1659.9 Ų59.913%0.13231%0.314CS..Hα-helixtrans-65.9-40.2176.400000112L1217 S1218 E1219 G1225 L1226 I1231L1217-A1221 WeakPolarHBondContact O-CB 3.47Å; L1217-A1221 PolarHBondContact O-N 3.1Å; S1218-A1221 PolarHBondContact O-N 3.07Å; E1219-A1221 PolarHBondContact O-N 2.91Å; A1221-G1225 PolarHBondContact O-N 3.15Å; A1221-L1226 HydrophobicContact CB-CB 4.44Å; A1221-L1226 PolarHBondContact O-N 2.85Å; A1221-I1231 HydrophobicContact CB-CD1 3.85Å
1222K85.5Confident83.5Confident99 Ų9960.4 Ų60.443%0.4331%0.314SS..Hα-helixtrans-64.4-41.8176.3-74.2173.5-168.9171.10111.9S1218 E1219 F1224 G1225S1218-K1222 WeakPolarHBondContact O-CG 3.19Å; S1218-K1222 PolarHBondContact O-N 3.2Å; S1218-K1222 WeakPolarHBondContact OG-CE 3.41Å; E1219-K1222 PolarHBondContact O-N 3.45Å; E1219-K1222 IonicContact OE1-NZ 2.65Å; E1219-K1222 PolarHBondContact OE1-NZ 2.99Å; K1222-F1224 PolarHBondContact O-N 2.96Å; K1222-G1225 PolarHBondContact O-N 3.21Å
1223L86.7Confident83.7Confident14 Ų1455.4 Ų55.47%0.07329%0.287CS..Hα-helixtrans-58.2-45.8-176.1-176.2147000111.9N1107 P1108 L1182 Q1193 L1200 E1219 A1220N1107-L1223 WeakPolarHBondContact ND2-CD1 3.49Å; N1107-L1223 VanDerWaalsContact OD1-CD1 3.3Å; N1107-L1223 WeakPolarHBondContact OD1-CD1 3.28Å; P1108-L1223 HydrophobicContact CB-CD2 4.04Å; L1182-L1223 HydrophobicContact CD1-CD1 4.48Å; Q1193-L1223 PolarHBondContact NE2-O 3.18Å; Q1193-L1223 PolarHBondContact OE1-O 2.77Å; L1200-L1223 HydrophobicContact CD2-CD1 3.59Å; L1200-L1223 HydrophobicContact CG-CD1 4Å; E1219-L1223 VanDerWaalsContact O-CB 3.27Å; E1219-L1223 WeakPolarHBondContact O-CB 3.12Å; E1219-L1223 PolarHBondContact O-N 3.07Å; A1220-L1223 PolarHBondContact O-N 2.58Å
1224F85.1Confident83.8Confident0 Ų053.8 Ų53.80%028%0.279CS..THydrogen-bonded Turntrans-95.412.1178.9-61.3-65.7000114.5P1108 L1182 L1184 Q1193 A1220 K1222 L1226 V1259P1108-F1224 HydrophobicContact CB-CE1 4.33Å; L1182-F1224 HydrophobicContact CB-CE2 3.8Å; L1182-F1224 HydrophobicContact CB-CZ 3.99Å; L1182-F1224 HydrophobicContact CD1-CE2 4.12Å; L1184-F1224 HydrophobicContact CB-CD1 4.3Å; L1184-F1224 HydrophobicContact CB-CE1 4.14Å; L1184-F1224 HydrophobicContact CB-CE2 4.43Å; L1184-F1224 HydrophobicContact CB-CZ 4.19Å; L1184-F1224 HydrophobicContact CD1-CD2 4.34Å; L1184-F1224 HydrophobicContact CD1-CG 4.4Å; L1184-F1224 HydrophobicContact CD2-CB 4.44Å; L1184-F1224 HydrophobicContact CD2-CD1 4.28Å; L1184-F1224 HydrophobicContact CD2-CG 4.37Å; Q1193-F1224 VanDerWaalsContact OE1-CA 3.27Å; Q1193-F1224 PolarHBondContact OE1-O 2.92Å; A1220-F1224 PolarHBondContact O-N 3.37Å; K1222-F1224 PolarHBondContact O-N 2.96Å; F1224-L1226 VanDerWaalsContact C-N 3.27Å; F1224-L1226 HydrophobicContact CB-CD1 3.9Å; F1224-L1226 HydrophobicContact CB-CG 3.87Å; F1224-L1226 PolarHBondContact O-N 3.08Å; F1224-V1259 HydrophobicContact CD2-CG2 4.42Å; F1224-V1259 HydrophobicContact CE2-CG2 3.91Å
1225G80.4Confident83.8Confident29 Ų2952.1 Ų52.130%0.29926%0.264SS..THydrogen-bonded Turntrans68.220.6177.600000115.1A1221 K1222 R1227A1221-G1225 PolarHBondContact O-N 3.15Å; K1222-G1225 PolarHBondContact O-N 3.21Å; G1225-R1227 PolarHBondContact O-N 3.42Å; G1225-R1227 VanDerWaalsContact O-N 3.07Å
1226L80.5Confident83.3Confident5 Ų552.8 Ų52.83%0.02626%0.263CS..  trans-8533.8-173.7-57.1172.9000113.2L1184 A1221 F1224 G1228 R1229 I1231 V1259 V1261L1184-L1226 HydrophobicContact CD1-CD1 3.94Å; A1221-L1226 HydrophobicContact CB-CB 4.44Å; A1221-L1226 PolarHBondContact O-N 2.85Å; F1224-L1226 VanDerWaalsContact C-N 3.27Å; F1224-L1226 HydrophobicContact CB-CD1 3.9Å; F1224-L1226 HydrophobicContact CB-CG 3.87Å; F1224-L1226 PolarHBondContact O-N 3.08Å; L1226-G1228 PolarHBondContact O-N 2.94Å; L1226-R1229 HydrophobicContact CB-CB 4.36Å; L1226-R1229 PolarHBondContact O-N 3.15Å; L1226-I1231 HydrophobicContact CD1-CG2 3.96Å; L1226-V1259 HydrophobicContact CD1-CG1 4.48Å; L1226-V1261 HydrophobicContact CD1-CG2 3.73Å; L1226-V1261 HydrophobicContact CD2-CG2 4.31Å
1227R69.3Low82.5Confident212 Ų21256.9 Ų56.980%0.828%0.282SS*.THydrogen-bonded Turntrans-58.7125.5-176.2-71.6-174.7-175.4177.42.9110.7G1225 R1229G1225-R1227 PolarHBondContact O-N 3.42Å; G1225-R1227 VanDerWaalsContact O-N 3.07Å; R1227-R1229 VanDerWaalsContact C-N 3.31Å; R1227-R1229 PolarHBondContact O-N 3.29Å
1228G69.3Low81.6Confident82 Ų8261 Ų6185%0.84530%0.3SS*.THydrogen-bonded Turntrans83.8-6.1-179.300000115.2L1226L1226-G1228 PolarHBondContact O-N 2.94Å
1229R77.3Confident81Confident135 Ų13559.8 Ų59.851%0.50929%0.29SS..  trans-85.8144.8173.4-60.9-158.4-177.6-161.70.8111.2L1226 R1227 V1261L1226-R1229 HydrophobicContact CB-CB 4.36Å; L1226-R1229 PolarHBondContact O-N 3.15Å; R1227-R1229 VanDerWaalsContact C-N 3.31Å; R1227-R1229 PolarHBondContact O-N 3.29Å; R1229-V1261 HydrophobicContact CB-CG1 4.02Å; R1229-V1261 HydrophobicContact CG-CG1 4.47Å
1230R81.2Confident80.2Confident183 Ų18362.2 Ų62.269%0.69131%0.309SS*.  trans-80.6119.2173.9-170.3178.2-175.3-175.51.7109F1262R1230-F1262 HydrophobicContact CB-CB 4.37Å; R1230-F1262 PolarHBondContact O-N 3.33Å
1231I87.6Confident79.9Confident18 Ų1864.7 Ų64.79%0.09233%0.326CS..EExtended strand (participates in β ladder)trans-120.6155.4178.567.6166.9000111.8L1217 A1220 A1221 L1226 V1259 R1260 V1261L1217-I1231 HydrophobicContact CD2-CD1 4.37Å; L1217-I1231 HydrophobicContact CD2-CG1 4.08Å; A1220-I1231 HydrophobicContact CB-CD1 4.03Å; A1221-I1231 HydrophobicContact CB-CD1 3.85Å; L1226-I1231 HydrophobicContact CD1-CG2 3.96Å; I1231-V1259 HydrophobicContact CB-CG1 4.25Å; I1231-V1259 HydrophobicContact CD1-CG1 4.06Å; I1231-V1259 HydrophobicContact CG2-CG1 4.43Å; I1231-R1260 CarbonylContact C-O 3.5Å; I1231-R1260 VanDerWaalsContact CA-O 3.28Å; I1231-R1260 WeakPolarHBondContact CA-O 3.45Å; I1231-V1261 HydrophobicContact CG2-CG1 4.41Å; I1231-V1261 HydrophobicContact CG2-CG2 4.17Å
1232K88.1Confident79.9Confident57 Ų5767.9 Ų67.925%0.24834%0.338CS..EExtended strand (participates in β ladder)trans-131.8152.2166.6-70.1-179.3161.2-153.10110.1Y1234 E1242 R1260 F1262K1232-Y1234 HydrophobicContact CB-CD2 4.48Å; K1232-Y1234 HydrophobicContact CB-CE2 3.7Å; K1232-E1242 WeakPolarHBondContact CD-OE1 3.46Å; K1232-E1242 WeakPolarHBondContact CE-OE1 3.32Å; K1232-E1242 WeakPolarHBondContact CG-OE1 3.42Å; K1232-E1242 VanDerWaalsContact NZ-CD 3.26Å; K1232-E1242 IonicContact NZ-OE1 2.71Å; K1232-E1242 PolarHBondContact NZ-OE1 3.29Å; K1232-E1242 IonicContact NZ-OE2 2.71Å; K1232-E1242 PolarHBondContact NZ-OE2 3.33Å; K1232-R1260 PolarHBondContact N-O 3.27Å; K1232-R1260 PolarHBondContact O-N 2.88Å; K1232-F1262 HydrophobicContact CB-CE2 3.87Å; K1232-F1262 HydrophobicContact CD-CE2 3.57Å; K1232-F1262 HydrophobicContact CD-CZ 3.74Å; K1232-F1262 HydrophobicContact CG-CD2 4.44Å; K1232-F1262 HydrophobicContact CG-CE2 3.61Å; K1232-F1262 HydrophobicContact CG-CZ 4.31Å
1233L89.6Confident79.9Confident2 Ų263.4 Ų63.41%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-108.2137.9179.7-59.7173.6000109.5L1182 L1216 L1217 A1220 L1243 L1257 F1258 V1259L1182-L1233 HydrophobicContact CD2-CD2 4.41Å; L1216-L1233 HydrophobicContact CB-CD1 4.47Å; L1216-L1233 HydrophobicContact CD2-CD1 3.45Å; L1216-L1233 VanDerWaalsContact CD2-CD1 3.45Å; L1216-L1233 HydrophobicContact CG-CD1 3.87Å; L1217-L1233 HydrophobicContact CD2-CD1 3.88Å; L1217-L1233 HydrophobicContact CD2-CG 3.75Å; L1217-L1233 HydrophobicContact CG-CD1 4.3Å; A1220-L1233 HydrophobicContact CB-CD2 4.15Å; L1233-L1243 HydrophobicContact CB-CB 4.02Å; L1233-L1243 HydrophobicContact CB-CD2 4.13Å; L1233-L1243 HydrophobicContact CD1-CD2 4.01Å; L1233-L1243 WeakPolarHBondContact O-CB 3.25Å; L1233-L1243 PolarHBondContact O-N 2.91Å; L1233-L1257 HydrophobicContact CD1-CD1 4.3Å; L1233-F1258 CarbonylContact C-O 3.56Å; L1233-F1258 WeakPolarHBondContact CA-O 3.38Å; L1233-V1259 HydrophobicContact CD2-CB 4.3Å; L1233-V1259 HydrophobicContact CD2-CG1 4.29Å; L1233-V1259 HydrophobicContact CD2-CG2 3.68Å
1234Y86.5Confident79.7Confident16 Ų1666.2 Ų66.26%0.06334%0.338CS..EExtended strand (participates in β ladder)trans-125.6149.9-179.4-66.5-100.2000111.1K1232 L1239 S1241 E1242 L1257 F1258 R1260K1232-Y1234 HydrophobicContact CB-CD2 4.48Å; K1232-Y1234 HydrophobicContact CB-CE2 3.7Å; Y1234-L1239 HydrophobicContact CD1-CB 3.96Å; Y1234-L1239 HydrophobicContact CD1-CD2 4.47Å; Y1234-L1239 WeakPolarHBondContact CD1-O 3.26Å; Y1234-L1239 HydrophobicContact CD2-CB 4.38Å; Y1234-L1239 HydrophobicContact CD2-CD2 3.65Å; Y1234-L1239 HydrophobicContact CE1-CB 4.11Å; Y1234-L1239 WeakPolarHBondContact CE1-O 3.43Å; Y1234-L1239 HydrophobicContact CE2-CD2 4.3Å; Y1234-L1239 HydrophobicContact CG-CB 4.11Å; Y1234-L1239 HydrophobicContact CG-CD2 3.76Å; Y1234-S1241 CarbonylContact C-O 3.53Å; Y1234-S1241 VanDerWaalsContact CA-O 3.26Å; Y1234-S1241 WeakPolarHBondContact CA-O 3.41Å; Y1234-E1242 HydrophobicContact CD1-CB 4.11Å; Y1234-E1242 HydrophobicContact CE1-CB 3.88Å; Y1234-L1257 CarbonylContact O-C 3.54Å; Y1234-L1257 VanDerWaalsContact O-CA 3.25Å; Y1234-L1257 WeakPolarHBondContact O-CA 3.36Å; Y1234-F1258 PolarHBondContact N-O 2.96Å; Y1234-F1258 PolarHBondContact O-N 3.2Å; Y1234-R1260 HydrophobicContact CD2-CB 4.11Å; Y1234-R1260 HydrophobicContact CE2-CB 3.69Å
1235L83.1Confident79.4Confident50 Ų5069.8 Ų69.826%0.26237%0.368SS..SBendtrans-84.9-14.5179.6-67.9168.3000113S1241 L1243 L1252 K1255 L1257L1235-S1241 PolarHBondContact N-O 2.87Å; L1235-L1243 HydrophobicContact CD2-CD1 4.09Å; L1235-L1243 HydrophobicContact CG-CD1 4.46Å; L1235-L1252 HydrophobicContact CD2-CD2 4.32Å; L1235-K1255 HydrophobicContact CD2-CD 4.06Å; L1235-L1257 HydrophobicContact CD2-CD2 3.6Å; L1235-L1257 HydrophobicContact CG-CD2 4.5Å
1236D75.1Confident79.1Confident29 Ų2977.6 Ų77.616%0.15540%0.397CS..SBendtrans-132.3153.2-178.172.9105000112.7H1238 L1239 T1240 S1241 F1258D1236-H1238 VanDerWaalsContact C-N 3.26Å; D1236-H1238 PolarHBondContact O-N 2.86Å; D1236-H1238 WeakPolarHBondContact OD1-CA 3.37Å; D1236-H1238 WeakPolarHBondContact OD1-CB 3.4Å; D1236-H1238 PolarHBondContact OD1-N 3.32Å; D1236-L1239 PolarHBondContact O-N 3.47Å; D1236-L1239 VanDerWaalsContact O-N 3.16Å; D1236-L1239 PolarHBondContact OD1-N 3.11Å; D1236-L1239 VanDerWaalsContact OD1-N 3.11Å; D1236-T1240 PolarHBondContact OD1-N 3.3Å; D1236-T1240 VanDerWaalsContact OD1-N 3.09Å; D1236-T1240 PolarHBondContact OD1-OG1 2.87Å; D1236-T1240 PolarHBondContact OD2-N 3.38Å; D1236-T1240 PolarHBondContact OD2-OG1 2.83Å; D1236-S1241 WeakPolarHBondContact OD2-CA 3.49Å; D1236-S1241 WeakPolarHBondContact OD2-CB 3.34Å; D1236-S1241 PolarHBondContact OD2-N 3.35Å; D1236-F1258 VanDerWaalsContact C-CE2 3.44Å; D1236-F1258 VanDerWaalsContact O-CD2 3.31Å; D1236-F1258 WeakPolarHBondContact O-CD2 3.27Å
1237H70.6Confident79Confident90 Ų9078.9 Ų78.942%0.41741%0.406SS..THydrogen-bonded Turntrans-70.2-17.3-17873.4-63.1000114.5W1185 F1258W1185-H1237 VanDerWaalsContact CH2-O 3.29Å; W1185-H1237 WeakPolarHBondContact CH2-O 3.26Å; W1185-H1237 WeakPolarHBondContact CZ2-O 3.46Å; W1185-H1237 HydrophobicContact CZ3-CB 4.25Å; H1237-F1258 HydrophobicContact CB-CD1 4.07Å; H1237-F1258 HydrophobicContact CB-CE1 3.51Å; H1237-F1258 HydrophobicContact CB-CE2 4.1Å; H1237-F1258 HydrophobicContact CB-CZ 3.54Å; H1237-F1258 VanDerWaalsContact N-CE2 3.33Å
1238H68.2Low79.4Confident131 Ų13171.9 Ų71.961%0.60639%0.39SS*.THydrogen-bonded Turntrans-85-0.4175-60.1-59.4000112.3D1236 T1240D1236-H1238 VanDerWaalsContact C-N 3.26Å; D1236-H1238 PolarHBondContact O-N 2.86Å; D1236-H1238 WeakPolarHBondContact OD1-CA 3.37Å; D1236-H1238 WeakPolarHBondContact OD1-CB 3.4Å; D1236-H1238 PolarHBondContact OD1-N 3.32Å; H1238-T1240 VanDerWaalsContact C-N 3.28Å; H1238-T1240 HydrophobicContact CB-CG2 3.88Å; H1238-T1240 PolarHBondContact O-N 3.04Å
1239L74.3Confident79.7Confident24 Ų2468.6 Ų68.613%0.12635%0.353CS..SBendtrans58.736.8-179-50.8174.1000112.9W1185 Y1234 D1236 F1258 R1260W1185-L1239 HydrophobicContact CG-CD1 4.09Å; W1185-L1239 HydrophobicContact CG-CD2 4.32Å; W1185-L1239 HydrophobicContact CG-CG 4.47Å; Y1234-L1239 HydrophobicContact CD1-CB 3.96Å; Y1234-L1239 HydrophobicContact CD1-CD2 4.47Å; Y1234-L1239 WeakPolarHBondContact CD1-O 3.26Å; Y1234-L1239 HydrophobicContact CD2-CB 4.38Å; Y1234-L1239 HydrophobicContact CD2-CD2 3.65Å; Y1234-L1239 HydrophobicContact CE1-CB 4.11Å; Y1234-L1239 WeakPolarHBondContact CE1-O 3.43Å; Y1234-L1239 HydrophobicContact CE2-CD2 4.3Å; Y1234-L1239 HydrophobicContact CG-CB 4.11Å; Y1234-L1239 HydrophobicContact CG-CD2 3.76Å; D1236-L1239 PolarHBondContact O-N 3.47Å; D1236-L1239 VanDerWaalsContact O-N 3.16Å; D1236-L1239 PolarHBondContact OD1-N 3.11Å; D1236-L1239 VanDerWaalsContact OD1-N 3.11Å; L1239-F1258 HydrophobicContact CD2-CB 3.92Å; L1239-R1260 HydrophobicContact CD1-CB 4.31Å; L1239-R1260 HydrophobicContact CD1-CG 3.99Å; L1239-R1260 HydrophobicContact CD2-CB 4.38Å
1240T72.4Confident79.6Confident115 Ų11571.8 Ų71.871%0.70637%0.371SS*.  trans-94.7-26.5-177.157.80000113.2D1236 H1238D1236-T1240 PolarHBondContact OD1-N 3.3Å; D1236-T1240 VanDerWaalsContact OD1-N 3.09Å; D1236-T1240 PolarHBondContact OD1-OG1 2.87Å; D1236-T1240 PolarHBondContact OD2-N 3.38Å; D1236-T1240 PolarHBondContact OD2-OG1 2.83Å; H1238-T1240 VanDerWaalsContact C-N 3.28Å; H1238-T1240 HydrophobicContact CB-CG2 3.88Å; H1238-T1240 PolarHBondContact O-N 3.04Å
1241S81Confident79.6Confident52 Ų5265.3 Ų65.336%0.36435%0.353SS..SBendtrans-118.494.4-177.6-172.30000110.3Y1234 L1235 D1236Y1234-S1241 CarbonylContact C-O 3.53Å; Y1234-S1241 VanDerWaalsContact CA-O 3.26Å; Y1234-S1241 WeakPolarHBondContact CA-O 3.41Å; L1235-S1241 PolarHBondContact N-O 2.87Å; D1236-S1241 WeakPolarHBondContact OD2-CA 3.49Å; D1236-S1241 WeakPolarHBondContact OD2-CB 3.34Å; D1236-S1241 PolarHBondContact OD2-N 3.35Å
1242E86.9Confident79.5Confident82 Ų8264.9 Ų64.938%0.38335%0.351SS..BIsolated β-bridgetrans-66.3141.2173.4-173.9173.5177.100110.3K1232 Y1234 P1244K1232-E1242 WeakPolarHBondContact CD-OE1 3.46Å; K1232-E1242 WeakPolarHBondContact CE-OE1 3.32Å; K1232-E1242 WeakPolarHBondContact CG-OE1 3.42Å; K1232-E1242 VanDerWaalsContact NZ-CD 3.26Å; K1232-E1242 IonicContact NZ-OE1 2.71Å; K1232-E1242 PolarHBondContact NZ-OE1 3.29Å; K1232-E1242 IonicContact NZ-OE2 2.71Å; K1232-E1242 PolarHBondContact NZ-OE2 3.33Å; Y1234-E1242 HydrophobicContact CD1-CB 4.11Å; Y1234-E1242 HydrophobicContact CE1-CB 3.88Å; E1242-P1244 VanDerWaalsContact O-CD 3.24Å; E1242-P1244 WeakPolarHBondContact O-CD 3.44Å
1243L84.8Confident79.4Confident6 Ų666 Ų663%0.03136%0.357CS..PPolyproline II helixtrans-60.8120.5177.3-179.168.8000110.2H1213 L1216 L1233 L1235 S1247 L1252 L1257H1213-L1243 PolarHBondContact NE2-O 2.87Å; L1216-L1243 HydrophobicContact CD2-CD2 3.36Å; L1233-L1243 HydrophobicContact CB-CB 4.02Å; L1233-L1243 HydrophobicContact CB-CD2 4.13Å; L1233-L1243 HydrophobicContact CD1-CD2 4.01Å; L1233-L1243 WeakPolarHBondContact O-CB 3.25Å; L1233-L1243 PolarHBondContact O-N 2.91Å; L1235-L1243 HydrophobicContact CD2-CD1 4.09Å; L1235-L1243 HydrophobicContact CG-CD1 4.46Å; L1243-S1247 VanDerWaalsContact CD1-OG 3.3Å; L1243-S1247 WeakPolarHBondContact CD1-OG 3.19Å; L1243-L1252 HydrophobicContact CD1-CD1 4.34Å; L1243-L1252 HydrophobicContact CD1-CD2 3.43Å; L1243-L1252 VanDerWaalsContact CD1-CD2 3.43Å; L1243-L1252 HydrophobicContact CD1-CG 4.47Å; L1243-L1257 HydrophobicContact CD1-CD2 4.43Å; L1243-L1257 HydrophobicContact CD2-CD1 4.23Å
1244P82.9Confident79.2Confident72 Ų7269.6 Ų69.647%0.46838%0.379SS..PPolyproline II helixtrans-66.9144.5176.6-21.233000112.2E1242 E1246 S1247E1242-P1244 VanDerWaalsContact O-CD 3.24Å; E1242-P1244 WeakPolarHBondContact O-CD 3.44Å; P1244-E1246 PolarHBondContact O-N 3.45Å; P1244-E1246 VanDerWaalsContact O-N 3.17Å; P1244-S1247 WeakPolarHBondContact CD-OG 3.42Å; P1244-S1247 WeakPolarHBondContact O-CB 3.44Å; P1244-S1247 PolarHBondContact O-N 3.29Å; P1244-S1247 PolarHBondContact O-OG 3.49Å
1245A77.9Confident79.3Confident76 Ų7673.1 Ų73.163%0.62840%0.395SS*.THydrogen-bonded Turntrans-61.3-24.8179.400000114.1H1213H1213-A1245 WeakPolarHBondContact CB-O 3.14Å
1246E75.3Confident79.5Confident193 Ų19371.4 Ų71.490%0.90239%0.386SS*.THydrogen-bonded Turntrans-93.414-178.8-59.9-176.8177.500113.6P1244 S1248P1244-E1246 PolarHBondContact O-N 3.45Å; P1244-E1246 VanDerWaalsContact O-N 3.17Å; E1246-S1248 PolarHBondContact O-N 2.79Å; E1246-S1248 VanDerWaalsContact O-N 3.13Å
1247S77.6Confident80.3Confident31 Ų3170 Ų7022%0.21738%0.379CS..  trans-64.7114.7-177.3-61.40000111.6L1243 P1244L1243-S1247 VanDerWaalsContact CD1-OG 3.3Å; L1243-S1247 WeakPolarHBondContact CD1-OG 3.19Å; P1244-S1247 WeakPolarHBondContact CD-OG 3.42Å; P1244-S1247 WeakPolarHBondContact O-CB 3.44Å; P1244-S1247 PolarHBondContact O-N 3.29Å; P1244-S1247 PolarHBondContact O-OG 3.49Å
1248S77.4Confident81.1Confident66 Ų6666.3 Ų66.346%0.46236%0.362SS..  trans-74.9153176.669.10000112.1E1246 K1250 S1251 L1252E1246-S1248 PolarHBondContact O-N 2.79Å; E1246-S1248 VanDerWaalsContact O-N 3.13Å; S1248-K1250 PolarHBondContact O-N 2.99Å; S1248-S1251 PolarHBondContact N-OG 2.86Å; S1248-S1251 WeakPolarHBondContact O-CA 3.49Å; S1248-S1251 WeakPolarHBondContact O-CB 3.47Å; S1248-S1251 PolarHBondContact O-N 3.37Å; S1248-S1251 PolarHBondContact O-OG 2.82Å; S1248-L1252 PolarHBondContact O-N 3.41Å
1249V75.1Confident82Confident13 Ų1360.1 Ų60.18%0.07933%0.333CS..Hα-helixtrans-54.9-36.1176.6164.70000113.2P1178 L1202 V1203 E1210 S1251 L1252 H1253P1178-V1249 HydrophobicContact CB-CG1 3.77Å; P1178-V1249 HydrophobicContact CG-CG1 4.05Å; L1202-V1249 HydrophobicContact CB-CG1 3.91Å; L1202-V1249 HydrophobicContact CB-CG2 3.96Å; L1202-V1249 HydrophobicContact CD1-CB 4.44Å; L1202-V1249 HydrophobicContact CD1-CG1 3.93Å; L1202-V1249 HydrophobicContact CD1-CG2 4.44Å; V1203-V1249 HydrophobicContact CG2-CG1 3.96Å; V1203-V1249 HydrophobicContact CG2-CG2 4.43Å; E1210-V1249 HydrophobicContact CG-CG2 3.53Å; E1210-V1249 WeakPolarHBondContact OE1-CB 3.45Å; E1210-V1249 WeakPolarHBondContact OE1-CG2 3.02Å; V1249-S1251 VanDerWaalsContact C-N 3.26Å; V1249-S1251 PolarHBondContact O-N 3.36Å; V1249-L1252 PolarHBondContact O-N 3.5Å; V1249-H1253 PolarHBondContact O-N 3.17Å
1250K75.1Confident82.6Confident201 Ų20163.2 Ų63.287%0.87434%0.343SS*.Hα-helixtrans-61.1-34.6175.2-71.4-174.3179.8179.50112.8S1248 L1252S1248-K1250 PolarHBondContact O-N 2.99Å; K1250-L1252 VanDerWaalsContact C-N 3.32Å
1251S81.4Confident83Confident47 Ų4758 Ų5833%0.32931%0.311SS..Hα-helixtrans-78.5-17.1-179.775.60000113.6S1248 V1249 K1255S1248-S1251 PolarHBondContact N-OG 2.86Å; S1248-S1251 WeakPolarHBondContact O-CA 3.49Å; S1248-S1251 WeakPolarHBondContact O-CB 3.47Å; S1248-S1251 PolarHBondContact O-N 3.37Å; S1248-S1251 PolarHBondContact O-OG 2.82Å; V1249-S1251 VanDerWaalsContact C-N 3.26Å; V1249-S1251 PolarHBondContact O-N 3.36Å; S1251-K1255 VanDerWaalsContact O-CD 3.29Å; S1251-K1255 WeakPolarHBondContact O-CD 3.45Å; S1251-K1255 WeakPolarHBondContact O-CE 3.31Å; S1251-K1255 PolarHBondContact O-NZ 3.1Å
1252L85.3Confident82.7Confident9 Ų958.3 Ų58.35%0.04731%0.306CS..Hα-helixtrans-105.6-20.2-176-65.7176.5000113.8V1180 L1202 L1216 L1235 L1243 S1248 V1249 K1250 T1254 K1255 L1257V1180-L1252 HydrophobicContact CG1-CB 3.86Å; V1180-L1252 WeakPolarHBondContact CG1-O 3.3Å; L1202-L1252 HydrophobicContact CD1-CB 3.79Å; L1216-L1252 HydrophobicContact CD2-CD1 4.42Å; L1235-L1252 HydrophobicContact CD2-CD2 4.32Å; L1243-L1252 HydrophobicContact CD1-CD1 4.34Å; L1243-L1252 HydrophobicContact CD1-CD2 3.43Å; L1243-L1252 VanDerWaalsContact CD1-CD2 3.43Å; L1243-L1252 HydrophobicContact CD1-CG 4.47Å; S1248-L1252 PolarHBondContact O-N 3.41Å; V1249-L1252 PolarHBondContact O-N 3.5Å; K1250-L1252 VanDerWaalsContact C-N 3.32Å; L1252-T1254 PolarHBondContact O-N 2.77Å; L1252-K1255 WeakPolarHBondContact O-CB 3.36Å; L1252-K1255 PolarHBondContact O-N 2.86Å; L1252-L1257 HydrophobicContact CD2-CD2 4.39Å
1253H86.9Confident81.7Confident81 Ų8158.9 Ų58.938%0.37532%0.317SS..THydrogen-bonded Turntrans-48.9129.1178.1-17539.8000111.7P1178 Y1179 V1249 K1255P1178-H1253 VanDerWaalsContact CA-ND1 3.29Å; P1178-H1253 WeakPolarHBondContact CA-ND1 3.23Å; P1178-H1253 HydrophobicContact CB-CB 4.23Å; Y1179-H1253 PolarHBondContact N-ND1 3.36Å; Y1179-H1253 CarbonylContact O-C 3.59Å; V1249-H1253 PolarHBondContact O-N 3.17Å; H1253-K1255 PolarHBondContact O-N 2.49Å
1254T85.4Confident80.3Confident77 Ų7761.8 Ų61.847%0.47234%0.335SS..THydrogen-bonded Turntrans65.45-179.3740000116.5Y1179 L1252Y1179-T1254 HydrophobicContact CE1-CG2 3.96Å; Y1179-T1254 PolarHBondContact O-N 2.98Å; L1252-T1254 PolarHBondContact O-N 2.77Å
1255K88.4Confident78.7Confident91 Ų9165.4 Ų65.440%0.39636%0.356SS..  trans-77.2156.3175.6-68.2-168.4174.2165.80112.4V1180 N1181 L1235 S1251 L1252 H1253V1180-K1255 CarbonylContact C-O 3.48Å; V1180-K1255 VanDerWaalsContact CA-O 3.3Å; V1180-K1255 WeakPolarHBondContact CA-O 3.49Å; N1181-K1255 PolarHBondContact N-O 3.42Å; L1235-K1255 HydrophobicContact CD2-CD 4.06Å; S1251-K1255 VanDerWaalsContact O-CD 3.29Å; S1251-K1255 WeakPolarHBondContact O-CD 3.45Å; S1251-K1255 WeakPolarHBondContact O-CE 3.31Å; S1251-K1255 PolarHBondContact O-NZ 3.1Å; L1252-K1255 WeakPolarHBondContact O-CB 3.36Å; L1252-K1255 PolarHBondContact O-N 2.86Å; H1253-K1255 PolarHBondContact O-N 2.49Å
1256T88.6Confident77Confident13 Ų1366.3 Ų66.38%0.0836%0.363CS..EExtended strand (participates in β ladder)trans-103.4127.4167.7-57.40000108.9N1181 L1183 F1258N1181-T1256 HydrophobicContact CB-CG2 4.16Å; N1181-T1256 CarbonylContact O-C 3.51Å; N1181-T1256 WeakPolarHBondContact O-CA 3.35Å; L1183-T1256 HydrophobicContact CD1-CG2 3.41Å; L1183-T1256 VanDerWaalsContact CD1-CG2 3.41Å; L1183-T1256 HydrophobicContact CG-CG2 3.73Å; T1256-F1258 HydrophobicContact CG2-CE2 4.46Å; T1256-F1258 HydrophobicContact CG2-CZ 4.31Å
1257L90Very high75.5Confident0 Ų064.5 Ų64.50%036%0.355CS..EExtended strand (participates in β ladder)trans-108.3141.8175.2-52.6176.2000110.3V1180 N1181 L1182 L1183 L1216 L1233 Y1234 L1235 L1243 L1252V1180-L1257 HydrophobicContact CB-CD1 4.3Å; V1180-L1257 HydrophobicContact CB-CG 4.43Å; V1180-L1257 HydrophobicContact CG1-CD1 4.2Å; V1180-L1257 HydrophobicContact CG1-CG 4.41Å; V1180-L1257 HydrophobicContact CG2-CD1 4.22Å; N1181-L1257 PolarHBondContact O-N 3.11Å; L1182-L1257 WeakPolarHBondContact CA-O 3.49Å; L1182-L1257 HydrophobicContact CD2-CB 3.77Å; L1182-L1257 HydrophobicContact CD2-CD1 4.15Å; L1182-L1257 HydrophobicContact CD2-CG 4.39Å; L1183-L1257 PolarHBondContact N-O 2.67Å; L1216-L1257 HydrophobicContact CD2-CD1 3.75Å; L1233-L1257 HydrophobicContact CD1-CD1 4.3Å; Y1234-L1257 CarbonylContact O-C 3.54Å; Y1234-L1257 VanDerWaalsContact O-CA 3.25Å; Y1234-L1257 WeakPolarHBondContact O-CA 3.36Å; L1235-L1257 HydrophobicContact CD2-CD2 3.6Å; L1235-L1257 HydrophobicContact CG-CD2 4.5Å; L1243-L1257 HydrophobicContact CD1-CD2 4.43Å; L1243-L1257 HydrophobicContact CD2-CD1 4.23Å; L1252-L1257 HydrophobicContact CD2-CD2 4.39Å
1258F87.8Confident73.3Confident13 Ų1370.3 Ų70.36%0.05741%0.405CS..EExtended strand (participates in β ladder)trans-101.5123.6179.4-60.2-93000109.3L1183 W1185 L1233 Y1234 D1236 H1237 L1239 T1256L1183-F1258 HydrophobicContact CB-CD1 4.13Å; L1183-F1258 HydrophobicContact CB-CE1 4.36Å; L1183-F1258 HydrophobicContact CD1-CD1 4.27Å; L1183-F1258 HydrophobicContact CD1-CE1 3.66Å; L1183-F1258 HydrophobicContact CD1-CZ 4.17Å; W1185-F1258 HydrophobicContact CE3-CD1 4.24Å; L1233-F1258 CarbonylContact C-O 3.56Å; L1233-F1258 WeakPolarHBondContact CA-O 3.38Å; Y1234-F1258 PolarHBondContact N-O 2.96Å; Y1234-F1258 PolarHBondContact O-N 3.2Å; D1236-F1258 VanDerWaalsContact C-CE2 3.44Å; D1236-F1258 VanDerWaalsContact O-CD2 3.31Å; D1236-F1258 WeakPolarHBondContact O-CD2 3.27Å; H1237-F1258 HydrophobicContact CB-CD1 4.07Å; H1237-F1258 HydrophobicContact CB-CE1 3.51Å; H1237-F1258 HydrophobicContact CB-CE2 4.1Å; H1237-F1258 HydrophobicContact CB-CZ 3.54Å; H1237-F1258 VanDerWaalsContact N-CE2 3.33Å; L1239-F1258 HydrophobicContact CD2-CB 3.92Å; T1256-F1258 HydrophobicContact CG2-CE2 4.46Å; T1256-F1258 HydrophobicContact CG2-CZ 4.31Å
1259V88.1Confident73.1Confident0 Ų070.5 Ų70.50%040%0.402CS..EExtended strand (participates in β ladder)trans-93.7112.8-177.1-170.60000109.2L1182 L1183 L1184 W1185 F1224 L1226 I1231 L1233L1182-V1259 HydrophobicContact CB-CG2 4.18Å; L1182-V1259 HydrophobicContact CD1-CG2 4.4Å; L1182-V1259 HydrophobicContact CD2-CG2 4.32Å; L1183-V1259 PolarHBondContact O-N 3.45Å; L1184-V1259 HydrophobicContact CD1-CB 4.19Å; L1184-V1259 HydrophobicContact CD1-CG1 4.24Å; W1185-V1259 PolarHBondContact N-O 3.34Å; F1224-V1259 HydrophobicContact CD2-CG2 4.42Å; F1224-V1259 HydrophobicContact CE2-CG2 3.91Å; L1226-V1259 HydrophobicContact CD1-CG1 4.48Å; I1231-V1259 HydrophobicContact CB-CG1 4.25Å; I1231-V1259 HydrophobicContact CD1-CG1 4.06Å; I1231-V1259 HydrophobicContact CG2-CG1 4.43Å; L1233-V1259 HydrophobicContact CD2-CB 4.3Å; L1233-V1259 HydrophobicContact CD2-CG1 4.29Å; L1233-V1259 HydrophobicContact CD2-CG2 3.68Å
1260R85.5Confident73Confident89 Ų8973.5 Ų73.534%0.33642%0.419SS..EExtended strand (participates in β ladder)trans-100.1126.4172.9-168.1-171.8-174.3161.4-3.3110N1186 I1231 K1232 Y1234 L1239 F1262N1186-R1260 WeakPolarHBondContact OD1-CA 3.32Å; I1231-R1260 CarbonylContact C-O 3.5Å; I1231-R1260 VanDerWaalsContact CA-O 3.28Å; I1231-R1260 WeakPolarHBondContact CA-O 3.45Å; K1232-R1260 PolarHBondContact N-O 3.27Å; K1232-R1260 PolarHBondContact O-N 2.88Å; Y1234-R1260 HydrophobicContact CD2-CB 4.11Å; Y1234-R1260 HydrophobicContact CE2-CB 3.69Å; L1239-R1260 HydrophobicContact CD1-CB 4.31Å; L1239-R1260 HydrophobicContact CD1-CG 3.99Å; L1239-R1260 HydrophobicContact CD2-CB 4.38Å; R1260-F1262 HydrophobicContact CG-CE2 4.4Å
1261V82Confident72.9Confident7 Ų766.4 Ų66.44%0.04239%0.394CS..EExtended strand (participates in β ladder)trans-96.6131.3175.1-168.60000109.1L1184 N1186 A1187 L1226 R1229 I1231L1184-V1261 HydrophobicContact CD1-CG2 3.97Å; N1186-V1261 PolarHBondContact ND2-O 3.19Å; N1186-V1261 PolarHBondContact OD1-N 3.48Å; A1187-V1261 HydrophobicContact CB-CB 4.01Å; A1187-V1261 HydrophobicContact CB-CG2 3.53Å; L1226-V1261 HydrophobicContact CD1-CG2 3.73Å; L1226-V1261 HydrophobicContact CD2-CG2 4.31Å; R1229-V1261 HydrophobicContact CB-CG1 4.02Å; R1229-V1261 HydrophobicContact CG-CG1 4.47Å; I1231-V1261 HydrophobicContact CG2-CG1 4.41Å; I1231-V1261 HydrophobicContact CG2-CG2 4.17Å
1262F75.3Confident72.4Confident57 Ų5767.6 Ų67.625%0.2540%0.397CS..PPolyproline II helixtrans-95.5145.2175-70.7-94.1000110.6R1230 K1232 R1260R1230-F1262 HydrophobicContact CB-CB 4.37Å; R1230-F1262 PolarHBondContact O-N 3.33Å; K1232-F1262 HydrophobicContact CB-CE2 3.87Å; K1232-F1262 HydrophobicContact CD-CE2 3.57Å; K1232-F1262 HydrophobicContact CD-CZ 3.74Å; K1232-F1262 HydrophobicContact CG-CD2 4.44Å; K1232-F1262 HydrophobicContact CG-CE2 3.61Å; K1232-F1262 HydrophobicContact CG-CZ 4.31Å; R1260-F1262 HydrophobicContact CG-CE2 4.4Å
1263P64.8Low71.6Confident95 Ų9571.3 Ų71.362%0.61742%0.419SS*.PPolyproline II helixtrans-61.6141.2173.323.8-30.3000110.4
1264T55.6Low70.6Confident66 Ų6670.6 Ų70.641%0.40542%0.422SS..PPolyproline II helixtrans-79.2148170.139.70000109.3A1266 E1267T1264-A1266 PolarHBondContact O-N 3.44Å; T1264-E1267 PolarHBondContact O-N 3.3Å
1265T49.1Very low69.6Low149 Ų14970.1 Ų70.191%0.91442%0.419SS*.THydrogen-bonded Turntrans-58.37.3-175.541.20000116.4
1266A43.3Very low68.1Low94 Ų9468.5 Ų68.578%0.77742%0.421SS*.THydrogen-bonded Turntrans-96.4-4.8171.500000113.6T1264T1264-A1266 PolarHBondContact O-N 3.44Å
1267E43Very low66.4Low155 Ų15573.2 Ų73.272%0.72445%0.449SS*.  trans-132.636.5-178.3-66.4179.8159.100112.3T1264T1264-E1267 PolarHBondContact O-N 3.3Å
1268A32.5Very low64.3Low153 Ų15379.8 Ų79.8100%1.26449%0.49SS*.  trans-120.90174.600000111.4

Retrieved 1,268 of 1,268 residues in 838.3 ms (Link to these results)

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