A0A087XGK3_POEFO Loading...

Endophilin-B2

AlphaFold DB , UniProt , Accession A0A087XGK3, Species POEFO (Poecilia formosa, Amazon molly), Gene SH3GLB2, Length 391 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
1M40.5Very low52.4Low236 Ų236125.3 Ų125.3100%1.16366%0.658SS**  092.30-67.9-171.9-151.700106.4F3M1-F3 PolarHBondContact O-N 2.93Å; M1-F3 VanDerWaalsContact O-N 3.16Å
2D42.3Very low53.4Low166 Ų166119.8 Ų119.889%0.88865%0.645SS**  trans-77.1104.6179.7-70.1-22.1000108.8N4D2-N4 PolarHBondContact O-N 3.23Å; D2-N4 VanDerWaalsContact O-N 3.13Å
3F51.4Low54.8Low173 Ų173113.3 Ų113.376%0.75962%0.623SS**  trans-64.1111.5174.6-141.6-95.8000107.6M1 V5M1-F3 PolarHBondContact O-N 2.93Å; M1-F3 VanDerWaalsContact O-N 3.16Å; F3-V5 VanDerWaalsContact C-N 3.27Å; F3-V5 WeakPolarHBondContact O-CG2 2.86Å; F3-V5 PolarHBondContact O-N 2.72Å
4N51.8Low56.2Low98 Ų98111.7 Ų111.752%0.52461%0.613SS.*  trans-80.274.6-170.5-162.2-19.6000110.9D2 K6 K7 L8D2-N4 PolarHBondContact O-N 3.23Å; D2-N4 VanDerWaalsContact O-N 3.13Å; N4-K6 PolarHBondContact O-N 2.7Å; N4-K6 VanDerWaalsContact O-N 3.15Å; N4-K7 HydrophobicContact CB-CB 4.06Å; N4-K7 PolarHBondContact O-N 2.63Å; N4-K7 PolarHBondContact OD1-N 3.11Å; N4-L8 PolarHBondContact O-N 3.2Å; N4-L8 VanDerWaalsContact O-N 3.13Å
5V57.4Low57.5Low101 Ų101113.3 Ų113.361%0.61261%0.611SS**Hα-helixtrans-55.7-30179.9-173.30000111.6F3 L8 A9F3-V5 VanDerWaalsContact C-N 3.27Å; F3-V5 WeakPolarHBondContact O-CG2 2.86Å; F3-V5 PolarHBondContact O-N 2.72Å; V5-L8 PolarHBondContact O-N 3.5Å; V5-A9 WeakPolarHBondContact O-CB 3.16Å; V5-A9 PolarHBondContact O-N 3.26Å
6K51.3Low58.8Low176 Ų176115.6 Ų115.677%0.76561%0.614SS**Hα-helixtrans-68-37.8174.7-72.4-175.2176.9-179.40113N4 S10N4-K6 PolarHBondContact O-N 2.7Å; N4-K6 VanDerWaalsContact O-N 3.15Å; K6-S10 WeakPolarHBondContact O-CB 3.42Å; K6-S10 PolarHBondContact O-N 3.3Å; K6-S10 PolarHBondContact O-OG 3.1Å
7K54.9Low60.1Low153 Ų153112.4 Ų112.467%0.66560%0.6SS**Hα-helixtrans-70.4-34.5174.5-163.1176.8-178.3-179.50111.5N4 S10 G11N4-K7 HydrophobicContact CB-CB 4.06Å; N4-K7 PolarHBondContact O-N 2.63Å; N4-K7 PolarHBondContact OD1-N 3.11Å; K7-S10 WeakPolarHBondContact CA-OG 3.4Å; K7-S10 PolarHBondContact O-OG 3.12Å; K7-S10 VanDerWaalsContact O-OG 3.13Å; K7-G11 PolarHBondContact O-N 3.42Å
8L52.4Low61.4Low120 Ų120108.4 Ų108.463%0.62858%0.576SS**Hα-helixtrans-68.3-44.2174.7-151.694.5000111.8N4 V5 G11 A12N4-L8 PolarHBondContact O-N 3.2Å; N4-L8 VanDerWaalsContact O-N 3.13Å; V5-L8 PolarHBondContact O-N 3.5Å; L8-G11 PolarHBondContact O-N 2.91Å; L8-A12 WeakPolarHBondContact O-CB 3.46Å; L8-A12 PolarHBondContact O-N 3.43Å
9A54.3Low62.1Low64 Ų64105.5 Ų105.553%0.52957%0.568SS.*Hα-helixtrans-69.1-39.3179.100000113V5 A12 G13V5-A9 WeakPolarHBondContact O-CB 3.16Å; V5-A9 PolarHBondContact O-N 3.26Å; A9-A12 PolarHBondContact O-N 2.98Å; A9-G13 PolarHBondContact O-N 3.23Å
10S60.7Low63.1Low69 Ų69102.7 Ų102.748%0.48355%0.554SS.*Hα-helixtrans-67.8-39.1173.449.50000112.3K6 K7 G13 L14K6-S10 WeakPolarHBondContact O-CB 3.42Å; K6-S10 PolarHBondContact O-N 3.3Å; K6-S10 PolarHBondContact O-OG 3.1Å; K7-S10 WeakPolarHBondContact CA-OG 3.4Å; K7-S10 PolarHBondContact O-OG 3.12Å; K7-S10 VanDerWaalsContact O-OG 3.13Å; S10-G13 PolarHBondContact O-N 3.42Å; S10-L14 WeakPolarHBondContact O-CG 3.48Å; S10-L14 PolarHBondContact O-N 3.3Å; S10-L14 VanDerWaalsContact O-N 3.12Å
11G59.2Low63.9Low22 Ų2298.2 Ų98.223%0.22753%0.53CS..Hα-helixtrans-60.8-47.5171.900000112.4K7 L8 G13 L14 F15K7-G11 PolarHBondContact O-N 3.42Å; L8-G11 PolarHBondContact O-N 2.91Å; G11-G13 VanDerWaalsContact C-N 3.31Å; G11-G13 PolarHBondContact O-N 3.47Å; G11-L14 PolarHBondContact O-N 3.19Å; G11-F15 WeakPolarHBondContact O-CD2 3.29Å; G11-F15 PolarHBondContact O-N 3.39Å
12A64.5Low65.5Low60 Ų6091.9 Ų91.950%0.49649%0.494SS..Hα-helixtrans-62-36.8177.100000112.8L8 A9 F15 F16L8-A12 WeakPolarHBondContact O-CB 3.46Å; L8-A12 PolarHBondContact O-N 3.43Å; A9-A12 PolarHBondContact O-N 2.98Å; A12-F15 PolarHBondContact O-N 3.45Å; A12-F16 PolarHBondContact O-N 3.32Å
13G71.1Confident66.9Low35 Ų3587.4 Ų87.436%0.36147%0.473SS..Hα-helixtrans-60.5-46.317300000112.5A9 S10 G11 F16 T17A9-G13 PolarHBondContact O-N 3.23Å; S10-G13 PolarHBondContact O-N 3.42Å; G11-G13 VanDerWaalsContact C-N 3.31Å; G11-G13 PolarHBondContact O-N 3.47Å; G13-F16 PolarHBondContact O-N 2.89Å; G13-T17 PolarHBondContact O-N 3.29Å; G13-T17 PolarHBondContact O-OG1 3.41Å; G13-T17 VanDerWaalsContact O-OG1 3.05Å
14L74.4Confident68Low91 Ų9182.6 Ų82.648%0.47645%0.453SS..Hα-helixtrans-63.8-42.7176.9-70.5169000112.3S10 G11 F16 T17 R18S10-L14 WeakPolarHBondContact O-CG 3.48Å; S10-L14 PolarHBondContact O-N 3.3Å; S10-L14 VanDerWaalsContact O-N 3.12Å; G11-L14 PolarHBondContact O-N 3.19Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 2.99Å; L14-T17 PolarHBondContact O-N 3.07Å; L14-R18 WeakPolarHBondContact O-CG 3.3Å; L14-R18 PolarHBondContact O-N 2.76Å
15F76Confident69.3Low136 Ų13679 Ų7960%0.59643%0.433SS*.Hα-helixtrans-61-41.2175.7-77.2-68.8000112.4G11 A12 R18 A19G11-F15 WeakPolarHBondContact O-CD2 3.29Å; G11-F15 PolarHBondContact O-N 3.39Å; A12-F15 PolarHBondContact O-N 3.45Å; F15-R18 PolarHBondContact O-N 2.96Å; F15-A19 WeakPolarHBondContact O-CB 3.45Å; F15-A19 PolarHBondContact O-N 2.95Å
16F78.5Confident70.1Confident149 Ų14980.8 Ų80.865%0.65443%0.432SS*.Hα-helixtrans-65.8-44.8176.5-173.7-97.4000111.4A12 G13 L14 R18 A19 V20A12-F16 PolarHBondContact O-N 3.32Å; G13-F16 PolarHBondContact O-N 2.89Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 2.99Å; F16-R18 VanDerWaalsContact C-N 3.35Å; F16-R18 PolarHBondContact O-N 3.23Å; F16-A19 PolarHBondContact O-N 3.06Å; F16-V20 HydrophobicContact CD1-CG2 3.95Å; F16-V20 HydrophobicContact CE1-CG2 3.57Å; F16-V20 HydrophobicContact CE2-CG2 4.45Å; F16-V20 HydrophobicContact CZ-CG2 3.86Å; F16-V20 WeakPolarHBondContact O-CG2 3.45Å; F16-V20 PolarHBondContact O-N 3.4Å
17T80.3Confident70.9Confident62 Ų6277.9 Ų77.938%0.3843%0.425SS..Hα-helixtrans-59.3-44176.1-590000112G13 L14 A19 V20 Q21 A175G13-T17 PolarHBondContact O-N 3.29Å; G13-T17 PolarHBondContact O-OG1 3.41Å; G13-T17 VanDerWaalsContact O-OG1 3.05Å; L14-T17 PolarHBondContact O-N 3.07Å; T17-A19 PolarHBondContact O-N 3.39Å; T17-V20 PolarHBondContact O-N 2.97Å; T17-Q21 WeakPolarHBondContact O-CB 3.31Å; T17-Q21 PolarHBondContact O-N 2.92Å; T17-A175 HydrophobicContact CG2-CB 3.59Å
18R83.4Confident71.6Confident41 Ų4173.8 Ų73.816%0.15543%0.426CS..Hα-helixtrans-61-43.7174.5-72.5176.4-172.1166.90.5112.4L14 F15 F16 Q21 Y22 L171 D172L14-R18 WeakPolarHBondContact O-CG 3.3Å; L14-R18 PolarHBondContact O-N 2.76Å; F15-R18 PolarHBondContact O-N 2.96Å; F16-R18 VanDerWaalsContact C-N 3.35Å; F16-R18 PolarHBondContact O-N 3.23Å; R18-Q21 PolarHBondContact O-N 3.23Å; R18-Y22 WeakPolarHBondContact O-CB 3.49Å; R18-Y22 PolarHBondContact O-N 3.39Å; R18-L171 HydrophobicContact CB-CB 4.32Å; R18-L171 HydrophobicContact CB-CD1 4.13Å; R18-L171 HydrophobicContact CG-CB 4.06Å; R18-D172 WeakPolarHBondContact CG-OD1 3.11Å; R18-D172 IonicContact CZ-OD1 3.67Å; R18-D172 IonicContact CZ-OD2 3.38Å; R18-D172 IonicContact NE-OD1 2.79Å; R18-D172 PolarHBondContact NE-OD1 3.27Å; R18-D172 IonicContact NE-OD2 3.25Å; R18-D172 PolarHBondContact NE-OD2 2.98Å; R18-D172 IonicContact NH2-OD1 3.68Å; R18-D172 IonicContact NH2-OD2 2.69Å; R18-D172 PolarHBondContact NH2-OD2 3.29Å
19A75.6Confident71.9Confident52 Ų5275 Ų7543%0.4343%0.428SS..Hα-helixtrans-63.4-44.317900000111.6F15 F16 T17 Y22 T23F15-A19 WeakPolarHBondContact O-CB 3.45Å; F15-A19 PolarHBondContact O-N 2.95Å; F16-A19 PolarHBondContact O-N 3.06Å; T17-A19 PolarHBondContact O-N 3.39Å; A19-Y22 PolarHBondContact O-N 3.02Å; A19-T23 WeakPolarHBondContact O-CG2 3.25Å; A19-T23 PolarHBondContact O-N 3.46Å; A19-T23 PolarHBondContact O-OG1 3.36Å
20V81.7Confident72.4Confident49 Ų4973.2 Ų73.230%0.29741%0.413SS..Hα-helixtrans-59.8-50.5175.4171.30000110.5F16 T17 Y22 T23 E24F16-V20 HydrophobicContact CD1-CG2 3.95Å; F16-V20 HydrophobicContact CE1-CG2 3.57Å; F16-V20 HydrophobicContact CE2-CG2 4.45Å; F16-V20 HydrophobicContact CZ-CG2 3.86Å; F16-V20 WeakPolarHBondContact O-CG2 3.45Å; F16-V20 PolarHBondContact O-N 3.4Å; T17-V20 PolarHBondContact O-N 2.97Å; V20-Y22 VanDerWaalsContact C-N 3.34Å; V20-Y22 PolarHBondContact O-N 3.42Å; V20-T23 WeakPolarHBondContact CA-OG1 3.33Å; V20-T23 PolarHBondContact O-N 3.31Å; V20-T23 VanDerWaalsContact O-N 3.13Å; V20-T23 PolarHBondContact O-OG1 3.05Å; V20-E24 HydrophobicContact CG1-CG 4.41Å; V20-E24 WeakPolarHBondContact O-CG 3.21Å; V20-E24 PolarHBondContact O-N 3.46Å
21Q79.9Confident72.5Confident9 Ų977.9 Ų77.94%0.04243%0.428CS..Hα-helixtrans-58.2-46178.6-175.961.442.100111.9T17 R18 T23 E24 E25 A30 L171 D174T17-Q21 WeakPolarHBondContact O-CB 3.31Å; T17-Q21 PolarHBondContact O-N 2.92Å; R18-Q21 PolarHBondContact O-N 3.23Å; Q21-T23 VanDerWaalsContact C-N 3.31Å; Q21-T23 PolarHBondContact O-N 3.24Å; Q21-E24 PolarHBondContact O-N 2.72Å; Q21-E25 PolarHBondContact O-N 3.39Å; Q21-A30 VanDerWaalsContact NE2-CB 3.34Å; Q21-L171 HydrophobicContact CB-CD2 4.32Å; Q21-L171 HydrophobicContact CG-CB 4.49Å; Q21-L171 HydrophobicContact CG-CD2 3.96Å; Q21-D174 HydrophobicContact CG-CB 4.05Å
22Y74.1Confident73.2Confident104 Ų10482.1 Ų82.141%0.40844%0.437SS..Hα-helixtrans-59.7-42177.2-178.5-94.2000112R18 A19 V20 K26 L171R18-Y22 WeakPolarHBondContact O-CB 3.49Å; R18-Y22 PolarHBondContact O-N 3.39Å; A19-Y22 PolarHBondContact O-N 3.02Å; V20-Y22 VanDerWaalsContact C-N 3.34Å; V20-Y22 PolarHBondContact O-N 3.42Å; Y22-K26 HydrophobicContact CD1-CG 4.35Å; Y22-K26 HydrophobicContact CE1-CG 3.99Å; Y22-K26 VanDerWaalsContact CZ-CE 3.48Å; Y22-K26 WeakPolarHBondContact O-CG 3.46Å; Y22-K26 PolarHBondContact O-N 3.46Å; Y22-K26 VanDerWaalsContact O-N 3.14Å; Y22-K26 WeakPolarHBondContact OH-CE 3.42Å; Y22-L171 HydrophobicContact CD2-CD2 4.47Å
23T72.5Confident73.7Confident72 Ų7280.2 Ų80.244%0.44242%0.419SS..Hα-helixtrans-65.3-43.4175.853.40000111.8A19 V20 Q21 E25 K26 L27A19-T23 WeakPolarHBondContact O-CG2 3.25Å; A19-T23 PolarHBondContact O-N 3.46Å; A19-T23 PolarHBondContact O-OG1 3.36Å; V20-T23 WeakPolarHBondContact CA-OG1 3.33Å; V20-T23 PolarHBondContact O-N 3.31Å; V20-T23 VanDerWaalsContact O-N 3.13Å; V20-T23 PolarHBondContact O-OG1 3.05Å; Q21-T23 VanDerWaalsContact C-N 3.31Å; Q21-T23 PolarHBondContact O-N 3.24Å; T23-E25 VanDerWaalsContact C-N 3.34Å; T23-E25 PolarHBondContact O-N 3.11Å; T23-K26 PolarHBondContact O-N 3.32Å; T23-K26 VanDerWaalsContact O-N 3.16Å; T23-L27 WeakPolarHBondContact O-CD1 3.25Å; T23-L27 PolarHBondContact O-N 3.06Å
24E74.4Confident73.7Confident72 Ų7286.8 Ų86.834%0.33644%0.44SS..Hα-helixtrans-64.1-37.2179.6-70.6-179.9175.500112.3V20 Q21 L27 G28 Q29 A30V20-E24 HydrophobicContact CG1-CG 4.41Å; V20-E24 WeakPolarHBondContact O-CG 3.21Å; V20-E24 PolarHBondContact O-N 3.46Å; Q21-E24 PolarHBondContact O-N 2.72Å; E24-L27 PolarHBondContact O-N 2.69Å; E24-G28 PolarHBondContact O-N 3.17Å; E24-Q29 HydrophobicContact CB-CB 4.44Å; E24-Q29 PolarHBondContact O-N 2.99Å; E24-A30 HydrophobicContact CB-CB 3.78Å; E24-A30 PolarHBondContact O-N 3.14Å
25E79.1Confident73.8Confident23 Ų2384.2 Ų84.211%0.10743%0.427CS..Hα-helixtrans-62.3-45.2171.6-76178.5-149.500111.8Q21 T23 L27 G28 A30 R32 R170 L171Q21-E25 PolarHBondContact O-N 3.39Å; T23-E25 VanDerWaalsContact C-N 3.34Å; T23-E25 PolarHBondContact O-N 3.11Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.04Å; E25-G28 PolarHBondContact O-N 3.43Å; E25-A30 HydrophobicContact CG-CB 4.25Å; E25-R32 HydrophobicContact CG-CB 4.47Å; E25-R32 IonicContact OE2-NH1 3.71Å; E25-R32 PolarHBondContact OE2-NH1 2.85Å; E25-R170 IonicContact OE1-NE 2.64Å; E25-R170 IonicContact OE1-NH2 2.65Å; E25-R170 PolarHBondContact OE1-NH2 2.82Å; E25-R170 IonicContact OE2-CZ 3.91Å; E25-R170 IonicContact OE2-NE 3.48Å; E25-R170 IonicContact OE2-NH2 3.47Å; E25-R170 PolarHBondContact OE2-NH2 3Å; E25-L171 WeakPolarHBondContact OE1-CD2 3.47Å
26K74.2Confident74.2Confident137 Ų13781.9 Ų81.960%0.59642%0.42SS*.Hα-helixtrans-67.2-29.6179.5-68.9-62.6-177.4-175.90113.1Y22 T23 G28Y22-K26 HydrophobicContact CD1-CG 4.35Å; Y22-K26 HydrophobicContact CE1-CG 3.99Å; Y22-K26 VanDerWaalsContact CZ-CE 3.48Å; Y22-K26 WeakPolarHBondContact O-CG 3.46Å; Y22-K26 PolarHBondContact O-N 3.46Å; Y22-K26 VanDerWaalsContact O-N 3.14Å; Y22-K26 WeakPolarHBondContact OH-CE 3.42Å; T23-K26 PolarHBondContact O-N 3.32Å; T23-K26 VanDerWaalsContact O-N 3.16Å; K26-G28 VanDerWaalsContact C-N 3.27Å
27L66.6Low74.6Confident116 Ų11678.9 Ų78.961%0.60742%0.423SS*.THydrogen-bonded Turntrans-82.2-1.6172.7-82.890.8000113.2T23 E24 E25 Q29T23-L27 WeakPolarHBondContact O-CD1 3.25Å; T23-L27 PolarHBondContact O-N 3.06Å; E24-L27 PolarHBondContact O-N 2.69Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.04Å; L27-Q29 HydrophobicContact CB-CG 4.15Å; L27-Q29 PolarHBondContact O-N 3.35Å
28G69.7Low75.1Confident67 Ų6780.1 Ų80.169%0.69143%0.425SS*.THydrogen-bonded Turntrans70.816.5-178.100000114.1E24 E25 K26E24-G28 PolarHBondContact O-N 3.17Å; E25-G28 PolarHBondContact O-N 3.43Å; K26-G28 VanDerWaalsContact C-N 3.27Å
29Q60.6Low75.3Confident146 Ų14678.6 Ų78.668%0.68242%0.419SS*.  trans-92.4-15.8-177.8-66-177-10.300112.9E24 L27E24-Q29 HydrophobicContact CB-CB 4.44Å; E24-Q29 PolarHBondContact O-N 2.99Å; L27-Q29 HydrophobicContact CB-CG 4.15Å; L27-Q29 PolarHBondContact O-N 3.35Å
30A64.1Low76Confident26 Ų2680.3 Ų80.322%0.21542%0.418CS..SBendtrans-123.5142.7176.400000112.3Q21 E24 E25Q21-A30 VanDerWaalsContact NE2-CB 3.34Å; E24-A30 HydrophobicContact CB-CB 3.78Å; E24-A30 PolarHBondContact O-N 3.14Å; E25-A30 HydrophobicContact CG-CB 4.25Å
31E63.1Low76.5Confident167 Ų16782.9 Ų82.978%0.7843%0.43SS*.  trans-72.6135.5172.3-72.4172.4-169.700109.8
32R72.6Confident77.1Confident111 Ų11182.8 Ų82.842%0.41943%0.43SS..  trans-97.1134.4178.9178.8-177.9173.6102.7-4.6109.3E25 E34 R170E25-R32 HydrophobicContact CG-CB 4.47Å; E25-R32 IonicContact OE2-NH1 3.71Å; E25-R32 PolarHBondContact OE2-NH1 2.85Å; R32-E34 PolarHBondContact O-N 3.29Å; R32-E34 VanDerWaalsContact O-N 3.07Å; R32-R170 VanDerWaalsContact NH1-CZ 3.33Å; R32-R170 VanDerWaalsContact NH1-NH1 3.17Å; R32-R170 VanDerWaalsContact NH1-NH2 3.17Å
33T75.9Confident77.9Confident20 Ų2079.3 Ų79.312%0.12342%0.418CS..  trans-65.5110.8166.9-66.90000109.7R170 L173 D174 K177 F232T33-R170 HydrophobicContact CG2-CG 4.43Å; T33-R170 WeakPolarHBondContact O-CD 3.36Å; T33-L173 HydrophobicContact CG2-CD2 4.49Å; T33-D174 PolarHBondContact N-OD2 2.7Å; T33-D174 PolarHBondContact OG1-OD1 3.08Å; T33-K177 PolarHBondContact OG1-NZ 3.14Å; T33-F232 HydrophobicContact CG2-CE1 4.21Å; T33-F232 HydrophobicContact CG2-CZ 4.12Å
34E71.4Confident78.9Confident173 Ų17379.8 Ų79.881%0.80842%0.424SS*.PPolyproline II helixtrans-74.9136.4176.8-64.9-177.4175.800110.6R32R32-E34 PolarHBondContact O-N 3.29Å; R32-E34 VanDerWaalsContact O-N 3.07Å
35L76.1Confident79.8Confident36 Ų3680 Ų8019%0.18842%0.422CS..PPolyproline II helixtrans-85150.3168.8-63.5165000108.3F39 E40 F232L35-F39 HydrophobicContact CB-CB 4.45Å; L35-F39 HydrophobicContact CB-CD1 4.04Å; L35-F39 HydrophobicContact CD1-CD1 3.7Å; L35-F39 HydrophobicContact CD1-CE1 3.74Å; L35-F39 HydrophobicContact CD2-CD1 4.16Å; L35-F39 HydrophobicContact CD2-CE1 4.31Å; L35-F39 HydrophobicContact CG-CD1 4.17Å; L35-E40 HydrophobicContact CB-CG 4.3Å; L35-F232 HydrophobicContact CD2-CZ 3.95Å
36D84.5Confident80.6Confident87 Ų8778.9 Ų78.947%0.46542%0.417SS..PPolyproline II helixtrans-65.2157.5179.575.29.1000111.8H38 F39 E40D36-H38 PolarHBondContact O-N 2.97Å; D36-H38 VanDerWaalsContact O-N 3.14Å; D36-H38 PolarHBondContact OD1-N 3.3Å; D36-F39 PolarHBondContact O-N 2.93Å; D36-F39 VanDerWaalsContact O-N 3.13Å; D36-F39 WeakPolarHBondContact OD1-CB 3.38Å; D36-F39 PolarHBondContact OD1-N 3.48Å; D36-E40 PolarHBondContact O-N 3.34Å; D36-E40 VanDerWaalsContact O-N 3.08Å
37A86.8Confident81.5Confident87 Ų8775.7 Ų75.772%0.71941%0.406SS*.Hα-helixtrans-60.5-27.8-176.600000113.1N41A37-N41 WeakPolarHBondContact O-CB 3.39Å; A37-N41 PolarHBondContact O-N 3.16Å; A37-N41 VanDerWaalsContact O-N 3.13Å
38H90Very high82.9Confident88 Ų8873.2 Ų73.241%0.40740%0.397SS..Hα-helixtrans-69.1-46.1176.9176.1-94.1000111.3D36 N41 L42 R240 E244D36-H38 PolarHBondContact O-N 2.97Å; D36-H38 VanDerWaalsContact O-N 3.14Å; D36-H38 PolarHBondContact OD1-N 3.3Å; H38-N41 WeakPolarHBondContact O-CB 3.41Å; H38-N41 PolarHBondContact O-N 3.48Å; H38-L42 VanDerWaalsContact CE1-CD1 3.41Å; H38-L42 WeakPolarHBondContact CE1-CD1 3.15Å; H38-L42 WeakPolarHBondContact O-CG 3.36Å; H38-L42 PolarHBondContact O-N 3.39Å; H38-R240 PolarHBondContact CE1-NH2 3.3Å; H38-R240 PolarHBondContact ND1-NH2 2.9Å; H38-E244 IonicContact CE1-OE1 3.43Å
39F88.8Confident84.1Confident9 Ų970.5 Ų70.54%0.03937%0.368CS..Hα-helixtrans-65.4-40.7178.6-167.3-83.6000111.6L35 D36 N41 L42 M43 L166 T239 R240 L243L35-F39 HydrophobicContact CB-CB 4.45Å; L35-F39 HydrophobicContact CB-CD1 4.04Å; L35-F39 HydrophobicContact CD1-CD1 3.7Å; L35-F39 HydrophobicContact CD1-CE1 3.74Å; L35-F39 HydrophobicContact CD2-CD1 4.16Å; L35-F39 HydrophobicContact CD2-CE1 4.31Å; L35-F39 HydrophobicContact CG-CD1 4.17Å; D36-F39 PolarHBondContact O-N 2.93Å; D36-F39 VanDerWaalsContact O-N 3.13Å; D36-F39 WeakPolarHBondContact OD1-CB 3.38Å; D36-F39 PolarHBondContact OD1-N 3.48Å; F39-N41 VanDerWaalsContact C-N 3.32Å; F39-N41 PolarHBondContact O-N 3.46Å; F39-L42 WeakPolarHBondContact O-CB 3.36Å; F39-L42 PolarHBondContact O-N 3.04Å; F39-M43 HydrophobicContact CD1-CG 3.77Å; F39-M43 HydrophobicContact CE1-CG 3.58Å; F39-M43 HydrophobicContact CE1-SD 3.93Å; F39-M43 HydrophobicContact CZ-CG 4.48Å; F39-M43 HydrophobicContact CZ-SD 4.49Å; F39-M43 VanDerWaalsContact O-CG 3.26Å; F39-M43 WeakPolarHBondContact O-CG 3.45Å; F39-M43 PolarHBondContact O-N 3.31Å; F39-L166 HydrophobicContact CE1-CD2 3.82Å; F39-L166 HydrophobicContact CE2-CD2 4.38Å; F39-L166 HydrophobicContact CZ-CD2 3.41Å; F39-L166 VanDerWaalsContact CZ-CD2 3.41Å; F39-T239 HydrophobicContact CE2-CG2 4.46Å; F39-T239 HydrophobicContact CZ-CG2 3.8Å; F39-R240 HydrophobicContact CD2-CB 4.1Å; F39-R240 HydrophobicContact CD2-CG 4.4Å; F39-R240 HydrophobicContact CE2-CB 3.86Å; F39-L243 HydrophobicContact CE1-CD1 4.27Å; F39-L243 HydrophobicContact CE2-CD1 4.11Å; F39-L243 HydrophobicContact CZ-CD1 3.89Å
40E89.2Confident85.8Confident88 Ų8866.3 Ų66.341%0.41135%0.347SS..Hα-helixtrans-61.3-39.9173.4-73.2-63.4158.600112.1L35 D36 M43 S44L35-E40 HydrophobicContact CB-CG 4.3Å; D36-E40 PolarHBondContact O-N 3.34Å; D36-E40 VanDerWaalsContact O-N 3.08Å; E40-M43 PolarHBondContact O-N 3.43Å; E40-S44 WeakPolarHBondContact O-CB 3.42Å; E40-S44 PolarHBondContact O-N 2.91Å
41N92.1Very high87.3Confident103 Ų10368.8 Ų68.855%0.55135%0.354SS*.Hα-helixtrans-62.5-45.4173.7-170.3-68.1000111.7A37 H38 F39 M43 S44 R45A37-N41 WeakPolarHBondContact O-CB 3.39Å; A37-N41 PolarHBondContact O-N 3.16Å; A37-N41 VanDerWaalsContact O-N 3.13Å; H38-N41 WeakPolarHBondContact O-CB 3.41Å; H38-N41 PolarHBondContact O-N 3.48Å; F39-N41 VanDerWaalsContact C-N 3.32Å; F39-N41 PolarHBondContact O-N 3.46Å; N41-M43 VanDerWaalsContact C-N 3.32Å; N41-M43 PolarHBondContact O-N 3.45Å; N41-S44 PolarHBondContact O-N 2.99Å; N41-R45 WeakPolarHBondContact O-CB 3.49Å; N41-R45 PolarHBondContact O-N 3.12Å
42L93.1Very high88.9Confident6 Ų667.4 Ų67.43%0.03134%0.342CS..Hα-helixtrans-58.9-42.7176-75.2179.7000112.1H38 F39 R45 A46 R240 L243 E244H38-L42 VanDerWaalsContact CE1-CD1 3.41Å; H38-L42 WeakPolarHBondContact CE1-CD1 3.15Å; H38-L42 WeakPolarHBondContact O-CG 3.36Å; H38-L42 PolarHBondContact O-N 3.39Å; F39-L42 WeakPolarHBondContact O-CB 3.36Å; F39-L42 PolarHBondContact O-N 3.04Å; L42-R45 PolarHBondContact O-N 3.29Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 3.32Å; L42-R240 HydrophobicContact CD1-CG 4.24Å; L42-L243 HydrophobicContact CB-CB 3.95Å; L42-L243 HydrophobicContact CB-CD1 4.13Å; L42-L243 HydrophobicContact CD1-CB 4.31Å; L42-E244 HydrophobicContact CD1-CG 3.74Å; L42-E244 HydrophobicContact CD2-CG 4.22Å
43M91.6Very high90Very high32 Ų3262.6 Ų62.616%0.15833%0.325CS..Hα-helixtrans-62.6-49.5176.7-73.9-79.4-79.600111.7F39 E40 N41 R45 A46 D47 R163 L243F39-M43 HydrophobicContact CD1-CG 3.77Å; F39-M43 HydrophobicContact CE1-CG 3.58Å; F39-M43 HydrophobicContact CE1-SD 3.93Å; F39-M43 HydrophobicContact CZ-CG 4.48Å; F39-M43 HydrophobicContact CZ-SD 4.49Å; F39-M43 VanDerWaalsContact O-CG 3.26Å; F39-M43 WeakPolarHBondContact O-CG 3.45Å; F39-M43 PolarHBondContact O-N 3.31Å; E40-M43 PolarHBondContact O-N 3.43Å; N41-M43 VanDerWaalsContact C-N 3.32Å; N41-M43 PolarHBondContact O-N 3.45Å; M43-R45 VanDerWaalsContact C-N 3.34Å; M43-R45 PolarHBondContact O-N 3.45Å; M43-A46 WeakPolarHBondContact O-CB 3.45Å; M43-A46 PolarHBondContact O-N 2.91Å; M43-D47 PolarHBondContact O-N 2.89Å; M43-R163 HydrophobicContact CE-CG 4.36Å; M43-R163 VanDerWaalsContact CE-NH2 3.32Å; M43-R163 HydrophobicContact SD-CG 3.89Å; M43-R163 PolarHBondContact SD-NE 3.49Å; M43-L243 HydrophobicContact CG-CD1 3.87Å; M43-L243 HydrophobicContact SD-CD1 3.72Å; M43-L243 HydrophobicContact SD-CD2 4.32Å
44S93Very high90.9Very high81 Ų8163.8 Ų63.857%0.56633%0.329SS*.Hα-helixtrans-59.7-44.2177.2-1780000111.9E40 N41 A46 D47 C48E40-S44 WeakPolarHBondContact O-CB 3.42Å; E40-S44 PolarHBondContact O-N 2.91Å; N41-S44 PolarHBondContact O-N 2.99Å; S44-A46 VanDerWaalsContact C-N 3.32Å; S44-A46 PolarHBondContact O-N 3.08Å; S44-D47 PolarHBondContact O-N 3.19Å; S44-C48 WeakPolarHBondContact O-CB 3.42Å; S44-C48 PolarHBondContact O-N 2.91Å
45R93.8Very high92Very high77 Ų7760.5 Ų60.529%0.29131%0.312SS..Hα-helixtrans-62.4-39.4176.4-172.9175.170.3171.88.4112N41 L42 M43 T49 S247N41-R45 WeakPolarHBondContact O-CB 3.49Å; N41-R45 PolarHBondContact O-N 3.12Å; L42-R45 PolarHBondContact O-N 3.29Å; M43-R45 VanDerWaalsContact C-N 3.34Å; M43-R45 PolarHBondContact O-N 3.45Å; R45-T49 WeakPolarHBondContact O-CB 3.41Å; R45-T49 PolarHBondContact O-N 3.11Å; R45-T49 PolarHBondContact O-OG1 3.15Å; R45-S247 PolarHBondContact NH1-OG 3.42Å; R45-S247 PolarHBondContact NH2-OG 3.21Å
46A94.5Very high92.9Very high0 Ų062.1 Ų62.10%032%0.32CS..Hα-helixtrans-63.9-46.3177.100000111.9L42 M43 S44 T49 K50 W156 L243 I246L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 3.32Å; M43-A46 WeakPolarHBondContact O-CB 3.45Å; M43-A46 PolarHBondContact O-N 2.91Å; S44-A46 VanDerWaalsContact C-N 3.32Å; S44-A46 PolarHBondContact O-N 3.08Å; A46-T49 WeakPolarHBondContact O-CB 3.47Å; A46-T49 PolarHBondContact O-N 3.41Å; A46-K50 PolarHBondContact O-N 2.9Å; A46-W156 HydrophobicContact CB-CH2 4.4Å; A46-W156 HydrophobicContact CB-CZ3 4Å; A46-W156 WeakPolarHBondContact O-CH2 3.35Å; A46-W156 VanDerWaalsContact O-CZ3 3.27Å; A46-W156 WeakPolarHBondContact O-CZ3 3.45Å; A46-L243 HydrophobicContact CB-CD2 3.44Å; A46-L243 VanDerWaalsContact CB-CD2 3.44Å; A46-I246 HydrophobicContact CB-CD1 3.24Å
47D94.8Very high93.3Very high69 Ų6959.5 Ų59.537%0.36930%0.304SS..Hα-helixtrans-62.2-44.7176.9-74.6-36000112.1M43 S44 T49 K50 H51 R163M43-D47 PolarHBondContact O-N 2.89Å; S44-D47 PolarHBondContact O-N 3.19Å; D47-T49 VanDerWaalsContact C-N 3.32Å; D47-T49 PolarHBondContact O-N 2.84Å; D47-K50 PolarHBondContact O-N 3.13Å; D47-H51 WeakPolarHBondContact O-CB 3.29Å; D47-H51 PolarHBondContact O-N 3.14Å; D47-R163 IonicContact OD1-CZ 2.79Å; D47-R163 IonicContact OD1-NH1 2.69Å; D47-R163 PolarHBondContact OD1-NH1 3.15Å; D47-R163 IonicContact OD1-NH2 2.77Å; D47-R163 PolarHBondContact OD1-NH2 2.95Å; D47-R163 IonicContact OD2-CZ 2.72Å; D47-R163 IonicContact OD2-NH1 3.61Å; D47-R163 IonicContact OD2-NH2 2.74Å; D47-R163 PolarHBondContact OD2-NH2 2.96Å
48C95.6Very high93.4Very high64 Ų6461.3 Ų61.343%0.43229%0.292SS..Hα-helixtrans-57.8-46.4173.8-172.80000111.1S44 K50 H51 W52S44-C48 WeakPolarHBondContact O-CB 3.42Å; S44-C48 PolarHBondContact O-N 2.91Å; C48-K50 PolarHBondContact O-N 3.39Å; C48-H51 PolarHBondContact O-N 3.47Å; C48-W52 PolarHBondContact O-N 2.87Å
49T95.3Very high93.5Very high10 Ų1063.4 Ų63.46%0.06130%0.302CS..Hα-helixtrans-59.2-51.4179.1-58.70000111.1R45 A46 D47 H51 W52 T53 F151 I246 H250R45-T49 WeakPolarHBondContact O-CB 3.41Å; R45-T49 PolarHBondContact O-N 3.11Å; R45-T49 PolarHBondContact O-OG1 3.15Å; A46-T49 WeakPolarHBondContact O-CB 3.47Å; A46-T49 PolarHBondContact O-N 3.41Å; D47-T49 VanDerWaalsContact C-N 3.32Å; D47-T49 PolarHBondContact O-N 2.84Å; T49-H51 PolarHBondContact O-N 3.34Å; T49-W52 PolarHBondContact O-N 2.98Å; T49-T53 VanDerWaalsContact O-CB 3.26Å; T49-T53 WeakPolarHBondContact O-CB 3.39Å; T49-T53 PolarHBondContact O-N 3.47Å; T49-T53 PolarHBondContact O-OG1 2.93Å; T49-F151 HydrophobicContact CG2-CE1 4.12Å; T49-F151 HydrophobicContact CG2-CZ 3.98Å; T49-I246 HydrophobicContact CG2-CG2 3.92Å; T49-H250 VanDerWaalsContact CG2-NE2 3.29Å; T49-H250 WeakPolarHBondContact CG2-NE2 3.46Å; T49-H250 PolarHBondContact OG1-CE1 3.03Å; T49-H250 PolarHBondContact OG1-NE2 3.32Å
50K95.6Very high93.6Very high58 Ų5863.7 Ų63.725%0.25231%0.305SS..Hα-helixtrans-60.5-45.9178.4176.9-101-173.3-163.70112.1A46 D47 C48 W52 E54 L152 W156A46-K50 PolarHBondContact O-N 2.9Å; D47-K50 PolarHBondContact O-N 3.13Å; C48-K50 PolarHBondContact O-N 3.39Å; K50-W52 VanDerWaalsContact C-N 3.35Å; K50-W52 PolarHBondContact O-N 3.14Å; K50-E54 VanDerWaalsContact CE-OE2 3.26Å; K50-E54 WeakPolarHBondContact CE-OE2 3.43Å; K50-E54 IonicContact NZ-OE2 3.67Å; K50-E54 PolarHBondContact NZ-OE2 3.06Å; K50-E54 VanDerWaalsContact O-CB 3.28Å; K50-E54 WeakPolarHBondContact O-CB 3.37Å; K50-E54 PolarHBondContact O-N 3.35Å; K50-L152 HydrophobicContact CG-CD2 4.09Å; K50-W156 HydrophobicContact CB-CD2 3.66Å; K50-W156 HydrophobicContact CB-CE3 3.7Å; K50-W156 HydrophobicContact CB-CG 4.38Å; K50-W156 HydrophobicContact CB-CH2 3.59Å; K50-W156 HydrophobicContact CB-CZ2 3.6Å; K50-W156 HydrophobicContact CB-CZ3 3.66Å; K50-W156 HydrophobicContact CD-CZ2 4.03Å; K50-W156 HydrophobicContact CG-CD2 3.64Å; K50-W156 HydrophobicContact CG-CE3 4.22Å; K50-W156 HydrophobicContact CG-CG 3.94Å; K50-W156 HydrophobicContact CG-CH2 4.27Å; K50-W156 HydrophobicContact CG-CZ2 3.74Å; K50-W156 HydrophobicContact CG-CZ3 4.5Å
51H96.2Very high93.5Very high79 Ų7960.9 Ų60.937%0.36629%0.291SS..Hα-helixtrans-58-48.3-177.6179.976.4000111.8D47 C48 T49 K55D47-H51 WeakPolarHBondContact O-CB 3.29Å; D47-H51 PolarHBondContact O-N 3.14Å; C48-H51 PolarHBondContact O-N 3.47Å; T49-H51 PolarHBondContact O-N 3.34Å; H51-K55 WeakPolarHBondContact CE1-CE 3.38Å; H51-K55 PolarHBondContact CE1-NZ 3.22Å; H51-K55 WeakPolarHBondContact NE2-CE 3.39Å; H51-K55 PolarHBondContact NE2-NZ 3.15Å; H51-K55 PolarHBondContact O-N 2.96Å; H51-K55 VanDerWaalsContact O-N 3.15Å
52W96.4Very high93.2Very high137 Ų13761.2 Ų61.252%0.51929%0.286SS..Hα-helixtrans-75.5-39.4-178.4-72.8113000112.8C48 T49 K50 E54 K55 I56C48-W52 PolarHBondContact O-N 2.87Å; T49-W52 PolarHBondContact O-N 2.98Å; K50-W52 VanDerWaalsContact C-N 3.35Å; K50-W52 PolarHBondContact O-N 3.14Å; W52-E54 VanDerWaalsContact C-N 3.29Å; W52-E54 PolarHBondContact O-N 3.44Å; W52-K55 HydrophobicContact CE3-CD 4.22Å; W52-K55 HydrophobicContact CZ3-CD 4.19Å; W52-K55 PolarHBondContact O-N 3.34Å; W52-I56 WeakPolarHBondContact O-CB 3.12Å; W52-I56 WeakPolarHBondContact O-CD1 3.05Å; W52-I56 VanDerWaalsContact O-CG1 3.24Å; W52-I56 WeakPolarHBondContact O-CG1 3.43Å; W52-I56 PolarHBondContact O-N 3Å
53T95.8Very high92.9Very high10 Ų1065.8 Ų65.86%0.06131%0.31CS..Hα-helixtrans-58.5-43.4174.3-65.40000111.3T49 Y57 L148 F151 L152 H253T49-T53 VanDerWaalsContact O-CB 3.26Å; T49-T53 WeakPolarHBondContact O-CB 3.39Å; T49-T53 PolarHBondContact O-N 3.47Å; T49-T53 PolarHBondContact O-OG1 2.93Å; T53-Y57 WeakPolarHBondContact O-CB 3.47Å; T53-Y57 PolarHBondContact O-N 2.88Å; T53-L148 HydrophobicContact CG2-CB 4.01Å; T53-L148 HydrophobicContact CG2-CD2 3.88Å; T53-L148 HydrophobicContact CG2-CG 4.34Å; T53-F151 HydrophobicContact CG2-CD1 3.87Å; T53-F151 HydrophobicContact CG2-CE1 4.35Å; T53-L152 HydrophobicContact CG2-CD1 4.17Å; T53-L152 HydrophobicContact CG2-CD2 4.09Å; T53-L152 HydrophobicContact CG2-CG 4Å; T53-H253 PolarHBondContact OG1-CE1 3.35Å
54E94.5Very high92.6Very high46 Ų4664.8 Ų64.822%0.21531%0.305CS..Hα-helixtrans-64.7-43.1177.4-177.7171.2-148.400112.8K50 W52 R58 L152K50-E54 VanDerWaalsContact CE-OE2 3.26Å; K50-E54 WeakPolarHBondContact CE-OE2 3.43Å; K50-E54 IonicContact NZ-OE2 3.67Å; K50-E54 PolarHBondContact NZ-OE2 3.06Å; K50-E54 VanDerWaalsContact O-CB 3.28Å; K50-E54 WeakPolarHBondContact O-CB 3.37Å; K50-E54 PolarHBondContact O-N 3.35Å; W52-E54 VanDerWaalsContact C-N 3.29Å; W52-E54 PolarHBondContact O-N 3.44Å; E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 2.91Å; E54-R58 IonicContact OE1-CZ 3.41Å; E54-R58 IonicContact OE1-NE 3.91Å; E54-R58 IonicContact OE1-NH2 2.78Å; E54-R58 PolarHBondContact OE1-NH2 3.14Å; E54-L152 HydrophobicContact CB-CD1 4.23Å; E54-L152 HydrophobicContact CB-CD2 4.16Å
55K94.8Very high91.8Very high104 Ų10464 Ų6445%0.45229%0.292SS..Hα-helixtrans-64.3-46.9177.4-81.1-177.1165.9175.80112.4H51 W52 R58 Q59H51-K55 WeakPolarHBondContact CE1-CE 3.38Å; H51-K55 PolarHBondContact CE1-NZ 3.22Å; H51-K55 WeakPolarHBondContact NE2-CE 3.39Å; H51-K55 PolarHBondContact NE2-NZ 3.15Å; H51-K55 PolarHBondContact O-N 2.96Å; H51-K55 VanDerWaalsContact O-N 3.15Å; W52-K55 HydrophobicContact CE3-CD 4.22Å; W52-K55 HydrophobicContact CZ3-CD 4.19Å; W52-K55 PolarHBondContact O-N 3.34Å; K55-R58 PolarHBondContact O-N 3.23Å; K55-Q59 WeakPolarHBondContact O-CB 3.42Å; K55-Q59 PolarHBondContact O-N 3.34Å
56I94.9Very high90.2Very high70 Ų7065.1 Ų65.136%0.35931%0.31SS..Hα-helixtrans-64-44.8179.9-67.7165.8000110.2W52 R58 Q59 T60 F144 L148W52-I56 WeakPolarHBondContact O-CB 3.12Å; W52-I56 WeakPolarHBondContact O-CD1 3.05Å; W52-I56 VanDerWaalsContact O-CG1 3.24Å; W52-I56 WeakPolarHBondContact O-CG1 3.43Å; W52-I56 PolarHBondContact O-N 3Å; I56-R58 PolarHBondContact O-N 3.37Å; I56-Q59 PolarHBondContact O-N 3.13Å; I56-T60 WeakPolarHBondContact O-CB 3.49Å; I56-T60 PolarHBondContact O-N 3.27Å; I56-T60 PolarHBondContact O-OG1 2.9Å; I56-F144 HydrophobicContact CG2-CE1 4.01Å; I56-F144 HydrophobicContact CG2-CZ 3.69Å; I56-L148 HydrophobicContact CG2-CD1 4.41Å
57Y92.6Very high88.4Confident32 Ų3269.3 Ų69.313%0.12533%0.332CS..Hα-helixtrans-53.8-55.4175.2171.3-88.9000111T53 Q59 T60 E61 L145 L148 R149 L152T53-Y57 WeakPolarHBondContact O-CB 3.47Å; T53-Y57 PolarHBondContact O-N 2.88Å; Y57-Q59 PolarHBondContact O-N 3.26Å; Y57-T60 PolarHBondContact O-N 3.05Å; Y57-E61 WeakPolarHBondContact O-CB 3.47Å; Y57-E61 PolarHBondContact O-N 2.93Å; Y57-E61 PolarHBondContact OH-OE1 3.28Å; Y57-L145 HydrophobicContact CD2-CB 4.34Å; Y57-L145 HydrophobicContact CD2-CD2 3.82Å; Y57-L145 HydrophobicContact CE2-CB 3.98Å; Y57-L145 HydrophobicContact CE2-CD2 4.03Å; Y57-L148 HydrophobicContact CD2-CB 4.09Å; Y57-R149 HydrophobicContact CD2-CB 4.48Å; Y57-R149 HydrophobicContact CE2-CB 3.85Å; Y57-L152 HydrophobicContact CG-CD1 4.43Å
58R89.4Confident86Confident125 Ų12570.5 Ų70.547%0.47234%0.343SS..Hα-helixtrans-61.3-44.8-178-70.3177.4-171.4-179.60.6111.9E54 K55 I56 T60 E61 Y62E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 2.91Å; E54-R58 IonicContact OE1-CZ 3.41Å; E54-R58 IonicContact OE1-NE 3.91Å; E54-R58 IonicContact OE1-NH2 2.78Å; E54-R58 PolarHBondContact OE1-NH2 3.14Å; K55-R58 PolarHBondContact O-N 3.23Å; I56-R58 PolarHBondContact O-N 3.37Å; R58-T60 VanDerWaalsContact C-N 3.29Å; R58-T60 PolarHBondContact O-N 3.38Å; R58-E61 WeakPolarHBondContact O-CB 3.37Å; R58-E61 PolarHBondContact O-N 2.94Å; R58-Y62 HydrophobicContact CB-CE2 4.15Å; R58-Y62 WeakPolarHBondContact O-CD2 3.44Å; R58-Y62 PolarHBondContact O-N 2.96Å
59Q91.9Very high83.9Confident132 Ų13274.6 Ų74.662%0.61736%0.359SS*.Hα-helixtrans-66.8-34.4-178.7-168.460.414.100112.6K55 I56 Y57 Y62 L63K55-Q59 WeakPolarHBondContact O-CB 3.42Å; K55-Q59 PolarHBondContact O-N 3.34Å; I56-Q59 PolarHBondContact O-N 3.13Å; Y57-Q59 PolarHBondContact O-N 3.26Å; Q59-Y62 PolarHBondContact O-N 2.96Å; Q59-L63 PolarHBondContact O-N 3.38Å
60T91Very high81.7Confident14 Ų1476.6 Ų76.69%0.08637%0.37CS..Hα-helixtrans-73.6-36.5176.6-50.50000111.1I56 Y57 R58 L63 L64 F144 L145 F260I56-T60 WeakPolarHBondContact O-CB 3.49Å; I56-T60 PolarHBondContact O-N 3.27Å; I56-T60 PolarHBondContact O-OG1 2.9Å; Y57-T60 PolarHBondContact O-N 3.05Å; R58-T60 VanDerWaalsContact C-N 3.29Å; R58-T60 PolarHBondContact O-N 3.38Å; T60-L63 WeakPolarHBondContact O-CB 3.42Å; T60-L63 PolarHBondContact O-N 3.09Å; T60-L64 HydrophobicContact CG2-CD1 4.29Å; T60-L64 HydrophobicContact CG2-CG 4.47Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 3.38Å; T60-F144 HydrophobicContact CG2-CD1 3.74Å; T60-F144 HydrophobicContact CG2-CE1 3.8Å; T60-F144 WeakPolarHBondContact OG1-CE1 3.43Å; T60-L145 HydrophobicContact CG2-CD2 4.03Å; T60-F260 HydrophobicContact CG2-CE2 3.73Å; T60-F260 HydrophobicContact CG2-CZ 3.72Å
61E86.5Confident79.5Confident29 Ų2977 Ų7714%0.13637%0.372CS..Hα-helixtrans-58.5-47170.9-171.2178.1-118.800111Y57 R58 L63 L64 Q65 L145Y57-E61 WeakPolarHBondContact O-CB 3.47Å; Y57-E61 PolarHBondContact O-N 2.93Å; Y57-E61 PolarHBondContact OH-OE1 3.28Å; R58-E61 WeakPolarHBondContact O-CB 3.37Å; R58-E61 PolarHBondContact O-N 2.94Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.15Å; E61-L64 PolarHBondContact O-N 3.47Å; E61-Q65 PolarHBondContact O-N 2.71Å; E61-L145 HydrophobicContact CB-CD1 4.42Å
62Y85.9Confident77.2Confident111 Ų11177 Ų7744%0.43538%0.379SS..Hα-helixtrans-62.8-36.6174.7-67-54.6000113.6R58 Q59 Q65 P66R58-Y62 HydrophobicContact CB-CE2 4.15Å; R58-Y62 WeakPolarHBondContact O-CD2 3.44Å; R58-Y62 PolarHBondContact O-N 2.96Å; Q59-Y62 PolarHBondContact O-N 2.96Å; Y62-Q65 CarbonylContact O-C 3.51Å; Y62-P66 WeakPolarHBondContact O-CA 3.42Å
63L87.8Confident75.1Confident102 Ų10272.3 Ų72.353%0.53437%0.372SS..Hα-helixtrans-63.3-43.3176.6178.272000111.5Q59 T60 E61 F260Q59-L63 PolarHBondContact O-N 3.38Å; T60-L63 WeakPolarHBondContact O-CB 3.42Å; T60-L63 PolarHBondContact O-N 3.09Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.15Å; L63-F260 HydrophobicContact CD2-CZ 4.15Å
64L84.9Confident72.9Confident11 Ų1171.9 Ų71.96%0.05837%0.369CS..Hα-helixtrans-78.8-27.8-177.2-63.6178.2000112.6T60 E61 F136 I137 L145T60-L64 HydrophobicContact CG2-CD1 4.29Å; T60-L64 HydrophobicContact CG2-CG 4.47Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 3.38Å; E61-L64 PolarHBondContact O-N 3.47Å; L64-F136 HydrophobicContact CD2-CD1 4.09Å; L64-F136 HydrophobicContact CD2-CE1 3.33Å; L64-F136 HydrophobicContact CD2-CE2 4.46Å; L64-F136 HydrophobicContact CD2-CZ 3.54Å; L64-I137 HydrophobicContact CB-CG1 4.4Å; L64-I137 HydrophobicContact CB-CG2 4.45Å; L64-I137 HydrophobicContact CD2-CG1 4.4Å; L64-I137 WeakPolarHBondContact O-CD1 3.43Å; L64-L145 HydrophobicContact CD1-CD1 3.85Å; L64-L145 HydrophobicContact CD1-CG 4.38Å
65Q74.5Confident71.1Confident63 Ų6376.1 Ų76.129%0.29438%0.384SS..  trans-138.181.3-179.4-63.6-174.55.800110.8E61 Y62 N67E61-Q65 PolarHBondContact O-N 2.71Å; Y62-Q65 CarbonylContact O-C 3.51Å; Q65-N67 PolarHBondContact O-N 3.13Å
66P61.3Low69.2Low101 Ų10176.3 Ų76.366%0.65639%0.388SS*.  trans-70.1-10.6-17524.8-33.2000114.6Y62 P68Y62-P66 WeakPolarHBondContact O-CA 3.42Å; P66-P68 VanDerWaalsContact O-CD 3.26Å; P66-P68 WeakPolarHBondContact O-CD 3.29Å
67N57.3Low67.2Low88 Ų8876 Ų7647%0.47139%0.385SS..  trans-75.7117-174.6-96.5-9.4000113.1Q65 I69 D70 H71Q65-N67 PolarHBondContact O-N 3.13Å; N67-I69 PolarHBondContact O-N 3.37Å; N67-D70 HydrophobicContact CB-CB 4.14Å; N67-D70 PolarHBondContact O-N 2.94Å; N67-H71 PolarHBondContact O-N 3.41Å
68P44.6Very low65.6Low94 Ų9478.6 Ų78.661%0.6140%0.399SS*.THydrogen-bonded Turntrans-81.2-9.2-17631.5-34.4000114.5P66 D70 H71P66-P68 VanDerWaalsContact O-CD 3.26Å; P66-P68 WeakPolarHBondContact O-CD 3.29Å; P68-D70 VanDerWaalsContact C-N 3.31Å; P68-H71 PolarHBondContact O-CE1 2.91Å; P68-H71 PolarHBondContact O-ND1 3.41Å
69I50.3Low64.1Low150 Ų15076.9 Ų76.977%0.76940%0.395SS*.THydrogen-bonded Turntrans-79.3-25.6168.9-67.1171.8000110.4N67N67-I69 PolarHBondContact O-N 3.37Å
70D50Low62.5Low52 Ų5274.8 Ų74.828%0.27839%0.388SS..Hα-helixtrans-85.8-31.6-175.4-79.3-44.5000113.2N67 P68 T72 G73 A74 R91N67-D70 HydrophobicContact CB-CB 4.14Å; N67-D70 PolarHBondContact O-N 2.94Å; P68-D70 VanDerWaalsContact C-N 3.31Å; D70-T72 VanDerWaalsContact C-N 3.29Å; D70-T72 PolarHBondContact O-N 3.32Å; D70-T72 VanDerWaalsContact O-N 3.13Å; D70-G73 PolarHBondContact O-N 2.89Å; D70-A74 HydrophobicContact CB-CB 4.4Å; D70-A74 VanDerWaalsContact O-CA 3.31Å; D70-A74 WeakPolarHBondContact O-CA 3.38Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 3.45Å; D70-R91 VanDerWaalsContact CB-NH1 3.34Å; D70-R91 IonicContact OD1-CZ 2.68Å; D70-R91 IonicContact OD1-NH1 3.61Å; D70-R91 PolarHBondContact OD1-NH1 3.17Å; D70-R91 IonicContact OD1-NH2 2.8Å; D70-R91 IonicContact OD2-NH1 3.35Å; D70-R91 PolarHBondContact OD2-NH1 3.38Å
71H47.8Very low60.9Low66 Ų6677 Ų7731%0.30640%0.395SS..Hα-helixtrans-58.8-32.4-175.976.1-50.5000114.8N67 P68 R75N67-H71 PolarHBondContact O-N 3.41Å; P68-H71 PolarHBondContact O-CE1 2.91Å; P68-H71 PolarHBondContact O-ND1 3.41Å; H71-R75 WeakPolarHBondContact O-CB 3.49Å; H71-R75 WeakPolarHBondContact O-CD 3.4Å; H71-R75 WeakPolarHBondContact O-CG 3.24Å
72T49.9Very low59.8Low81 Ų8180.8 Ų80.850%0.49741%0.412SS..Hα-helixtrans-88.8-38.6175.541.50000112.5D70 I76D70-T72 VanDerWaalsContact C-N 3.29Å; D70-T72 PolarHBondContact O-N 3.32Å; D70-T72 VanDerWaalsContact O-N 3.13Å; T72-I76 WeakPolarHBondContact O-CD1 3.31Å; T72-I76 WeakPolarHBondContact O-CG1 3.08Å; T72-I76 PolarHBondContact O-N 3.18Å
73G50.4Low58.6Low37 Ų3782.9 Ų82.938%0.38142%0.424SS..Hα-helixtrans-70.6-49.2177.300000113.1D70 I76 E77D70-G73 PolarHBondContact O-N 2.89Å; G73-I76 PolarHBondContact O-N 3Å; G73-E77 WeakPolarHBondContact O-CB 3.47Å; G73-E77 PolarHBondContact O-N 3.32Å
74A50.9Low57.5Low1 Ų183.3 Ų83.31%0.00843%0.426CS..Hα-helixtrans-63.9-38.7176.800000112.4D70 I76 E77 E78 R91D70-A74 HydrophobicContact CB-CB 4.4Å; D70-A74 VanDerWaalsContact O-CA 3.31Å; D70-A74 WeakPolarHBondContact O-CA 3.38Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 3.45Å; A74-I76 PolarHBondContact O-N 2.6Å; A74-E77 PolarHBondContact O-N 3.37Å; A74-E78 WeakPolarHBondContact O-CB 3.42Å; A74-E78 WeakPolarHBondContact O-CG 3.43Å; A74-E78 PolarHBondContact O-N 2.99Å; A74-R91 VanDerWaalsContact CB-NH2 3.28Å
75R56.2Low56Low136 Ų13690.7 Ų90.751%0.51347%0.465SS..Hα-helixtrans-67.6-36.2176.1-75.8175.164.1-167.63112.5H71 F79H71-R75 WeakPolarHBondContact O-CB 3.49Å; H71-R75 WeakPolarHBondContact O-CD 3.4Å; H71-R75 WeakPolarHBondContact O-CG 3.24Å; R75-F79 WeakPolarHBondContact O-CB 3.49Å; R75-F79 PolarHBondContact O-N 2.99Å; R75-F79 VanDerWaalsContact O-N 3.07Å
76I54.1Low55.1Low107 Ų10792.9 Ų92.955%0.54948%0.477SS..Hα-helixtrans-72.3-42.5174.9-67.5168.6000109.9T72 G73 A74 L80T72-I76 WeakPolarHBondContact O-CD1 3.31Å; T72-I76 WeakPolarHBondContact O-CG1 3.08Å; T72-I76 PolarHBondContact O-N 3.18Å; G73-I76 PolarHBondContact O-N 3Å; A74-I76 PolarHBondContact O-N 2.6Å; I76-L80 HydrophobicContact CG2-CD1 3.84Å; I76-L80 HydrophobicContact CG2-CG 4.41Å; I76-L80 VanDerWaalsContact O-CB 3.3Å; I76-L80 WeakPolarHBondContact O-CB 3.29Å; I76-L80 WeakPolarHBondContact O-CD1 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.32Å; I76-L80 PolarHBondContact O-N 3.39Å
77E54Low54.6Low64 Ų6497.8 Ų97.830%0.29949%0.488SS..Hα-helixtrans-65.8-49.5179-177.8178.5-156.600112.2G73 A74 L80 Y81 R91G73-E77 WeakPolarHBondContact O-CB 3.47Å; G73-E77 PolarHBondContact O-N 3.32Å; A74-E77 PolarHBondContact O-N 3.37Å; E77-L80 PolarHBondContact O-N 2.87Å; E77-Y81 HydrophobicContact CG-CD2 3.58Å; E77-Y81 HydrophobicContact CG-CE2 3.27Å; E77-Y81 WeakPolarHBondContact O-CB 3.26Å; E77-Y81 WeakPolarHBondContact O-CD2 3.28Å; E77-Y81 PolarHBondContact O-N 3.25Å; E77-R91 IonicContact OE2-CZ 2.81Å; E77-R91 IonicContact OE2-NH2 3.05Å; E77-R91 PolarHBondContact OE2-NH2 3.29Å
78E59.7Low54.6Low87 Ų8795.8 Ų95.841%0.40748%0.484SS..Hα-helixtrans-62.5-42.1174-76.8-179.2168.600111.5A74 L80 Y81 E82A74-E78 WeakPolarHBondContact O-CB 3.42Å; A74-E78 WeakPolarHBondContact O-CG 3.43Å; A74-E78 PolarHBondContact O-N 2.99Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.48Å; E78-Y81 PolarHBondContact O-N 3.46Å; E78-E82 WeakPolarHBondContact O-CB 3.46Å; E78-E82 PolarHBondContact O-N 3.4Å
79F57.6Low55.2Low88 Ų8894.9 Ų94.939%0.38648%0.478SS..Hα-helixtrans-63.7-37175179.4-98.1000112.5R75 K83R75-F79 WeakPolarHBondContact O-CB 3.49Å; R75-F79 PolarHBondContact O-N 2.99Å; R75-F79 VanDerWaalsContact O-N 3.07Å; F79-K83 HydrophobicContact CE1-CD 3.86Å; F79-K83 HydrophobicContact CE1-CG 4.41Å; F79-K83 HydrophobicContact CZ-CD 3.89Å; F79-K83 HydrophobicContact CZ-CG 4.39Å; F79-K83 WeakPolarHBondContact O-CB 3.35Å; F79-K83 PolarHBondContact O-N 3.48Å
80L57Low55.8Low89 Ų8991.6 Ų91.647%0.46647%0.468SS..Hα-helixtrans-68.3-45.5174.9-76.4168.2000111I76 E77 E78 K83 L84I76-L80 HydrophobicContact CG2-CD1 3.84Å; I76-L80 HydrophobicContact CG2-CG 4.41Å; I76-L80 VanDerWaalsContact O-CB 3.3Å; I76-L80 WeakPolarHBondContact O-CB 3.29Å; I76-L80 WeakPolarHBondContact O-CD1 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.32Å; I76-L80 PolarHBondContact O-N 3.39Å; E77-L80 PolarHBondContact O-N 2.87Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.48Å; L80-K83 PolarHBondContact O-N 2.93Å; L80-L84 WeakPolarHBondContact O-CB 3.5Å; L80-L84 WeakPolarHBondContact O-CD1 3.5Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 3.02Å
81Y59.1Low56.8Low60 Ų6093.6 Ų93.624%0.23547%0.472CS..Hα-helixtrans-65.2-39.7177.2-76.9-51.8000112.3E77 E78 L84 D85 M86 A88 P89E77-Y81 HydrophobicContact CG-CD2 3.58Å; E77-Y81 HydrophobicContact CG-CE2 3.27Å; E77-Y81 WeakPolarHBondContact O-CB 3.26Å; E77-Y81 WeakPolarHBondContact O-CD2 3.28Å; E77-Y81 PolarHBondContact O-N 3.25Å; E78-Y81 PolarHBondContact O-N 3.46Å; Y81-L84 PolarHBondContact O-N 3.25Å; Y81-D85 PolarHBondContact O-N 3.37Å; Y81-D85 VanDerWaalsContact O-N 3.11Å; Y81-M86 CarbonylContact C-O 3.59Å; Y81-M86 WeakPolarHBondContact CB-O 3.37Å; Y81-M86 HydrophobicContact CD1-CB 3.6Å; Y81-M86 HydrophobicContact CD1-SD 4.44Å; Y81-M86 HydrophobicContact CE1-CB 4.3Å; Y81-M86 HydrophobicContact CE1-CE 4.16Å; Y81-M86 HydrophobicContact CE1-SD 4.48Å; Y81-M86 PolarHBondContact O-N 3.19Å; Y81-A88 HydrophobicContact CD2-CB 3.79Å; Y81-A88 HydrophobicContact CG-CB 4.21Å; Y81-P89 VanDerWaalsContact CE2-CD 3.44Å; Y81-P89 HydrophobicContact CE2-CG 4.31Å
82E62Low58.3Low108 Ų10895.1 Ų95.151%0.50549%0.485SS..Hα-helixtrans-63.4-39.8173.5-173.3175.6-155.100111.5E78 R149E78-E82 WeakPolarHBondContact O-CB 3.46Å; E78-E82 PolarHBondContact O-N 3.4Å; E82-R149 IonicContact OE1-NH1 3.76Å; E82-R149 IonicContact OE2-CZ 3.25Å; E82-R149 IonicContact OE2-NH1 2.67Å; E82-R149 PolarHBondContact OE2-NH1 3.4Å; E82-R149 IonicContact OE2-NH2 3.69Å; E82-R149 PolarHBondContact OE2-NH2 3.08Å
83K61.4Low60Low155 Ų15592 Ų9267%0.67447%0.466SS*.Hα-helixtrans-76.3-22.6174.7-84.3-157.4171.2-171.80115F79 L80F79-K83 HydrophobicContact CE1-CD 3.86Å; F79-K83 HydrophobicContact CE1-CG 4.41Å; F79-K83 HydrophobicContact CZ-CD 3.89Å; F79-K83 HydrophobicContact CZ-CG 4.39Å; F79-K83 WeakPolarHBondContact O-CB 3.35Å; F79-K83 PolarHBondContact O-N 3.48Å; L80-K83 PolarHBondContact O-N 2.93Å
84L64.6Low61.8Low111 Ų11195.9 Ų95.958%0.58148%0.478SS*.THydrogen-bonded Turntrans-96.32.9-179.1-69.6166.9000112.8L80 Y81 M86L80-L84 WeakPolarHBondContact O-CB 3.5Å; L80-L84 WeakPolarHBondContact O-CD1 3.5Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 3.02Å; Y81-L84 PolarHBondContact O-N 3.25Å; L84-M86 HydrophobicContact CB-CB 4.4Å; L84-M86 HydrophobicContact CB-CG 4.1Å; L84-M86 HydrophobicContact CB-SD 4.13Å; L84-M86 PolarHBondContact O-N 2.9Å
85D53.3Low63.7Low166 Ų16696.7 Ų96.789%0.88849%0.485SS*.THydrogen-bonded Turntrans55.631.6-175.7-112.3-5.1000112.8Y81Y81-D85 PolarHBondContact O-N 3.37Å; Y81-D85 VanDerWaalsContact O-N 3.11Å
86M55.7Low65.4Low109 Ų10991.5 Ų91.554%0.53747%0.467SS..  trans-107.3138.8-177.8-75.5-178.576.300109.4Y81 L84 A88Y81-M86 CarbonylContact C-O 3.59Å; Y81-M86 WeakPolarHBondContact CB-O 3.37Å; Y81-M86 HydrophobicContact CD1-CB 3.6Å; Y81-M86 HydrophobicContact CD1-SD 4.44Å; Y81-M86 HydrophobicContact CE1-CB 4.3Å; Y81-M86 HydrophobicContact CE1-CE 4.16Å; Y81-M86 HydrophobicContact CE1-SD 4.48Å; Y81-M86 PolarHBondContact O-N 3.19Å; L84-M86 HydrophobicContact CB-CB 4.4Å; L84-M86 HydrophobicContact CB-CG 4.1Å; L84-M86 HydrophobicContact CB-SD 4.13Å; L84-M86 PolarHBondContact O-N 2.9Å; M86-A88 PolarHBondContact O-N 3.48Å
87K51.6Low67.3Low204 Ų20490.7 Ų90.789%0.88746%0.463SS*.PPolyproline II helixtrans-70.4119.6173.6-78.6-176.2176.1-178.90109.6
88A56.8Low69.2Low47 Ų4791.5 Ų91.539%0.38847%0.469SS..PPolyproline II helixtrans-57.6136.8170.300000109.9Y81 M86 S90Y81-A88 HydrophobicContact CD2-CB 3.79Å; Y81-A88 HydrophobicContact CG-CB 4.21Å; M86-A88 PolarHBondContact O-N 3.48Å; A88-S90 PolarHBondContact O-N 2.88Å
89P56.7Low71Confident74 Ų7487.4 Ų87.448%0.48145%0.45SS..PPolyproline II helixtrans-63.5131.4178.621.6-27.6000110.4Y81 R91Y81-P89 VanDerWaalsContact CE2-CD 3.44Å; Y81-P89 HydrophobicContact CE2-CG 4.31Å; P89-R91 PolarHBondContact O-N 3.11Å; P89-R91 VanDerWaalsContact O-N 3.15Å
90S62.7Low72.8Confident81 Ų8186.9 Ų86.957%0.56645%0.449SS*.  trans-62.2115.7174.9172.60000109.4A88 R134A88-S90 PolarHBondContact O-N 2.88Å; S90-R134 WeakPolarHBondContact OG-CD 3.39Å
91R70.4Confident74.7Confident95 Ų9588.2 Ų88.236%0.35845%0.452SS..PPolyproline II helixtrans-70136.2176.3-64.8-179178.4-158.5-8.7109.7D70 A74 E77 P89D70-R91 VanDerWaalsContact CB-NH1 3.34Å; D70-R91 IonicContact OD1-CZ 2.68Å; D70-R91 IonicContact OD1-NH1 3.61Å; D70-R91 PolarHBondContact OD1-NH1 3.17Å; D70-R91 IonicContact OD1-NH2 2.8Å; D70-R91 IonicContact OD2-NH1 3.35Å; D70-R91 PolarHBondContact OD2-NH1 3.38Å; A74-R91 VanDerWaalsContact CB-NH2 3.28Å; E77-R91 IonicContact OE2-CZ 2.81Å; E77-R91 IonicContact OE2-NH2 3.05Å; E77-R91 PolarHBondContact OE2-NH2 3.29Å; P89-R91 PolarHBondContact O-N 3.11Å; P89-R91 VanDerWaalsContact O-N 3.15Å
92V79.3Confident76.5Confident97 Ų9787.3 Ų87.359%0.58845%0.451SS*.PPolyproline II helixtrans-72.1132.1174.7-178.80000107.5E96 L97V92-E96 HydrophobicContact CG1-CB 3.56Å; V92-L97 HydrophobicContact CG1-CB 4.45Å
93T86Confident78.1Confident15 Ų1583.1 Ų83.19%0.09243%0.431CS..PPolyproline II helixtrans-79163.7178.771.20000111.3A95 E96 L97 G130 E133 R134T93-A95 VanDerWaalsContact C-N 3.25Å; T93-A95 PolarHBondContact O-N 3.19Å; T93-E96 PolarHBondContact N-OE2 3.13Å; T93-E96 VanDerWaalsContact N-OE2 3.14Å; T93-E96 PolarHBondContact O-N 2.97Å; T93-E96 WeakPolarHBondContact OG1-CG 3.5Å; T93-E96 PolarHBondContact OG1-N 3.37Å; T93-L97 PolarHBondContact O-N 3.47Å; T93-G130 WeakPolarHBondContact CG2-O 2.89Å; T93-G130 WeakPolarHBondContact OG1-CA 3.27Å; T93-G130 PolarHBondContact OG1-O 2.91Å; T93-E133 WeakPolarHBondContact CB-OE2 3.41Å; T93-E133 HydrophobicContact CG2-CB 4.39Å; T93-E133 HydrophobicContact CG2-CG 4.37Å; T93-R134 HydrophobicContact CG2-CB 3.99Å
94N89Confident79.8Confident119 Ų11978.9 Ų78.964%0.63642%0.416SS*.Hα-helixtrans-59.7-38.9179.6-66.9-27.5000111.8L97 L98N94-L97 PolarHBondContact O-N 3.46Å; N94-L98 PolarHBondContact O-N 3.22Å
95A91.2Very high81.3Confident18 Ų1874.9 Ų74.915%0.14940%0.399CS..Hα-helixtrans-67.2-38.5177.800000112T93 L98 G99T93-A95 VanDerWaalsContact C-N 3.25Å; T93-A95 PolarHBondContact O-N 3.19Å; A95-L98 PolarHBondContact O-N 3.4Å; A95-G99 PolarHBondContact O-N 3.37Å
96E92.1Very high83.3Confident27 Ų2767 Ų6713%0.12636%0.357CS..Hα-helixtrans-65.6-39.7174.2-71.4-178.9139.500112.8V92 T93 L98 G99 Q100 R134V92-E96 HydrophobicContact CG1-CB 3.56Å; T93-E96 PolarHBondContact N-OE2 3.13Å; T93-E96 VanDerWaalsContact N-OE2 3.14Å; T93-E96 PolarHBondContact O-N 2.97Å; T93-E96 WeakPolarHBondContact OG1-CG 3.5Å; T93-E96 PolarHBondContact OG1-N 3.37Å; E96-L98 VanDerWaalsContact C-N 3.35Å; E96-G99 PolarHBondContact O-N 3.28Å; E96-Q100 WeakPolarHBondContact O-CB 3.24Å; E96-Q100 PolarHBondContact O-N 3.2Å; E96-R134 IonicContact OE1-CZ 2.6Å; E96-R134 IonicContact OE1-NH1 3.58Å; E96-R134 PolarHBondContact OE1-NH1 2.81Å; E96-R134 IonicContact OE1-NH2 3.86Å; E96-R134 PolarHBondContact OE1-NH2 2.79Å; E96-R134 IonicContact OE2-CZ 3.95Å; E96-R134 IonicContact OE2-NH1 3.91Å; E96-R134 PolarHBondContact OE2-NH1 3.26Å
97L92.6Very high85.2Confident90 Ų9067.9 Ų67.947%0.47136%0.358SS..Hα-helixtrans-63.7-43176.1-177.262.8000111V92 T93 N94 Q100 H101V92-L97 HydrophobicContact CG1-CB 4.45Å; T93-L97 PolarHBondContact O-N 3.47Å; N94-L97 PolarHBondContact O-N 3.46Å; L97-Q100 PolarHBondContact O-N 3.06Å; L97-H101 PolarHBondContact O-CD2 3.45Å; L97-H101 PolarHBondContact O-N 2.77Å; L97-H101 VanDerWaalsContact O-N 3.16Å
98L95.1Very high87.3Confident82 Ų8266.4 Ų66.443%0.42935%0.354SS..Hα-helixtrans-61.6-47.8174.8-179.161.7000111.5N94 A95 E96 Q100 H101 M102 E126N94-L98 PolarHBondContact O-N 3.22Å; A95-L98 PolarHBondContact O-N 3.4Å; E96-L98 VanDerWaalsContact C-N 3.35Å; L98-Q100 VanDerWaalsContact C-N 3.31Å; L98-Q100 PolarHBondContact O-N 3.43Å; L98-H101 PolarHBondContact O-N 2.96Å; L98-M102 HydrophobicContact CD1-CE 3.9Å; L98-M102 HydrophobicContact CD2-CE 3.98Å; L98-M102 HydrophobicContact CG-CE 3.8Å; L98-M102 HydrophobicContact CG-SD 4.34Å; L98-M102 WeakPolarHBondContact O-CG 3.44Å; L98-M102 PolarHBondContact O-N 3.18Å; L98-E126 HydrophobicContact CD2-CG 4.34Å
99G96.3Very high89.1Confident0 Ų069.7 Ų69.70%036%0.36CS..Hα-helixtrans-59.4-41.6178.400000112.5A95 E96 H101 M102 E103 G123A95-G99 PolarHBondContact O-N 3.37Å; E96-G99 PolarHBondContact O-N 3.28Å; G99-H101 PolarHBondContact O-N 3.48Å; G99-M102 PolarHBondContact O-N 2.88Å; G99-E103 WeakPolarHBondContact O-CG 3.4Å; G99-E103 PolarHBondContact O-N 3.39Å; G99-G123 WeakPolarHBondContact CA-O 3.13Å
100Q95.8Very high90.6Very high78 Ų7867.1 Ų67.136%0.36435%0.347SS..Hα-helixtrans-59.1-46.5175.1-176.160.254.100112E96 L97 L98 M102 E103 D104E96-Q100 WeakPolarHBondContact O-CB 3.24Å; E96-Q100 PolarHBondContact O-N 3.2Å; L97-Q100 PolarHBondContact O-N 3.06Å; L98-Q100 VanDerWaalsContact C-N 3.31Å; L98-Q100 PolarHBondContact O-N 3.43Å; Q100-M102 PolarHBondContact O-N 3.3Å; Q100-E103 PolarHBondContact O-N 2.84Å; Q100-D104 PolarHBondContact NE2-OD1 2.71Å; Q100-D104 PolarHBondContact NE2-OD2 2.86Å; Q100-D104 VanDerWaalsContact O-CG 3.3Å; Q100-D104 PolarHBondContact O-N 2.89Å
101H96.8Very high91.5Very high116 Ų11667.5 Ų67.554%0.53735%0.347SS..Hα-helixtrans-65.5-36.9177.6-74.7-55.2000112.9L97 L98 G99 D104 A105L97-H101 PolarHBondContact O-CD2 3.45Å; L97-H101 PolarHBondContact O-N 2.77Å; L97-H101 VanDerWaalsContact O-N 3.16Å; L98-H101 PolarHBondContact O-N 2.96Å; G99-H101 PolarHBondContact O-N 3.48Å; H101-D104 PolarHBondContact O-N 3.45Å; H101-A105 VanDerWaalsContact O-CB 3.29Å; H101-A105 WeakPolarHBondContact O-CB 3.39Å; H101-A105 PolarHBondContact O-N 3.06Å
102M97.3Very high92.2Very high42 Ų4266.9 Ų66.921%0.20737%0.371CS..Hα-helixtrans-64.5-41.6175.6-71.5179.2172.400112L98 G99 Q100 A105 A106 L119 V122 E126L98-M102 HydrophobicContact CD1-CE 3.9Å; L98-M102 HydrophobicContact CD2-CE 3.98Å; L98-M102 HydrophobicContact CG-CE 3.8Å; L98-M102 HydrophobicContact CG-SD 4.34Å; L98-M102 WeakPolarHBondContact O-CG 3.44Å; L98-M102 PolarHBondContact O-N 3.18Å; G99-M102 PolarHBondContact O-N 2.88Å; Q100-M102 PolarHBondContact O-N 3.3Å; M102-A105 PolarHBondContact O-N 2.87Å; M102-A106 WeakPolarHBondContact O-CB 3.33Å; M102-A106 PolarHBondContact O-N 2.95Å; M102-L119 HydrophobicContact CB-CD2 4.48Å; M102-L119 HydrophobicContact CG-CD2 4.41Å; M102-V122 HydrophobicContact CE-CG1 4.09Å; M102-V122 HydrophobicContact SD-CB 4.25Å; M102-V122 HydrophobicContact SD-CG1 3.67Å; M102-E126 HydrophobicContact SD-CG 4.25Å
103E95.6Very high92.7Very high19 Ų1964.9 Ų64.99%0.08936%0.359CS..Hα-helixtrans-66.5-41.8176.2-75.2176.9-158.300112.7G99 Q100 A105 A106 K107 L120 D124 R127G99-E103 WeakPolarHBondContact O-CG 3.4Å; G99-E103 PolarHBondContact O-N 3.39Å; Q100-E103 PolarHBondContact O-N 2.84Å; E103-A105 VanDerWaalsContact C-N 3.35Å; E103-A106 WeakPolarHBondContact O-CB 3.45Å; E103-A106 PolarHBondContact O-N 3.49Å; E103-K107 WeakPolarHBondContact O-CG 3.26Å; E103-K107 PolarHBondContact O-N 2.99Å; E103-L120 HydrophobicContact CG-CD2 4.31Å; E103-D124 VanDerWaalsContact OE1-OD1 3.07Å; E103-R127 WeakPolarHBondContact OE1-CD 3.2Å; E103-R127 IonicContact OE1-CZ 3.75Å; E103-R127 IonicContact OE1-NE 3.16Å; E103-R127 PolarHBondContact OE1-NE 2.89Å; E103-R127 IonicContact OE1-NH2 3.74Å; E103-R127 PolarHBondContact OE1-NH2 3.29Å; E103-R127 VanDerWaalsContact OE1-NH2 3.13Å; E103-R127 IonicContact OE2-NE 2.71Å
104D96.6Very high92.9Very high66 Ų6667.5 Ų67.535%0.35338%0.376SS..Hα-helixtrans-66.8-40177.7-67.9-25.7000111.1Q100 H101 A106 K107 E108Q100-D104 PolarHBondContact NE2-OD1 2.71Å; Q100-D104 PolarHBondContact NE2-OD2 2.86Å; Q100-D104 VanDerWaalsContact O-CG 3.3Å; Q100-D104 PolarHBondContact O-N 2.89Å; H101-D104 PolarHBondContact O-N 3.45Å; D104-A106 VanDerWaalsContact C-N 3.34Å; D104-A106 PolarHBondContact O-N 3.2Å; D104-K107 PolarHBondContact O-N 2.95Å; D104-K107 IonicContact OD1-NZ 3.61Å; D104-K107 PolarHBondContact OD1-NZ 3.45Å; D104-E108 PolarHBondContact O-N 3.47Å
105A96.3Very high93Very high28 Ų2868.4 Ų68.423%0.23137%0.372CS..Hα-helixtrans-60.2-43.5170.700000111.6H101 M102 E103 K107 E108 F109 L119H101-A105 VanDerWaalsContact O-CB 3.29Å; H101-A105 WeakPolarHBondContact O-CB 3.39Å; H101-A105 PolarHBondContact O-N 3.06Å; M102-A105 PolarHBondContact O-N 2.87Å; E103-A105 VanDerWaalsContact C-N 3.35Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.5Å; A105-E108 PolarHBondContact O-N 2.87Å; A105-E108 VanDerWaalsContact O-N 3.11Å; A105-F109 HydrophobicContact CB-CD2 4.26Å; A105-F109 HydrophobicContact CB-CE2 4.15Å; A105-F109 WeakPolarHBondContact O-CD2 3.36Å; A105-F109 PolarHBondContact O-N 3.46Å; A105-L119 HydrophobicContact CB-CD1 4.21Å
106A96.1Very high93.2Very high1 Ų167.5 Ų67.51%0.00837%0.365CS..Hα-helixtrans-62.7-36.1178.400000113.4M102 E103 D104 E108 G110 G116 L119 L120M102-A106 WeakPolarHBondContact O-CB 3.33Å; M102-A106 PolarHBondContact O-N 2.95Å; E103-A106 WeakPolarHBondContact O-CB 3.45Å; E103-A106 PolarHBondContact O-N 3.49Å; D104-A106 VanDerWaalsContact C-N 3.34Å; D104-A106 PolarHBondContact O-N 3.2Å; A106-E108 VanDerWaalsContact C-N 3.31Å; A106-G110 CarbonylContact O-C 3.56Å; A106-G110 PolarHBondContact O-N 3.4Å; A106-G116 VanDerWaalsContact CB-O 3.29Å; A106-G116 WeakPolarHBondContact CB-O 3.37Å; A106-L119 HydrophobicContact CB-CB 3.8Å; A106-L120 HydrophobicContact CB-CD2 3.74Å; A106-L120 HydrophobicContact CB-CG 3.61Å
107K94.7Very high93.2Very high127 Ų12768.4 Ų68.455%0.55237%0.373SS*.Hα-helixtrans-63.9-38.2173.7-68.2165.2-158.91570111.3E103 D104 A105E103-K107 WeakPolarHBondContact O-CG 3.26Å; E103-K107 PolarHBondContact O-N 2.99Å; D104-K107 PolarHBondContact O-N 2.95Å; D104-K107 IonicContact OD1-NZ 3.61Å; D104-K107 PolarHBondContact OD1-NZ 3.45Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.5Å
108E96.1Very high93.3Very high173 Ų17366.4 Ų66.481%0.80837%0.365SS*.Hα-helixtrans-74.6-43.2179.2-167.7174.7-168.700112.7D104 A105 A106 G110D104-E108 PolarHBondContact O-N 3.47Å; A105-E108 PolarHBondContact O-N 2.87Å; A105-E108 VanDerWaalsContact O-N 3.11Å; A106-E108 VanDerWaalsContact C-N 3.31Å; E108-G110 PolarHBondContact O-N 2.93Å
109F93.5Very high93.3Very high115 Ų11563.6 Ų63.650%0.50435%0.35SS..Hα-helixtrans-69.1-22.6174.9-73-62.7000113.3A105 Y115 L119A105-F109 HydrophobicContact CB-CD2 4.26Å; A105-F109 HydrophobicContact CB-CE2 4.15Å; A105-F109 WeakPolarHBondContact O-CD2 3.36Å; A105-F109 PolarHBondContact O-N 3.46Å; F109-Y115 HydrophobicContact CD1-CD1 4.42Å; F109-Y115 AromaticContact CD2-CD1 3.98Å; F109-Y115 HydrophobicContact CD2-CD1 3.98Å; F109-Y115 AromaticContact CD2-CE1 3.8Å; F109-Y115 HydrophobicContact CD2-CE1 3.8Å; F109-Y115 HydrophobicContact CE1-CE1 4.46Å; F109-Y115 HydrophobicContact CE2-CD1 4.24Å; F109-Y115 AromaticContact CE2-CE1 3.63Å; F109-Y115 HydrophobicContact CE2-CE1 3.63Å; F109-Y115 HydrophobicContact CG-CD1 4.11Å; F109-Y115 HydrophobicContact CG-CE1 4.33Å; F109-Y115 AromaticContact CZ-CE1 3.99Å; F109-Y115 HydrophobicContact CZ-CE1 3.99Å; F109-L119 HydrophobicContact CD2-CD1 3.87Å; F109-L119 HydrophobicContact CE2-CD1 4.28Å
110G88.4Confident93.2Very high21 Ų2166 Ų6622%0.21636%0.363CS..  trans89.4130-178.600000112.1A106 E108 G112 T113A106-G110 CarbonylContact O-C 3.56Å; A106-G110 PolarHBondContact O-N 3.4Å; E108-G110 PolarHBondContact O-N 2.93Å; G110-G112 PolarHBondContact O-N 3.46Å; G110-G112 VanDerWaalsContact O-N 3.14Å; G110-T113 PolarHBondContact O-N 3.23Å; G110-T113 VanDerWaalsContact O-N 3.16Å; G110-T113 PolarHBondContact O-OG1 3.03Å
111P82.8Confident93.2Very high88 Ų8865.1 Ų65.157%0.57136%0.358SS*.THydrogen-bonded Turntrans-69.7-13.3-174.929.1-36.5000113.7T113 L120P111-T113 PolarHBondContact O-N 2.84Å; P111-L120 HydrophobicContact CB-CD1 4.06Å
112G84.9Confident93.2Very high83 Ų8361 Ų6186%0.85634%0.341SS*.THydrogen-bonded Turntrans-75.8-9175.100000114G110G110-G112 PolarHBondContact O-N 3.46Å; G110-G112 VanDerWaalsContact O-N 3.14Å
113T89.8Confident93.2Very high54 Ų5459 Ų5933%0.33133%0.331SS..SBendtrans-88.2148174.566.40000110.4G110 P111 Y115 G116 S117G110-T113 PolarHBondContact O-N 3.23Å; G110-T113 VanDerWaalsContact O-N 3.16Å; G110-T113 PolarHBondContact O-OG1 3.03Å; P111-T113 PolarHBondContact O-N 2.84Å; T113-Y115 PolarHBondContact O-N 3.33Å; T113-G116 PolarHBondContact O-N 3.44Å; T113-G116 PolarHBondContact OG1-N 2.66Å; T113-S117 PolarHBondContact O-N 3.4Å; T113-S117 PolarHBondContact O-OG 3.47Å
114P89.6Confident93.2Very high71 Ų7161.1 Ų61.146%0.46134%0.343SS..Hα-helixtrans-58.9-34.4173.721.2-31.6000112S117 T118 V289P114-S117 WeakPolarHBondContact CA-OG 3.26Å; P114-S117 PolarHBondContact O-OG 2.92Å; P114-S117 VanDerWaalsContact O-OG 3.14Å; P114-T118 VanDerWaalsContact O-CB 3.25Å; P114-T118 WeakPolarHBondContact O-CB 3.44Å; P114-T118 PolarHBondContact O-N 2.98Å; P114-T118 PolarHBondContact O-OG1 3.36Å; P114-V289 HydrophobicContact CB-CG1 3.76Å; P114-V289 HydrophobicContact CG-CG1 4.37Å
115Y91.9Very high93.3Very high137 Ų13758 Ų5854%0.53733%0.326SS..Hα-helixtrans-69.7-48.4177.6-173.1-123.2000112.3F109 T113 T118 L119F109-Y115 HydrophobicContact CD1-CD1 4.42Å; F109-Y115 AromaticContact CD2-CD1 3.98Å; F109-Y115 HydrophobicContact CD2-CD1 3.98Å; F109-Y115 AromaticContact CD2-CE1 3.8Å; F109-Y115 HydrophobicContact CD2-CE1 3.8Å; F109-Y115 HydrophobicContact CE1-CE1 4.46Å; F109-Y115 HydrophobicContact CE2-CD1 4.24Å; F109-Y115 AromaticContact CE2-CE1 3.63Å; F109-Y115 HydrophobicContact CE2-CE1 3.63Å; F109-Y115 HydrophobicContact CG-CD1 4.11Å; F109-Y115 HydrophobicContact CG-CE1 4.33Å; F109-Y115 AromaticContact CZ-CE1 3.99Å; F109-Y115 HydrophobicContact CZ-CE1 3.99Å; T113-Y115 PolarHBondContact O-N 3.33Å; Y115-T118 PolarHBondContact O-N 2.7Å; Y115-L119 HydrophobicContact CD1-CD1 3.9Å; Y115-L119 HydrophobicContact CD2-CG 4.45Å; Y115-L119 HydrophobicContact CE1-CD1 3.55Å; Y115-L119 HydrophobicContact CE1-CG 4.35Å; Y115-L119 HydrophobicContact CE2-CD1 4.24Å; Y115-L119 HydrophobicContact CE2-CD2 4.36Å; Y115-L119 HydrophobicContact CE2-CG 4.16Å; Y115-L119 HydrophobicContact CG-CD1 4.39Å; Y115-L119 WeakPolarHBondContact O-CB 3.06Å; Y115-L119 WeakPolarHBondContact O-CG 3.48Å; Y115-L119 PolarHBondContact O-N 3.14Å
116G94.1Very high93.3Very high0 Ų058.6 Ų58.60%033%0.325CS..Hα-helixtrans-62.9-44.3177.700000112.9A106 T113 T118 L119 L120A106-G116 VanDerWaalsContact CB-O 3.29Å; A106-G116 WeakPolarHBondContact CB-O 3.37Å; T113-G116 PolarHBondContact O-N 3.44Å; T113-G116 PolarHBondContact OG1-N 2.66Å; G116-T118 VanDerWaalsContact C-N 3.35Å; G116-T118 PolarHBondContact O-N 2.72Å; G116-L119 PolarHBondContact O-N 3.41Å; G116-L120 PolarHBondContact O-N 2.79Å
117S92.6Very high93.3Very high45 Ų4563.3 Ų63.332%0.31534%0.342SS..Hα-helixtrans-64.8-36.117653.70000113.1T113 P114 K121T113-S117 PolarHBondContact O-N 3.4Å; T113-S117 PolarHBondContact O-OG 3.47Å; P114-S117 WeakPolarHBondContact CA-OG 3.26Å; P114-S117 PolarHBondContact O-OG 2.92Å; P114-S117 VanDerWaalsContact O-OG 3.14Å; S117-K121 PolarHBondContact O-N 2.89Å
118T94.3Very high93.3Very high49 Ų4960.6 Ų60.630%0.30133%0.328SS..Hα-helixtrans-67.8-44173.6-60.60000111.7P114 Y115 G116 L120 K121 V122 L282P114-T118 VanDerWaalsContact O-CB 3.25Å; P114-T118 WeakPolarHBondContact O-CB 3.44Å; P114-T118 PolarHBondContact O-N 2.98Å; P114-T118 PolarHBondContact O-OG1 3.36Å; Y115-T118 PolarHBondContact O-N 2.7Å; G116-T118 VanDerWaalsContact C-N 3.35Å; G116-T118 PolarHBondContact O-N 2.72Å; T118-L120 VanDerWaalsContact C-N 3.28Å; T118-L120 PolarHBondContact O-N 2.93Å; T118-K121 PolarHBondContact O-N 3.21Å; T118-K121 VanDerWaalsContact O-N 3.15Å; T118-V122 HydrophobicContact CG2-CG2 4.26Å; T118-V122 WeakPolarHBondContact O-CG2 3.18Å; T118-V122 PolarHBondContact O-N 3.38Å; T118-L282 HydrophobicContact CG2-CD2 3.82Å
119L95.9Very high93.4Very high22 Ų2253.7 Ų53.712%0.11530%0.297CS..Hα-helixtrans-59.1-37.8176.6-78.5174.3000112.3M102 A105 A106 F109 Y115 G116 G123M102-L119 HydrophobicContact CB-CD2 4.48Å; M102-L119 HydrophobicContact CG-CD2 4.41Å; A105-L119 HydrophobicContact CB-CD1 4.21Å; A106-L119 HydrophobicContact CB-CB 3.8Å; F109-L119 HydrophobicContact CD2-CD1 3.87Å; F109-L119 HydrophobicContact CE2-CD1 4.28Å; Y115-L119 HydrophobicContact CD1-CD1 3.9Å; Y115-L119 HydrophobicContact CD2-CG 4.45Å; Y115-L119 HydrophobicContact CE1-CD1 3.55Å; Y115-L119 HydrophobicContact CE1-CG 4.35Å; Y115-L119 HydrophobicContact CE2-CD1 4.24Å; Y115-L119 HydrophobicContact CE2-CD2 4.36Å; Y115-L119 HydrophobicContact CE2-CG 4.16Å; Y115-L119 HydrophobicContact CG-CD1 4.39Å; Y115-L119 WeakPolarHBondContact O-CB 3.06Å; Y115-L119 WeakPolarHBondContact O-CG 3.48Å; Y115-L119 PolarHBondContact O-N 3.14Å; G116-L119 PolarHBondContact O-N 3.41Å; L119-G123 PolarHBondContact O-N 2.93Å
120L95.3Very high93.3Very high52 Ų5248.2 Ų48.227%0.27227%0.273SS..Hα-helixtrans-60.1-49.7173.2-74.9172.4000111.7E103 A106 P111 G116 T118 V122 G123 D124E103-L120 HydrophobicContact CG-CD2 4.31Å; A106-L120 HydrophobicContact CB-CD2 3.74Å; A106-L120 HydrophobicContact CB-CG 3.61Å; P111-L120 HydrophobicContact CB-CD1 4.06Å; G116-L120 PolarHBondContact O-N 2.79Å; T118-L120 VanDerWaalsContact C-N 3.28Å; T118-L120 PolarHBondContact O-N 2.93Å; L120-V122 PolarHBondContact O-N 2.74Å; L120-G123 PolarHBondContact O-N 3.26Å; L120-D124 WeakPolarHBondContact O-CB 3.49Å; L120-D124 PolarHBondContact O-N 3.41Å
121K95.4Very high93.5Very high59 Ų5948.9 Ų48.926%0.25728%0.276SS..Hα-helixtrans-61.4-45.3-179.2-68178.7176.5-1710112.3S117 T118 C125 L278 E281 L282 S285S117-K121 PolarHBondContact O-N 2.89Å; T118-K121 PolarHBondContact O-N 3.21Å; T118-K121 VanDerWaalsContact O-N 3.15Å; K121-C125 WeakPolarHBondContact O-CB 3.46Å; K121-C125 PolarHBondContact O-N 2.98Å; K121-C125 VanDerWaalsContact O-N 3.14Å; K121-L278 HydrophobicContact CB-CD1 4.23Å; K121-E281 HydrophobicContact CD-CB 4.37Å; K121-E281 PolarHBondContact NZ-O 2.89Å; K121-E281 VanDerWaalsContact NZ-O 3.17Å; K121-L282 HydrophobicContact CB-CD2 4.43Å; K121-L282 HydrophobicContact CD-CD2 4.24Å; K121-S285 PolarHBondContact NZ-OG 3.27Å
122V96.9Very high94.1Very high30 Ų3044.8 Ų44.818%0.18225%0.25CC..Hα-helixtrans-66.9-45178.3-179.10000110.3M102 T118 L120 D124 C125 E126 L278 L282M102-V122 HydrophobicContact CE-CG1 4.09Å; M102-V122 HydrophobicContact SD-CB 4.25Å; M102-V122 HydrophobicContact SD-CG1 3.67Å; T118-V122 HydrophobicContact CG2-CG2 4.26Å; T118-V122 WeakPolarHBondContact O-CG2 3.18Å; T118-V122 PolarHBondContact O-N 3.38Å; L120-V122 PolarHBondContact O-N 2.74Å; V122-D124 PolarHBondContact O-N 3.4Å; V122-C125 WeakPolarHBondContact O-CB 3.29Å; V122-C125 PolarHBondContact O-N 3.41Å; V122-C125 VanDerWaalsContact O-N 3.13Å; V122-E126 HydrophobicContact CG1-CG 4.39Å; V122-E126 WeakPolarHBondContact O-CG 2.79Å; V122-E126 PolarHBondContact O-N 3.42Å; V122-L278 HydrophobicContact CG2-CD1 4.26Å; V122-L278 HydrophobicContact CG2-CD2 4.44Å; V122-L282 HydrophobicContact CG2-CD1 4.44Å
123G96.8Very high94.4Very high0 Ų043.4 Ų43.40%022%0.221CC..Hα-helixtrans-60.6-44178.400000113.3G99 L119 L120 C125 E126 R127G99-G123 WeakPolarHBondContact CA-O 3.13Å; L119-G123 PolarHBondContact O-N 2.93Å; L120-G123 PolarHBondContact O-N 3.26Å; G123-C125 VanDerWaalsContact C-N 3.28Å; G123-C125 PolarHBondContact O-N 3.5Å; G123-E126 PolarHBondContact O-N 3.5Å; G123-R127 PolarHBondContact O-N 2.97Å
124D96.3Very high94.4Very high63 Ų6344.2 Ų44.234%0.33722%0.218SC..Hα-helixtrans-60.6-38174.2-81.8-29000111.8E103 L120 V122 R127 R128E103-D124 VanDerWaalsContact OE1-OD1 3.07Å; L120-D124 WeakPolarHBondContact O-CB 3.49Å; L120-D124 PolarHBondContact O-N 3.41Å; V122-D124 PolarHBondContact O-N 3.4Å; D124-R127 IonicContact OD1-CZ 3.66Å; D124-R127 IonicContact OD1-NE 2.83Å; D124-R127 IonicContact OD1-NH2 2.72Å; D124-R127 PolarHBondContact OD1-NH2 3.03Å; D124-R128 WeakPolarHBondContact O-CG 3.45Å; D124-R128 PolarHBondContact O-N 2.93Å
125C97.3Very high94.5Very high0 Ų046 Ų460%022%0.22CC..Hα-helixtrans-70.2-43.7177.1-164.70000112.4K121 V122 G123 R127 R128 L129 H274 M275 L278K121-C125 WeakPolarHBondContact O-CB 3.46Å; K121-C125 PolarHBondContact O-N 2.98Å; K121-C125 VanDerWaalsContact O-N 3.14Å; V122-C125 WeakPolarHBondContact O-CB 3.29Å; V122-C125 PolarHBondContact O-N 3.41Å; V122-C125 VanDerWaalsContact O-N 3.13Å; G123-C125 VanDerWaalsContact C-N 3.28Å; G123-C125 PolarHBondContact O-N 3.5Å; C125-R127 VanDerWaalsContact C-N 3.32Å; C125-R127 PolarHBondContact O-N 3.43Å; C125-R128 WeakPolarHBondContact O-CB 3.48Å; C125-R128 PolarHBondContact O-N 3.24Å; C125-R128 VanDerWaalsContact O-N 3.08Å; C125-L129 PolarHBondContact O-N 3Å; C125-H274 PolarHBondContact SG-O 3.48Å; C125-M275 HydrophobicContact CB-CE 4.42Å; C125-M275 WeakPolarHBondContact SG-CE 3.33Å; C125-L278 HydrophobicContact CB-CB 4.3Å; C125-L278 HydrophobicContact CB-CD1 4.15Å; C125-L278 HydrophobicContact CB-CD2 3.9Å; C125-L278 HydrophobicContact CB-CG 4.34Å
126E97.1Very high94.6Very high41 Ų4140.5 Ų40.519%0.19220%0.199CC..Hα-helixtrans-59.8-40.7175.4-71.9-61.4156.900111.8L98 M102 V122 G123 R128 L129 G130L98-E126 HydrophobicContact CD2-CG 4.34Å; M102-E126 HydrophobicContact SD-CG 4.25Å; V122-E126 HydrophobicContact CG1-CG 4.39Å; V122-E126 WeakPolarHBondContact O-CG 2.79Å; V122-E126 PolarHBondContact O-N 3.42Å; G123-E126 PolarHBondContact O-N 3.5Å; E126-R128 VanDerWaalsContact C-N 3.35Å; E126-R128 PolarHBondContact O-N 3.29Å; E126-L129 PolarHBondContact O-N 3.18Å; E126-G130 PolarHBondContact O-N 2.99Å
127R95.4Very high94.4Very high100 Ų10042.1 Ų42.138%0.37721%0.208SC..Hα-helixtrans-62-40.6172.3-73.3-163.7-57.1141.8-4.1112.7E103 G123 D124 C125 G130 A131E103-R127 WeakPolarHBondContact OE1-CD 3.2Å; E103-R127 IonicContact OE1-CZ 3.75Å; E103-R127 IonicContact OE1-NE 3.16Å; E103-R127 PolarHBondContact OE1-NE 2.89Å; E103-R127 IonicContact OE1-NH2 3.74Å; E103-R127 PolarHBondContact OE1-NH2 3.29Å; E103-R127 VanDerWaalsContact OE1-NH2 3.13Å; E103-R127 IonicContact OE2-NE 2.71Å; G123-R127 PolarHBondContact O-N 2.97Å; D124-R127 IonicContact OD1-CZ 3.66Å; D124-R127 IonicContact OD1-NE 2.83Å; D124-R127 IonicContact OD1-NH2 2.72Å; D124-R127 PolarHBondContact OD1-NH2 3.03Å; C125-R127 VanDerWaalsContact C-N 3.32Å; C125-R127 PolarHBondContact O-N 3.43Å; R127-G130 PolarHBondContact O-N 3.39Å; R127-A131 WeakPolarHBondContact O-CB 3.44Å; R127-A131 PolarHBondContact O-N 3.16Å
128R96.2Very high94.2Very high69 Ų6945.6 Ų45.626%0.2622%0.219SC..Hα-helixtrans-65.3-39.8176.5-74.7-175.1-71.8150.8-21.8112.2D124 C125 E126 A131 A132 H274 E277D124-R128 WeakPolarHBondContact O-CG 3.45Å; D124-R128 PolarHBondContact O-N 2.93Å; C125-R128 WeakPolarHBondContact O-CB 3.48Å; C125-R128 PolarHBondContact O-N 3.24Å; C125-R128 VanDerWaalsContact O-N 3.08Å; E126-R128 VanDerWaalsContact C-N 3.35Å; E126-R128 PolarHBondContact O-N 3.29Å; R128-A131 PolarHBondContact O-N 3.02Å; R128-A132 PolarHBondContact O-N 3.01Å; R128-A132 VanDerWaalsContact O-N 3.09Å; R128-H274 PolarHBondContact NH1-ND1 2.95Å; R128-H274 VanDerWaalsContact NH1-ND1 3.12Å; R128-E277 IonicContact CZ-OE2 3.79Å; R128-E277 IonicContact NH1-OE2 3.26Å; R128-E277 PolarHBondContact NH1-OE2 3.31Å; R128-E277 IonicContact NH2-OE2 3.52Å
129L96.3Very high94.1Very high29 Ų2946 Ų4615%0.15222%0.222CC..Hα-helixtrans-61.3-48.7172.9-75.6-177.8000111.4C125 E126 A131 A132 E133 H274 M275C125-L129 PolarHBondContact O-N 3Å; E126-L129 PolarHBondContact O-N 3.18Å; L129-A131 VanDerWaalsContact C-N 3.31Å; L129-A131 PolarHBondContact O-N 3.45Å; L129-A132 WeakPolarHBondContact O-CB 3.32Å; L129-A132 PolarHBondContact O-N 2.86Å; L129-A132 VanDerWaalsContact O-N 3.15Å; L129-E133 PolarHBondContact O-N 3.01Å; L129-H274 HydrophobicContact CD2-CB 4.06Å; L129-M275 HydrophobicContact CD1-CE 3.31Å; L129-M275 HydrophobicContact CD1-SD 3.95Å; L129-M275 HydrophobicContact CD2-CE 4.23Å; L129-M275 HydrophobicContact CG-CE 3.85Å
130G93.1Very high93.9Very high0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-66.3-32.5179.800000113.5T93 E126 R127 E133 R134T93-G130 WeakPolarHBondContact CG2-O 2.89Å; T93-G130 WeakPolarHBondContact OG1-CA 3.27Å; T93-G130 PolarHBondContact OG1-O 2.91Å; E126-G130 PolarHBondContact O-N 2.99Å; R127-G130 PolarHBondContact O-N 3.39Å; G130-E133 PolarHBondContact O-N 2.74Å; G130-R134 PolarHBondContact O-N 2.77Å
131A92.4Very high93.6Very high34 Ų3443.9 Ų43.928%0.28121%0.214SC..Hα-helixtrans-64.7-41.1170.900000112.6R127 R128 L129 E133 R134 E135R127-A131 WeakPolarHBondContact O-CB 3.44Å; R127-A131 PolarHBondContact O-N 3.16Å; R128-A131 PolarHBondContact O-N 3.02Å; L129-A131 VanDerWaalsContact C-N 3.31Å; L129-A131 PolarHBondContact O-N 3.45Å; A131-E133 VanDerWaalsContact C-N 3.35Å; A131-R134 PolarHBondContact O-N 3.16Å; A131-E135 PolarHBondContact O-N 2.95Å
132A94.6Very high93.2Very high2 Ų246 Ų462%0.01723%0.227CC..Hα-helixtrans-64.3-39.1174.500000111.9R128 L129 E135 F136 Y267 Q270R128-A132 PolarHBondContact O-N 3.01Å; R128-A132 VanDerWaalsContact O-N 3.09Å; L129-A132 WeakPolarHBondContact O-CB 3.32Å; L129-A132 PolarHBondContact O-N 2.86Å; L129-A132 VanDerWaalsContact O-N 3.15Å; A132-E135 PolarHBondContact O-N 3.36Å; A132-F136 WeakPolarHBondContact O-CB 3.44Å; A132-F136 PolarHBondContact O-N 2.91Å; A132-Y267 HydrophobicContact CB-CD2 4.2Å; A132-Y267 HydrophobicContact CB-CE2 4.28Å; A132-Q270 HydrophobicContact CB-CG 4.11Å
133E92.1Very high93Very high55 Ų5545.4 Ų45.426%0.25723%0.225SC..Hα-helixtrans-62-46.7174.8-179-177.6-161.700111.3T93 L129 G130 A131 E135 F136 I137 Y267T93-E133 WeakPolarHBondContact CB-OE2 3.41Å; T93-E133 HydrophobicContact CG2-CB 4.39Å; T93-E133 HydrophobicContact CG2-CG 4.37Å; L129-E133 PolarHBondContact O-N 3.01Å; G130-E133 PolarHBondContact O-N 2.74Å; A131-E133 VanDerWaalsContact C-N 3.35Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E133-E135 PolarHBondContact O-N 3.05Å; E133-F136 WeakPolarHBondContact O-CB 3.3Å; E133-F136 PolarHBondContact O-N 2.82Å; E133-I137 HydrophobicContact CG-CD1 3.97Å; E133-I137 VanDerWaalsContact O-CG1 3.32Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 2.85Å; E133-Y267 VanDerWaalsContact CA-CE2 3.42Å; E133-Y267 HydrophobicContact CB-CE2 3.84Å
134R89.1Confident92.9Very high71 Ų7145.6 Ų45.627%0.26823%0.226SC..Hα-helixtrans-59.4-45.2175.817417949.6-119-8.8112.1S90 T93 E96 G130 A131 F136 I137 Q138S90-R134 WeakPolarHBondContact OG-CD 3.39Å; T93-R134 HydrophobicContact CG2-CB 3.99Å; E96-R134 IonicContact OE1-CZ 2.6Å; E96-R134 IonicContact OE1-NH1 3.58Å; E96-R134 PolarHBondContact OE1-NH1 2.81Å; E96-R134 IonicContact OE1-NH2 3.86Å; E96-R134 PolarHBondContact OE1-NH2 2.79Å; E96-R134 IonicContact OE2-CZ 3.95Å; E96-R134 IonicContact OE2-NH1 3.91Å; E96-R134 PolarHBondContact OE2-NH1 3.26Å; G130-R134 PolarHBondContact O-N 2.77Å; A131-R134 PolarHBondContact O-N 3.16Å; R134-F136 VanDerWaalsContact C-N 3.3Å; R134-F136 PolarHBondContact O-N 3.42Å; R134-I137 PolarHBondContact O-N 2.69Å; R134-Q138 WeakPolarHBondContact O-CB 3.45Å; R134-Q138 PolarHBondContact O-N 3.24Å
135E91.9Very high92.6Very high109 Ų10943.3 Ų43.351%0.50921%0.213SC..Hα-helixtrans-61.3-40.9177.9-177.6173.6-17200111.4A131 A132 E133 Q138 T139A131-E135 PolarHBondContact O-N 2.95Å; A132-E135 PolarHBondContact O-N 3.36Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E133-E135 PolarHBondContact O-N 3.05Å; E135-Q138 PolarHBondContact O-N 2.84Å; E135-T139 VanDerWaalsContact O-CB 3.26Å; E135-T139 WeakPolarHBondContact O-CB 3.35Å; E135-T139 PolarHBondContact O-N 2.87Å; E135-T139 PolarHBondContact O-OG1 3.34Å
136F93.8Very high92.3Very high20 Ų2046.4 Ų46.49%0.08823%0.23CC..Hα-helixtrans-62-47174.8168.7-116.9000112.6L64 A132 E133 R134 T139 S140 F260 A263 Q264 Y267L64-F136 HydrophobicContact CD2-CD1 4.09Å; L64-F136 HydrophobicContact CD2-CE1 3.33Å; L64-F136 HydrophobicContact CD2-CE2 4.46Å; L64-F136 HydrophobicContact CD2-CZ 3.54Å; A132-F136 WeakPolarHBondContact O-CB 3.44Å; A132-F136 PolarHBondContact O-N 2.91Å; E133-F136 WeakPolarHBondContact O-CB 3.3Å; E133-F136 PolarHBondContact O-N 2.82Å; R134-F136 VanDerWaalsContact C-N 3.3Å; R134-F136 PolarHBondContact O-N 3.42Å; F136-T139 PolarHBondContact O-N 3.47Å; F136-S140 WeakPolarHBondContact CE2-OG 3.47Å; F136-S140 VanDerWaalsContact O-CB 3.28Å; F136-S140 WeakPolarHBondContact O-CB 3.49Å; F136-S140 PolarHBondContact O-N 3.05Å; F136-S140 PolarHBondContact O-OG 2.83Å; F136-F260 HydrophobicContact CE2-CE2 4.47Å; F136-F260 HydrophobicContact CZ-CE2 4.3Å; F136-A263 HydrophobicContact CD2-CB 4.21Å; F136-A263 HydrophobicContact CE2-CB 4.32Å; F136-Q264 HydrophobicContact CE2-CB 4.16Å; F136-Q264 HydrophobicContact CE2-CG 3.42Å; F136-Q264 VanDerWaalsContact CE2-CG 3.42Å; F136-Q264 HydrophobicContact CZ-CG 3.53Å; F136-Y267 HydrophobicContact CB-CD2 3.88Å; F136-Y267 HydrophobicContact CB-CG 3.82Å; F136-Y267 AromaticContact CD1-CD1 3.98Å; F136-Y267 HydrophobicContact CD1-CD1 3.98Å; F136-Y267 HydrophobicContact CD1-CE1 4.37Å; F136-Y267 HydrophobicContact CD1-CG 4.1Å; F136-Y267 HydrophobicContact CD2-CG 4.44Å; F136-Y267 HydrophobicContact CE1-CD1 4.45Å; F136-Y267 HydrophobicContact CG-CD1 4.15Å; F136-Y267 HydrophobicContact CG-CD2 4.36Å; F136-Y267 AromaticContact CG-CG 3.84Å; F136-Y267 HydrophobicContact CG-CG 3.84Å
137I89.9Confident92.1Very high35 Ų3545.6 Ų45.618%0.17923%0.228CC..Hα-helixtrans-59.9-48.9177.1-68.2165.5000110.1L64 E133 R134 S140 A141L64-I137 HydrophobicContact CB-CG1 4.4Å; L64-I137 HydrophobicContact CB-CG2 4.45Å; L64-I137 HydrophobicContact CD2-CG1 4.4Å; L64-I137 WeakPolarHBondContact O-CD1 3.43Å; E133-I137 HydrophobicContact CG-CD1 3.97Å; E133-I137 VanDerWaalsContact O-CG1 3.32Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 2.85Å; R134-I137 PolarHBondContact O-N 2.69Å; I137-S140 PolarHBondContact O-N 2.8Å; I137-A141 WeakPolarHBondContact O-CB 3.43Å; I137-A141 PolarHBondContact O-N 2.94Å
138Q88.4Confident92Very high117 Ų11741 Ų4155%0.54721%0.211SC..Hα-helixtrans-63.2-46.5-179.3-177.5178.9400111.9R134 E135 S140 A141 I142R134-Q138 WeakPolarHBondContact O-CB 3.45Å; R134-Q138 PolarHBondContact O-N 3.24Å; E135-Q138 PolarHBondContact O-N 2.84Å; Q138-S140 PolarHBondContact O-N 3.17Å; Q138-A141 PolarHBondContact O-N 3.34Å; Q138-I142 HydrophobicContact CG-CD1 3.92Å; Q138-I142 WeakPolarHBondContact O-CG1 3.36Å; Q138-I142 PolarHBondContact O-N 3.15Å; Q138-I142 VanDerWaalsContact O-N 3.08Å
139T91.3Very high91.8Very high59 Ų5939.8 Ų39.836%0.36221%0.206SC..Hα-helixtrans-60.7-48.6179.7-60.20000110.1E135 F136 A141 I142 S143 A263E135-T139 VanDerWaalsContact O-CB 3.26Å; E135-T139 WeakPolarHBondContact O-CB 3.35Å; E135-T139 PolarHBondContact O-N 2.87Å; E135-T139 PolarHBondContact O-OG1 3.34Å; F136-T139 PolarHBondContact O-N 3.47Å; T139-A141 VanDerWaalsContact C-N 3.32Å; T139-A141 PolarHBondContact O-N 2.68Å; T139-I142 PolarHBondContact O-N 3.36Å; T139-S143 WeakPolarHBondContact O-CB 3.38Å; T139-S143 PolarHBondContact O-N 3.12Å; T139-S143 PolarHBondContact O-OG 3.42Å; T139-A263 HydrophobicContact CG2-CB 4Å
140S92.8Very high91.6Very high0 Ų043.5 Ų43.50%023%0.226CC..Hα-helixtrans-63.8-35.8178.6-58.10000112.7F136 I137 Q138 F144 L145F136-S140 WeakPolarHBondContact CE2-OG 3.47Å; F136-S140 VanDerWaalsContact O-CB 3.28Å; F136-S140 WeakPolarHBondContact O-CB 3.49Å; F136-S140 PolarHBondContact O-N 3.05Å; F136-S140 PolarHBondContact O-OG 2.83Å; I137-S140 PolarHBondContact O-N 2.8Å; Q138-S140 PolarHBondContact O-N 3.17Å; S140-F144 WeakPolarHBondContact O-CA 3.36Å; S140-F144 VanDerWaalsContact O-CB 3.24Å; S140-F144 WeakPolarHBondContact O-CB 3.36Å; S140-F144 PolarHBondContact O-N 3.08Å; S140-L145 PolarHBondContact O-N 3.13Å
141A89.3Confident91.7Very high29 Ų2943.7 Ų43.724%0.2423%0.227CC..Iπ-helixtrans-62.3-45.1174.700000111.5I137 Q138 T139 L145 N146I137-A141 WeakPolarHBondContact O-CB 3.43Å; I137-A141 PolarHBondContact O-N 2.94Å; Q138-A141 PolarHBondContact O-N 3.34Å; T139-A141 VanDerWaalsContact C-N 3.32Å; T139-A141 PolarHBondContact O-N 2.68Å; A141-L145 PolarHBondContact O-N 3.4Å; A141-N146 WeakPolarHBondContact O-CB 3.4Å; A141-N146 PolarHBondContact O-N 3.34Å
142I86.9Confident91.7Very high103 Ų10343.3 Ų43.353%0.52822%0.22SC..Iπ-helixtrans-73.8-47.9-177.2-64.9168000112Q138 T139 P147Q138-I142 HydrophobicContact CG-CD1 3.92Å; Q138-I142 WeakPolarHBondContact O-CG1 3.36Å; Q138-I142 PolarHBondContact O-N 3.15Å; Q138-I142 VanDerWaalsContact O-N 3.08Å; T139-I142 PolarHBondContact O-N 3.36Å; I142-P147 WeakPolarHBondContact O-CD 3.34Å
143S91.8Very high91.5Very high18 Ų1846.8 Ų46.813%0.12624%0.236CC..Iπ-helixtrans-84.6-24.2-172.464.30000113.6T139 C256 E259T139-S143 WeakPolarHBondContact O-CB 3.38Å; T139-S143 PolarHBondContact O-N 3.12Å; T139-S143 PolarHBondContact O-OG 3.42Å; S143-C256 WeakPolarHBondContact O-CB 3.12Å; S143-C256 PolarHBondContact O-SG 3.46Å; S143-E259 WeakPolarHBondContact CB-OE2 3.36Å
144F94.3Very high91.5Very high4 Ų445.7 Ų45.72%0.01824%0.24CC..Iπ-helixtrans-119.8-59.2-174.6-169.8-110.4000113.5I56 T60 S140 P147 L148 C256 L257 F260I56-F144 HydrophobicContact CG2-CE1 4.01Å; I56-F144 HydrophobicContact CG2-CZ 3.69Å; T60-F144 HydrophobicContact CG2-CD1 3.74Å; T60-F144 HydrophobicContact CG2-CE1 3.8Å; T60-F144 WeakPolarHBondContact OG1-CE1 3.43Å; S140-F144 WeakPolarHBondContact O-CA 3.36Å; S140-F144 VanDerWaalsContact O-CB 3.24Å; S140-F144 WeakPolarHBondContact O-CB 3.36Å; S140-F144 PolarHBondContact O-N 3.08Å; F144-P147 WeakPolarHBondContact O-CD 3.45Å; F144-L148 HydrophobicContact CD1-CD1 4.35Å; F144-L148 HydrophobicContact CE1-CD1 3.87Å; F144-L148 HydrophobicContact CE2-CD1 4.16Å; F144-L148 HydrophobicContact CZ-CD1 3.78Å; F144-L148 WeakPolarHBondContact O-CG 3Å; F144-L148 PolarHBondContact O-N 3.48Å; F144-C256 HydrophobicContact CD2-CB 3.77Å; F144-C256 WeakPolarHBondContact CD2-O 3.42Å; F144-C256 HydrophobicContact CE2-CB 4.35Å; F144-L257 HydrophobicContact CE2-CD2 3.55Å; F144-L257 HydrophobicContact CE2-CG 3.9Å; F144-L257 HydrophobicContact CZ-CD2 3.77Å; F144-F260 HydrophobicContact CB-CB 4.05Å; F144-F260 HydrophobicContact CB-CD2 4.19Å; F144-F260 HydrophobicContact CB-CG 4.4Å; F144-F260 HydrophobicContact CD1-CD2 4.15Å; F144-F260 HydrophobicContact CD1-CG 4.22Å; F144-F260 HydrophobicContact CD2-CB 3.82Å; F144-F260 HydrophobicContact CD2-CG 4.34Å; F144-F260 HydrophobicContact CE2-CB 4.4Å; F144-F260 HydrophobicContact CG-CB 3.88Å; F144-F260 HydrophobicContact CG-CD2 4.17Å; F144-F260 HydrophobicContact CG-CG 4.07Å
145L91.3Very high91.7Very high14 Ų1446.4 Ų46.47%0.07325%0.249CC..Iπ-helixtrans-66.8-45.7-173.9-67-178.6000112.9Y57 T60 E61 L64 S140 A141 L148 R149Y57-L145 HydrophobicContact CD2-CB 4.34Å; Y57-L145 HydrophobicContact CD2-CD2 3.82Å; Y57-L145 HydrophobicContact CE2-CB 3.98Å; Y57-L145 HydrophobicContact CE2-CD2 4.03Å; T60-L145 HydrophobicContact CG2-CD2 4.03Å; E61-L145 HydrophobicContact CB-CD1 4.42Å; L64-L145 HydrophobicContact CD1-CD1 3.85Å; L64-L145 HydrophobicContact CD1-CG 4.38Å; S140-L145 PolarHBondContact O-N 3.13Å; A141-L145 PolarHBondContact O-N 3.4Å; L145-L148 PolarHBondContact O-N 3.38Å; L145-R149 WeakPolarHBondContact O-CB 3.33Å; L145-R149 PolarHBondContact O-N 3.42Å
146N90.4Very high91.9Very high66 Ų6642.4 Ų42.435%0.35323%0.229SC..Hα-helixtrans-60.5-47.8-177.1-76.6-10.8000113.1A141 L148 R149 N150A141-N146 WeakPolarHBondContact O-CB 3.4Å; A141-N146 PolarHBondContact O-N 3.34Å; N146-L148 VanDerWaalsContact C-N 3.32Å; N146-L148 PolarHBondContact O-N 3.22Å; N146-R149 PolarHBondContact O-N 3.47Å; N146-N150 WeakPolarHBondContact O-CB 3.5Å; N146-N150 PolarHBondContact O-N 2.9Å; N146-N150 PolarHBondContact O-ND2 3.13Å
147P93Very high91.9Very high23 Ų2348.4 Ų48.415%0.14925%0.251CS..Hα-helixtrans-56.4-42.3173.4-28.935.9000113.8I142 F144 N150 F151I142-P147 WeakPolarHBondContact O-CD 3.34Å; F144-P147 WeakPolarHBondContact O-CD 3.45Å; P147-N150 PolarHBondContact O-N 3.1Å; P147-F151 PolarHBondContact O-N 3.46Å; P147-F151 VanDerWaalsContact O-N 3.1Å
148L93.4Very high92.2Very high5 Ų549.6 Ų49.63%0.02626%0.26CS..Hα-helixtrans-67.1-41.1177.7-61.2-173.8000111.5T53 I56 Y57 F144 L145 N146 F151 L152 H253T53-L148 HydrophobicContact CG2-CB 4.01Å; T53-L148 HydrophobicContact CG2-CD2 3.88Å; T53-L148 HydrophobicContact CG2-CG 4.34Å; I56-L148 HydrophobicContact CG2-CD1 4.41Å; Y57-L148 HydrophobicContact CD2-CB 4.09Å; F144-L148 HydrophobicContact CD1-CD1 4.35Å; F144-L148 HydrophobicContact CE1-CD1 3.87Å; F144-L148 HydrophobicContact CE2-CD1 4.16Å; F144-L148 HydrophobicContact CZ-CD1 3.78Å; F144-L148 WeakPolarHBondContact O-CG 3Å; F144-L148 PolarHBondContact O-N 3.48Å; L145-L148 PolarHBondContact O-N 3.38Å; N146-L148 VanDerWaalsContact C-N 3.32Å; N146-L148 PolarHBondContact O-N 3.22Å; L148-F151 PolarHBondContact O-N 2.74Å; L148-L152 VanDerWaalsContact O-CG 3.32Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.13Å; L148-H253 WeakPolarHBondContact CD2-CD2 3.37Å; L148-H253 WeakPolarHBondContact CD2-NE2 3.45Å
149R92.3Very high92.5Very high43 Ų4344.4 Ų44.416%0.16224%0.236CC..Hα-helixtrans-61.8-45.4175.2-175.1177.2173.2-144.7-9111.4Y57 E82 L145 N146 F151 L152 E153Y57-R149 HydrophobicContact CD2-CB 4.48Å; Y57-R149 HydrophobicContact CE2-CB 3.85Å; E82-R149 IonicContact OE1-NH1 3.76Å; E82-R149 IonicContact OE2-CZ 3.25Å; E82-R149 IonicContact OE2-NH1 2.67Å; E82-R149 PolarHBondContact OE2-NH1 3.4Å; E82-R149 IonicContact OE2-NH2 3.69Å; E82-R149 PolarHBondContact OE2-NH2 3.08Å; L145-R149 WeakPolarHBondContact O-CB 3.33Å; L145-R149 PolarHBondContact O-N 3.42Å; N146-R149 PolarHBondContact O-N 3.47Å; R149-F151 VanDerWaalsContact C-N 3.31Å; R149-F151 PolarHBondContact O-N 3.14Å; R149-L152 PolarHBondContact O-N 3.08Å; R149-L152 VanDerWaalsContact O-N 3.14Å; R149-E153 HydrophobicContact CG-CG 4.2Å; R149-E153 WeakPolarHBondContact CG-OE1 3.27Å; R149-E153 IonicContact CZ-OE1 3.23Å; R149-E153 IonicContact NE-OE1 2.76Å; R149-E153 PolarHBondContact NE-OE1 3.26Å; R149-E153 IonicContact NE-OE2 2.83Å; R149-E153 IonicContact NH2-OE1 3.33Å; R149-E153 IonicContact NH2-OE2 3.48Å; R149-E153 WeakPolarHBondContact O-CB 3.38Å; R149-E153 PolarHBondContact O-N 2.88Å
150N91.1Very high92.7Very high107 Ų10743 Ų4357%0.57223%0.229SC*.Hα-helixtrans-59.8-41.3177.9-72.7-17.6000111.8N146 P147 G154N146-N150 WeakPolarHBondContact O-CB 3.5Å; N146-N150 PolarHBondContact O-N 2.9Å; N146-N150 PolarHBondContact O-ND2 3.13Å; P147-N150 PolarHBondContact O-N 3.1Å; N150-G154 VanDerWaalsContact O-CA 3.29Å; N150-G154 WeakPolarHBondContact O-CA 3.26Å; N150-G154 PolarHBondContact O-N 3.3Å
151F94.8Very high92.9Very high4 Ų451 Ų512%0.01826%0.259CS..Iπ-helixtrans-62.5-47.7172.8170.3-106.4000112.1T49 T53 P147 L148 R149 D155 W156 T249 H253T49-F151 HydrophobicContact CG2-CE1 4.12Å; T49-F151 HydrophobicContact CG2-CZ 3.98Å; T53-F151 HydrophobicContact CG2-CD1 3.87Å; T53-F151 HydrophobicContact CG2-CE1 4.35Å; P147-F151 PolarHBondContact O-N 3.46Å; P147-F151 VanDerWaalsContact O-N 3.1Å; L148-F151 PolarHBondContact O-N 2.74Å; R149-F151 VanDerWaalsContact C-N 3.31Å; R149-F151 PolarHBondContact O-N 3.14Å; F151-D155 HydrophobicContact CD2-CB 3.74Å; F151-D155 HydrophobicContact CE2-CB 4.18Å; F151-D155 PolarHBondContact O-N 3.46Å; F151-W156 HydrophobicContact CZ-CE3 4.34Å; F151-W156 WeakPolarHBondContact O-CB 3.33Å; F151-W156 PolarHBondContact O-N 3.41Å; F151-T249 HydrophobicContact CB-CG2 4.33Å; F151-T249 HydrophobicContact CD2-CG2 3.35Å; F151-T249 HydrophobicContact CE2-CG2 3.67Å; F151-T249 HydrophobicContact CG-CG2 3.81Å; F151-T249 HydrophobicContact CZ-CG2 4.38Å; F151-H253 AromaticContact CD1-CE1 3.89Å
152L93.6Very high93.1Very high26 Ų2651.3 Ų51.314%0.13626%0.255CS..Iπ-helixtrans-68-40.3-177.2-68.9171.1000113.2K50 T53 E54 Y57 L148 R149K50-L152 HydrophobicContact CG-CD2 4.09Å; T53-L152 HydrophobicContact CG2-CD1 4.17Å; T53-L152 HydrophobicContact CG2-CD2 4.09Å; T53-L152 HydrophobicContact CG2-CG 4Å; E54-L152 HydrophobicContact CB-CD1 4.23Å; E54-L152 HydrophobicContact CB-CD2 4.16Å; Y57-L152 HydrophobicContact CG-CD1 4.43Å; L148-L152 VanDerWaalsContact O-CG 3.32Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.13Å; R149-L152 PolarHBondContact O-N 3.08Å; R149-L152 VanDerWaalsContact O-N 3.14Å
153E91.3Very high93.5Very high74 Ų7448.4 Ų48.435%0.34624%0.238SC..Iπ-helixtrans-91.4-20-175.8-66.6-170.1-158.500114R149 R157R149-E153 HydrophobicContact CG-CG 4.2Å; R149-E153 WeakPolarHBondContact CG-OE1 3.27Å; R149-E153 IonicContact CZ-OE1 3.23Å; R149-E153 IonicContact NE-OE1 2.76Å; R149-E153 PolarHBondContact NE-OE1 3.26Å; R149-E153 IonicContact NE-OE2 2.83Å; R149-E153 IonicContact NH2-OE1 3.33Å; R149-E153 IonicContact NH2-OE2 3.48Å; R149-E153 WeakPolarHBondContact O-CB 3.38Å; R149-E153 PolarHBondContact O-N 2.88Å; E153-R157 WeakPolarHBondContact O-CD 3.48Å; E153-R157 VanDerWaalsContact O-CG 3.32Å; E153-R157 WeakPolarHBondContact O-CG 3.33Å; E153-R157 PolarHBondContact O-NE 2.98Å; E153-R157 PolarHBondContact O-NH1 3.22Å
154G91.3Very high93.5Very high33 Ų3355.9 Ų55.934%0.3426%0.263SS..Iπ-helixtrans-105.7-81.9178.800000112N150 W156 R157 T158N150-G154 VanDerWaalsContact O-CA 3.29Å; N150-G154 WeakPolarHBondContact O-CA 3.26Å; N150-G154 PolarHBondContact O-N 3.3Å; G154-W156 PolarHBondContact O-N 3.44Å; G154-R157 PolarHBondContact O-N 2.93Å; G154-T158 PolarHBondContact O-N 3.43Å; G154-T158 PolarHBondContact O-OG1 3.18Å
155D92.9Very high93.5Very high85 Ų8558.7 Ų58.746%0.45528%0.278SS..Iπ-helixtrans-59.4-48.3-171.4-62.6-25.7000112F151 R157 T158 I159F151-D155 HydrophobicContact CD2-CB 3.74Å; F151-D155 HydrophobicContact CE2-CB 4.18Å; F151-D155 PolarHBondContact O-N 3.46Å; D155-R157 VanDerWaalsContact C-N 3.33Å; D155-R157 PolarHBondContact O-N 2.9Å; D155-T158 WeakPolarHBondContact O-CB 3.19Å; D155-T158 PolarHBondContact O-N 3.43Å; D155-T158 VanDerWaalsContact O-N 3.11Å; D155-I159 WeakPolarHBondContact O-CG1 3.44Å; D155-I159 PolarHBondContact O-N 3.42Å
156W95.5Very high93.6Very high26 Ų2658.4 Ų58.410%0.09828%0.277CS..Hα-helixtrans-65-34.7-179.2-177.7-101.8000112.9A46 K50 F151 G154 T158 I159 S160A46-W156 HydrophobicContact CB-CH2 4.4Å; A46-W156 HydrophobicContact CB-CZ3 4Å; A46-W156 WeakPolarHBondContact O-CH2 3.35Å; A46-W156 VanDerWaalsContact O-CZ3 3.27Å; A46-W156 WeakPolarHBondContact O-CZ3 3.45Å; K50-W156 HydrophobicContact CB-CD2 3.66Å; K50-W156 HydrophobicContact CB-CE3 3.7Å; K50-W156 HydrophobicContact CB-CG 4.38Å; K50-W156 HydrophobicContact CB-CH2 3.59Å; K50-W156 HydrophobicContact CB-CZ2 3.6Å; K50-W156 HydrophobicContact CB-CZ3 3.66Å; K50-W156 HydrophobicContact CD-CZ2 4.03Å; K50-W156 HydrophobicContact CG-CD2 3.64Å; K50-W156 HydrophobicContact CG-CE3 4.22Å; K50-W156 HydrophobicContact CG-CG 3.94Å; K50-W156 HydrophobicContact CG-CH2 4.27Å; K50-W156 HydrophobicContact CG-CZ2 3.74Å; K50-W156 HydrophobicContact CG-CZ3 4.5Å; F151-W156 HydrophobicContact CZ-CE3 4.34Å; F151-W156 WeakPolarHBondContact O-CB 3.33Å; F151-W156 PolarHBondContact O-N 3.41Å; G154-W156 PolarHBondContact O-N 3.44Å; W156-T158 VanDerWaalsContact C-N 3.25Å; W156-T158 PolarHBondContact O-N 2.89Å; W156-I159 HydrophobicContact CE3-CB 4.31Å; W156-I159 HydrophobicContact CE3-CD1 4.24Å; W156-I159 HydrophobicContact CE3-CG2 4.14Å; W156-I159 HydrophobicContact CZ3-CG2 4.08Å; W156-I159 PolarHBondContact O-N 2.72Å; W156-S160 WeakPolarHBondContact O-CB 3.28Å; W156-S160 PolarHBondContact O-N 2.9Å
157R95.3Very high93.6Very high146 Ų14658.3 Ų58.355%0.55127%0.274SS*.Hα-helixtrans-63-37.3174.8-71.7-162.7-175.7137.2-5.6111.3E153 G154 D155 R161E153-R157 WeakPolarHBondContact O-CD 3.48Å; E153-R157 VanDerWaalsContact O-CG 3.32Å; E153-R157 WeakPolarHBondContact O-CG 3.33Å; E153-R157 PolarHBondContact O-NE 2.98Å; E153-R157 PolarHBondContact O-NH1 3.22Å; G154-R157 PolarHBondContact O-N 2.93Å; D155-R157 VanDerWaalsContact C-N 3.33Å; D155-R157 PolarHBondContact O-N 2.9Å; R157-R161 WeakPolarHBondContact O-CB 2.96Å; R157-R161 PolarHBondContact O-N 2.9Å; R157-R161 VanDerWaalsContact O-N 3.1Å
158T95.3Very high93.5Very high60 Ų6059.7 Ų59.737%0.36828%0.28SS..Hα-helixtrans-67.9-51.3174.8-54.80000110.5G154 D155 W156 S160 R161 E162 L242G154-T158 PolarHBondContact O-N 3.43Å; G154-T158 PolarHBondContact O-OG1 3.18Å; D155-T158 WeakPolarHBondContact O-CB 3.19Å; D155-T158 PolarHBondContact O-N 3.43Å; D155-T158 VanDerWaalsContact O-N 3.11Å; W156-T158 VanDerWaalsContact C-N 3.25Å; W156-T158 PolarHBondContact O-N 2.89Å; T158-S160 VanDerWaalsContact C-N 3.29Å; T158-S160 PolarHBondContact O-N 2.99Å; T158-R161 WeakPolarHBondContact O-CB 3.42Å; T158-R161 PolarHBondContact O-N 3.35Å; T158-E162 HydrophobicContact CG2-CG 4.44Å; T158-E162 WeakPolarHBondContact O-CG 3.25Å; T158-E162 PolarHBondContact O-N 3.34Å; T158-L242 HydrophobicContact CG2-CD1 4.3Å
159I94.9Very high93.5Very high7 Ų760.3 Ų60.34%0.03628%0.283CS..Hα-helixtrans-53.7-47.2176.3-67.5162.3000111D155 W156 R161 E162 R163 L242 L243 I246D155-I159 WeakPolarHBondContact O-CG1 3.44Å; D155-I159 PolarHBondContact O-N 3.42Å; W156-I159 HydrophobicContact CE3-CB 4.31Å; W156-I159 HydrophobicContact CE3-CD1 4.24Å; W156-I159 HydrophobicContact CE3-CG2 4.14Å; W156-I159 HydrophobicContact CZ3-CG2 4.08Å; W156-I159 PolarHBondContact O-N 2.72Å; I159-R161 VanDerWaalsContact C-N 3.34Å; I159-R161 PolarHBondContact O-N 3.22Å; I159-E162 PolarHBondContact O-N 2.95Å; I159-R163 HydrophobicContact CG2-CG 4.32Å; I159-R163 WeakPolarHBondContact O-CB 3.45Å; I159-R163 WeakPolarHBondContact O-CG 3.49Å; I159-R163 PolarHBondContact O-N 3.43Å; I159-L242 HydrophobicContact CG1-CB 4.12Å; I159-L243 HydrophobicContact CG2-CD2 4Å; I159-I246 HydrophobicContact CD1-CD1 4.17Å; I159-I246 HydrophobicContact CD1-CG1 4.1Å
160S95.4Very high93.5Very high30 Ų3058.4 Ų58.421%0.2128%0.276CS..Hα-helixtrans-62.4-38.8179.4-176.30000112.5W156 T158 R164W156-S160 WeakPolarHBondContact O-CB 3.28Å; W156-S160 PolarHBondContact O-N 2.9Å; T158-S160 VanDerWaalsContact C-N 3.29Å; T158-S160 PolarHBondContact O-N 2.99Å; S160-R164 VanDerWaalsContact O-CG 3.28Å; S160-R164 WeakPolarHBondContact O-CG 3.16Å; S160-R164 PolarHBondContact O-N 3.35Å; S160-R164 VanDerWaalsContact O-N 3.12Å
161R95.9Very high93.4Very high167 Ų16753.7 Ų53.763%0.6325%0.251SS*.Hα-helixtrans-65.7-49.9175.9-175.6-172.4-58.5176.33.5111.6R157 T158 I159 R163 R164 L165R157-R161 WeakPolarHBondContact O-CB 2.96Å; R157-R161 PolarHBondContact O-N 2.9Å; R157-R161 VanDerWaalsContact O-N 3.1Å; T158-R161 WeakPolarHBondContact O-CB 3.42Å; T158-R161 PolarHBondContact O-N 3.35Å; I159-R161 VanDerWaalsContact C-N 3.34Å; I159-R161 PolarHBondContact O-N 3.22Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 2.86Å; R161-R164 PolarHBondContact O-N 3.47Å; R161-L165 PolarHBondContact O-N 3.44Å
162E95.1Very high93.2Very high36 Ų3654.7 Ų54.717%0.16826%0.257CS..Hα-helixtrans-65.4-37.1-178-60.9-46.4131.900111.6T158 I159 L165 L166 Q235 V238 L242T158-E162 HydrophobicContact CG2-CG 4.44Å; T158-E162 WeakPolarHBondContact O-CG 3.25Å; T158-E162 PolarHBondContact O-N 3.34Å; I159-E162 PolarHBondContact O-N 2.95Å; E162-L165 PolarHBondContact O-N 3.03Å; E162-L166 WeakPolarHBondContact O-CB 3.19Å; E162-L166 PolarHBondContact O-N 3.4Å; E162-Q235 PolarHBondContact O-NE2 2.94Å; E162-Q235 PolarHBondContact OE2-NE2 3.21Å; E162-V238 HydrophobicContact CG-CG1 4.32Å; E162-L242 HydrophobicContact CB-CD1 3.93Å; E162-L242 HydrophobicContact CG-CD1 3.5Å
163R93.8Very high93Very high43 Ų4353.5 Ų53.516%0.16225%0.25CS..Hα-helixtrans-61.5-43.4172.2-72.8173.372.8-169.77.3112.6M43 D47 I159 R161 L165 L166 E167 T239M43-R163 HydrophobicContact CE-CG 4.36Å; M43-R163 VanDerWaalsContact CE-NH2 3.32Å; M43-R163 HydrophobicContact SD-CG 3.89Å; M43-R163 PolarHBondContact SD-NE 3.49Å; D47-R163 IonicContact OD1-CZ 2.79Å; D47-R163 IonicContact OD1-NH1 2.69Å; D47-R163 PolarHBondContact OD1-NH1 3.15Å; D47-R163 IonicContact OD1-NH2 2.77Å; D47-R163 PolarHBondContact OD1-NH2 2.95Å; D47-R163 IonicContact OD2-CZ 2.72Å; D47-R163 IonicContact OD2-NH1 3.61Å; D47-R163 IonicContact OD2-NH2 2.74Å; D47-R163 PolarHBondContact OD2-NH2 2.96Å; I159-R163 HydrophobicContact CG2-CG 4.32Å; I159-R163 WeakPolarHBondContact O-CB 3.45Å; I159-R163 WeakPolarHBondContact O-CG 3.49Å; I159-R163 PolarHBondContact O-N 3.43Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 2.86Å; R163-L165 VanDerWaalsContact C-N 3.32Å; R163-L166 PolarHBondContact O-N 3.44Å; R163-E167 PolarHBondContact O-N 2.97Å; R163-T239 HydrophobicContact CG-CG2 3.79Å
164R93.6Very high92.9Very high175 Ų17550.2 Ų50.266%0.6624%0.235SC*.Hα-helixtrans-64.6-38.1175.3-73.9171.9-179.3-174.7-0.6111.6S160 R161 N168S160-R164 VanDerWaalsContact O-CG 3.28Å; S160-R164 WeakPolarHBondContact O-CG 3.16Å; S160-R164 PolarHBondContact O-N 3.35Å; S160-R164 VanDerWaalsContact O-N 3.12Å; R161-R164 PolarHBondContact O-N 3.47Å; R164-N168 VanDerWaalsContact O-CG 3.31Å; R164-N168 PolarHBondContact O-N 3.41Å; R164-N168 VanDerWaalsContact O-N 3.1Å; R164-N168 PolarHBondContact O-ND2 3.01Å
165L94.3Very high92.8Very high63 Ų6349.5 Ų49.533%0.3323%0.226SC..Hα-helixtrans-66.5-42.4176.2-178.156.9000111.3R161 E162 R163 E167 N168 L169 Q235R161-L165 PolarHBondContact O-N 3.44Å; E162-L165 PolarHBondContact O-N 3.03Å; R163-L165 VanDerWaalsContact C-N 3.32Å; L165-E167 PolarHBondContact O-N 3.33Å; L165-N168 WeakPolarHBondContact O-CB 3.49Å; L165-N168 PolarHBondContact O-N 3.5Å; L165-L169 HydrophobicContact CD1-CD1 4.35Å; L165-L169 HydrophobicContact CD1-CG 4.37Å; L165-L169 HydrophobicContact CG-CD1 4.2Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 2.94Å; L165-Q235 HydrophobicContact CD2-CG 4.42Å; L165-Q235 HydrophobicContact CG-CG 4.13Å
166L93Very high92.6Very high7 Ų746.5 Ų46.54%0.03721%0.211CC..Hα-helixtrans-59.5-45.6175.1-178.561.3000112F39 E162 R163 N168 L169 R170 F232 Q235 A236 T239F39-L166 HydrophobicContact CE1-CD2 3.82Å; F39-L166 HydrophobicContact CE2-CD2 4.38Å; F39-L166 HydrophobicContact CZ-CD2 3.41Å; F39-L166 VanDerWaalsContact CZ-CD2 3.41Å; E162-L166 WeakPolarHBondContact O-CB 3.19Å; E162-L166 PolarHBondContact O-N 3.4Å; R163-L166 PolarHBondContact O-N 3.44Å; L166-N168 VanDerWaalsContact C-N 3.32Å; L166-N168 PolarHBondContact O-N 3.26Å; L166-L169 PolarHBondContact O-N 3.15Å; L166-R170 PolarHBondContact O-N 3.45Å; L166-F232 HydrophobicContact CD1-CD2 3.78Å; L166-F232 HydrophobicContact CD1-CE2 3.51Å; L166-F232 HydrophobicContact CD1-CZ 4.23Å; L166-F232 HydrophobicContact CG-CE2 4.31Å; L166-Q235 HydrophobicContact CB-CG 4.04Å; L166-Q235 HydrophobicContact CD1-CB 4.23Å; L166-Q235 HydrophobicContact CD1-CG 4.17Å; L166-A236 HydrophobicContact CD1-CB 3.89Å; L166-T239 HydrophobicContact CD2-CG2 4.05Å
167E90.6Very high92.4Very high64 Ų6449.1 Ų49.130%0.29922%0.223SC..Hα-helixtrans-59.6-43.7176.1-174.768.1-167.600111.5R163 L165 L169 R170 L171R163-E167 PolarHBondContact O-N 2.97Å; L165-E167 PolarHBondContact O-N 3.33Å; E167-L169 PolarHBondContact O-N 3.07Å; E167-R170 WeakPolarHBondContact O-CB 3.29Å; E167-R170 PolarHBondContact O-N 3.17Å; E167-R170 IonicContact OE1-CZ 3.57Å; E167-R170 IonicContact OE1-NH1 2.83Å; E167-R170 PolarHBondContact OE1-NH1 2.79Å; E167-R170 IonicContact OE1-NH2 3.85Å; E167-R170 PolarHBondContact OE1-NH2 3Å; E167-R170 IonicContact OE2-CZ 3.43Å; E167-R170 IonicContact OE2-NH1 2.7Å; E167-R170 PolarHBondContact OE2-NH1 2.93Å; E167-L171 WeakPolarHBondContact O-CG 3.28Å; E167-L171 PolarHBondContact O-N 2.72Å; E167-L171 VanDerWaalsContact O-N 3.12Å
168N91.1Very high92.1Very high52 Ų5244.4 Ų44.428%0.27822%0.216SC..Hα-helixtrans-62.3-42.5176.7-76.2-41.7000112.4R164 L165 L166 R170 L171 D172R164-N168 VanDerWaalsContact O-CG 3.31Å; R164-N168 PolarHBondContact O-N 3.41Å; R164-N168 VanDerWaalsContact O-N 3.1Å; R164-N168 PolarHBondContact O-ND2 3.01Å; L165-N168 WeakPolarHBondContact O-CB 3.49Å; L165-N168 PolarHBondContact O-N 3.5Å; L166-N168 VanDerWaalsContact C-N 3.32Å; L166-N168 PolarHBondContact O-N 3.26Å; N168-R170 VanDerWaalsContact C-N 3.34Å; N168-L171 PolarHBondContact O-N 3.26Å; N168-D172 VanDerWaalsContact O-CG 3.29Å; N168-D172 PolarHBondContact O-N 2.92Å
169L92.4Very high91.8Very high18 Ų1845.1 Ų45.19%0.09421%0.212CC..Hα-helixtrans-70.7-30.9178-71.6171.8000112.2L165 L166 E167 D172 L173 E231 F232 Q235L165-L169 HydrophobicContact CD1-CD1 4.35Å; L165-L169 HydrophobicContact CD1-CG 4.37Å; L165-L169 HydrophobicContact CG-CD1 4.2Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 2.94Å; L166-L169 PolarHBondContact O-N 3.15Å; E167-L169 PolarHBondContact O-N 3.07Å; L169-D172 PolarHBondContact O-N 2.86Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 PolarHBondContact O-N 2.96Å; L169-E231 HydrophobicContact CD1-CG 3.87Å; L169-E231 HydrophobicContact CD2-CB 4.44Å; L169-E231 HydrophobicContact CD2-CG 3.71Å; L169-E231 HydrophobicContact CG-CG 4.46Å; L169-F232 HydrophobicContact CB-CD2 4.32Å; L169-Q235 HydrophobicContact CD1-CB 3.46Å; L169-Q235 VanDerWaalsContact CD1-CB 3.46Å; L169-Q235 HydrophobicContact CD1-CG 3.73Å
170R92.6Very high91.6Very high3 Ų345.4 Ų45.41%0.01121%0.214CC..Hα-helixtrans-59.6-49.4170.3-165.5-159.168.4-125.4-5.3110.5E25 R32 T33 L166 E167 N168 D172 L173 D174 F232E25-R170 IonicContact OE1-NE 2.64Å; E25-R170 IonicContact OE1-NH2 2.65Å; E25-R170 PolarHBondContact OE1-NH2 2.82Å; E25-R170 IonicContact OE2-CZ 3.91Å; E25-R170 IonicContact OE2-NE 3.48Å; E25-R170 IonicContact OE2-NH2 3.47Å; E25-R170 PolarHBondContact OE2-NH2 3Å; R32-R170 VanDerWaalsContact NH1-CZ 3.33Å; R32-R170 VanDerWaalsContact NH1-NH1 3.17Å; R32-R170 VanDerWaalsContact NH1-NH2 3.17Å; T33-R170 HydrophobicContact CG2-CG 4.43Å; T33-R170 WeakPolarHBondContact O-CD 3.36Å; L166-R170 PolarHBondContact O-N 3.45Å; E167-R170 WeakPolarHBondContact O-CB 3.29Å; E167-R170 PolarHBondContact O-N 3.17Å; E167-R170 IonicContact OE1-CZ 3.57Å; E167-R170 IonicContact OE1-NH1 2.83Å; E167-R170 PolarHBondContact OE1-NH1 2.79Å; E167-R170 IonicContact OE1-NH2 3.85Å; E167-R170 PolarHBondContact OE1-NH2 3Å; E167-R170 IonicContact OE2-CZ 3.43Å; E167-R170 IonicContact OE2-NH1 2.7Å; E167-R170 PolarHBondContact OE2-NH1 2.93Å; N168-R170 VanDerWaalsContact C-N 3.34Å; R170-D172 VanDerWaalsContact C-N 3.3Å; R170-D172 PolarHBondContact O-N 3.11Å; R170-L173 WeakPolarHBondContact O-CB 3.24Å; R170-L173 PolarHBondContact O-N 3.01Å; R170-D174 IonicContact NE-OD2 2.67Å; R170-D174 PolarHBondContact O-N 3.08Å; R170-F232 HydrophobicContact CB-CD2 4.25Å; R170-F232 HydrophobicContact CB-CE2 3.81Å; R170-F232 HydrophobicContact CG-CE2 4.08Å
171L88.9Confident91.4Very high9 Ų951.2 Ų51.25%0.04724%0.235CC..Hα-helixtrans-61.1-40.1178.6-65.8171.8000111.7R18 Q21 Y22 E25 E167 N168 D174 A175R18-L171 HydrophobicContact CB-CB 4.32Å; R18-L171 HydrophobicContact CB-CD1 4.13Å; R18-L171 HydrophobicContact CG-CB 4.06Å; Q21-L171 HydrophobicContact CB-CD2 4.32Å; Q21-L171 HydrophobicContact CG-CB 4.49Å; Q21-L171 HydrophobicContact CG-CD2 3.96Å; Y22-L171 HydrophobicContact CD2-CD2 4.47Å; E25-L171 WeakPolarHBondContact OE1-CD2 3.47Å; E167-L171 WeakPolarHBondContact O-CG 3.28Å; E167-L171 PolarHBondContact O-N 2.72Å; E167-L171 VanDerWaalsContact O-N 3.12Å; N168-L171 PolarHBondContact O-N 3.26Å; L171-D174 PolarHBondContact O-N 2.87Å; L171-A175 WeakPolarHBondContact O-CB 3.41Å; L171-A175 PolarHBondContact O-N 3.02Å
172D89.6Confident91Very high25 Ų2551.2 Ų51.213%0.13424%0.24CC..Hα-helixtrans-64.9-40.8176.1-67.5-20.4000111.9R18 N168 L169 R170 A175 C176R18-D172 WeakPolarHBondContact CG-OD1 3.11Å; R18-D172 IonicContact CZ-OD1 3.67Å; R18-D172 IonicContact CZ-OD2 3.38Å; R18-D172 IonicContact NE-OD1 2.79Å; R18-D172 PolarHBondContact NE-OD1 3.27Å; R18-D172 IonicContact NE-OD2 3.25Å; R18-D172 PolarHBondContact NE-OD2 2.98Å; R18-D172 IonicContact NH2-OD1 3.68Å; R18-D172 IonicContact NH2-OD2 2.69Å; R18-D172 PolarHBondContact NH2-OD2 3.29Å; N168-D172 VanDerWaalsContact O-CG 3.29Å; N168-D172 PolarHBondContact O-N 2.92Å; L169-D172 PolarHBondContact O-N 2.86Å; R170-D172 VanDerWaalsContact C-N 3.3Å; R170-D172 PolarHBondContact O-N 3.11Å; D172-A175 PolarHBondContact O-N 3.31Å; D172-C176 WeakPolarHBondContact O-CB 3.46Å; D172-C176 PolarHBondContact O-N 3.25Å; D172-C176 PolarHBondContact O-SG 2.8Å
173L89.8Confident90.7Very high0 Ų049.9 Ų49.90%024%0.235CC..Hα-helixtrans-62.7-47.1176176.260.8000111.2T33 L169 R170 A175 C176 K177 L225 A228 Q229 F232T33-L173 HydrophobicContact CG2-CD2 4.49Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 PolarHBondContact O-N 2.96Å; R170-L173 WeakPolarHBondContact O-CB 3.24Å; R170-L173 PolarHBondContact O-N 3.01Å; L173-A175 PolarHBondContact O-N 3.29Å; L173-C176 PolarHBondContact O-N 3.39Å; L173-K177 HydrophobicContact CG-CD 4.46Å; L173-K177 WeakPolarHBondContact O-CG 3.29Å; L173-K177 PolarHBondContact O-N 2.86Å; L173-L225 HydrophobicContact CD1-CD1 3.66Å; L173-A228 HydrophobicContact CD1-CB 4.22Å; L173-Q229 HydrophobicContact CD1-CB 4Å; L173-F232 HydrophobicContact CD2-CB 4.12Å; L173-F232 HydrophobicContact CD2-CD1 3.86Å; L173-F232 HydrophobicContact CD2-CE1 4.43Å; L173-F232 HydrophobicContact CD2-CG 3.91Å
174D90.1Very high90.5Very high6 Ų652.3 Ų52.33%0.03225%0.246CC..Hα-helixtrans-64.8-40.2179.8-68.9-22.5000111.1Q21 T33 R170 L171 C176 K177 A178Q21-D174 HydrophobicContact CG-CB 4.05Å; T33-D174 PolarHBondContact N-OD2 2.7Å; T33-D174 PolarHBondContact OG1-OD1 3.08Å; R170-D174 IonicContact NE-OD2 2.67Å; R170-D174 PolarHBondContact O-N 3.08Å; L171-D174 PolarHBondContact O-N 2.87Å; D174-C176 PolarHBondContact O-N 3.37Å; D174-K177 WeakPolarHBondContact O-CB 3.39Å; D174-K177 PolarHBondContact O-N 3.25Å; D174-K177 IonicContact OD1-NZ 2.74Å; D174-A178 WeakPolarHBondContact O-CB 3.4Å; D174-A178 PolarHBondContact O-N 3.02Å
175A88.8Confident90.3Very high17 Ų1746.3 Ų46.314%0.1423%0.234CC..Hα-helixtrans-62.8-39.3172.200000112.6T17 L171 D172 L173 A178 R179T17-A175 HydrophobicContact CG2-CB 3.59Å; L171-A175 WeakPolarHBondContact O-CB 3.41Å; L171-A175 PolarHBondContact O-N 3.02Å; D172-A175 PolarHBondContact O-N 3.31Å; L173-A175 PolarHBondContact O-N 3.29Å; A175-A178 PolarHBondContact O-N 2.82Å; A175-R179 WeakPolarHBondContact O-CB 3.06Å; A175-R179 PolarHBondContact O-N 2.78Å
176C89.8Confident89.8Confident22 Ų2244.6 Ų44.615%0.14923%0.229CC..Hα-helixtrans-66.5-41.2175.3-70.80000111.9D172 L173 D174 A178 R179 V180 L225 A228D172-C176 WeakPolarHBondContact O-CB 3.46Å; D172-C176 PolarHBondContact O-N 3.25Å; D172-C176 PolarHBondContact O-SG 2.8Å; L173-C176 PolarHBondContact O-N 3.39Å; D174-C176 PolarHBondContact O-N 3.37Å; C176-A178 VanDerWaalsContact C-N 3.35Å; C176-A178 PolarHBondContact O-N 2.87Å; C176-R179 PolarHBondContact O-N 3.4Å; C176-V180 WeakPolarHBondContact O-CG2 3.26Å; C176-V180 PolarHBondContact O-N 3.25Å; C176-L225 HydrophobicContact CB-CB 4.26Å; C176-L225 HydrophobicContact CB-CD1 3.96Å; C176-A228 HydrophobicContact CB-CB 4.31Å
177K89.6Confident89.5Confident81 Ų8146.7 Ų46.735%0.35224%0.239SC..Hα-helixtrans-59.1-46.5173.9-71.6172.6-179171.50110.9T33 L173 D174 R179 V180 K181 L225T33-K177 PolarHBondContact OG1-NZ 3.14Å; L173-K177 HydrophobicContact CG-CD 4.46Å; L173-K177 WeakPolarHBondContact O-CG 3.29Å; L173-K177 PolarHBondContact O-N 2.86Å; D174-K177 WeakPolarHBondContact O-CB 3.39Å; D174-K177 PolarHBondContact O-N 3.25Å; D174-K177 IonicContact OD1-NZ 2.74Å; K177-R179 VanDerWaalsContact C-N 3.34Å; K177-R179 PolarHBondContact O-N 3.39Å; K177-V180 PolarHBondContact O-N 3.12Å; K177-K181 PolarHBondContact O-N 2.83Å; K177-L225 HydrophobicContact CB-CD1 4.44Å; K177-L225 HydrophobicContact CG-CD1 3.56Å
178A89.1Confident89.2Confident47 Ų4746.3 Ų46.339%0.38825%0.247SC..Hα-helixtrans-61.4-41.9176.800000111.9D174 A175 C176 K181 K182D174-A178 WeakPolarHBondContact O-CB 3.4Å; D174-A178 PolarHBondContact O-N 3.02Å; A175-A178 PolarHBondContact O-N 2.82Å; C176-A178 VanDerWaalsContact C-N 3.35Å; C176-A178 PolarHBondContact O-N 2.87Å; A178-K181 PolarHBondContact O-N 2.83Å; A178-K182 WeakPolarHBondContact O-CB 3.4Å; A178-K182 PolarHBondContact O-N 2.74Å
179R88.9Confident88.7Confident75 Ų7551.8 Ų51.828%0.28327%0.268SS..Hα-helixtrans-64.6-43177.1-172171.660106.7-2.3112.5A175 C176 K177 K182 A183 E217 A221 D224A175-R179 WeakPolarHBondContact O-CB 3.06Å; A175-R179 PolarHBondContact O-N 2.78Å; C176-R179 PolarHBondContact O-N 3.4Å; K177-R179 VanDerWaalsContact C-N 3.34Å; K177-R179 PolarHBondContact O-N 3.39Å; R179-K182 PolarHBondContact O-N 3.48Å; R179-A183 WeakPolarHBondContact O-CB 3.32Å; R179-A183 PolarHBondContact O-N 2.65Å; R179-E217 IonicContact NH1-OE1 3.64Å; R179-A221 HydrophobicContact CG-CB 4.48Å; R179-D224 IonicContact CZ-OD2 3.47Å; R179-D224 IonicContact NH1-OD2 3.45Å; R179-D224 PolarHBondContact NH1-OD2 3.38Å; R179-D224 VanDerWaalsContact NH2-CG 3.29Å; R179-D224 IonicContact NH2-OD2 2.66Å; R179-D224 PolarHBondContact NH2-OD2 3.29Å
180V91.2Very high88Confident13 Ų1352.7 Ų52.78%0.07928%0.278CS..Hα-helixtrans-60.7-45.7174.7170.70000110.9C176 K177 K182 A183 K184 A221 E222 L225C176-V180 WeakPolarHBondContact O-CG2 3.26Å; C176-V180 PolarHBondContact O-N 3.25Å; K177-V180 PolarHBondContact O-N 3.12Å; V180-K182 VanDerWaalsContact C-N 3.3Å; V180-K182 PolarHBondContact O-N 2.67Å; V180-A183 PolarHBondContact O-N 2.81Å; V180-K184 HydrophobicContact CG1-CD 4.12Å; V180-K184 HydrophobicContact CG1-CG 4.45Å; V180-K184 WeakPolarHBondContact O-CB 3.42Å; V180-K184 WeakPolarHBondContact O-CG 3.42Å; V180-K184 PolarHBondContact O-N 3.13Å; V180-A221 HydrophobicContact CG2-CB 3.77Å; V180-A221 WeakPolarHBondContact CG2-O 3.44Å; V180-E222 HydrophobicContact CG1-CG 4.17Å; V180-E222 HydrophobicContact CG2-CG 4.43Å; V180-L225 HydrophobicContact CB-CD2 4.39Å; V180-L225 HydrophobicContact CG2-CB 3.95Å; V180-L225 HydrophobicContact CG2-CD2 3.93Å
181K90.7Very high86.9Confident152 Ų15256.2 Ų56.266%0.66131%0.308SS*.Hα-helixtrans-58.4-42.6176.8-171.4176.5-177.7175.80111.5K177 A178 A185K177-K181 PolarHBondContact O-N 2.83Å; A178-K181 PolarHBondContact O-N 2.83Å; K181-A185 WeakPolarHBondContact O-CB 3.36Å; K181-A185 PolarHBondContact O-N 3.28Å; K181-A185 VanDerWaalsContact O-N 3.07Å
182K89.1Confident86Confident167 Ų16761.5 Ų61.573%0.72634%0.34SS*.Hα-helixtrans-68.2-43.4177.4-172.4177.7-179.6178.10112.6A178 R179 V180 A185 A186A178-K182 WeakPolarHBondContact O-CB 3.4Å; A178-K182 PolarHBondContact O-N 2.74Å; R179-K182 PolarHBondContact O-N 3.48Å; V180-K182 VanDerWaalsContact C-N 3.3Å; V180-K182 PolarHBondContact O-N 2.67Å; K182-A185 PolarHBondContact O-N 3.16Å; K182-A186 WeakPolarHBondContact O-CB 3.39Å; K182-A186 PolarHBondContact O-N 2.64Å
183A88.5Confident84.6Confident8 Ų863.3 Ų63.37%0.06636%0.358CS..Hα-helixtrans-62.8-46.9178.600000111R179 V180 A185 A186 E187 V218 A221R179-A183 WeakPolarHBondContact O-CB 3.32Å; R179-A183 PolarHBondContact O-N 2.65Å; V180-A183 PolarHBondContact O-N 2.81Å; A183-A185 VanDerWaalsContact C-N 3.34Å; A183-A185 PolarHBondContact O-N 2.8Å; A183-A186 WeakPolarHBondContact O-CB 3.02Å; A183-A186 PolarHBondContact O-N 2.62Å; A183-A186 VanDerWaalsContact O-N 3.14Å; A183-E187 PolarHBondContact O-N 2.87Å; A183-V218 HydrophobicContact CB-CG2 3.76Å; A183-A221 HydrophobicContact CB-CB 4.32Å
184K89.1Confident82.7Confident94 Ų9468.6 Ų68.641%0.40939%0.393SS..Hα-helixtrans-61.4-40.1175-72.4-174.8176.2-176.10112.8V180 A186 E187 A188 V218 E222V180-K184 HydrophobicContact CG1-CD 4.12Å; V180-K184 HydrophobicContact CG1-CG 4.45Å; V180-K184 WeakPolarHBondContact O-CB 3.42Å; V180-K184 WeakPolarHBondContact O-CG 3.42Å; V180-K184 PolarHBondContact O-N 3.13Å; K184-A186 VanDerWaalsContact C-N 3.33Å; K184-E187 PolarHBondContact O-N 3.28Å; K184-A188 WeakPolarHBondContact O-CB 3.31Å; K184-A188 PolarHBondContact O-N 2.9Å; K184-V218 HydrophobicContact CG-CG1 3.99Å; K184-V218 HydrophobicContact CG-CG2 4.4Å; K184-E222 WeakPolarHBondContact CE-OE1 3.19Å; K184-E222 IonicContact NZ-OE1 3.79Å; K184-E222 PolarHBondContact NZ-OE1 2.65Å
185A88.3Confident80.8Confident49 Ų4975.6 Ų75.641%0.40543%0.43SS..Hα-helixtrans-66.3-35.1175.600000112.5K181 K182 A183 K189K181-A185 WeakPolarHBondContact O-CB 3.36Å; K181-A185 PolarHBondContact O-N 3.28Å; K181-A185 VanDerWaalsContact O-N 3.07Å; K182-A185 PolarHBondContact O-N 3.16Å; A183-A185 VanDerWaalsContact C-N 3.34Å; A183-A185 PolarHBondContact O-N 2.8Å; A185-K189 WeakPolarHBondContact O-CB 3.26Å; A185-K189 VanDerWaalsContact O-CG 3.28Å; A185-K189 WeakPolarHBondContact O-CG 3.02Å; A185-K189 PolarHBondContact O-N 3.22Å; A185-K189 VanDerWaalsContact O-N 3.12Å
186A85.2Confident79Confident27 Ų2780.9 Ų80.922%0.22345%0.451CS..Hα-helixtrans-70.7-43.1175.500000111.8K182 A183 K184 K189 A190 W214K182-A186 WeakPolarHBondContact O-CB 3.39Å; K182-A186 PolarHBondContact O-N 2.64Å; A183-A186 WeakPolarHBondContact O-CB 3.02Å; A183-A186 PolarHBondContact O-N 2.62Å; A183-A186 VanDerWaalsContact O-N 3.14Å; K184-A186 VanDerWaalsContact C-N 3.33Å; A186-K189 PolarHBondContact O-N 3.4Å; A186-A190 WeakPolarHBondContact O-CB 2.91Å; A186-A190 PolarHBondContact O-N 2.8Å; A186-W214 HydrophobicContact CB-CE3 4.02Å; A186-W214 HydrophobicContact CB-CH2 4.18Å; A186-W214 HydrophobicContact CB-CZ3 3.82Å
187E85.9Confident77.2Confident52 Ų5288.4 Ų88.424%0.24348%0.483CS..Hα-helixtrans-60.1-47.6174-175-177.9-142.200111.2A183 K184 K189 A190 A191 W214 T215 V218A183-E187 PolarHBondContact O-N 2.87Å; K184-E187 PolarHBondContact O-N 3.28Å; E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 PolarHBondContact O-N 2.83Å; E187-A190 PolarHBondContact O-N 3.25Å; E187-A190 VanDerWaalsContact O-N 3.14Å; E187-A191 WeakPolarHBondContact O-CB 3.32Å; E187-A191 PolarHBondContact O-N 3.32Å; E187-W214 HydrophobicContact CB-CB 4.18Å; E187-W214 HydrophobicContact CG-CB 4.23Å; E187-T215 WeakPolarHBondContact OE1-CA 3.42Å; E187-T215 WeakPolarHBondContact OE1-CB 3.39Å; E187-T215 PolarHBondContact OE1-OG1 3.07Å; E187-V218 HydrophobicContact CB-CG2 4.04Å
188A84.1Confident75.3Confident56 Ų5690.2 Ų90.246%0.46349%0.493SS..Hα-helixtrans-60.7-39.1176.900000112.6K184 A191 V192K184-A188 WeakPolarHBondContact O-CB 3.31Å; K184-A188 PolarHBondContact O-N 2.9Å; A188-A191 PolarHBondContact O-N 2.92Å; A188-V192 VanDerWaalsContact O-CG2 3.28Å; A188-V192 WeakPolarHBondContact O-CG2 3.34Å; A188-V192 PolarHBondContact O-N 3.23Å
189K81.3Confident73.5Confident167 Ų16794.9 Ų94.973%0.72652%0.517SS*.Hα-helixtrans-68.4-37.7174.5-76.1175.9-178-1780112.4A185 A186 E187 A191 V192A185-K189 WeakPolarHBondContact O-CB 3.26Å; A185-K189 VanDerWaalsContact O-CG 3.28Å; A185-K189 WeakPolarHBondContact O-CG 3.02Å; A185-K189 PolarHBondContact O-N 3.22Å; A185-K189 VanDerWaalsContact O-N 3.12Å; A186-K189 PolarHBondContact O-N 3.4Å; E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 PolarHBondContact O-N 2.83Å; K189-A191 VanDerWaalsContact C-N 3.34Å; K189-V192 PolarHBondContact O-N 3.2Å
190A76.6Confident71.8Confident37 Ų3799.8 Ų99.831%0.30654%0.535SS..Hα-helixtrans-69-32.9177.200000112.2A186 E187 V192 A193 W214A186-A190 WeakPolarHBondContact O-CB 2.91Å; A186-A190 PolarHBondContact O-N 2.8Å; E187-A190 PolarHBondContact O-N 3.25Å; E187-A190 VanDerWaalsContact O-N 3.14Å; A190-V192 VanDerWaalsContact C-N 3.3Å; A190-V192 PolarHBondContact O-N 2.91Å; A190-A193 WeakPolarHBondContact O-CB 3.27Å; A190-A193 PolarHBondContact O-N 3.14Å; A190-W214 HydrophobicContact CB-CG 4.41Å
191A70.6Confident70.2Confident76 Ų76104.4 Ų104.463%0.62857%0.566SS**Hα-helixtrans-70.5-22175.500000113.8E187 A188 K189 A193E187-A191 WeakPolarHBondContact O-CB 3.32Å; E187-A191 PolarHBondContact O-N 3.32Å; A188-A191 PolarHBondContact O-N 2.92Å; K189-A191 VanDerWaalsContact C-N 3.34Å; A191-A193 VanDerWaalsContact C-N 3.31Å
192V69.6Low68.3Low120 Ų120107.1 Ų107.173%0.72757%0.572SS**THydrogen-bonded Turntrans-91.412.4179.1179.10000112.1A188 K189 A190A188-V192 VanDerWaalsContact O-CG2 3.28Å; A188-V192 WeakPolarHBondContact O-CG2 3.34Å; A188-V192 PolarHBondContact O-N 3.23Å; K189-V192 PolarHBondContact O-N 3.2Å; A190-V192 VanDerWaalsContact C-N 3.3Å; A190-V192 PolarHBondContact O-N 2.91Å
193A59.5Low66.7Low63 Ų63103.1 Ų103.152%0.52156%0.558SS.*  trans-52.6141176.500000112A190 A191A190-A193 WeakPolarHBondContact O-CB 3.27Å; A190-A193 PolarHBondContact O-N 3.14Å; A191-A193 VanDerWaalsContact C-N 3.31Å
194P51.6Low65.3Low112 Ų112111.5 Ų111.573%0.72759%0.59SS**  trans-69151.3-157.927.1-34.6000113.4F196P194-F196 VanDerWaalsContact C-N 3.31Å; P194-F196 PolarHBondContact O-N 3.09Å
195D50.1Low64Low152 Ų152111.4 Ų111.481%0.81360%0.597SS**  trans-52.289.9166.6-170.319.2000110.1Q197D195-Q197 PolarHBondContact O-N 3.23Å
196F50.5Low62.8Low129 Ų129114.5 Ų114.557%0.56661%0.606SS**  trans-94.295.2176.8-156.8-99.2000108P194 E198P194-F196 VanDerWaalsContact C-N 3.31Å; P194-F196 PolarHBondContact O-N 3.09Å; F196-E198 HydrophobicContact CD1-CB 3.63Å; F196-E198 WeakPolarHBondContact CD1-O 3.34Å; F196-E198 HydrophobicContact CE1-CB 3.31Å; F196-E198 HydrophobicContact CE1-CG 4.45Å; F196-E198 HydrophobicContact CZ-CB 4.22Å; F196-E198 PolarHBondContact O-N 3.37Å
197Q51.6Low61.9Low179 Ų179116.5 Ų116.584%0.83662%0.618SS**  trans-68.832.1177.2-145.5164.17.300113.6D195D195-Q197 PolarHBondContact O-N 3.23Å
198E49.4Very low61Low120 Ų120116.4 Ų116.456%0.56163%0.626SS**  trans-13489.3174-103.5-173.3173.400110F196 R200F196-E198 HydrophobicContact CD1-CB 3.63Å; F196-E198 WeakPolarHBondContact CD1-O 3.34Å; F196-E198 HydrophobicContact CE1-CB 3.31Å; F196-E198 HydrophobicContact CE1-CG 4.45Å; F196-E198 HydrophobicContact CZ-CB 4.22Å; F196-E198 PolarHBondContact O-N 3.37Å; E198-R200 PolarHBondContact O-N 2.81Å
199T51.1Low60.4Low145 Ų145116.6 Ų116.689%0.8963%0.625SS**  trans-65.789.8175.749.70000111.1
200R54.2Low60Low177 Ų177110.6 Ų110.667%0.66861%0.606SS**  trans-102.6123.8156-70.3-172.8-177.6-172.52.3108.6E198 R202 N203E198-R200 PolarHBondContact O-N 2.81Å; R200-R202 PolarHBondContact O-N 3.4Å; R200-N203 PolarHBondContact O-N 3.35Å
201P56.3Low59.9Low111 Ų111111.5 Ų111.572%0.72161%0.61SS**Hα-helixtrans-51.5-29.4-178.4-2732.1000114.2N203 Y204 V205P201-N203 PolarHBondContact O-N 3.15Å; P201-Y204 PolarHBondContact O-N 3.05Å; P201-V205 PolarHBondContact O-N 3.25Å
202R52.4Low60.4Low208 Ų208110.7 Ų110.779%0.78560%0.603SS**Hα-helixtrans-67.8-30-179.1-142.6172.9179155.9-1.3113.8R200 L206R200-R202 PolarHBondContact O-N 3.4Å; R202-L206 WeakPolarHBondContact O-CD1 3.44Å; R202-L206 WeakPolarHBondContact O-CG 3.48Å; R202-L206 PolarHBondContact O-N 3.25Å
203N55.6Low61.1Low83 Ų83110.3 Ų110.344%0.44460%0.596SS.*Hα-helixtrans-79.1-33.1178.3-76.4-13.5000112.2R200 P201 L206 S207R200-N203 PolarHBondContact O-N 3.35Å; P201-N203 PolarHBondContact O-N 3.15Å; N203-L206 PolarHBondContact O-N 2.94Å; N203-S207 WeakPolarHBondContact O-CB 3.36Å; N203-S207 PolarHBondContact O-N 3.23Å
204Y59.5Low62.2Low184 Ų184112.3 Ų112.372%0.72259%0.591SS**Hα-helixtrans-66.4-42.1176.7-169.6-96.8000111.9P201 L206 S207 A208P201-Y204 PolarHBondContact O-N 3.05Å; Y204-L206 PolarHBondContact O-N 3.11Å; Y204-S207 PolarHBondContact O-N 3.38Å; Y204-A208 WeakPolarHBondContact O-CB 3.49Å; Y204-A208 PolarHBondContact O-N 2.9Å
205V61.2Low63.9Low92 Ų92109.5 Ų109.556%0.55857%0.571SS**Hα-helixtrans-63.3-42.1176.3177.90000111.2P201 A208 S209P201-V205 PolarHBondContact O-N 3.25Å; V205-A208 PolarHBondContact O-N 2.77Å; V205-S209 WeakPolarHBondContact O-CB 3.37Å; V205-S209 PolarHBondContact O-N 3.28Å; V205-S209 PolarHBondContact O-OG 3.34Å
206L63.1Low65.6Low115 Ų115108.3 Ų108.360%0.60256%0.561SS**Hα-helixtrans-65.9-39176.9-73.6166.5000112.8R202 N203 Y204 A210R202-L206 WeakPolarHBondContact O-CD1 3.44Å; R202-L206 WeakPolarHBondContact O-CG 3.48Å; R202-L206 PolarHBondContact O-N 3.25Å; N203-L206 PolarHBondContact O-N 2.94Å; Y204-L206 PolarHBondContact O-N 3.11Å; L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 3.45Å
207S66.3Low67.5Low68 Ų68105.4 Ų105.448%0.47655%0.549SS..Hα-helixtrans-68.1-44.1175.8173.20000112.1N203 Y204 A210 S211N203-S207 WeakPolarHBondContact O-CB 3.36Å; N203-S207 PolarHBondContact O-N 3.23Å; Y204-S207 PolarHBondContact O-N 3.38Å; S207-A210 PolarHBondContact O-N 3.42Å; S207-S211 PolarHBondContact O-N 3.28Å
208A66.6Low69.3Low50 Ų5097.4 Ų97.441%0.41351%0.512SS..Hα-helixtrans-63.8-41.3175.300000112.1Y204 V205 S211 A212Y204-A208 WeakPolarHBondContact O-CB 3.49Å; Y204-A208 PolarHBondContact O-N 2.9Å; V205-A208 PolarHBondContact O-N 2.77Å; A208-S211 PolarHBondContact O-N 2.81Å; A208-A212 WeakPolarHBondContact O-CB 3.24Å; A208-A212 PolarHBondContact O-N 3.42Å
209S71.3Confident71.4Confident61 Ų6197.7 Ų97.743%0.42751%0.514SS..Hα-helixtrans-65.8-37.6174.4-63.60000112.6V205 L213V205-S209 WeakPolarHBondContact O-CB 3.37Å; V205-S209 PolarHBondContact O-N 3.28Å; V205-S209 PolarHBondContact O-OG 3.34Å; S209-L213 WeakPolarHBondContact O-CG 3.34Å; S209-L213 PolarHBondContact O-N 3.07Å; S209-L213 VanDerWaalsContact O-N 3.16Å
210A72.8Confident73.3Confident41 Ų4196 Ų9634%0.33949%0.494SS..Hα-helixtrans-67.2-41.2174.700000112L206 S207 L213 W214L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 3.45Å; S207-A210 PolarHBondContact O-N 3.42Å; A210-L213 PolarHBondContact O-N 2.95Å; A210-W214 PolarHBondContact O-N 3.41Å
211S74.5Confident75Confident55 Ų5587.6 Ų87.639%0.38546%0.462SS..Hα-helixtrans-61.8-45.2175.3-166.30000111.6S207 A208 L213 W214 T215S207-S211 PolarHBondContact O-N 3.28Å; A208-S211 PolarHBondContact O-N 2.81Å; S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 3.38Å; S211-W214 PolarHBondContact O-N 3.03Å; S211-T215 PolarHBondContact O-N 2.91Å; S211-T215 PolarHBondContact O-OG1 3.33Å; S211-T215 VanDerWaalsContact O-OG1 3.11Å
212A81.1Confident76.7Confident59 Ų5984.8 Ų84.849%0.48844%0.44SS..Hα-helixtrans-61.1-38.6178.100000112.8A208 T215 E216A208-A212 WeakPolarHBondContact O-CB 3.24Å; A208-A212 PolarHBondContact O-N 3.42Å; A212-T215 PolarHBondContact O-N 3.38Å; A212-E216 WeakPolarHBondContact O-CB 3.42Å; A212-E216 PolarHBondContact O-N 2.97Å
213L83.9Confident78.7Confident112 Ų11280.6 Ų80.659%0.58643%0.429SS*.Hα-helixtrans-64.6-39.6176.2-75.3166.7000112.8S209 A210 S211 E217S209-L213 WeakPolarHBondContact O-CG 3.34Å; S209-L213 PolarHBondContact O-N 3.07Å; S209-L213 VanDerWaalsContact O-N 3.16Å; A210-L213 PolarHBondContact O-N 2.95Å; S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 3.38Å; L213-E217 PolarHBondContact O-N 3.44Å
214W83.8Confident80.4Confident106 Ų10679.2 Ų79.240%0.40242%0.421SS..Hα-helixtrans-71.1-38.1177.4-72.6115.8000112.2A186 E187 A190 A210 S211 E217 V218A186-W214 HydrophobicContact CB-CE3 4.02Å; A186-W214 HydrophobicContact CB-CH2 4.18Å; A186-W214 HydrophobicContact CB-CZ3 3.82Å; E187-W214 HydrophobicContact CB-CB 4.18Å; E187-W214 HydrophobicContact CG-CB 4.23Å; A190-W214 HydrophobicContact CB-CG 4.41Å; A210-W214 PolarHBondContact O-N 3.41Å; S211-W214 PolarHBondContact O-N 3.03Å; W214-E217 PolarHBondContact O-N 3.45Å; W214-V218 WeakPolarHBondContact O-CG2 3.12Å; W214-V218 PolarHBondContact O-N 2.73Å
215T85.9Confident82Confident52 Ų5272.3 Ų72.332%0.31940%0.397SS..Hα-helixtrans-62.6-43.3173.7-56.40000111.2E187 S211 A212 E217 V218 E219E187-T215 WeakPolarHBondContact OE1-CA 3.42Å; E187-T215 WeakPolarHBondContact OE1-CB 3.39Å; E187-T215 PolarHBondContact OE1-OG1 3.07Å; S211-T215 PolarHBondContact O-N 2.91Å; S211-T215 PolarHBondContact O-OG1 3.33Å; S211-T215 VanDerWaalsContact O-OG1 3.11Å; A212-T215 PolarHBondContact O-N 3.38Å; T215-E217 PolarHBondContact O-N 3.26Å; T215-V218 PolarHBondContact O-N 2.83Å; T215-E219 WeakPolarHBondContact O-CG 3.44Å; T215-E219 PolarHBondContact O-N 3.07Å
216E87.7Confident83.6Confident127 Ų12776 Ų7659%0.59340%0.401SS*.Hα-helixtrans-61.8-41.8174.7-172.5179.6-177.700112.2A212 E219 K220A212-E216 WeakPolarHBondContact O-CB 3.42Å; A212-E216 PolarHBondContact O-N 2.97Å; E216-E219 PolarHBondContact O-N 3.18Å; E216-K220 WeakPolarHBondContact O-CB 3.21Å; E216-K220 PolarHBondContact O-N 2.72Å
217E88.8Confident85.1Confident69 Ų6975.6 Ų75.632%0.32240%0.399SS..Hα-helixtrans-68.2-34.7177-175.760.4-15200112.5R179 L213 W214 T215 A221R179-E217 IonicContact NH1-OE1 3.64Å; L213-E217 PolarHBondContact O-N 3.44Å; W214-E217 PolarHBondContact O-N 3.45Å; T215-E217 PolarHBondContact O-N 3.26Å; E217-A221 WeakPolarHBondContact O-CB 3.4Å; E217-A221 PolarHBondContact O-N 3.38Å
218V90.9Very high86.3Confident10 Ų1073.1 Ų73.16%0.06138%0.383CS..Hα-helixtrans-66.5-48173.2169.70000110.7A183 K184 E187 W214 T215 K220 A221 E222A183-V218 HydrophobicContact CB-CG2 3.76Å; K184-V218 HydrophobicContact CG-CG1 3.99Å; K184-V218 HydrophobicContact CG-CG2 4.4Å; E187-V218 HydrophobicContact CB-CG2 4.04Å; W214-V218 WeakPolarHBondContact O-CG2 3.12Å; W214-V218 PolarHBondContact O-N 2.73Å; T215-V218 PolarHBondContact O-N 2.83Å; V218-K220 VanDerWaalsContact C-N 3.29Å; V218-K220 PolarHBondContact O-N 2.84Å; V218-A221 PolarHBondContact O-N 3.24Å; V218-E222 HydrophobicContact CG1-CG 4.44Å; V218-E222 WeakPolarHBondContact O-CG 3.32Å; V218-E222 PolarHBondContact O-N 3.5Å
219E91.8Very high87.6Confident126 Ų12673.6 Ų73.659%0.58938%0.376SS*.Hα-helixtrans-57.6-43.5176.6-76.2-175171.200111.6T215 E216 E222 Q223T215-E219 WeakPolarHBondContact O-CG 3.44Å; T215-E219 PolarHBondContact O-N 3.07Å; E216-E219 PolarHBondContact O-N 3.18Å; E219-E222 PolarHBondContact O-N 3.33Å; E219-Q223 WeakPolarHBondContact O-CB 3.1Å; E219-Q223 PolarHBondContact O-N 2.74Å
220K91.5Very high88.7Confident110 Ų11075.1 Ų75.148%0.47838%0.383SS..Hα-helixtrans-63.3-45.1175.4-176.8-177.5175.4-1700112.3E216 V218 E222 Q223 D224E216-K220 WeakPolarHBondContact O-CB 3.21Å; E216-K220 PolarHBondContact O-N 2.72Å; V218-K220 VanDerWaalsContact C-N 3.29Å; V218-K220 PolarHBondContact O-N 2.84Å; K220-E222 VanDerWaalsContact C-N 3.31Å; K220-E222 PolarHBondContact O-N 3.31Å; K220-Q223 PolarHBondContact O-N 3.43Å; K220-D224 VanDerWaalsContact O-CG 3.32Å; K220-D224 PolarHBondContact O-N 3.03Å
221A90.4Very high89.7Confident0 Ų076.6 Ų76.60%038%0.383CS..Hα-helixtrans-62.5-38.917700000112.1R179 V180 A183 E217 V218 L225R179-A221 HydrophobicContact CG-CB 4.48Å; V180-A221 HydrophobicContact CG2-CB 3.77Å; V180-A221 WeakPolarHBondContact CG2-O 3.44Å; A183-A221 HydrophobicContact CB-CB 4.32Å; E217-A221 WeakPolarHBondContact O-CB 3.4Å; E217-A221 PolarHBondContact O-N 3.38Å; V218-A221 PolarHBondContact O-N 3.24Å; A221-L225 WeakPolarHBondContact O-CB 3.02Å; A221-L225 PolarHBondContact O-N 2.84Å
222E92.7Very high90.6Very high53 Ų5374.6 Ų74.625%0.24837%0.367CS..Hα-helixtrans-67.6-39.5174.9-72.2-170.2162.800112.6V180 K184 V218 E219 K220 L225 R226V180-E222 HydrophobicContact CG1-CG 4.17Å; V180-E222 HydrophobicContact CG2-CG 4.43Å; K184-E222 WeakPolarHBondContact CE-OE1 3.19Å; K184-E222 IonicContact NZ-OE1 3.79Å; K184-E222 PolarHBondContact NZ-OE1 2.65Å; V218-E222 HydrophobicContact CG1-CG 4.44Å; V218-E222 WeakPolarHBondContact O-CG 3.32Å; V218-E222 PolarHBondContact O-N 3.5Å; E219-E222 PolarHBondContact O-N 3.33Å; K220-E222 VanDerWaalsContact C-N 3.31Å; K220-E222 PolarHBondContact O-N 3.31Å; E222-L225 PolarHBondContact O-N 2.67Å; E222-R226 WeakPolarHBondContact O-CG 3.09Å; E222-R226 PolarHBondContact O-N 2.58Å
223Q94Very high91.2Very high119 Ų11975.6 Ų75.656%0.55637%0.365SS*.Hα-helixtrans-61.8-47.6175.2-177.1175.46.500111.3E219 K220 L225 R226 L227E219-Q223 WeakPolarHBondContact O-CB 3.1Å; E219-Q223 PolarHBondContact O-N 2.74Å; K220-Q223 PolarHBondContact O-N 3.43Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.41Å; Q223-R226 WeakPolarHBondContact O-CB 3.2Å; Q223-R226 PolarHBondContact O-N 3.16Å; Q223-L227 WeakPolarHBondContact O-CG 3.44Å; Q223-L227 PolarHBondContact O-N 3.06Å
224D91.5Very high91.7Very high54 Ų5475.8 Ų75.829%0.28936%0.358SS..Hα-helixtrans-63.6-37.1177.5-69.6-26.8000111.8R179 K220 L227 A228R179-D224 IonicContact CZ-OD2 3.47Å; R179-D224 IonicContact NH1-OD2 3.45Å; R179-D224 PolarHBondContact NH1-OD2 3.38Å; R179-D224 VanDerWaalsContact NH2-CG 3.29Å; R179-D224 IonicContact NH2-OD2 2.66Å; R179-D224 PolarHBondContact NH2-OD2 3.29Å; K220-D224 VanDerWaalsContact O-CG 3.32Å; K220-D224 PolarHBondContact O-N 3.03Å; D224-L227 PolarHBondContact O-N 3.38Å; D224-A228 WeakPolarHBondContact O-CB 3.35Å; D224-A228 PolarHBondContact O-N 3.03Å
225L92.7Very high92.3Very high39 Ų3970.8 Ų70.820%0.20434%0.339CS..Hα-helixtrans-61.4-43.1173174.861.4000111.8L173 C176 K177 V180 A221 E222 Q223 L227 A228 Q229L173-L225 HydrophobicContact CD1-CD1 3.66Å; C176-L225 HydrophobicContact CB-CB 4.26Å; C176-L225 HydrophobicContact CB-CD1 3.96Å; K177-L225 HydrophobicContact CB-CD1 4.44Å; K177-L225 HydrophobicContact CG-CD1 3.56Å; V180-L225 HydrophobicContact CB-CD2 4.39Å; V180-L225 HydrophobicContact CG2-CB 3.95Å; V180-L225 HydrophobicContact CG2-CD2 3.93Å; A221-L225 WeakPolarHBondContact O-CB 3.02Å; A221-L225 PolarHBondContact O-N 2.84Å; E222-L225 PolarHBondContact O-N 2.67Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.41Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 2.81Å; L225-A228 PolarHBondContact O-N 3.35Å; L225-Q229 WeakPolarHBondContact O-CB 3.21Å; L225-Q229 PolarHBondContact O-N 3.44Å
226R94.7Very high92.6Very high169 Ų16969.3 Ų69.364%0.63833%0.331SS*.Hα-helixtrans-62.5-40.3176.5-71.3176.4-171.1150.58.8111.8E222 Q223 T230E222-R226 WeakPolarHBondContact O-CG 3.09Å; E222-R226 PolarHBondContact O-N 2.58Å; Q223-R226 WeakPolarHBondContact O-CB 3.2Å; Q223-R226 PolarHBondContact O-N 3.16Å; R226-T230 PolarHBondContact O-N 3.14Å; R226-T230 PolarHBondContact O-OG1 3.37Å
227L94.6Very high93Very high107 Ų10768 Ų6856%0.5633%0.325SS*.Hα-helixtrans-65.1-46.8176.3-69175.2000111.5Q223 D224 L225 Q229 T230 E231Q223-L227 WeakPolarHBondContact O-CG 3.44Å; Q223-L227 PolarHBondContact O-N 3.06Å; D224-L227 PolarHBondContact O-N 3.38Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 2.81Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; L227-Q229 PolarHBondContact O-N 3.42Å; L227-T230 PolarHBondContact O-N 3.27Å; L227-E231 PolarHBondContact O-N 2.8Å
228A91.4Very high93.3Very high17 Ų1767 Ų6714%0.1432%0.324CS..Hα-helixtrans-61.6-41177.400000112.1L173 C176 D224 L225 E231 F232L173-A228 HydrophobicContact CD1-CB 4.22Å; C176-A228 HydrophobicContact CB-CB 4.31Å; D224-A228 WeakPolarHBondContact O-CB 3.35Å; D224-A228 PolarHBondContact O-N 3.03Å; L225-A228 PolarHBondContact O-N 3.35Å; A228-E231 PolarHBondContact O-N 2.97Å; A228-F232 WeakPolarHBondContact O-CB 3.15Å; A228-F232 PolarHBondContact O-N 2.69Å
229Q93Very high93.5Very high60 Ų6066.5 Ų66.528%0.2832%0.321SS..Hα-helixtrans-62.7-47.7176.2-174.166.85800111.3L173 L225 L227 E231 F232 D233L173-Q229 HydrophobicContact CD1-CB 4Å; L225-Q229 WeakPolarHBondContact O-CB 3.21Å; L225-Q229 PolarHBondContact O-N 3.44Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; L227-Q229 PolarHBondContact O-N 3.42Å; Q229-E231 VanDerWaalsContact C-N 3.31Å; Q229-E231 PolarHBondContact O-N 2.87Å; Q229-F232 PolarHBondContact O-N 2.77Å; Q229-D233 PolarHBondContact NE2-OD1 2.99Å; Q229-D233 PolarHBondContact NE2-OD2 2.98Å; Q229-D233 WeakPolarHBondContact O-CB 3.32Å; Q229-D233 PolarHBondContact O-N 3.28Å
230T94.8Very high93.6Very high92 Ų9263.8 Ų63.856%0.56431%0.305SS*.Hα-helixtrans-60.4-41.8179.7-54.80000111.5R226 L227 R234R226-T230 PolarHBondContact O-N 3.14Å; R226-T230 PolarHBondContact O-OG1 3.37Å; L227-T230 PolarHBondContact O-N 3.27Å; T230-R234 WeakPolarHBondContact O-CB 3.21Å; T230-R234 PolarHBondContact O-N 3.24Å
231E94Very high93.8Very high73 Ų7363.2 Ų63.234%0.34131%0.307SS..Hα-helixtrans-71-38.4179.4-171.556.4-156.500112.1L169 L227 A228 Q229 R234 Q235L169-E231 HydrophobicContact CD1-CG 3.87Å; L169-E231 HydrophobicContact CD2-CB 4.44Å; L169-E231 HydrophobicContact CD2-CG 3.71Å; L169-E231 HydrophobicContact CG-CG 4.46Å; L227-E231 PolarHBondContact O-N 2.8Å; A228-E231 PolarHBondContact O-N 2.97Å; Q229-E231 VanDerWaalsContact C-N 3.31Å; Q229-E231 PolarHBondContact O-N 2.87Å; E231-R234 IonicContact OE1-CZ 3.79Å; E231-R234 IonicContact OE1-NE 3.85Å; E231-R234 PolarHBondContact OE1-NE 2.85Å; E231-R234 IonicContact OE1-NH2 2.91Å; E231-R234 PolarHBondContact OE1-NH2 3.24Å; E231-R234 IonicContact OE2-NE 3.65Å; E231-R234 PolarHBondContact OE2-NE 2.94Å; E231-Q235 WeakPolarHBondContact O-CB 3.35Å; E231-Q235 PolarHBondContact O-N 3.49Å
232F94.3Very high94Very high13 Ų1366 Ų666%0.05732%0.321CS..Hα-helixtrans-61.4-49.2172.3174.7-98.4000111.7T33 L35 L166 L169 R170 L173 A228 Q229 R234 Q235 A236T33-F232 HydrophobicContact CG2-CE1 4.21Å; T33-F232 HydrophobicContact CG2-CZ 4.12Å; L35-F232 HydrophobicContact CD2-CZ 3.95Å; L166-F232 HydrophobicContact CD1-CD2 3.78Å; L166-F232 HydrophobicContact CD1-CE2 3.51Å; L166-F232 HydrophobicContact CD1-CZ 4.23Å; L166-F232 HydrophobicContact CG-CE2 4.31Å; L169-F232 HydrophobicContact CB-CD2 4.32Å; R170-F232 HydrophobicContact CB-CD2 4.25Å; R170-F232 HydrophobicContact CB-CE2 3.81Å; R170-F232 HydrophobicContact CG-CE2 4.08Å; L173-F232 HydrophobicContact CD2-CB 4.12Å; L173-F232 HydrophobicContact CD2-CD1 3.86Å; L173-F232 HydrophobicContact CD2-CE1 4.43Å; L173-F232 HydrophobicContact CD2-CG 3.91Å; A228-F232 WeakPolarHBondContact O-CB 3.15Å; A228-F232 PolarHBondContact O-N 2.69Å; Q229-F232 PolarHBondContact O-N 2.77Å; F232-R234 VanDerWaalsContact C-N 3.34Å; F232-R234 PolarHBondContact O-N 3.37Å; F232-Q235 PolarHBondContact O-N 3.43Å; F232-Q235 VanDerWaalsContact O-N 3.14Å; F232-A236 WeakPolarHBondContact O-CB 3.21Å; F232-A236 PolarHBondContact O-N 3.11Å
233D92.9Very high94.1Very high80 Ų8063.4 Ų63.443%0.42831%0.309SS..Hα-helixtrans-61.6-43.6-179.4-65.2-21.6000111.1Q229 Q235 A236 E237Q229-D233 PolarHBondContact NE2-OD1 2.99Å; Q229-D233 PolarHBondContact NE2-OD2 2.98Å; Q229-D233 WeakPolarHBondContact O-CB 3.32Å; Q229-D233 PolarHBondContact O-N 3.28Å; D233-Q235 VanDerWaalsContact C-N 3.33Å; D233-Q235 PolarHBondContact O-N 2.89Å; D233-A236 PolarHBondContact O-N 3.3Å; D233-E237 PolarHBondContact O-N 2.89Å
234R95.4Very high94.1Very high116 Ų11661 Ų6144%0.43830%0.298SS..Hα-helixtrans-59-45.1174.4-169-163.869.765.65.8111.3T230 E231 F232 V238T230-R234 WeakPolarHBondContact O-CB 3.21Å; T230-R234 PolarHBondContact O-N 3.24Å; E231-R234 IonicContact OE1-CZ 3.79Å; E231-R234 IonicContact OE1-NE 3.85Å; E231-R234 PolarHBondContact OE1-NE 2.85Å; E231-R234 IonicContact OE1-NH2 2.91Å; E231-R234 PolarHBondContact OE1-NH2 3.24Å; E231-R234 IonicContact OE2-NE 3.65Å; E231-R234 PolarHBondContact OE2-NE 2.94Å; F232-R234 VanDerWaalsContact C-N 3.34Å; F232-R234 PolarHBondContact O-N 3.37Å; R234-V238 WeakPolarHBondContact O-CG2 3.33Å; R234-V238 PolarHBondContact O-N 3.36Å; R234-V238 VanDerWaalsContact O-N 3.15Å
235Q95.3Very high94.1Very high1 Ų160.1 Ų60.11%0.00530%0.302CS..Hα-helixtrans-71.6-35-179.5-171.561.93500112.7E162 L165 L166 L169 E231 F232 D233 E237 V238 T239E162-Q235 PolarHBondContact O-NE2 2.94Å; E162-Q235 PolarHBondContact OE2-NE2 3.21Å; L165-Q235 HydrophobicContact CD2-CG 4.42Å; L165-Q235 HydrophobicContact CG-CG 4.13Å; L166-Q235 HydrophobicContact CB-CG 4.04Å; L166-Q235 HydrophobicContact CD1-CB 4.23Å; L166-Q235 HydrophobicContact CD1-CG 4.17Å; L169-Q235 HydrophobicContact CD1-CB 3.46Å; L169-Q235 VanDerWaalsContact CD1-CB 3.46Å; L169-Q235 HydrophobicContact CD1-CG 3.73Å; E231-Q235 WeakPolarHBondContact O-CB 3.35Å; E231-Q235 PolarHBondContact O-N 3.49Å; F232-Q235 PolarHBondContact O-N 3.43Å; F232-Q235 VanDerWaalsContact O-N 3.14Å; D233-Q235 VanDerWaalsContact C-N 3.33Å; D233-Q235 PolarHBondContact O-N 2.89Å; Q235-E237 VanDerWaalsContact C-N 3.31Å; Q235-V238 PolarHBondContact O-N 3.12Å; Q235-T239 WeakPolarHBondContact O-CB 3.41Å; Q235-T239 PolarHBondContact O-N 3.19Å; Q235-T239 PolarHBondContact O-OG1 3.24Å
236A92.9Very high94.1Very high20 Ų2058.3 Ų58.317%0.16529%0.292CS..Hα-helixtrans-61.5-43.8175.600000110L166 F232 D233 T239 R240L166-A236 HydrophobicContact CD1-CB 3.89Å; F232-A236 WeakPolarHBondContact O-CB 3.21Å; F232-A236 PolarHBondContact O-N 3.11Å; D233-A236 PolarHBondContact O-N 3.3Å; A236-T239 PolarHBondContact O-N 3.1Å; A236-R240 VanDerWaalsContact O-CB 3.24Å; A236-R240 WeakPolarHBondContact O-CB 3.34Å; A236-R240 PolarHBondContact O-N 3.4Å
237E94.4Very high93.9Very high99 Ų9952.8 Ų52.846%0.46328%0.279SS..Hα-helixtrans-64.1-45.7176.3-172.860.2-163.400112.3D233 Q235 T239 R240 L241D233-E237 PolarHBondContact O-N 2.89Å; Q235-E237 VanDerWaalsContact C-N 3.31Å; E237-T239 VanDerWaalsContact C-N 3.31Å; E237-T239 PolarHBondContact O-N 2.78Å; E237-R240 WeakPolarHBondContact O-CB 3.41Å; E237-R240 PolarHBondContact O-N 2.55Å; E237-L241 HydrophobicContact CG-CD1 4.37Å; E237-L241 WeakPolarHBondContact O-CG 3.34Å; E237-L241 PolarHBondContact O-N 3.43Å
238V95.6Very high93.7Very high49 Ų4952 Ų5230%0.29728%0.282SS..Hα-helixtrans-57.3-46.6175.2169.70000111E162 R234 Q235 L242E162-V238 HydrophobicContact CG-CG1 4.32Å; R234-V238 WeakPolarHBondContact O-CG2 3.33Å; R234-V238 PolarHBondContact O-N 3.36Å; R234-V238 VanDerWaalsContact O-N 3.15Å; Q235-V238 PolarHBondContact O-N 3.12Å; V238-L242 HydrophobicContact CG1-CD1 4.44Å; V238-L242 WeakPolarHBondContact O-CG 3.5Å; V238-L242 PolarHBondContact O-N 3.1Å
239T95.6Very high93.7Very high0 Ų052 Ų520%028%0.281CS..Hα-helixtrans-66.2-41.4-179.9-520000110.6F39 R163 L166 Q235 A236 E237 L242 L243F39-T239 HydrophobicContact CE2-CG2 4.46Å; F39-T239 HydrophobicContact CZ-CG2 3.8Å; R163-T239 HydrophobicContact CG-CG2 3.79Å; L166-T239 HydrophobicContact CD2-CG2 4.05Å; Q235-T239 WeakPolarHBondContact O-CB 3.41Å; Q235-T239 PolarHBondContact O-N 3.19Å; Q235-T239 PolarHBondContact O-OG1 3.24Å; A236-T239 PolarHBondContact O-N 3.1Å; E237-T239 VanDerWaalsContact C-N 3.31Å; E237-T239 PolarHBondContact O-N 2.78Å; T239-L242 PolarHBondContact O-N 3.49Å; T239-L243 HydrophobicContact CG2-CD1 4.06Å; T239-L243 HydrophobicContact CG2-CG 4.39Å; T239-L243 VanDerWaalsContact O-CG 3.24Å; T239-L243 WeakPolarHBondContact O-CG 3.48Å; T239-L243 PolarHBondContact O-N 3.25Å
240R94.4Very high93.7Very high69 Ų6952.8 Ų52.826%0.2629%0.285SS..Hα-helixtrans-57.7-51.2177.3-178.1-175173.9122.13.6111.3H38 F39 L42 A236 E237 L242 L243 E244H38-R240 PolarHBondContact CE1-NH2 3.3Å; H38-R240 PolarHBondContact ND1-NH2 2.9Å; F39-R240 HydrophobicContact CD2-CB 4.1Å; F39-R240 HydrophobicContact CD2-CG 4.4Å; F39-R240 HydrophobicContact CE2-CB 3.86Å; L42-R240 HydrophobicContact CD1-CG 4.24Å; A236-R240 VanDerWaalsContact O-CB 3.24Å; A236-R240 WeakPolarHBondContact O-CB 3.34Å; A236-R240 PolarHBondContact O-N 3.4Å; E237-R240 WeakPolarHBondContact O-CB 3.41Å; E237-R240 PolarHBondContact O-N 2.55Å; R240-L242 VanDerWaalsContact C-N 3.27Å; R240-L242 PolarHBondContact O-N 3.01Å; R240-L243 PolarHBondContact O-N 3Å; R240-L243 VanDerWaalsContact O-N 3.08Å; R240-E244 HydrophobicContact CG-CG 4.42Å; R240-E244 IonicContact CZ-OE1 3.78Å; R240-E244 IonicContact NE-OE1 2.74Å; R240-E244 PolarHBondContact NE-OE1 3.23Å; R240-E244 IonicContact NH2-OE1 2.7Å; R240-E244 PolarHBondContact NH2-OE1 2.86Å; R240-E244 WeakPolarHBondContact O-CG 3.21Å; R240-E244 PolarHBondContact O-N 2.83Å
241L95.1Very high93.6Very high97 Ų9753.3 Ų53.351%0.50829%0.288SS..Hα-helixtrans-58.6-39.5179.9-70.5171.7000112E237 G245E237-L241 HydrophobicContact CG-CD1 4.37Å; E237-L241 WeakPolarHBondContact O-CG 3.34Å; E237-L241 PolarHBondContact O-N 3.43Å; L241-G245 PolarHBondContact O-N 2.83Å
242L95.2Very high93.6Very high58 Ų5852.4 Ų52.430%0.30429%0.285SS..Hα-helixtrans-65.5-41.3175.4-70.8173000112.5T158 I159 E162 V238 T239 R240 G245T158-L242 HydrophobicContact CG2-CD1 4.3Å; I159-L242 HydrophobicContact CG1-CB 4.12Å; E162-L242 HydrophobicContact CB-CD1 3.93Å; E162-L242 HydrophobicContact CG-CD1 3.5Å; V238-L242 HydrophobicContact CG1-CD1 4.44Å; V238-L242 WeakPolarHBondContact O-CG 3.5Å; V238-L242 PolarHBondContact O-N 3.1Å; T239-L242 PolarHBondContact O-N 3.49Å; R240-L242 VanDerWaalsContact C-N 3.27Å; R240-L242 PolarHBondContact O-N 3.01Å; L242-G245 PolarHBondContact O-N 3.2Å
243L94.6Very high93.6Very high0 Ų052.6 Ų52.60%029%0.286CS..Hα-helixtrans-70.9-33.9178.7-62.6168.5000112.5F39 L42 M43 A46 I159 T239 R240 G245 I246F39-L243 HydrophobicContact CE1-CD1 4.27Å; F39-L243 HydrophobicContact CE2-CD1 4.11Å; F39-L243 HydrophobicContact CZ-CD1 3.89Å; L42-L243 HydrophobicContact CB-CB 3.95Å; L42-L243 HydrophobicContact CB-CD1 4.13Å; L42-L243 HydrophobicContact CD1-CB 4.31Å; M43-L243 HydrophobicContact CG-CD1 3.87Å; M43-L243 HydrophobicContact SD-CD1 3.72Å; M43-L243 HydrophobicContact SD-CD2 4.32Å; A46-L243 HydrophobicContact CB-CD2 3.44Å; A46-L243 VanDerWaalsContact CB-CD2 3.44Å; I159-L243 HydrophobicContact CG2-CD2 4Å; T239-L243 HydrophobicContact CG2-CD1 4.06Å; T239-L243 HydrophobicContact CG2-CG 4.39Å; T239-L243 VanDerWaalsContact O-CG 3.24Å; T239-L243 WeakPolarHBondContact O-CG 3.48Å; T239-L243 PolarHBondContact O-N 3.25Å; R240-L243 PolarHBondContact O-N 3Å; R240-L243 VanDerWaalsContact O-N 3.08Å; L243-G245 VanDerWaalsContact C-N 3.32Å; L243-I246 HydrophobicContact CD2-CD1 4.22Å; L243-I246 WeakPolarHBondContact O-CB 3.48Å; L243-I246 PolarHBondContact O-N 3.12Å
244E93.3Very high93.8Very high69 Ų6953.6 Ų53.632%0.32229%0.291SS..Hα-helixtrans-66.6-36.5171.3-71.6178.6177.800110.9H38 L42 R240 I246 S247H38-E244 IonicContact CE1-OE1 3.43Å; L42-E244 HydrophobicContact CD1-CG 3.74Å; L42-E244 HydrophobicContact CD2-CG 4.22Å; R240-E244 HydrophobicContact CG-CG 4.42Å; R240-E244 IonicContact CZ-OE1 3.78Å; R240-E244 IonicContact NE-OE1 2.74Å; R240-E244 PolarHBondContact NE-OE1 3.23Å; R240-E244 IonicContact NH2-OE1 2.7Å; R240-E244 PolarHBondContact NH2-OE1 2.86Å; R240-E244 WeakPolarHBondContact O-CG 3.21Å; R240-E244 PolarHBondContact O-N 2.83Å; E244-I246 PolarHBondContact O-N 3.48Å; E244-I246 VanDerWaalsContact O-N 3.13Å; E244-S247 PolarHBondContact O-N 2.76Å; E244-S247 VanDerWaalsContact O-N 3.17Å
245G92.9Very high93.9Very high35 Ų3554 Ų5436%0.36129%0.292SS..Hα-helixtrans-57.8-23.917500000114.9L241 L242 L243 S247 S248 T249L241-G245 PolarHBondContact O-N 2.83Å; L242-G245 PolarHBondContact O-N 3.2Å; L243-G245 VanDerWaalsContact C-N 3.32Å; G245-S247 PolarHBondContact O-N 3.43Å; G245-S247 VanDerWaalsContact O-N 3.15Å; G245-S248 WeakPolarHBondContact O-CB 3.44Å; G245-S248 PolarHBondContact O-N 2.91Å; G245-T249 PolarHBondContact O-N 3.14Å
246I92.4Very high93.9Very high1 Ų153.9 Ų53.91%0.00529%0.292CS..Hα-helixtrans-58.5-29.5177.2-62.6177.9000112A46 T49 I159 L243 E244 S248 T249 H250A46-I246 HydrophobicContact CB-CD1 3.24Å; T49-I246 HydrophobicContact CG2-CG2 3.92Å; I159-I246 HydrophobicContact CD1-CD1 4.17Å; I159-I246 HydrophobicContact CD1-CG1 4.1Å; L243-I246 HydrophobicContact CD2-CD1 4.22Å; L243-I246 WeakPolarHBondContact O-CB 3.48Å; L243-I246 PolarHBondContact O-N 3.12Å; E244-I246 PolarHBondContact O-N 3.48Å; E244-I246 VanDerWaalsContact O-N 3.13Å; I246-S248 PolarHBondContact O-N 3.39Å; I246-T249 WeakPolarHBondContact O-CA 3.36Å; I246-T249 VanDerWaalsContact O-CB 3.3Å; I246-T249 WeakPolarHBondContact O-CB 3.45Å; I246-T249 PolarHBondContact O-N 2.97Å; I246-T249 VanDerWaalsContact O-N 3.08Å; I246-H250 PolarHBondContact O-N 3.23Å
247S89.4Confident94.1Very high52 Ų5256.6 Ų56.636%0.36430%0.303SS..Hα-helixtrans-60.9-34.9175-69.80000112.3R45 E244 G245 H250 V251R45-S247 PolarHBondContact NH1-OG 3.42Å; R45-S247 PolarHBondContact NH2-OG 3.21Å; E244-S247 PolarHBondContact O-N 2.76Å; E244-S247 VanDerWaalsContact O-N 3.17Å; G245-S247 PolarHBondContact O-N 3.43Å; G245-S247 VanDerWaalsContact O-N 3.15Å; S247-H250 PolarHBondContact O-N 3.16Å; S247-V251 PolarHBondContact O-N 2.97Å
248S90.8Very high94.3Very high90 Ų9057.6 Ų57.663%0.62931%0.308SS*.Hα-helixtrans-68.3-39.3173-173.80000111.5G245 I246 H250 V251 N252G245-S248 WeakPolarHBondContact O-CB 3.44Å; G245-S248 PolarHBondContact O-N 2.91Å; I246-S248 PolarHBondContact O-N 3.39Å; S248-H250 VanDerWaalsContact C-N 3.28Å; S248-H250 PolarHBondContact O-N 3.13Å; S248-V251 PolarHBondContact O-N 2.93Å; S248-N252 PolarHBondContact O-N 3.45Å
249T91.1Very high94.3Very high19 Ų1958.4 Ų58.412%0.11731%0.308CS..Hα-helixtrans-59.8-39.8174.5-49.10000111.4F151 G245 I246 V251 N252 H253F151-T249 HydrophobicContact CB-CG2 4.33Å; F151-T249 HydrophobicContact CD2-CG2 3.35Å; F151-T249 HydrophobicContact CE2-CG2 3.67Å; F151-T249 HydrophobicContact CG-CG2 3.81Å; F151-T249 HydrophobicContact CZ-CG2 4.38Å; G245-T249 PolarHBondContact O-N 3.14Å; I246-T249 WeakPolarHBondContact O-CA 3.36Å; I246-T249 VanDerWaalsContact O-CB 3.3Å; I246-T249 WeakPolarHBondContact O-CB 3.45Å; I246-T249 PolarHBondContact O-N 2.97Å; I246-T249 VanDerWaalsContact O-N 3.08Å; T249-V251 VanDerWaalsContact C-N 3.34Å; T249-V251 PolarHBondContact O-N 3.03Å; T249-N252 WeakPolarHBondContact O-CB 3.37Å; T249-N252 PolarHBondContact O-N 2.7Å; T249-N252 VanDerWaalsContact O-N 3.13Å; T249-H253 VanDerWaalsContact CG2-CE1 3.47Å; T249-H253 WeakPolarHBondContact CG2-CE1 3.3Å; T249-H253 VanDerWaalsContact CG2-NE2 3.35Å; T249-H253 WeakPolarHBondContact CG2-NE2 3.45Å; T249-H253 PolarHBondContact O-CD2 2.95Å; T249-H253 PolarHBondContact O-N 2.89Å
250H92.7Very high94.4Very high76 Ų7659.3 Ų59.335%0.35231%0.312SS..Hα-helixtrans-61.4-38.9176.2-77.2-177.3000113T49 I246 S247 S248 N252 H253 L254T49-H250 VanDerWaalsContact CG2-NE2 3.29Å; T49-H250 WeakPolarHBondContact CG2-NE2 3.46Å; T49-H250 PolarHBondContact OG1-CE1 3.03Å; T49-H250 PolarHBondContact OG1-NE2 3.32Å; I246-H250 PolarHBondContact O-N 3.23Å; S247-H250 PolarHBondContact O-N 3.16Å; S248-H250 VanDerWaalsContact C-N 3.28Å; S248-H250 PolarHBondContact O-N 3.13Å; H250-N252 VanDerWaalsContact C-N 3.29Å; H250-N252 PolarHBondContact O-N 2.67Å; H250-H253 PolarHBondContact O-N 3.33Å; H250-L254 WeakPolarHBondContact O-CB 3.41Å; H250-L254 PolarHBondContact O-N 2.81Å
251V94.7Very high94.5Very high103 Ų10360.1 Ų60.162%0.62433%0.325SS*.Hα-helixtrans-61.7-42.1174.2177.70000110.5S247 S248 T249 L254 R255S247-V251 PolarHBondContact O-N 2.97Å; S248-V251 PolarHBondContact O-N 2.93Å; T249-V251 VanDerWaalsContact C-N 3.34Å; T249-V251 PolarHBondContact O-N 3.03Å; V251-L254 PolarHBondContact O-N 3.45Å; V251-R255 PolarHBondContact O-N 2.91Å; V251-R255 VanDerWaalsContact O-N 3.15Å
252N93.5Very high94.6Very high53 Ų5362.6 Ų62.628%0.28333%0.333SS..Hα-helixtrans-64.3-45.9175.2-173.953.3000111.9S248 T249 H250 L254 R255 C256S248-N252 PolarHBondContact O-N 3.45Å; T249-N252 WeakPolarHBondContact O-CB 3.37Å; T249-N252 PolarHBondContact O-N 2.7Å; T249-N252 VanDerWaalsContact O-N 3.13Å; H250-N252 VanDerWaalsContact C-N 3.29Å; H250-N252 PolarHBondContact O-N 2.67Å; N252-L254 VanDerWaalsContact C-N 3.31Å; N252-L254 PolarHBondContact O-N 2.9Å; N252-R255 WeakPolarHBondContact O-CB 3.28Å; N252-R255 PolarHBondContact O-N 3.29Å; N252-R255 PolarHBondContact OD1-NH2 2.96Å; N252-C256 PolarHBondContact O-N 3.5Å; N252-C256 PolarHBondContact O-SG 3.38Å
253H94.8Very high94.7Very high17 Ų1760.4 Ų60.48%0.07932%0.324CS..Hα-helixtrans-60.6-39.1177.4-67.9177.3000112.3T53 L148 F151 T249 H250 C256 L257T53-H253 PolarHBondContact OG1-CE1 3.35Å; L148-H253 WeakPolarHBondContact CD2-CD2 3.37Å; L148-H253 WeakPolarHBondContact CD2-NE2 3.45Å; F151-H253 AromaticContact CD1-CE1 3.89Å; T249-H253 VanDerWaalsContact CG2-CE1 3.47Å; T249-H253 WeakPolarHBondContact CG2-CE1 3.3Å; T249-H253 VanDerWaalsContact CG2-NE2 3.35Å; T249-H253 WeakPolarHBondContact CG2-NE2 3.45Å; T249-H253 PolarHBondContact O-CD2 2.95Å; T249-H253 PolarHBondContact O-N 2.89Å; H250-H253 PolarHBondContact O-N 3.33Å; H253-C256 PolarHBondContact O-N 3.49Å; H253-L257 WeakPolarHBondContact O-CG 3.41Å; H253-L257 PolarHBondContact O-N 2.9Å
254L96.8Very high94.8Very high101 Ų10162.6 Ų62.653%0.52933%0.334SS..Hα-helixtrans-60.4-46.9175.518064.7000111.2H250 V251 N252 C256 L257 H258H250-L254 WeakPolarHBondContact O-CB 3.41Å; H250-L254 PolarHBondContact O-N 2.81Å; V251-L254 PolarHBondContact O-N 3.45Å; N252-L254 VanDerWaalsContact C-N 3.31Å; N252-L254 PolarHBondContact O-N 2.9Å; L254-C256 VanDerWaalsContact C-N 3.35Å; L254-C256 PolarHBondContact O-N 2.95Å; L254-L257 WeakPolarHBondContact O-CB 2.99Å; L254-L257 PolarHBondContact O-N 3.46Å; L254-H258 PolarHBondContact O-CD2 2.79Å; L254-H258 VanDerWaalsContact O-CD2 3.23Å; L254-H258 PolarHBondContact O-N 3Å; L254-H258 VanDerWaalsContact O-N 3.13Å
255R96.6Very high95Very high124 Ų12462.1 Ų62.147%0.46834%0.342SS..Hα-helixtrans-58.9-46.6174.6-179.3-176.964.995.60111.6V251 N252 L257 H258 E259V251-R255 PolarHBondContact O-N 2.91Å; V251-R255 VanDerWaalsContact O-N 3.15Å; N252-R255 WeakPolarHBondContact O-CB 3.28Å; N252-R255 PolarHBondContact O-N 3.29Å; N252-R255 PolarHBondContact OD1-NH2 2.96Å; R255-L257 VanDerWaalsContact C-N 3.28Å; R255-L257 PolarHBondContact O-N 3.17Å; R255-H258 PolarHBondContact O-N 3.45Å; R255-H258 VanDerWaalsContact O-N 3.14Å; R255-E259 VanDerWaalsContact CG-OE1 3.31Å; R255-E259 WeakPolarHBondContact CG-OE1 3.45Å; R255-E259 IonicContact CZ-OE1 2.72Å; R255-E259 IonicContact NE-OE1 3.13Å; R255-E259 IonicContact NH1-OE1 3.59Å; R255-E259 PolarHBondContact NH1-OE1 3.04Å; R255-E259 IonicContact NH1-OE2 3.68Å; R255-E259 PolarHBondContact O-N 3.21Å
256C96.3Very high95.2Very high0 Ų063.2 Ų63.20%035%0.348CS..Hα-helixtrans-59.5-39.7178.8-59.50000111.3S143 F144 N252 H253 L254 E259 F260S143-C256 WeakPolarHBondContact O-CB 3.12Å; S143-C256 PolarHBondContact O-SG 3.46Å; F144-C256 HydrophobicContact CD2-CB 3.77Å; F144-C256 WeakPolarHBondContact CD2-O 3.42Å; F144-C256 HydrophobicContact CE2-CB 4.35Å; N252-C256 PolarHBondContact O-N 3.5Å; N252-C256 PolarHBondContact O-SG 3.38Å; H253-C256 PolarHBondContact O-N 3.49Å; L254-C256 VanDerWaalsContact C-N 3.35Å; L254-C256 PolarHBondContact O-N 2.95Å; C256-E259 PolarHBondContact O-N 3.37Å; C256-F260 WeakPolarHBondContact O-CB 3.14Å; C256-F260 PolarHBondContact O-N 3.25Å
257L97.3Very high95.5Very high77 Ų7765.6 Ų65.640%0.40336%0.357SS..Hα-helixtrans-62.1-43.1175.7-76.6166.5000112.2F144 H253 L254 R255 F260 V261F144-L257 HydrophobicContact CE2-CD2 3.55Å; F144-L257 HydrophobicContact CE2-CG 3.9Å; F144-L257 HydrophobicContact CZ-CD2 3.77Å; H253-L257 WeakPolarHBondContact O-CG 3.41Å; H253-L257 PolarHBondContact O-N 2.9Å; L254-L257 WeakPolarHBondContact O-CB 2.99Å; L254-L257 PolarHBondContact O-N 3.46Å; R255-L257 VanDerWaalsContact C-N 3.28Å; R255-L257 PolarHBondContact O-N 3.17Å; L257-F260 PolarHBondContact O-N 2.69Å; L257-V261 WeakPolarHBondContact O-CG2 3.42Å; L257-V261 PolarHBondContact O-N 2.94Å
258H97.3Very high95.9Very high120 Ų12070.2 Ų70.256%0.55637%0.368SS*.Hα-helixtrans-61.7-47.4175.3-79.6-72.9000111.6L254 R255 F260 V261 E262L254-H258 PolarHBondContact O-CD2 2.79Å; L254-H258 VanDerWaalsContact O-CD2 3.23Å; L254-H258 PolarHBondContact O-N 3Å; L254-H258 VanDerWaalsContact O-N 3.13Å; R255-H258 PolarHBondContact O-N 3.45Å; R255-H258 VanDerWaalsContact O-N 3.14Å; H258-F260 VanDerWaalsContact C-N 3.29Å; H258-F260 PolarHBondContact O-N 3.44Å; H258-V261 PolarHBondContact O-N 2.9Å; H258-E262 PolarHBondContact O-N 3.38Å
259E96.1Very high96.2Very high65 Ų6572.9 Ų72.930%0.30437%0.368SS..Hα-helixtrans-61-38177.8-70.3174.9-161.200112S143 R255 C256 E262 A263S143-E259 WeakPolarHBondContact CB-OE2 3.36Å; R255-E259 VanDerWaalsContact CG-OE1 3.31Å; R255-E259 WeakPolarHBondContact CG-OE1 3.45Å; R255-E259 IonicContact CZ-OE1 2.72Å; R255-E259 IonicContact NE-OE1 3.13Å; R255-E259 IonicContact NH1-OE1 3.59Å; R255-E259 PolarHBondContact NH1-OE1 3.04Å; R255-E259 IonicContact NH1-OE2 3.68Å; R255-E259 PolarHBondContact O-N 3.21Å; C256-E259 PolarHBondContact O-N 3.37Å; E259-E262 PolarHBondContact O-N 3.4Å; E259-A263 WeakPolarHBondContact O-CB 3.43Å; E259-A263 PolarHBondContact O-N 3.2Å
260F96.9Very high96.5Very high19 Ų1975.2 Ų75.28%0.08338%0.377CS..Hα-helixtrans-64.4-45.6175.9178.3-112.6000112.5T60 L63 F136 F144 C256 L257 H258 E262 A263 Q264T60-F260 HydrophobicContact CG2-CE2 3.73Å; T60-F260 HydrophobicContact CG2-CZ 3.72Å; L63-F260 HydrophobicContact CD2-CZ 4.15Å; F136-F260 HydrophobicContact CE2-CE2 4.47Å; F136-F260 HydrophobicContact CZ-CE2 4.3Å; F144-F260 HydrophobicContact CB-CB 4.05Å; F144-F260 HydrophobicContact CB-CD2 4.19Å; F144-F260 HydrophobicContact CB-CG 4.4Å; F144-F260 HydrophobicContact CD1-CD2 4.15Å; F144-F260 HydrophobicContact CD1-CG 4.22Å; F144-F260 HydrophobicContact CD2-CB 3.82Å; F144-F260 HydrophobicContact CD2-CG 4.34Å; F144-F260 HydrophobicContact CE2-CB 4.4Å; F144-F260 HydrophobicContact CG-CB 3.88Å; F144-F260 HydrophobicContact CG-CD2 4.17Å; F144-F260 HydrophobicContact CG-CG 4.07Å; C256-F260 WeakPolarHBondContact O-CB 3.14Å; C256-F260 PolarHBondContact O-N 3.25Å; L257-F260 PolarHBondContact O-N 2.69Å; H258-F260 VanDerWaalsContact C-N 3.29Å; H258-F260 PolarHBondContact O-N 3.44Å; F260-E262 VanDerWaalsContact C-N 3.33Å; F260-E262 PolarHBondContact O-N 2.68Å; F260-A263 PolarHBondContact O-N 3.06Å; F260-Q264 VanDerWaalsContact CE1-CD 3.45Å; F260-Q264 HydrophobicContact CE1-CG 4.21Å; F260-Q264 HydrophobicContact CE2-CG 4.16Å; F260-Q264 VanDerWaalsContact CZ-CD 3.47Å; F260-Q264 HydrophobicContact CZ-CG 3.98Å; F260-Q264 WeakPolarHBondContact O-CG 3.44Å; F260-Q264 PolarHBondContact O-N 3.31Å
261V97.6Very high96.7Very high87 Ų8772.2 Ų72.253%0.52737%0.367SS..Hα-helixtrans-64.1-40177.9171.90000110.9L257 H258 Q264 A265L257-V261 WeakPolarHBondContact O-CG2 3.42Å; L257-V261 PolarHBondContact O-N 2.94Å; H258-V261 PolarHBondContact O-N 2.9Å; V261-Q264 PolarHBondContact O-N 3.42Å; V261-A265 WeakPolarHBondContact O-CB 3.39Å; V261-A265 PolarHBondContact O-N 3.47Å
262E97.6Very high96.8Very high148 Ų14873.1 Ų73.169%0.69236%0.364SS*.Hα-helixtrans-64.2-42.2175-73.1-160.2-18000112.2H258 E259 F260 Q264 A265 A266H258-E262 PolarHBondContact O-N 3.38Å; E259-E262 PolarHBondContact O-N 3.4Å; F260-E262 VanDerWaalsContact C-N 3.33Å; F260-E262 PolarHBondContact O-N 2.68Å; E262-Q264 PolarHBondContact O-N 2.91Å; E262-A265 PolarHBondContact O-N 3.19Å; E262-A266 WeakPolarHBondContact O-CB 3.34Å; E262-A266 PolarHBondContact O-N 3.23Å
263A96.1Very high97Very high13 Ų1375.1 Ų75.111%0.10737%0.374CS..Hα-helixtrans-61.2-43.4175.400000111.9F136 T139 E259 F260 A266 Y267F136-A263 HydrophobicContact CD2-CB 4.21Å; F136-A263 HydrophobicContact CE2-CB 4.32Å; T139-A263 HydrophobicContact CG2-CB 4Å; E259-A263 WeakPolarHBondContact O-CB 3.43Å; E259-A263 PolarHBondContact O-N 3.2Å; F260-A263 PolarHBondContact O-N 3.06Å; A263-A266 PolarHBondContact O-N 3.02Å; A263-Y267 PolarHBondContact O-N 3.29Å
264Q96.9Very high97.1Very high46 Ų4675.7 Ų75.722%0.21538%0.377CS..Hα-helixtrans-61.3-46.7174.7-76.1-170.2-40.100112F136 F260 V261 E262 A266 Y267 Y268F136-Q264 HydrophobicContact CE2-CB 4.16Å; F136-Q264 HydrophobicContact CE2-CG 3.42Å; F136-Q264 VanDerWaalsContact CE2-CG 3.42Å; F136-Q264 HydrophobicContact CZ-CG 3.53Å; F260-Q264 VanDerWaalsContact CE1-CD 3.45Å; F260-Q264 HydrophobicContact CE1-CG 4.21Å; F260-Q264 HydrophobicContact CE2-CG 4.16Å; F260-Q264 VanDerWaalsContact CZ-CD 3.47Å; F260-Q264 HydrophobicContact CZ-CG 3.98Å; F260-Q264 WeakPolarHBondContact O-CG 3.44Å; F260-Q264 PolarHBondContact O-N 3.31Å; V261-Q264 PolarHBondContact O-N 3.42Å; E262-Q264 PolarHBondContact O-N 2.91Å; Q264-A266 VanDerWaalsContact C-N 3.33Å; Q264-A266 PolarHBondContact O-N 3.44Å; Q264-Y267 PolarHBondContact O-N 2.89Å; Q264-Y268 WeakPolarHBondContact O-CD2 3.5Å; Q264-Y268 PolarHBondContact O-N 3.37Å; Q264-Y268 VanDerWaalsContact O-N 3.11Å
265A98Very high97.1Very high59 Ų5973.8 Ų73.849%0.48837%0.366SS..Hα-helixtrans-62.6-41.4179.600000111.9V261 E262 K269V261-A265 WeakPolarHBondContact O-CB 3.39Å; V261-A265 PolarHBondContact O-N 3.47Å; E262-A265 PolarHBondContact O-N 3.19Å; A265-K269 VanDerWaalsContact O-CB 3.25Å; A265-K269 WeakPolarHBondContact O-CB 3.19Å; A265-K269 PolarHBondContact O-N 3.45Å
266A97.3Very high97.1Very high58 Ų5872.3 Ų72.348%0.47937%0.367SS..Hα-helixtrans-61.3-45.2176.100000111.7E262 A263 Q264 K269 Q270E262-A266 WeakPolarHBondContact O-CB 3.34Å; E262-A266 PolarHBondContact O-N 3.23Å; A263-A266 PolarHBondContact O-N 3.02Å; Q264-A266 VanDerWaalsContact C-N 3.33Å; Q264-A266 PolarHBondContact O-N 3.44Å; A266-K269 PolarHBondContact O-N 3.36Å; A266-Q270 WeakPolarHBondContact O-CB 3.49Å; A266-Q270 PolarHBondContact O-N 2.94Å
267Y97.3Very high97.1Very high50 Ų5076.6 Ų76.620%0.19639%0.387CS..Hα-helixtrans-58.4-54.4177.9172.3-119.9000112.6A132 E133 F136 A263 Q264 K269 Q270 G271A132-Y267 HydrophobicContact CB-CD2 4.2Å; A132-Y267 HydrophobicContact CB-CE2 4.28Å; E133-Y267 VanDerWaalsContact CA-CE2 3.42Å; E133-Y267 HydrophobicContact CB-CE2 3.84Å; F136-Y267 HydrophobicContact CB-CD2 3.88Å; F136-Y267 HydrophobicContact CB-CG 3.82Å; F136-Y267 AromaticContact CD1-CD1 3.98Å; F136-Y267 HydrophobicContact CD1-CD1 3.98Å; F136-Y267 HydrophobicContact CD1-CE1 4.37Å; F136-Y267 HydrophobicContact CD1-CG 4.1Å; F136-Y267 HydrophobicContact CD2-CG 4.44Å; F136-Y267 HydrophobicContact CE1-CD1 4.45Å; F136-Y267 HydrophobicContact CG-CD1 4.15Å; F136-Y267 HydrophobicContact CG-CD2 4.36Å; F136-Y267 AromaticContact CG-CG 3.84Å; F136-Y267 HydrophobicContact CG-CG 3.84Å; A263-Y267 PolarHBondContact O-N 3.29Å; Q264-Y267 PolarHBondContact O-N 2.89Å; Y267-K269 VanDerWaalsContact C-N 3.3Å; Y267-K269 PolarHBondContact O-N 2.88Å; Y267-Q270 PolarHBondContact O-N 3.35Å; Y267-G271 PolarHBondContact O-N 3.37Å
268Y97.8Very high97Very high150 Ų15073.7 Ų73.759%0.58837%0.372SS*.Hα-helixtrans-64.1-36.8-179.1-71.7-61.4000112.5Q264 G271 H272Q264-Y268 WeakPolarHBondContact O-CD2 3.5Å; Q264-Y268 PolarHBondContact O-N 3.37Å; Q264-Y268 VanDerWaalsContact O-N 3.11Å; Y268-G271 PolarHBondContact O-N 2.95Å; Y268-H272 WeakPolarHBondContact O-CB 3.49Å; Y268-H272 PolarHBondContact O-N 3.26Å
269K97.8Very high96.9Very high146 Ų14674.7 Ų74.764%0.63538%0.377SS*.Hα-helixtrans-62-46.9174.3-178.7-177.7178.1-176.20111.2A265 A266 Y267 H272 L273A265-K269 VanDerWaalsContact O-CB 3.25Å; A265-K269 WeakPolarHBondContact O-CB 3.19Å; A265-K269 PolarHBondContact O-N 3.45Å; A266-K269 PolarHBondContact O-N 3.36Å; Y267-K269 VanDerWaalsContact C-N 3.3Å; Y267-K269 PolarHBondContact O-N 2.88Å; K269-H272 PolarHBondContact O-N 3Å; K269-L273 HydrophobicContact CG-CD1 4.29Å; K269-L273 WeakPolarHBondContact O-CG 3.41Å; K269-L273 PolarHBondContact O-N 2.99Å
270Q96.8Very high96.7Very high67 Ų6779.4 Ų79.431%0.31340%0.396SS..Hα-helixtrans-64-43.6179.3-173.6178.113.100111.4A132 A266 Y267 H272 L273 H274A132-Q270 HydrophobicContact CB-CG 4.11Å; A266-Q270 WeakPolarHBondContact O-CB 3.49Å; A266-Q270 PolarHBondContact O-N 2.94Å; Y267-Q270 PolarHBondContact O-N 3.35Å; Q270-H272 PolarHBondContact O-N 3.3Å; Q270-L273 PolarHBondContact O-N 3.49Å; Q270-H274 WeakPolarHBondContact CG-NE2 3.35Å; Q270-H274 PolarHBondContact O-CD2 2.84Å; Q270-H274 VanDerWaalsContact O-CD2 3.29Å; Q270-H274 PolarHBondContact O-N 3.07Å
271G97.1Very high96.4Very high13 Ų1381.2 Ų81.213%0.13441%0.405CS..Hα-helixtrans-59.1-44.5175.500000112.7Y267 Y268 L273 H274 M275Y267-G271 PolarHBondContact O-N 3.37Å; Y268-G271 PolarHBondContact O-N 2.95Å; G271-L273 PolarHBondContact O-N 3.12Å; G271-H274 PolarHBondContact O-N 2.92Å; G271-M275 VanDerWaalsContact O-CG 3.31Å; G271-M275 WeakPolarHBondContact O-CG 3.35Å; G271-M275 PolarHBondContact O-N 3.27Å; G271-M275 VanDerWaalsContact O-N 3.11Å
272H97.8Very high96Very high122 Ų12279.5 Ų79.557%0.56539%0.393SS*.Hα-helixtrans-61.2-43175.8179.766000112.6Y268 K269 Q270 M275 L276Y268-H272 WeakPolarHBondContact O-CB 3.49Å; Y268-H272 PolarHBondContact O-N 3.26Å; K269-H272 PolarHBondContact O-N 3Å; Q270-H272 PolarHBondContact O-N 3.3Å; H272-M275 PolarHBondContact O-N 2.95Å; H272-L276 WeakPolarHBondContact O-CB 3.44Å; H272-L276 PolarHBondContact O-N 3.43Å
273L97.6Very high95.3Very high96 Ų9674.5 Ų74.550%0.50338%0.38SS..Hα-helixtrans-64-43.9179-70.4172.4000112.2K269 Q270 G271 M275 L276 E277K269-L273 HydrophobicContact CG-CD1 4.29Å; K269-L273 WeakPolarHBondContact O-CG 3.41Å; K269-L273 PolarHBondContact O-N 2.99Å; Q270-L273 PolarHBondContact O-N 3.49Å; G271-L273 PolarHBondContact O-N 3.12Å; L273-M275 VanDerWaalsContact C-N 3.34Å; L273-M275 PolarHBondContact O-N 3.42Å; L273-L276 PolarHBondContact O-N 3.35Å; L273-E277 PolarHBondContact O-N 3.05Å
274H97.1Very high94.1Very high29 Ų2977.9 Ų77.913%0.13440%0.404CS..Hα-helixtrans-60.6-42.9176.4-69.4-42.7000111.9C125 R128 L129 Q270 G271 E277 L278C125-H274 PolarHBondContact SG-O 3.48Å; R128-H274 PolarHBondContact NH1-ND1 2.95Å; R128-H274 VanDerWaalsContact NH1-ND1 3.12Å; L129-H274 HydrophobicContact CD2-CB 4.06Å; Q270-H274 WeakPolarHBondContact CG-NE2 3.35Å; Q270-H274 PolarHBondContact O-CD2 2.84Å; Q270-H274 VanDerWaalsContact O-CD2 3.29Å; Q270-H274 PolarHBondContact O-N 3.07Å; G271-H274 PolarHBondContact O-N 2.92Å; H274-E277 PolarHBondContact O-N 2.95Å; H274-L278 PolarHBondContact O-N 3.43Å
275M96.6Very high92.2Very high61 Ų6177.4 Ų77.430%0.341%0.405SS..Hα-helixtrans-66-39177.6-67.7-70.290.900112.9C125 L129 G271 H272 L273 L278 Q279C125-M275 HydrophobicContact CB-CE 4.42Å; C125-M275 WeakPolarHBondContact SG-CE 3.33Å; L129-M275 HydrophobicContact CD1-CE 3.31Å; L129-M275 HydrophobicContact CD1-SD 3.95Å; L129-M275 HydrophobicContact CD2-CE 4.23Å; L129-M275 HydrophobicContact CG-CE 3.85Å; G271-M275 VanDerWaalsContact O-CG 3.31Å; G271-M275 WeakPolarHBondContact O-CG 3.35Å; G271-M275 PolarHBondContact O-N 3.27Å; G271-M275 VanDerWaalsContact O-N 3.11Å; H272-M275 PolarHBondContact O-N 2.95Å; L273-M275 VanDerWaalsContact C-N 3.34Å; L273-M275 PolarHBondContact O-N 3.42Å; M275-L278 HydrophobicContact CE-CD2 4.12Å; M275-L278 PolarHBondContact O-N 2.93Å; M275-Q279 WeakPolarHBondContact O-CG 3.41Å; M275-Q279 PolarHBondContact O-N 3.32Å; M275-Q279 VanDerWaalsContact O-N 3.07Å
276L96.3Very high90.1Very high93 Ų9378 Ų7849%0.48740%0.4SS..Hα-helixtrans-68.6-37.7178.1-171.2139000111.9H272 L273 Q279 K280H272-L276 WeakPolarHBondContact O-CB 3.44Å; H272-L276 PolarHBondContact O-N 3.43Å; L273-L276 PolarHBondContact O-N 3.35Å; L276-Q279 PolarHBondContact O-N 3.48Å; L276-K280 PolarHBondContact O-N 2.92Å
277E95.7Very high88Confident90 Ų9084 Ų8442%0.42142%0.418SS..Hα-helixtrans-62.8-44.8172.8-174.7172.4-139.100111.4R128 L273 H274 Q279 K280 E281R128-E277 IonicContact CZ-OE2 3.79Å; R128-E277 IonicContact NH1-OE2 3.26Å; R128-E277 PolarHBondContact NH1-OE2 3.31Å; R128-E277 IonicContact NH2-OE2 3.52Å; L273-E277 PolarHBondContact O-N 3.05Å; H274-E277 PolarHBondContact O-N 2.95Å; E277-Q279 PolarHBondContact O-N 3.4Å; E277-K280 WeakPolarHBondContact O-CB 3.5Å; E277-K280 PolarHBondContact O-N 3.49Å; E277-K280 VanDerWaalsContact O-N 3.12Å; E277-E281 WeakPolarHBondContact O-CG 3.45Å; E277-E281 PolarHBondContact O-N 2.96Å
278L95.2Very high85.8Confident16 Ų1689.2 Ų89.28%0.08445%0.449CS..Hα-helixtrans-59.1-44.9176.4178.663.7000112.2K121 V122 C125 H274 M275 K280 E281 L282K121-L278 HydrophobicContact CB-CD1 4.23Å; V122-L278 HydrophobicContact CG2-CD1 4.26Å; V122-L278 HydrophobicContact CG2-CD2 4.44Å; C125-L278 HydrophobicContact CB-CB 4.3Å; C125-L278 HydrophobicContact CB-CD1 4.15Å; C125-L278 HydrophobicContact CB-CD2 3.9Å; C125-L278 HydrophobicContact CB-CG 4.34Å; H274-L278 PolarHBondContact O-N 3.43Å; M275-L278 HydrophobicContact CE-CD2 4.12Å; M275-L278 PolarHBondContact O-N 2.93Å; L278-K280 PolarHBondContact O-N 3.03Å; L278-E281 PolarHBondContact O-N 3.44Å; L278-L282 HydrophobicContact CD1-CD1 4.04Å; L278-L282 HydrophobicContact CD1-CD2 4.4Å; L278-L282 HydrophobicContact CD1-CG 3.99Å; L278-L282 HydrophobicContact CG-CD1 3.99Å; L278-L282 HydrophobicContact CG-CG 4.31Å; L278-L282 WeakPolarHBondContact O-CB 2.92Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.17Å
279Q94.6Very high83.8Confident141 Ų14186.1 Ų86.166%0.65945%0.446SS*.Hα-helixtrans-57.6-39.4176.5-73.5178.9-1.300112M275 L276 E277 G283M275-Q279 WeakPolarHBondContact O-CG 3.41Å; M275-Q279 PolarHBondContact O-N 3.32Å; M275-Q279 VanDerWaalsContact O-N 3.07Å; L276-Q279 PolarHBondContact O-N 3.48Å; E277-Q279 PolarHBondContact O-N 3.4Å; Q279-G283 PolarHBondContact O-N 3.37Å
280K93.1Very high81.7Confident163 Ų16382.6 Ų82.671%0.70943%0.434SS*.Hα-helixtrans-68.1-44.9176.3-174.7-174.5176.7-171.80111.9L276 E277 L278 L282 G283 S284L276-K280 PolarHBondContact O-N 2.92Å; E277-K280 WeakPolarHBondContact O-CB 3.5Å; E277-K280 PolarHBondContact O-N 3.49Å; E277-K280 VanDerWaalsContact O-N 3.12Å; L278-K280 PolarHBondContact O-N 3.03Å; K280-L282 VanDerWaalsContact C-N 3.31Å; K280-L282 PolarHBondContact O-N 2.98Å; K280-G283 PolarHBondContact O-N 3.45Å; K280-S284 WeakPolarHBondContact O-CB 3.47Å; K280-S284 PolarHBondContact O-N 3.03Å; K280-S284 PolarHBondContact O-OG 2.92Å
281E91.1Very high79.2Confident58 Ų5884.3 Ų84.327%0.27145%0.451SS..Hα-helixtrans-62.6-38.1178.7-72.8178.5-169.800112.2K121 E277 L278 S284 S285K121-E281 HydrophobicContact CD-CB 4.37Å; K121-E281 PolarHBondContact NZ-O 2.89Å; K121-E281 VanDerWaalsContact NZ-O 3.17Å; E277-E281 WeakPolarHBondContact O-CG 3.45Å; E277-E281 PolarHBondContact O-N 2.96Å; L278-E281 PolarHBondContact O-N 3.44Å; E281-S284 PolarHBondContact O-OG 2.91Å; E281-S285 PolarHBondContact O-OG 2.66Å
282L89.1Confident76.9Confident51 Ų5191.1 Ų91.127%0.26748%0.484SS..Hα-helixtrans-70.6-47.1175.6-65.2179.6000111.2T118 K121 V122 L278 K280 S284 S285T118-L282 HydrophobicContact CG2-CD2 3.82Å; K121-L282 HydrophobicContact CB-CD2 4.43Å; K121-L282 HydrophobicContact CD-CD2 4.24Å; V122-L282 HydrophobicContact CG2-CD1 4.44Å; L278-L282 HydrophobicContact CD1-CD1 4.04Å; L278-L282 HydrophobicContact CD1-CD2 4.4Å; L278-L282 HydrophobicContact CD1-CG 3.99Å; L278-L282 HydrophobicContact CG-CD1 3.99Å; L278-L282 HydrophobicContact CG-CG 4.31Å; L278-L282 WeakPolarHBondContact O-CB 2.92Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.17Å; K280-L282 VanDerWaalsContact C-N 3.31Å; K280-L282 PolarHBondContact O-N 2.98Å; L282-S284 VanDerWaalsContact C-N 3.29Å; L282-S284 PolarHBondContact O-N 3.29Å; L282-S285 VanDerWaalsContact O-CB 3.3Å; L282-S285 WeakPolarHBondContact O-CB 3.18Å; L282-S285 PolarHBondContact O-N 2.95Å; L282-S285 PolarHBondContact O-OG 3.45Å
283G81.9Confident74.6Confident42 Ų4289.5 Ų89.543%0.43349%0.492SS..Hα-helixtrans-63.7-29.4178.200000114.4Q279 K280 S285 D286Q279-G283 PolarHBondContact O-N 3.37Å; K280-G283 PolarHBondContact O-N 3.45Å; G283-S285 PolarHBondContact O-N 3.47Å; G283-D286 PolarHBondContact O-N 2.91Å
284S71.3Confident72.3Confident85 Ų8591.8 Ų91.859%0.59450%0.498SS*.THydrogen-bonded Turntrans-72.8-14.9172.666.90000114.2K280 E281 L282K280-S284 WeakPolarHBondContact O-CB 3.47Å; K280-S284 PolarHBondContact O-N 3.03Å; K280-S284 PolarHBondContact O-OG 2.92Å; E281-S284 PolarHBondContact O-OG 2.91Å; L282-S284 VanDerWaalsContact C-N 3.29Å; L282-S284 PolarHBondContact O-N 3.29Å
285S57.9Low69.9Low36 Ų3693.9 Ų93.925%0.25252%0.521SS..THydrogen-bonded Turntrans-89.4-14.6179.1-42.40000112.6K121 E281 L282 G283K121-S285 PolarHBondContact NZ-OG 3.27Å; E281-S285 PolarHBondContact O-OG 2.66Å; L282-S285 VanDerWaalsContact O-CB 3.3Å; L282-S285 WeakPolarHBondContact O-CB 3.18Å; L282-S285 PolarHBondContact O-N 2.95Å; L282-S285 PolarHBondContact O-OG 3.45Å; G283-S285 PolarHBondContact O-N 3.47Å
286D52.3Low67.6Low70 Ų7098.7 Ų98.737%0.37455%0.546SS..Hα-helixtrans-78.8-25.6-172.2-105.6-47.4000113.5G283 D288 L290G283-D286 PolarHBondContact O-N 2.91Å; D286-D288 VanDerWaalsContact C-N 3.3Å; D286-D288 PolarHBondContact O-N 3.32Å; D286-L290 WeakPolarHBondContact OD1-CB 3.49Å; D286-L290 WeakPolarHBondContact OD1-CD1 3.43Å
287E53.3Low65.1Low184 Ų184101.6 Ų101.686%0.8656%0.563SS**Hα-helixtrans-67.6-25.4-175.3-87.8-170.2134.300114
288D52.2Low62.7Low160 Ų160103.1 Ų103.186%0.85658%0.583SS**Hα-helixtrans-114.4-10.5-174.3-81.2-30.7000115D286D286-D288 VanDerWaalsContact C-N 3.3Å; D286-D288 PolarHBondContact O-N 3.32Å
289V55.2Low60.1Low86 Ų86107.6 Ų107.652%0.52161%0.611SS.*Hα-helixtrans-130.6-23.1-162.5-171.60000115.8P114P114-V289 HydrophobicContact CB-CG1 3.76Å; P114-V289 HydrophobicContact CG-CG1 4.37Å
290L52.8Low57.5Low72 Ų72109.8 Ų109.838%0.37762%0.621SS.*  trans-107120-174.9-83152.1000111.5D286 F294D286-L290 WeakPolarHBondContact OD1-CB 3.49Å; D286-L290 WeakPolarHBondContact OD1-CD1 3.43Å; L290-F294 HydrophobicContact CD2-CD2 3.58Å; L290-F294 HydrophobicContact CD2-CE2 3.99Å; L290-F294 HydrophobicContact CD2-CG 4.42Å
291P45.6Very low54.7Low102 Ų102107.5 Ų107.566%0.66263%0.626SS**  trans-58.1143.6166.3-15.427.8000108.6A293P291-A293 PolarHBondContact O-N 3.03Å
292N49.1Very low52.3Low157 Ų157111.8 Ų111.884%0.8466%0.656SS**THydrogen-bonded Turntrans-46.813.4-176.9-135.17.6000118.3
293A48.1Very low49.7Very low88 Ų88113.3 Ų113.373%0.72768%0.676SS**THydrogen-bonded Turntrans-85.7-13.3179.700000114.4P291P291-A293 PolarHBondContact O-N 3.03Å
294F49.7Very low47.5Very low143 Ų143116.4 Ų116.463%0.62770%0.697SS**  trans-11211.5-179.5-66.5-78.6000114.5L290 L296L290-F294 HydrophobicContact CD2-CD2 3.58Å; L290-F294 HydrophobicContact CD2-CE2 3.99Å; L290-F294 HydrophobicContact CD2-CG 4.42Å; F294-L296 PolarHBondContact O-N 3.45Å
295A47.3Very low45.6Very low74 Ų74117.2 Ų117.261%0.61271%0.709SS**  trans-64.182.7168.500000109.2N297A295-N297 PolarHBondContact O-N 3.12Å
296L47.9Very low44.5Very low161 Ų161120.7 Ų120.784%0.84374%0.739SS**  trans-56.8125.5170.9-79.9159.2000107.2F294 S298F294-L296 PolarHBondContact O-N 3.45Å; L296-S298 VanDerWaalsContact C-N 3.28Å; L296-S298 PolarHBondContact O-N 3.37Å
297N44Very low43.4Very low155 Ų155121 Ų12183%0.82976%0.759SS**  trans-49.188.9174-88.5-22000111A295 T299A295-N297 PolarHBondContact O-N 3.12Å; N297-T299 PolarHBondContact O-N 3.38Å; N297-T299 VanDerWaalsContact O-N 3.11Å
298S44.7Very low42.3Very low122 Ų122117.2 Ų117.285%0.85376%0.759SS**  trans-88.168.3171.3-147.30000108.3L296L296-S298 VanDerWaalsContact C-N 3.28Å; L296-S298 PolarHBondContact O-N 3.37Å
299T42.1Very low41.2Very low110 Ų110115.3 Ų115.368%0.67576%0.759SS**  trans-128.151.4167.7480000110.6N297N297-T299 PolarHBondContact O-N 3.38Å; N297-T299 VanDerWaalsContact O-N 3.11Å
300H38.4Very low40Very low187 Ų187120.5 Ų120.587%0.86678%0.777SS**  trans-127.871.5151.8-82.8-63.7000108.9V302H300-V302 PolarHBondContact O-N 3.47Å
301S35.4Very low38.8Very low115 Ų115121.3 Ų121.380%0.80479%0.794SS**  trans-70.8105.6160.8-152.90000107.1A303S301-A303 PolarHBondContact O-N 3.39Å
302V39.9Very low37.9Very low148 Ų148122.9 Ų122.990%0.89780%0.802SS**  trans-68.485163.5-88.80000108H300H300-V302 PolarHBondContact O-N 3.47Å
303A34.2Very low36.8Very low83 Ų83123.9 Ų123.969%0.68680%0.802SS**  trans-96.6113164.300000108.3S301S301-A303 PolarHBondContact O-N 3.39Å
304A36.7Very low35.8Very low107 Ų107124.9 Ų124.988%0.88480%0.803SS**  trans-56.9137.3170.200000111.3
305A31.7Very low35.1Very low101 Ų101123.5 Ų123.584%0.83581%0.809SS**  trans-138.5113.316100000109.4
306A34Very low34.1Very low109 Ų109125.6 Ų125.690%0.90181%0.813SS**  trans-77.3143163.400000109.8
307G29.1Very low33.2Very low77 Ų77126 Ų12679%0.79481%0.811SS**  trans124.7108150.500000118.4
308A30.9Very low32.3Very low104 Ų104124.8 Ų124.886%0.8681%0.809SS**  trans81.8107.6141.100000122.3
309S28.4Very low31.4Very low120 Ų120126.6 Ų126.684%0.83981%0.805SS**  32.7124129.6-88.10000121.8
310E29.8Very low30.7Very low196 Ų196128.1 Ų128.192%0.91681%0.814SS**  -174.215597.5-110.8178.5171.400111.5
311A28.5Very low30.2Very low88 Ų88126.8 Ų126.873%0.72781%0.812SS**  trans-95.3145.8-171.900000112.9
312T25.8Very low29.8Very low135 Ų135130.6 Ų130.683%0.82881%0.814SS**  -171.2125.3129.9-20000113.7
313E27.1Very low29.3Very low179 Ų179131.6 Ų131.684%0.83681%0.813SS**  trans35.2121.9146.3-66.4178.9162.300124.9
314S26.3Very low28.9Very low108 Ų108136.2 Ų136.276%0.75582%0.82SS**  trans-11.9171.8145.558.30000121.4
315P35.8Very low28.5Very low114 Ų114139.9 Ų139.974%0.7482%0.819SS**  cis-138.2175.314.433-9.9000116.4
316V26.3Very low28.3Very low118 Ų118141.8 Ų141.872%0.71582%0.82SS**  trans147.2117.9135.7171.80000112.2
317E27.3Very low28Very low170 Ų170145.4 Ų145.479%0.79482%0.818SS**  trans29.9121.8146.9-57.9174.3169.200120.7
318T25Very low28Very low129 Ų129146.1 Ų146.179%0.79182%0.817SS**  -170.4123.1123.59.80000112.6
319E27.4Very low28.1Very low161 Ų161147.2 Ų147.275%0.75282%0.815SS**  trans47107.7139-64.9-178.7157.300120.6L321E319-L321 PolarHBondContact O-N 3.5Å
320T27.1Very low28.4Very low141 Ų141145.6 Ų145.687%0.86581%0.809SS**  trans-56109.2153.746.20000111.1
321L27.8Very low29Very low159 Ų159142.3 Ų142.383%0.83280%0.802SS**  trans-98118164.3-72.8173.2000110.2E319E319-L321 PolarHBondContact O-N 3.5Å
322K26Very low30.4Very low195 Ų195140.2 Ų140.285%0.84879%0.789SS**  trans-60.8135.8174.1-66.7164.6175.7172.90109.1E324K322-E324 PolarHBondContact O-N 2.88Å; K322-E324 VanDerWaalsContact O-N 3.1Å
323I29.9Very low32.6Very low169 Ų169138.5 Ų138.587%0.86778%0.779SS**  trans-65.6109.9166.5-63.8169.8000106.5E325I323-E325 PolarHBondContact O-N 3.14Å
324E26.2Very low35.3Very low180 Ų180137.4 Ų137.484%0.84177%0.767SS**  trans-63.3113.3166.4-87.7178.6141.100108.6K322 V326K322-E324 PolarHBondContact O-N 2.88Å; K322-E324 VanDerWaalsContact O-N 3.1Å; E324-V326 PolarHBondContact O-N 2.89Å
325E28.4Very low38.2Very low185 Ų185139.4 Ų139.486%0.86476%0.762SS**  trans-64.5110.6168.1-163.3174.3-161.200107.9I323 Q327I323-E325 PolarHBondContact O-N 3.14Å; E325-Q327 PolarHBondContact O-N 3.36Å
326V27.8Very low40.7Very low141 Ų141134 Ų13486%0.85573%0.727SS**  trans-68.5100.1175.3175.90000108.2E324E324-V326 PolarHBondContact O-N 2.89Å
327Q27.8Very low43.6Very low184 Ų184131.4 Ų131.486%0.8671%0.706SS**PPolyproline II helixtrans-73123.3167.9-128177.410.100109.5E325E325-Q327 PolarHBondContact O-N 3.36Å
328A28.4Very low46.6Very low93 Ų93123.3 Ų123.377%0.76967%0.668SS**PPolyproline II helixtrans-96.6126.3162.900000109.1
329P33.4Very low49.4Very low126 Ų126120.5 Ų120.582%0.81865%0.648SS**PPolyproline II helixtrans-89.1137.6-174.830.8-30.1000114.7
330A35.4Very low51.9Low87 Ų87119.9 Ų119.972%0.71964%0.64SS**  trans64.7119.2144.700000120
331T41.7Very low54.8Low126 Ų126118.1 Ų118.177%0.77363%0.625SS**SBend-152.9118.976.810.30000112.6
332G57.1Low57.5Low44 Ų44112.3 Ų112.345%0.45459%0.593SS.*  trans94.512.6158.300000119.1R334G332-R334 PolarHBondContact O-N 3.3Å
333T72.8Confident60.4Low99 Ų99109.8 Ų109.861%0.60759%0.588SS**  trans-68.4124.6175.448.80000111.9T359 V360 Y361T333-T359 HydrophobicContact CG2-CG2 4.38Å; T333-V360 CarbonylContact C-O 3.43Å; T333-V360 VanDerWaalsContact CA-O 3.29Å; T333-V360 WeakPolarHBondContact CA-O 3.44Å; T333-Y361 HydrophobicContact CG2-CD1 4.19Å; T333-Y361 HydrophobicContact CG2-CG 4.31Å
334R83.1Confident63.2Low157 Ų157103.3 Ų103.359%0.59256%0.56SS**EExtended strand (participates in β ladder)trans-124.9144.8177.1-61.6-179.7-175.5172.92.3109.9G332 T359 V360 L389G332-R334 PolarHBondContact O-N 3.3Å; R334-T359 WeakPolarHBondContact O-CA 3.41Å; R334-V360 HydrophobicContact CB-CG2 4.3Å; R334-V360 PolarHBondContact N-O 2.88Å; R334-V360 WeakPolarHBondContact O-CG2 3.46Å; R334-V360 PolarHBondContact O-N 3.44Å; R334-L389 VanDerWaalsContact NH1-CD2 3.28Å
335K86.9Confident65.5Low149 Ų14998.8 Ų98.865%0.64855%0.553SS**EExtended strand (participates in β ladder)trans-86.6133.1168.5-70.6-173.7178.7-177.80108.8L390K335-L390 PolarHBondContact O-N 3.14Å
336V88.3Confident67.9Low0 Ų094 Ų940%053%0.534CS..EExtended strand (participates in β ladder)trans-130.4151.8-178.9-63.60000109.8L357 I358 V360 L387 E388 L389V336-L357 WeakPolarHBondContact O-CA 3.49Å; V336-I358 HydrophobicContact CG2-CD1 4.13Å; V336-I358 HydrophobicContact CG2-CG1 3.47Å; V336-I358 VanDerWaalsContact CG2-CG1 3.47Å; V336-I358 PolarHBondContact N-O 2.97Å; V336-I358 PolarHBondContact O-N 3.13Å; V336-V360 HydrophobicContact CB-CG2 4.35Å; V336-V360 HydrophobicContact CG1-CG2 3.49Å; V336-V360 VanDerWaalsContact CG1-CG2 3.49Å; V336-V360 HydrophobicContact CG2-CB 4.37Å; V336-V360 HydrophobicContact CG2-CG1 3.61Å; V336-V360 HydrophobicContact CG2-CG2 3.85Å; V336-L387 HydrophobicContact CB-CB 4.23Å; V336-L387 HydrophobicContact CG2-CB 4.29Å; V336-L387 HydrophobicContact CG2-CD1 4.13Å; V336-L387 HydrophobicContact CG2-CD2 3.86Å; V336-L387 HydrophobicContact CG2-CG 4.31Å; V336-E388 CarbonylContact C-O 3.57Å; V336-E388 VanDerWaalsContact CA-O 3.27Å; V336-E388 WeakPolarHBondContact CA-O 3.32Å; V336-E388 WeakPolarHBondContact CB-O 3.44Å; V336-L389 HydrophobicContact CG1-CD1 4.38Å; V336-L389 HydrophobicContact CG1-CG 4.05Å
337K88.4Confident70.4Confident65 Ų6593.6 Ų93.628%0.28354%0.537SS..EExtended strand (participates in β ladder)trans-99.6132.2170.6-169-178.9175.3-163.10109.1D355 E356 L357 E388 L390K337-D355 WeakPolarHBondContact CE-OD1 3.28Å; K337-D355 IonicContact NZ-OD1 3.11Å; K337-D355 PolarHBondContact NZ-OD1 2.99Å; K337-E356 CarbonylContact C-O 3.38Å; K337-E356 WeakPolarHBondContact CA-O 3.4Å; K337-L357 HydrophobicContact CB-CD2 4.04Å; K337-L357 HydrophobicContact CG-CD2 4.29Å; K337-E388 HydrophobicContact CB-CB 4.49Å; K337-E388 PolarHBondContact N-O 3.21Å; K337-E388 PolarHBondContact O-N 3.4Å; K337-L390 HydrophobicContact CB-CD1 4.14Å; K337-L390 HydrophobicContact CB-CD2 4.27Å; K337-L390 HydrophobicContact CB-CG 4.17Å
338V89.1Confident73Confident0 Ų087.1 Ų87.10%051%0.512CS..EExtended strand (participates in β ladder)trans-76128.2176.5-179.90000109.2Y340 L352 L353 D355 E356 I358 L387V338-Y340 WeakPolarHBondContact CG1-O 3.28Å; V338-L352 HydrophobicContact CG1-CB 3.75Å; V338-L352 HydrophobicContact CG1-CD1 4.17Å; V338-L352 HydrophobicContact CG2-CB 4.15Å; V338-L352 HydrophobicContact CG2-CD1 4.08Å; V338-L352 HydrophobicContact CG2-CD2 4.29Å; V338-L352 HydrophobicContact CG2-CG 4.42Å; V338-L353 VanDerWaalsContact CB-O 3.29Å; V338-L353 WeakPolarHBondContact CB-O 3.32Å; V338-L353 VanDerWaalsContact CG1-O 3.28Å; V338-L353 WeakPolarHBondContact CG1-O 3.5Å; V338-D355 PolarHBondContact O-N 3.13Å; V338-E356 HydrophobicContact CB-CB 4.44Å; V338-E356 HydrophobicContact CG2-CB 4.24Å; V338-E356 WeakPolarHBondContact CG2-O 3.48Å; V338-E356 PolarHBondContact N-O 3.38Å; V338-I358 HydrophobicContact CG2-CD1 4.08Å; V338-I358 HydrophobicContact CG2-CG1 4.25Å; V338-I358 HydrophobicContact CG2-CG2 4.43Å; V338-L387 HydrophobicContact CG2-CD2 4.07Å
339L83.6Confident75.9Confident69 Ų6984.3 Ų84.336%0.36148%0.483SS..  trans-86.4-34.1-178-71.9170.7000113.2Y386 E388L339-Y386 PolarHBondContact N-O 2.99Å; L339-E388 HydrophobicContact CD1-CB 4.12Å; L339-E388 HydrophobicContact CD2-CB 3.91Å; L339-E388 HydrophobicContact CG-CB 3.92Å
340Y80.6Confident78.5Confident148 Ų14878.6 Ų78.658%0.5845%0.446SS*.SBendtrans-142.8153.9-176.2-53.5-76.4000110.9V338 Y386V338-Y340 WeakPolarHBondContact CG1-O 3.28Å; Y340-Y386 HydrophobicContact CD2-CD1 4.39Å
341D87.4Confident81Confident105 Ų10577.2 Ų77.256%0.56143%0.431SS*.  trans-59.9137.2171-62-25.1000110.1L352 L353 A354D341-L352 WeakPolarHBondContact CA-O 3.34Å; D341-L353 WeakPolarHBondContact OD1-CA 3.37Å; D341-A354 WeakPolarHBondContact OD1-CB 3.36Å; D341-A354 PolarHBondContact OD1-N 3.04Å
342Y86.1Confident83.2Confident37 Ų3771.4 Ų71.415%0.14540%0.395CS..BIsolated β-bridgetrans-135.3120.5177.2-178.6-99.9000109.7E349 S351 L352 P383 Y386Y342-E349 HydrophobicContact CE1-CB 4.5Å; Y342-E349 VanDerWaalsContact OH-CD 3.3Å; Y342-E349 PolarHBondContact OH-OE2 3.21Å; Y342-S351 CarbonylContact O-C 3.56Å; Y342-S351 WeakPolarHBondContact O-CA 3.45Å; Y342-S351 WeakPolarHBondContact O-CB 3.46Å; Y342-L352 PolarHBondContact N-O 2.91Å; Y342-L352 PolarHBondContact O-N 3.41Å; Y342-P383 HydrophobicContact CD2-CG 3.97Å; Y342-P383 HydrophobicContact CE1-CG 4.48Å; Y342-P383 HydrophobicContact CE2-CG 3.85Å; Y342-P383 HydrophobicContact CG-CG 4.33Å; Y342-Y386 HydrophobicContact CD2-CD1 4.32Å; Y342-Y386 HydrophobicContact CD2-CE1 4.17Å
343D86.8Confident84.6Confident142 Ų14274.1 Ų74.176%0.75940%0.398SS*.  trans-91.8129.1173.5-72.8-36.6000109.9A345D343-A345 PolarHBondContact O-N 2.93Å
344A87.3Confident85.2Confident32 Ų3271.3 Ų71.326%0.26439%0.385SS..  trans-66.7127.9-179.400000110.6E349 S351A344-E349 HydrophobicContact CB-CB 3.74Å; A344-S351 VanDerWaalsContact CB-OG 3.25Å; A344-S351 WeakPolarHBondContact CB-OG 3.33Å; A344-S351 PolarHBondContact N-OG 3.4Å; A344-S351 VanDerWaalsContact N-OG 3.11Å
345A75.4Confident85.1Confident85 Ų8569.3 Ų69.370%0.70239%0.386SS*.SBendtrans-75.9-27.3179.700000112.5D343 E349D343-A345 PolarHBondContact O-N 2.93Å; A345-E349 WeakPolarHBondContact CB-OE2 3.33Å; A345-E349 PolarHBondContact N-OE2 3.49Å
346D79.3Confident85.1Confident85 Ų8564.4 Ų64.446%0.45537%0.366SS..SBendtrans-147.9179.6177.973.515.4000112.7S348 E349D346-S348 PolarHBondContact O-N 3.11Å; D346-S348 VanDerWaalsContact O-N 3.16Å; D346-S348 WeakPolarHBondContact OD1-CA 3.47Å; D346-S348 VanDerWaalsContact OD1-CB 3.27Å; D346-S348 WeakPolarHBondContact OD1-CB 3.46Å; D346-S348 PolarHBondContact OD1-N 3.24Å; D346-S348 PolarHBondContact OD1-OG 3.45Å; D346-S348 PolarHBondContact OD2-OG 3.04Å; D346-E349 PolarHBondContact O-N 2.79Å; D346-E349 PolarHBondContact OD1-N 2.99Å
347S79.9Confident85.1Confident133 Ų13370 Ų7093%0.9340%0.395SS*.THydrogen-bonded Turntrans-71.7-1.5-179.659.80000114.7
348S82.3Confident85Confident47 Ų4767.1 Ų67.133%0.32938%0.382SS..THydrogen-bonded Turntrans-97-13.9176.3820000112.7D346 G380 K381D346-S348 PolarHBondContact O-N 3.11Å; D346-S348 VanDerWaalsContact O-N 3.16Å; D346-S348 WeakPolarHBondContact OD1-CA 3.47Å; D346-S348 VanDerWaalsContact OD1-CB 3.27Å; D346-S348 WeakPolarHBondContact OD1-CB 3.46Å; D346-S348 PolarHBondContact OD1-N 3.24Å; D346-S348 PolarHBondContact OD1-OG 3.45Å; D346-S348 PolarHBondContact OD2-OG 3.04Å; S348-G380 WeakPolarHBondContact O-CA 3.34Å; S348-K381 PolarHBondContact O-N 3.16Å
349E88.9Confident85Confident35 Ų3569.3 Ų69.316%0.16440%0.396CS..BIsolated β-bridgetrans-99.1157.2177.7-66.9178.7-169.600112.1Y342 A344 A345 D346 W370 K381Y342-E349 HydrophobicContact CE1-CB 4.5Å; Y342-E349 VanDerWaalsContact OH-CD 3.3Å; Y342-E349 PolarHBondContact OH-OE2 3.21Å; A344-E349 HydrophobicContact CB-CB 3.74Å; A345-E349 WeakPolarHBondContact CB-OE2 3.33Å; A345-E349 PolarHBondContact N-OE2 3.49Å; D346-E349 PolarHBondContact O-N 2.79Å; D346-E349 PolarHBondContact OD1-N 2.99Å; E349-W370 HydrophobicContact CG-CH2 4.28Å; E349-W370 HydrophobicContact CG-CZ3 4.02Å; E349-W370 WeakPolarHBondContact OE1-CH2 3.03Å; E349-K381 WeakPolarHBondContact CA-O 3.42Å; E349-K381 HydrophobicContact CG-CB 4.28Å
350L87.3Confident85.3Confident6 Ų666.1 Ų66.13%0.03138%0.38CS..  trans-112.1128.7178.5-176.868.4000110.2L352 K375 Q378 K381 V382L350-L352 HydrophobicContact CD2-CD2 4.13Å; L350-L352 HydrophobicContact CG-CD2 4.23Å; L350-K375 HydrophobicContact CD2-CB 4.02Å; L350-Q378 HydrophobicContact CD1-CB 3.74Å; L350-K381 PolarHBondContact N-O 3Å; L350-V382 HydrophobicContact CB-CG1 3.85Å; L350-V382 HydrophobicContact CD2-CG1 4.32Å
351S88.5Confident85.5Confident58 Ų5861.9 Ų61.941%0.40636%0.363SS..  trans-76.9134.4175.4-47.30000111Y342 A344Y342-S351 CarbonylContact O-C 3.56Å; Y342-S351 WeakPolarHBondContact O-CA 3.45Å; Y342-S351 WeakPolarHBondContact O-CB 3.46Å; A344-S351 VanDerWaalsContact CB-OG 3.25Å; A344-S351 WeakPolarHBondContact CB-OG 3.33Å; A344-S351 PolarHBondContact N-OG 3.4Å; A344-S351 VanDerWaalsContact N-OG 3.11Å
352L87.8Confident85.2Confident4 Ų461.3 Ų61.32%0.02136%0.363CS..BIsolated β-bridgetrans-120.3147-173.7-54.4179.3000110.9V338 D341 Y342 L350 I358 V382 L387V338-L352 HydrophobicContact CG1-CB 3.75Å; V338-L352 HydrophobicContact CG1-CD1 4.17Å; V338-L352 HydrophobicContact CG2-CB 4.15Å; V338-L352 HydrophobicContact CG2-CD1 4.08Å; V338-L352 HydrophobicContact CG2-CD2 4.29Å; V338-L352 HydrophobicContact CG2-CG 4.42Å; D341-L352 WeakPolarHBondContact CA-O 3.34Å; Y342-L352 PolarHBondContact N-O 2.91Å; Y342-L352 PolarHBondContact O-N 3.41Å; L350-L352 HydrophobicContact CD2-CD2 4.13Å; L350-L352 HydrophobicContact CG-CD2 4.23Å; L352-I358 HydrophobicContact CD1-CD1 4.33Å; L352-I358 HydrophobicContact CD2-CD1 3.7Å; L352-V382 HydrophobicContact CD1-CB 4.03Å; L352-V382 HydrophobicContact CD1-CG1 3.79Å; L352-V382 HydrophobicContact CD2-CG1 3.89Å; L352-V382 HydrophobicContact CG-CG1 4.05Å; L352-L387 HydrophobicContact CD1-CD2 4.05Å
353L85.9Confident84.8Confident101 Ų10162.6 Ų62.653%0.52938%0.375SS..  trans-110.8141.2169.7-66.6169.2000109.3V338 D341 E356V338-L353 VanDerWaalsContact CB-O 3.29Å; V338-L353 WeakPolarHBondContact CB-O 3.32Å; V338-L353 VanDerWaalsContact CG1-O 3.28Å; V338-L353 WeakPolarHBondContact CG1-O 3.5Å; D341-L353 WeakPolarHBondContact OD1-CA 3.37Å; L353-E356 WeakPolarHBondContact O-CB 3.45Å; L353-E356 PolarHBondContact O-N 3.39Å
354A85.8Confident83.9Confident40 Ų4062 Ų6233%0.33138%0.379SS..THydrogen-bonded Turntrans-56.4146.1176.200000111D341 E356D341-A354 WeakPolarHBondContact OD1-CB 3.36Å; D341-A354 PolarHBondContact OD1-N 3.04Å; A354-E356 PolarHBondContact O-N 2.75Å
355D82.6Confident83Confident114 Ų11464.9 Ų64.961%0.6141%0.411SS*.THydrogen-bonded Turntrans65.66.6-175.2-67.1-44000116.3K337 V338K337-D355 WeakPolarHBondContact CE-OD1 3.28Å; K337-D355 IonicContact NZ-OD1 3.11Å; K337-D355 PolarHBondContact NZ-OD1 2.99Å; V338-D355 PolarHBondContact O-N 3.13Å
356E86.9Confident82.9Confident47 Ų4763.2 Ų63.222%0.2239%0.389CS..  trans-78.7145.7176.5-169.8166.4-155.600113K337 V338 L353 A354 I358 K375K337-E356 CarbonylContact C-O 3.38Å; K337-E356 WeakPolarHBondContact CA-O 3.4Å; V338-E356 HydrophobicContact CB-CB 4.44Å; V338-E356 HydrophobicContact CG2-CB 4.24Å; V338-E356 WeakPolarHBondContact CG2-O 3.48Å; V338-E356 PolarHBondContact N-O 3.38Å; L353-E356 WeakPolarHBondContact O-CB 3.45Å; L353-E356 PolarHBondContact O-N 3.39Å; A354-E356 PolarHBondContact O-N 2.75Å; E356-I358 HydrophobicContact CG-CG2 4.14Å; E356-K375 WeakPolarHBondContact OE1-CD 3.48Å; E356-K375 WeakPolarHBondContact OE1-CE 3.34Å; E356-K375 IonicContact OE1-NZ 2.66Å; E356-K375 PolarHBondContact OE1-NZ 3.49Å; E356-K375 WeakPolarHBondContact OE2-CE 3.33Å; E356-K375 IonicContact OE2-NZ 3.07Å; E356-K375 PolarHBondContact OE2-NZ 3.29Å
357L87.2Confident82.8Confident117 Ų11764.9 Ų64.961%0.61340%0.398SS*.EExtended strand (participates in β ladder)trans-100.9119.2175.4-70.3172.5000110.8V336 K337 L390V336-L357 WeakPolarHBondContact O-CA 3.49Å; K337-L357 HydrophobicContact CB-CD2 4.04Å; K337-L357 HydrophobicContact CG-CD2 4.29Å; L357-L390 HydrophobicContact CD2-CD1 3.29Å
358I87.3Confident82.5Confident4 Ų463.7 Ų63.72%0.02139%0.39CS..EExtended strand (participates in β ladder)trans-127.1158.8179.867.1172.9000110.9V336 V338 L352 E356 V360 K375 L387V336-I358 HydrophobicContact CG2-CD1 4.13Å; V336-I358 HydrophobicContact CG2-CG1 3.47Å; V336-I358 VanDerWaalsContact CG2-CG1 3.47Å; V336-I358 PolarHBondContact N-O 2.97Å; V336-I358 PolarHBondContact O-N 3.13Å; V338-I358 HydrophobicContact CG2-CD1 4.08Å; V338-I358 HydrophobicContact CG2-CG1 4.25Å; V338-I358 HydrophobicContact CG2-CG2 4.43Å; L352-I358 HydrophobicContact CD1-CD1 4.33Å; L352-I358 HydrophobicContact CD2-CD1 3.7Å; E356-I358 HydrophobicContact CG-CG2 4.14Å; I358-V360 HydrophobicContact CD1-CG1 4.01Å; I358-V360 HydrophobicContact CG1-CG1 4.16Å; I358-K375 HydrophobicContact CG2-CB 4.2Å; I358-L387 HydrophobicContact CD1-CD2 3.9Å
359T89.1Confident82.5Confident46 Ų4666.6 Ų66.628%0.28240%0.402SS..EExtended strand (participates in β ladder)trans-99132.3173.5-550000109T333 R334 G373 E374T333-T359 HydrophobicContact CG2-CG2 4.38Å; R334-T359 WeakPolarHBondContact O-CA 3.41Å; T359-G373 CarbonylContact O-C 3.53Å; T359-G373 WeakPolarHBondContact O-CA 3.47Å; T359-E374 PolarHBondContact N-O 2.91Å; T359-E374 PolarHBondContact O-N 2.88Å
360V89.6Confident82.2Confident3 Ų368 Ų682%0.01841%0.406CS..EExtended strand (participates in β ladder)trans-125.6147.6-179.3-64.90000112.5T333 R334 V336 I358 L371 I372 V382 L387T333-V360 CarbonylContact C-O 3.43Å; T333-V360 VanDerWaalsContact CA-O 3.29Å; T333-V360 WeakPolarHBondContact CA-O 3.44Å; R334-V360 HydrophobicContact CB-CG2 4.3Å; R334-V360 PolarHBondContact N-O 2.88Å; R334-V360 WeakPolarHBondContact O-CG2 3.46Å; R334-V360 PolarHBondContact O-N 3.44Å; V336-V360 HydrophobicContact CB-CG2 4.35Å; V336-V360 HydrophobicContact CG1-CG2 3.49Å; V336-V360 VanDerWaalsContact CG1-CG2 3.49Å; V336-V360 HydrophobicContact CG2-CB 4.37Å; V336-V360 HydrophobicContact CG2-CG1 3.61Å; V336-V360 HydrophobicContact CG2-CG2 3.85Å; I358-V360 HydrophobicContact CD1-CG1 4.01Å; I358-V360 HydrophobicContact CG1-CG1 4.16Å; V360-L371 HydrophobicContact CB-CB 4.1Å; V360-L371 HydrophobicContact CB-CD1 4.09Å; V360-L371 HydrophobicContact CG1-CB 4.45Å; V360-L371 HydrophobicContact CG2-CD1 3.84Å; V360-I372 CarbonylContact C-O 3.52Å; V360-I372 WeakPolarHBondContact CA-O 3.41Å; V360-V382 HydrophobicContact CG1-CG2 4.01Å; V360-L387 HydrophobicContact CG1-CD1 3.99Å
361Y85.2Confident82.2Confident59 Ų5969 Ų6923%0.23141%0.411CS..EExtended strand (participates in β ladder)trans-146.6159.3173.159.6-86.4000112.6T333 V363 I372T333-Y361 HydrophobicContact CG2-CD1 4.19Å; T333-Y361 HydrophobicContact CG2-CG 4.31Å; Y361-V363 HydrophobicContact CD2-CG2 4.02Å; Y361-V363 HydrophobicContact CE2-CG2 3.73Å; Y361-I372 HydrophobicContact CD2-CB 4.42Å; Y361-I372 HydrophobicContact CE1-CB 4.27Å; Y361-I372 HydrophobicContact CE1-CG2 3.86Å; Y361-I372 HydrophobicContact CE2-CB 4.07Å; Y361-I372 HydrophobicContact CE2-CG2 4.14Å; Y361-I372 PolarHBondContact N-O 3.35Å; Y361-I372 PolarHBondContact O-N 3.49Å
362T80.1Confident82.2Confident93 Ų9367.4 Ų67.457%0.57140%0.398SS*.  trans-92139177.551.30000111L371T362-L371 HydrophobicContact CG2-CD2 3.4Å; T362-L371 VanDerWaalsContact CG2-CD2 3.4Å
363V78.3Confident82.2Confident63 Ų6367.2 Ų67.238%0.38240%0.397SS..  trans-112.1138.2173.5-177.90000109.3Y361 G365 M366 I372Y361-V363 HydrophobicContact CD2-CG2 4.02Å; Y361-V363 HydrophobicContact CE2-CG2 3.73Å; V363-G365 PolarHBondContact O-N 3.46Å; V363-M366 WeakPolarHBondContact O-CB 3.48Å; V363-M366 PolarHBondContact O-N 2.81Å; V363-I372 HydrophobicContact CG2-CG1 3.77Å
364P67.9Low82.3Confident131 Ų13165.4 Ų65.485%0.85139%0.386SS*.THydrogen-bonded Turntrans-57.2127.5177.2-24.434.1000112.2
365G67Low82.1Confident91 Ų9166.4 Ų66.494%0.93838%0.382SS*.THydrogen-bonded Turntrans92.86.2-179.100000115.6V363V363-G365 PolarHBondContact O-N 3.46Å
366M74.1Confident81.9Confident50 Ų5063.8 Ų63.825%0.24638%0.383CS..  trans-91.8147.6175.2-165.6133.8119.600112.2V363 W370 L371 I372 K381V363-M366 WeakPolarHBondContact O-CB 3.48Å; V363-M366 PolarHBondContact O-N 2.81Å; M366-W370 HydrophobicContact CE-CB 3.93Å; M366-W370 HydrophobicContact CG-CB 4.32Å; M366-L371 WeakPolarHBondContact CE-O 3.48Å; M366-I372 HydrophobicContact CE-CD1 3.58Å; M366-I372 HydrophobicContact CE-CG1 3.64Å; M366-I372 HydrophobicContact SD-CD1 3.95Å; M366-I372 HydrophobicContact SD-CG1 4.22Å; M366-K381 HydrophobicContact CE-CG 4.02Å; M366-K381 HydrophobicContact SD-CD 4.31Å; M366-K381 HydrophobicContact SD-CG 4.17Å
367D76.9Confident81.5Confident120 Ų12069.7 Ų69.764%0.64242%0.416SS*.  trans-62144.8177.5-64.2-39.9000111.8D369 W370D367-D369 PolarHBondContact O-N 3.26Å; D367-W370 PolarHBondContact O-N 3.13Å; D367-W370 VanDerWaalsContact O-N 3.16Å
368S74.4Confident81.2Confident108 Ų10870.2 Ų70.276%0.75542%0.415SS*.THydrogen-bonded Turntrans-61.3-19.7-175.354.20000114.8W370S368-W370 VanDerWaalsContact C-N 3.32Å
369D81.2Confident81.3Confident109 Ų10975.7 Ų75.758%0.58344%0.439SS*.THydrogen-bonded Turntrans-91.7-0.5-174.3-58.5-12.2000112.1D367 V384D367-D369 PolarHBondContact O-N 3.26Å; D369-V384 WeakPolarHBondContact O-CG2 3.49Å; D369-V384 PolarHBondContact O-N 2.92Å
370W84.3Confident81.2Confident65 Ų6573.8 Ų73.825%0.24643%0.428CS..EExtended strand (participates in β ladder)trans-129.4141-174.6-66.687.5000112.4E349 M366 D367 S368 K381 V382 P383E349-W370 HydrophobicContact CG-CH2 4.28Å; E349-W370 HydrophobicContact CG-CZ3 4.02Å; E349-W370 WeakPolarHBondContact OE1-CH2 3.03Å; M366-W370 HydrophobicContact CE-CB 3.93Å; M366-W370 HydrophobicContact CG-CB 4.32Å; D367-W370 PolarHBondContact O-N 3.13Å; D367-W370 VanDerWaalsContact O-N 3.16Å; S368-W370 VanDerWaalsContact C-N 3.32Å; W370-K381 HydrophobicContact CE3-CB 3.72Å; W370-K381 HydrophobicContact CZ3-CB 4.06Å; W370-V382 WeakPolarHBondContact CA-O 3.32Å; W370-P383 HydrophobicContact CE3-CB 4.48Å; W370-P383 HydrophobicContact CZ3-CB 4.42Å
371L86.3Confident81.2Confident26 Ų2677.4 Ų77.414%0.13644%0.444CS..EExtended strand (participates in β ladder)trans-123.7159.5172.2-65.2173000110.2V360 T362 M366 K381 V382 V384 L387V360-L371 HydrophobicContact CB-CB 4.1Å; V360-L371 HydrophobicContact CB-CD1 4.09Å; V360-L371 HydrophobicContact CG1-CB 4.45Å; V360-L371 HydrophobicContact CG2-CD1 3.84Å; T362-L371 HydrophobicContact CG2-CD2 3.4Å; T362-L371 VanDerWaalsContact CG2-CD2 3.4Å; M366-L371 WeakPolarHBondContact CE-O 3.48Å; L371-K381 CarbonylContact O-C 3.56Å; L371-K381 WeakPolarHBondContact O-CA 3.35Å; L371-V382 HydrophobicContact CB-CG2 4.16Å; L371-V382 PolarHBondContact N-O 3.46Å; L371-V382 WeakPolarHBondContact O-CG2 3.37Å; L371-V382 PolarHBondContact O-N 3.38Å; L371-V384 HydrophobicContact CD1-CG2 3.84Å; L371-V384 HydrophobicContact CG-CG2 3.67Å; L371-L387 HydrophobicContact CD1-CD1 4.25Å
372I88.4Confident81.4Confident25 Ų2574.6 Ų74.613%0.12843%0.433CS..EExtended strand (participates in β ladder)trans-88.8116.8168-62.5-64.4000107.8V360 Y361 V363 M366 G380 K381V360-I372 CarbonylContact C-O 3.52Å; V360-I372 WeakPolarHBondContact CA-O 3.41Å; Y361-I372 HydrophobicContact CD2-CB 4.42Å; Y361-I372 HydrophobicContact CE1-CB 4.27Å; Y361-I372 HydrophobicContact CE1-CG2 3.86Å; Y361-I372 HydrophobicContact CE2-CB 4.07Å; Y361-I372 HydrophobicContact CE2-CG2 4.14Å; Y361-I372 PolarHBondContact N-O 3.35Å; Y361-I372 PolarHBondContact O-N 3.49Å; V363-I372 HydrophobicContact CG2-CG1 3.77Å; M366-I372 HydrophobicContact CE-CD1 3.58Å; M366-I372 HydrophobicContact CE-CG1 3.64Å; M366-I372 HydrophobicContact SD-CD1 3.95Å; M366-I372 HydrophobicContact SD-CG1 4.22Å; I372-G380 WeakPolarHBondContact CA-O 3.5Å; I372-K381 HydrophobicContact CD1-CG 3.78Å
373G88.6Confident81.6Confident0 Ų070.7 Ų70.70%041%0.409CS..EExtended strand (participates in β ladder)trans-93.7140.9173.900000111.7T359 K379 G380T359-G373 CarbonylContact O-C 3.53Å; T359-G373 WeakPolarHBondContact O-CA 3.47Å; G373-K379 VanDerWaalsContact O-CA 3.26Å; G373-K379 WeakPolarHBondContact O-CA 3.32Å; G373-G380 PolarHBondContact N-O 2.82Å; G373-G380 PolarHBondContact O-N 2.99Å; G373-G380 VanDerWaalsContact O-N 3.08Å
374E87.7Confident81.9Confident63 Ų6370 Ų7029%0.29440%0.404SS..EExtended strand (participates in β ladder)trans-121.6118.2175.7178.8165-169.500109.5T359 K379T359-E374 PolarHBondContact N-O 2.91Å; T359-E374 PolarHBondContact O-N 2.88Å; E374-K379 HydrophobicContact CB-CG 4.18Å; E374-K379 HydrophobicContact CG-CD 4.34Å; E374-K379 HydrophobicContact CG-CG 4.03Å; E374-K379 WeakPolarHBondContact OE1-CE 3.49Å; E374-K379 IonicContact OE1-NZ 3.73Å; E374-K379 PolarHBondContact OE1-NZ 2.88Å; E374-K379 WeakPolarHBondContact OE2-CE 3.43Å; E374-K379 IonicContact OE2-NZ 2.71Å; E374-K379 PolarHBondContact OE2-NZ 2.86Å
375K81.5Confident82.7Confident60 Ų6069 Ų6926%0.26140%0.396SS..EExtended strand (participates in β ladder)trans-12697.1178.2176.3179162.2162.60108.4L350 E356 I358 N377 Q378L350-K375 HydrophobicContact CD2-CB 4.02Å; E356-K375 WeakPolarHBondContact OE1-CD 3.48Å; E356-K375 WeakPolarHBondContact OE1-CE 3.34Å; E356-K375 IonicContact OE1-NZ 2.66Å; E356-K375 PolarHBondContact OE1-NZ 3.49Å; E356-K375 WeakPolarHBondContact OE2-CE 3.33Å; E356-K375 IonicContact OE2-NZ 3.07Å; E356-K375 PolarHBondContact OE2-NZ 3.29Å; I358-K375 HydrophobicContact CG2-CB 4.2Å; K375-N377 PolarHBondContact O-N 3.16Å; K375-Q378 PolarHBondContact N-O 3.15Å; K375-Q378 PolarHBondContact O-N 2.95Å
376G78.8Confident83.5Confident60 Ų6068.5 Ų68.562%0.61937%0.367SS*.THydrogen-bonded Turntrans58.5-118-174.100000111.4
377N78.4Confident84Confident171 Ų17166.7 Ų66.791%0.91436%0.358SS*.THydrogen-bonded Turntrans-91.21.6178.3-70.1-1000114K375K375-N377 PolarHBondContact O-N 3.16Å
378Q80.4Confident84.2Confident128 Ų12865.5 Ų65.560%0.59835%0.348SS*.EExtended strand (participates in β ladder)trans-104.1134.8-179.3-60.1-17831.500110.3L350 K375L350-Q378 HydrophobicContact CD1-CB 3.74Å; K375-Q378 PolarHBondContact N-O 3.15Å; K375-Q378 PolarHBondContact O-N 2.95Å
379K88.8Confident84.3Confident118 Ų11864.5 Ų64.551%0.51333%0.334SS..EExtended strand (participates in β ladder)trans-133140.3178.1-58.1-173-168.7-142.20109.8G373 E374G373-K379 VanDerWaalsContact O-CA 3.26Å; G373-K379 WeakPolarHBondContact O-CA 3.32Å; E374-K379 HydrophobicContact CB-CG 4.18Å; E374-K379 HydrophobicContact CG-CD 4.34Å; E374-K379 HydrophobicContact CG-CG 4.03Å; E374-K379 WeakPolarHBondContact OE1-CE 3.49Å; E374-K379 IonicContact OE1-NZ 3.73Å; E374-K379 PolarHBondContact OE1-NZ 2.88Å; E374-K379 WeakPolarHBondContact OE2-CE 3.43Å; E374-K379 IonicContact OE2-NZ 2.71Å; E374-K379 PolarHBondContact OE2-NZ 2.86Å
380G88.1Confident83.6Confident6 Ų663.2 Ų63.26%0.06233%0.327CS..EExtended strand (participates in β ladder)trans-173.717217800000112.5S348 I372 G373S348-G380 WeakPolarHBondContact O-CA 3.34Å; I372-G380 WeakPolarHBondContact CA-O 3.5Å; G373-G380 PolarHBondContact N-O 2.82Å; G373-G380 PolarHBondContact O-N 2.99Å; G373-G380 VanDerWaalsContact O-N 3.08Å
381K88.4Confident81.9Confident80 Ų8069 Ų6935%0.34838%0.377SS..EExtended strand (participates in β ladder)trans-70.5137.1177.2-64.4179.8-179.2177.90110.6S348 E349 L350 M366 W370 L371 I372S348-K381 PolarHBondContact O-N 3.16Å; E349-K381 WeakPolarHBondContact CA-O 3.42Å; E349-K381 HydrophobicContact CG-CB 4.28Å; L350-K381 PolarHBondContact N-O 3Å; M366-K381 HydrophobicContact CE-CG 4.02Å; M366-K381 HydrophobicContact SD-CD 4.31Å; M366-K381 HydrophobicContact SD-CG 4.17Å; W370-K381 HydrophobicContact CE3-CB 3.72Å; W370-K381 HydrophobicContact CZ3-CB 4.06Å; L371-K381 CarbonylContact O-C 3.56Å; L371-K381 WeakPolarHBondContact O-CA 3.35Å; I372-K381 HydrophobicContact CD1-CG 3.78Å
382V88.9Confident81.7Confident0 Ų071.2 Ų71.20%039%0.389CS..EExtended strand (participates in β ladder)trans-132.8137177.7-65.30000109.9L350 L352 V360 W370 L371 L387L350-V382 HydrophobicContact CB-CG1 3.85Å; L350-V382 HydrophobicContact CD2-CG1 4.32Å; L352-V382 HydrophobicContact CD1-CB 4.03Å; L352-V382 HydrophobicContact CD1-CG1 3.79Å; L352-V382 HydrophobicContact CD2-CG1 3.89Å; L352-V382 HydrophobicContact CG-CG1 4.05Å; V360-V382 HydrophobicContact CG1-CG2 4.01Å; W370-V382 WeakPolarHBondContact CA-O 3.32Å; L371-V382 HydrophobicContact CB-CG2 4.16Å; L371-V382 PolarHBondContact N-O 3.46Å; L371-V382 WeakPolarHBondContact O-CG2 3.37Å; L371-V382 PolarHBondContact O-N 3.38Å; V382-L387 HydrophobicContact CB-CD1 4.5Å; V382-L387 HydrophobicContact CG2-CD1 3.79Å
383P85.9Confident81.4Confident10 Ų1073.6 Ų73.67%0.06540%0.403CS..EExtended strand (participates in β ladder)trans-73.9133.2179.426.8-31.5000111.2Y342 W370 T385 Y386Y342-P383 HydrophobicContact CD2-CG 3.97Å; Y342-P383 HydrophobicContact CE1-CG 4.48Å; Y342-P383 HydrophobicContact CE2-CG 3.85Å; Y342-P383 HydrophobicContact CG-CG 4.33Å; W370-P383 HydrophobicContact CE3-CB 4.48Å; W370-P383 HydrophobicContact CZ3-CB 4.42Å; P383-T385 PolarHBondContact O-N 3.47Å; P383-Y386 HydrophobicContact CB-CD2 4.06Å; P383-Y386 HydrophobicContact CG-CD2 3.59Å; P383-Y386 HydrophobicContact CG-CE2 4.23Å; P383-Y386 HydrophobicContact CG-CG 4.04Å; P383-Y386 PolarHBondContact O-N 2.98Å
384V84.1Confident81Confident48 Ų4877.7 Ų77.729%0.29143%0.425SS..G310 helixtrans-60.3-32.4-178.4175.20000112.2D369 L371 Y386 L387D369-V384 WeakPolarHBondContact O-CG2 3.49Å; D369-V384 PolarHBondContact O-N 2.92Å; L371-V384 HydrophobicContact CD1-CG2 3.84Å; L371-V384 HydrophobicContact CG-CG2 3.67Å; V384-Y386 PolarHBondContact O-N 3.43Å; V384-Y386 VanDerWaalsContact O-N 3.14Å; V384-L387 PolarHBondContact O-N 2.99Å; V384-L387 VanDerWaalsContact O-N 3.09Å
385T85.1Confident80.6Confident110 Ų11078.5 Ų78.568%0.67543%0.433SS*.G310 helixtrans-64.4-16.2-178.7460000114.2P383P383-T385 PolarHBondContact O-N 3.47Å
386Y82.6Confident80.5Confident82 Ų8279.7 Ų79.732%0.32244%0.444SS..G310 helixtrans-98.75.1179.4-74.2-112.7000112.4L339 Y340 Y342 P383 V384L339-Y386 PolarHBondContact N-O 2.99Å; Y340-Y386 HydrophobicContact CD2-CD1 4.39Å; Y342-Y386 HydrophobicContact CD2-CD1 4.32Å; Y342-Y386 HydrophobicContact CD2-CE1 4.17Å; P383-Y386 HydrophobicContact CB-CD2 4.06Å; P383-Y386 HydrophobicContact CG-CD2 3.59Å; P383-Y386 HydrophobicContact CG-CE2 4.23Å; P383-Y386 HydrophobicContact CG-CG 4.04Å; P383-Y386 PolarHBondContact O-N 2.98Å; V384-Y386 PolarHBondContact O-N 3.43Å; V384-Y386 VanDerWaalsContact O-N 3.14Å
387L84.9Confident80.6Confident12 Ų1281 Ų816%0.06343%0.432CS..EExtended strand (participates in β ladder)trans-121.3136.7-172.8-55.7174.9000111.2V336 V338 L352 I358 V360 L371 V382 V384V336-L387 HydrophobicContact CB-CB 4.23Å; V336-L387 HydrophobicContact CG2-CB 4.29Å; V336-L387 HydrophobicContact CG2-CD1 4.13Å; V336-L387 HydrophobicContact CG2-CD2 3.86Å; V336-L387 HydrophobicContact CG2-CG 4.31Å; V338-L387 HydrophobicContact CG2-CD2 4.07Å; L352-L387 HydrophobicContact CD1-CD2 4.05Å; I358-L387 HydrophobicContact CD1-CD2 3.9Å; V360-L387 HydrophobicContact CG1-CD1 3.99Å; L371-L387 HydrophobicContact CD1-CD1 4.25Å; V382-L387 HydrophobicContact CB-CD1 4.5Å; V382-L387 HydrophobicContact CG2-CD1 3.79Å; V384-L387 PolarHBondContact O-N 2.99Å; V384-L387 VanDerWaalsContact O-N 3.09Å
388E82.1Confident80.8Confident95 Ų9574.6 Ų74.644%0.44440%0.398SS..EExtended strand (participates in β ladder)trans-105.3122.5168.4-173.6177.1-165.600109.2V336 K337 L339 L390V336-E388 CarbonylContact C-O 3.57Å; V336-E388 VanDerWaalsContact CA-O 3.27Å; V336-E388 WeakPolarHBondContact CA-O 3.32Å; V336-E388 WeakPolarHBondContact CB-O 3.44Å; K337-E388 HydrophobicContact CB-CB 4.49Å; K337-E388 PolarHBondContact N-O 3.21Å; K337-E388 PolarHBondContact O-N 3.4Å; L339-E388 HydrophobicContact CD1-CB 4.12Å; L339-E388 HydrophobicContact CD2-CB 3.91Å; L339-E388 HydrophobicContact CG-CB 3.92Å; E388-L390 PolarHBondContact O-N 2.94Å
389L75.9Confident80.8Confident86 Ų8670.5 Ų70.545%0.4538%0.382SS..EExtended strand (participates in β ladder)trans-73117175.6-8078.6000109.4R334 V336 S391R334-L389 VanDerWaalsContact NH1-CD2 3.28Å; V336-L389 HydrophobicContact CG1-CD1 4.38Å; V336-L389 HydrophobicContact CG1-CG 4.05Å; L389-S391 PolarHBondContact O-N 3.46Å
390L66.4Low80.2Confident83 Ų8366.5 Ų66.544%0.43537%0.371SS..  trans-80.1110.9167.6-62.4178.6000107.2K335 K337 L357 E388K335-L390 PolarHBondContact O-N 3.14Å; K337-L390 HydrophobicContact CB-CD1 4.14Å; K337-L390 HydrophobicContact CB-CD2 4.27Å; K337-L390 HydrophobicContact CB-CG 4.17Å; L357-L390 HydrophobicContact CD2-CD1 3.29Å; E388-L390 PolarHBondContact O-N 2.94Å
391S49.4Very low79.4Confident186 Ų18672 Ų72100%1.30140%0.399SS*.  trans-66.70175.4-176.80000112.3L389L389-S391 PolarHBondContact O-N 3.46Å

Retrieved 391 of 391 residues in 337.8 ms (Link to these results)

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