A0A3Q0KR51_SCHMA Loading...

Protein zyg-11 homolog B AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KR51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 927 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
1M23.1Very low32.9Very low208 Ų208133 Ų133100%1.02567%0.673SS**  0-43.60-79.2-171.9-175.700114.3L3 Y4 S5M1-L3 PolarHBondContact O-N 2.62Å; M1-Y4 PolarHBondContact O-N 3.2Å; M1-S5 PolarHBondContact O-N 2.68Å
2A28.4Very low33.9Very low75 Ų75133.4 Ų133.462%0.6268%0.678SS**THydrogen-bonded Turntrans-62.3-23.7-179.400000115.2Y4A2-Y4 VanDerWaalsContact C-N 3.31Å
3L34.6Very low35.5Very low84 Ų84128.5 Ų128.544%0.4467%0.67SS.*THydrogen-bonded Turntrans-78.8-12172.2-66.3170.7000113.6M1 V169M1-L3 PolarHBondContact O-N 2.62Å; L3-V169 HydrophobicContact CD1-CG1 4.22Å
4Y39.5Very low37.8Very low100 Ų100131.2 Ų131.239%0.39269%0.685SS.*THydrogen-bonded Turntrans-113.1-8.6-170.7-80.7-84.7000115M1 A2 D6 S7 I246M1-Y4 PolarHBondContact O-N 3.2Å; A2-Y4 VanDerWaalsContact C-N 3.31Å; Y4-D6 PolarHBondContact O-N 3.21Å; Y4-S7 PolarHBondContact O-N 2.85Å; Y4-S7 PolarHBondContact O-OG 3.3Å; Y4-S7 VanDerWaalsContact O-OG 3.12Å; Y4-I246 HydrophobicContact CE2-CD1 3.67Å; Y4-I246 WeakPolarHBondContact OH-CD1 3.46Å
5S31.1Very low40.5Very low98 Ų98126.3 Ų126.369%0.68567%0.666SS**THydrogen-bonded Turntrans-75.623-162.372.60000116.7M1M1-S5 PolarHBondContact O-N 2.68Å
6D32.2Very low43.5Very low122 Ų122121.4 Ų121.465%0.65265%0.645SS**THydrogen-bonded Turntrans-129.912.7179-103.718.5000113.5Y4 K350Y4-D6 PolarHBondContact O-N 3.21Å; D6-K350 IonicContact OD2-NZ 3.36Å; D6-K350 PolarHBondContact OD2-NZ 3.28Å
7S31Very low46.5Very low85 Ų85122.2 Ų122.259%0.59465%0.649SS**  trans-97.3-4.7-170.754.60000116.9Y4Y4-S7 PolarHBondContact O-N 2.85Å; Y4-S7 PolarHBondContact O-OG 3.3Å; Y4-S7 VanDerWaalsContact O-OG 3.12Å
8Y29.3Very low49.1Very low218 Ų218117.9 Ų117.986%0.85562%0.624SS**  trans-100.888.2169-82.5-88.1000110.3K10Y8-K10 VanDerWaalsContact C-N 3.3Å; Y8-K10 PolarHBondContact O-N 2.98Å
9I38.3Very low51.3Low104 Ų104114.8 Ų114.853%0.53361%0.608SS.*  trans-68.594.7165.3-61.5175.1000106.4K11 T347I9-K11 PolarHBondContact O-N 2.73Å; I9-T347 HydrophobicContact CD1-CG2 3.91Å
10K36.3Very low53.4Low172 Ų172113.4 Ų113.475%0.74860%0.6SS**  trans-60119159.2-83-174.4173.4-1760107.1Y8 D12 A13Y8-K10 VanDerWaalsContact C-N 3.3Å; Y8-K10 PolarHBondContact O-N 2.98Å; K10-D12 PolarHBondContact O-N 3.33Å; K10-A13 HydrophobicContact CB-CB 4.22Å
11K37.9Very low55.4Low197 Ų197111.1 Ų111.186%0.85759%0.593SS**THydrogen-bonded Turntrans-35123.2165.2-70.2177.8172.3-178.20109.6I9 A13I9-K11 PolarHBondContact O-N 2.73Å; K11-A13 PolarHBondContact O-N 2.87Å
12D45.5Very low58.9Low138 Ų138101.7 Ų101.774%0.73855%0.547SS*.THydrogen-bonded Turntrans36.843.6167.9-61-37.8000117K10 L14K10-D12 PolarHBondContact O-N 3.33Å; D12-L14 PolarHBondContact O-N 3.19Å
13A54Low62Low69 Ų69102.8 Ų102.857%0.5754%0.535SS*.  trans-69.3106.4174.800000108.5K10 K11 S15K10-A13 HydrophobicContact CB-CB 4.22Å; K11-A13 PolarHBondContact O-N 2.87Å; A13-S15 PolarHBondContact O-N 3.07Å
14L67.5Low64.9Low167 Ų167102 Ų10287%0.87454%0.536SS*.  trans-36.9136155.8-72.2166.1000108.6D12 S16D12-L14 PolarHBondContact O-N 3.19Å; L14-S16 PolarHBondContact O-N 3.39Å
15S79.5Confident67.6Low58 Ų5898.9 Ų98.941%0.40653%0.527SS..  trans-55.7134.7178.8-59.40000109.4A13 R23A13-S15 PolarHBondContact O-N 3.07Å; S15-R23 PolarHBondContact OG-NH2 3.05Å
16S88.4Confident70.6Confident48 Ų4894.8 Ų94.834%0.33650%0.498SS..  trans-57.8152.4176.668.80000110.5L14 E18 D19 L20L14-S16 PolarHBondContact O-N 3.39Å; S16-E18 PolarHBondContact O-N 3.05Å; S16-D19 PolarHBondContact O-N 3.06Å; S16-D19 PolarHBondContact OG-N 2.97Å; S16-D19 VanDerWaalsContact OG-N 3.15Å; S16-D19 PolarHBondContact OG-OD2 2.81Å; S16-L20 PolarHBondContact O-N 3.41Å
17L93.9Very high73.6Confident134 Ų13497 Ų9770%0.70250%0.502SS*.Hα-helixtrans-52.2-40.1173.5179.260.1000110.9D19 L20 C21L17-D19 PolarHBondContact O-N 3.42Å; L17-L20 WeakPolarHBondContact O-CB 3.18Å; L17-L20 PolarHBondContact O-N 3.35Å; L17-C21 WeakPolarHBondContact O-CB 3.2Å; L17-C21 PolarHBondContact O-N 2.96Å; L17-C21 PolarHBondContact O-SG 3.02Å
18E93.1Very high76.6Confident45 Ų4596 Ų9621%0.2149%0.49CS..Hα-helixtrans-57.2-45.9174.5-171.8-173.2-167.600112.4S16 C21 V22 R58 K62S16-E18 PolarHBondContact O-N 3.05Å; E18-C21 PolarHBondContact O-N 2.91Å; E18-V22 VanDerWaalsContact O-CG2 3.25Å; E18-V22 WeakPolarHBondContact O-CG2 3.22Å; E18-V22 PolarHBondContact O-N 3.45Å; E18-R58 WeakPolarHBondContact OE1-CG 3.41Å; E18-R58 IonicContact OE1-CZ 3.75Å; E18-R58 IonicContact OE1-NE 2.81Å; E18-R58 PolarHBondContact OE1-NE 3.08Å; E18-R58 IonicContact OE1-NH2 2.65Å; E18-R58 IonicContact OE2-CZ 2.88Å; E18-R58 IonicContact OE2-NE 3.37Å; E18-R58 PolarHBondContact OE2-NE 3.16Å; E18-R58 IonicContact OE2-NH2 3.89Å; E18-R58 PolarHBondContact OE2-NH2 2.96Å; E18-K62 HydrophobicContact CG-CD 4.05Å; E18-K62 IonicContact OE1-NZ 2.7Å; E18-K62 WeakPolarHBondContact OE2-CE 3.38Å; E18-K62 IonicContact OE2-NZ 2.69Å; E18-K62 PolarHBondContact OE2-NZ 3.06Å
19D91.3Very high79.6Confident60 Ų6086 Ų8632%0.32145%0.451SS..Hα-helixtrans-70.8-31.2179.2-60.9-40.5000112.7S16 L17 R23 K62S16-D19 PolarHBondContact O-N 3.06Å; S16-D19 PolarHBondContact OG-N 2.97Å; S16-D19 VanDerWaalsContact OG-N 3.15Å; S16-D19 PolarHBondContact OG-OD2 2.81Å; L17-D19 PolarHBondContact O-N 3.42Å; D19-R23 WeakPolarHBondContact O-CB 3.41Å; D19-R23 WeakPolarHBondContact O-CG 3.42Å; D19-R23 PolarHBondContact O-N 3.36Å; D19-R23 VanDerWaalsContact O-N 3.09Å; D19-R23 PolarHBondContact O-NE 3.2Å; D19-K62 IonicContact OD1-NZ 3.34Å; D19-K62 PolarHBondContact OD1-NZ 3.33Å; D19-K62 IonicContact OD2-NZ 3.81Å
20L93.9Very high82.2Confident86 Ų8686.5 Ų86.545%0.4546%0.455SS..Hα-helixtrans-65.2-48.3170.7-73.1164.3000110.6S16 L17 V22 R23 C24S16-L20 PolarHBondContact O-N 3.41Å; L17-L20 WeakPolarHBondContact O-CB 3.18Å; L17-L20 PolarHBondContact O-N 3.35Å; L20-V22 PolarHBondContact O-N 2.77Å; L20-R23 PolarHBondContact O-N 3.12Å; L20-C24 WeakPolarHBondContact O-CB 3.3Å; L20-C24 PolarHBondContact O-N 3.44Å
21C95.2Very high84.9Confident66 Ų6683 Ų8345%0.44645%0.448SS..Hα-helixtrans-59.3-47.1175.8-69.20000111.6L17 E18 R23 C24 V25L17-C21 WeakPolarHBondContact O-CB 3.2Å; L17-C21 PolarHBondContact O-N 2.96Å; L17-C21 PolarHBondContact O-SG 3.02Å; E18-C21 PolarHBondContact O-N 2.91Å; C21-R23 VanDerWaalsContact C-N 3.33Å; C21-R23 PolarHBondContact O-N 3.3Å; C21-C24 WeakPolarHBondContact O-CB 3.32Å; C21-C24 PolarHBondContact O-N 3.4Å; C21-C24 VanDerWaalsContact O-N 3.12Å; C21-V25 WeakPolarHBondContact O-CG2 3.11Å; C21-V25 PolarHBondContact O-N 3.07Å
22V96Very high87.6Confident10 Ų1076.5 Ų76.56%0.06142%0.423CS..Hα-helixtrans-58.4-44.1176.5168.50000111.3E18 L20 C24 V25 C26 K62 I63 Q66E18-V22 VanDerWaalsContact O-CG2 3.25Å; E18-V22 WeakPolarHBondContact O-CG2 3.22Å; E18-V22 PolarHBondContact O-N 3.45Å; L20-V22 PolarHBondContact O-N 2.77Å; V22-C24 VanDerWaalsContact C-N 3.32Å; V22-C24 PolarHBondContact O-N 2.99Å; V22-V25 PolarHBondContact O-N 3.3Å; V22-C26 WeakPolarHBondContact O-CB 3.4Å; V22-C26 PolarHBondContact O-N 3.4Å; V22-C26 PolarHBondContact O-SG 3.14Å; V22-K62 HydrophobicContact CG1-CB 4.21Å; V22-K62 HydrophobicContact CG2-CB 3.75Å; V22-K62 HydrophobicContact CG2-CD 4.27Å; V22-I63 HydrophobicContact CG1-CG1 4.21Å; V22-I63 HydrophobicContact CG2-CG1 4.21Å; V22-Q66 HydrophobicContact CG1-CB 3.73Å; V22-Q66 HydrophobicContact CG1-CG 4.04Å
23R94Very high89.9Confident97 Ų9770 Ų7037%0.36639%0.388SS..Hα-helixtrans-63.6-38.5176.5-79.6-173.2-69.7178.6-9.3112.6S15 D19 L20 C21 K27 R70S15-R23 PolarHBondContact OG-NH2 3.05Å; D19-R23 WeakPolarHBondContact O-CB 3.41Å; D19-R23 WeakPolarHBondContact O-CG 3.42Å; D19-R23 PolarHBondContact O-N 3.36Å; D19-R23 VanDerWaalsContact O-N 3.09Å; D19-R23 PolarHBondContact O-NE 3.2Å; L20-R23 PolarHBondContact O-N 3.12Å; C21-R23 VanDerWaalsContact C-N 3.33Å; C21-R23 PolarHBondContact O-N 3.3Å; R23-K27 WeakPolarHBondContact O-CB 3.38Å; R23-K27 PolarHBondContact O-N 3.07Å; R23-R70 PolarHBondContact O-NH2 3.14Å
24C95.3Very high91.8Very high69 Ų6971 Ų7147%0.46638%0.378SS..Hα-helixtrans-64.8-49.9175.9-173.80000110.8L20 C21 V22 C26 K27 N28L20-C24 WeakPolarHBondContact O-CB 3.3Å; L20-C24 PolarHBondContact O-N 3.44Å; C21-C24 WeakPolarHBondContact O-CB 3.32Å; C21-C24 PolarHBondContact O-N 3.4Å; C21-C24 VanDerWaalsContact O-N 3.12Å; V22-C24 VanDerWaalsContact C-N 3.32Å; V22-C24 PolarHBondContact O-N 2.99Å; C24-C26 PolarHBondContact O-N 3.06Å; C24-K27 PolarHBondContact O-N 3.47Å; C24-N28 WeakPolarHBondContact O-CB 3.27Å; C24-N28 PolarHBondContact O-N 3.12Å; C24-N28 PolarHBondContact O-ND2 2.96Å; C24-N28 PolarHBondContact SG-ND2 3.24Å; C24-N28 VanDerWaalsContact SG-ND2 3.35Å
25V95.2Very high92.9Very high33 Ų3367.8 Ų67.820%0.236%0.36CS..Hα-helixtrans-55.6-50.9176.4170.80000110.7C21 V22 K27 N28 L29 L32 W46 I63C21-V25 WeakPolarHBondContact O-CG2 3.11Å; C21-V25 PolarHBondContact O-N 3.07Å; V22-V25 PolarHBondContact O-N 3.3Å; V25-K27 PolarHBondContact O-N 3.02Å; V25-N28 CarbonylContact O-C 3.56Å; V25-N28 PolarHBondContact O-N 2.79Å; V25-N28 VanDerWaalsContact O-N 3.16Å; V25-L29 HydrophobicContact CG1-CD2 4.47Å; V25-L29 PolarHBondContact O-N 3.01Å; V25-L32 HydrophobicContact CB-CD1 4.15Å; V25-L32 HydrophobicContact CG1-CD1 4.04Å; V25-L32 HydrophobicContact CG2-CD1 3.99Å; V25-W46 HydrophobicContact CG1-CH2 3.84Å; V25-W46 HydrophobicContact CG1-CZ3 3.83Å; V25-I63 HydrophobicContact CG1-CD1 4.09Å; V25-I63 HydrophobicContact CG1-CG1 4.39Å
26C95.3Very high93.2Very high12 Ų1266 Ų668%0.08135%0.348CS..Hα-helixtrans-64.4-26.6178.8-66.30000113.4V22 C24 Q66 L67 R70V22-C26 WeakPolarHBondContact O-CB 3.4Å; V22-C26 PolarHBondContact O-N 3.4Å; V22-C26 PolarHBondContact O-SG 3.14Å; C24-C26 PolarHBondContact O-N 3.06Å; C26-Q66 HydrophobicContact CB-CG 4.12Å; C26-L67 HydrophobicContact CB-CD2 4.03Å; C26-R70 PolarHBondContact O-NH1 2.84Å
27K94Very high93Very high168 Ų16868.1 Ų68.173%0.7336%0.363SS*.Hα-helixtrans-79.3-30.8177.8-172.2-179.9176.4-172.70110.8R23 C24 V25R23-K27 WeakPolarHBondContact O-CB 3.38Å; R23-K27 PolarHBondContact O-N 3.07Å; C24-K27 PolarHBondContact O-N 3.47Å; V25-K27 PolarHBondContact O-N 3.02Å
28N94.8Very high91.9Very high65 Ų6566 Ų6635%0.34835%0.349SS..SBendtrans-110.624.3-174.4-62.5-61000113.3C24 V25 N30 V31 L32C24-N28 WeakPolarHBondContact O-CB 3.27Å; C24-N28 PolarHBondContact O-N 3.12Å; C24-N28 PolarHBondContact O-ND2 2.96Å; C24-N28 PolarHBondContact SG-ND2 3.24Å; C24-N28 VanDerWaalsContact SG-ND2 3.35Å; V25-N28 CarbonylContact O-C 3.56Å; V25-N28 PolarHBondContact O-N 2.79Å; V25-N28 VanDerWaalsContact O-N 3.16Å; N28-N30 PolarHBondContact O-N 3.21Å; N28-N30 VanDerWaalsContact O-N 3.16Å; N28-V31 PolarHBondContact O-N 3.29Å; N28-L32 HydrophobicContact CB-CD1 4.47Å; N28-L32 PolarHBondContact O-N 3.33Å
29L93.4Very high90.7Very high7 Ų771.7 Ų71.74%0.03738%0.381CS..Hα-helixtrans-54.3-37.6-178.9-89.2178.8000112.8V25 V31 L32 T33 W46 L67 L80V25-L29 HydrophobicContact CG1-CD2 4.47Å; V25-L29 PolarHBondContact O-N 3.01Å; L29-V31 PolarHBondContact O-N 3.22Å; L29-L32 CarbonylContact O-C 3.54Å; L29-L32 PolarHBondContact O-N 2.81Å; L29-T33 HydrophobicContact CD2-CG2 3.98Å; L29-T33 VanDerWaalsContact O-CB 3.3Å; L29-T33 WeakPolarHBondContact O-CB 3.39Å; L29-T33 WeakPolarHBondContact O-CG2 3.27Å; L29-T33 PolarHBondContact O-N 3.19Å; L29-T33 PolarHBondContact O-OG1 2.81Å; L29-W46 HydrophobicContact CD2-CH2 3.76Å; L29-W46 HydrophobicContact CD2-CZ3 3.91Å; L29-L67 HydrophobicContact CD1-CD1 4.09Å; L29-L67 HydrophobicContact CD1-CD2 3.47Å; L29-L67 VanDerWaalsContact CD1-CD2 3.47Å; L29-L67 HydrophobicContact CD1-CG 4.4Å; L29-L80 HydrophobicContact CD2-CD1 4.13Å
30N91.1Very high89.7Confident115 Ų11575.3 Ų75.362%0.61541%0.41SS*.Hα-helixtrans-63.3-28.5179.6-65.5-12.6000112.9N28N28-N30 PolarHBondContact O-N 3.21Å; N28-N30 VanDerWaalsContact O-N 3.16Å
31V93.1Very high88.8Confident98 Ų9876.6 Ų76.659%0.59441%0.413SS*.Hα-helixtrans-83.7-39.4176.6-177.50000110.4N28 L29 T33 R47N28-V31 PolarHBondContact O-N 3.29Å; L29-V31 PolarHBondContact O-N 3.22Å; V31-T33 VanDerWaalsContact C-N 3.29Å; V31-T33 PolarHBondContact O-N 3.34Å; V31-R47 PolarHBondContact O-NH1 3.37Å
32L94.6Very high88.1Confident62 Ų6277.9 Ų77.933%0.32542%0.419SS..Hα-helixtrans-85.23-176.6-60.9175.2000114.1V25 N28 L29 R47V25-L32 HydrophobicContact CB-CD1 4.15Å; V25-L32 HydrophobicContact CG1-CD1 4.04Å; V25-L32 HydrophobicContact CG2-CD1 3.99Å; N28-L32 HydrophobicContact CB-CD1 4.47Å; N28-L32 PolarHBondContact O-N 3.33Å; L29-L32 CarbonylContact O-C 3.54Å; L29-L32 PolarHBondContact O-N 2.81Å; L32-R47 PolarHBondContact O-N 2.82Å
33T95.1Very high87.6Confident1 Ų181.7 Ų81.71%0.00644%0.435CS..EExtended strand (participates in β ladder)trans-138.4159.8179.966.80000110.8L29 V31 R44 K45 W46 R47 L80L29-T33 HydrophobicContact CD2-CG2 3.98Å; L29-T33 VanDerWaalsContact O-CB 3.3Å; L29-T33 WeakPolarHBondContact O-CB 3.39Å; L29-T33 WeakPolarHBondContact O-CG2 3.27Å; L29-T33 PolarHBondContact O-N 3.19Å; L29-T33 PolarHBondContact O-OG1 2.81Å; V31-T33 VanDerWaalsContact C-N 3.29Å; V31-T33 PolarHBondContact O-N 3.34Å; T33-R44 HydrophobicContact CG2-CG 4.24Å; T33-R44 WeakPolarHBondContact OG1-CD 3.47Å; T33-R44 PolarHBondContact OG1-NH1 2.69Å; T33-K45 CarbonylContact C-O 3.48Å; T33-K45 WeakPolarHBondContact CA-O 3.46Å; T33-K45 WeakPolarHBondContact CB-O 3.49Å; T33-W46 HydrophobicContact CG2-CD2 4.45Å; T33-W46 HydrophobicContact CG2-CE3 4.08Å; T33-W46 HydrophobicContact CG2-CZ3 4.39Å; T33-R47 VanDerWaalsContact O-CZ 3.24Å; T33-R47 PolarHBondContact O-NH1 3.5Å; T33-R47 VanDerWaalsContact O-NH1 3.12Å; T33-L80 HydrophobicContact CG2-CD1 3.98Å; T33-L80 HydrophobicContact CG2-CD2 3.68Å; T33-L80 HydrophobicContact CG2-CG 4.49Å
34Y93.4Very high87.5Confident91 Ų9178.6 Ų78.636%0.35742%0.423SS..EExtended strand (participates in β ladder)trans-136.8160.4173.566.8-77.2000110.3R44 K45 W46 R47Y34-R44 CarbonylContact O-C 3.6Å; Y34-R44 WeakPolarHBondContact O-CA 3.47Å; Y34-K45 HydrophobicContact CD1-CB 4.32Å; Y34-K45 HydrophobicContact CE1-CB 3.8Å; Y34-K45 HydrophobicContact CE2-CB 4.37Å; Y34-K45 PolarHBondContact N-O 3.1Å; Y34-K45 PolarHBondContact O-N 3.29Å; Y34-W46 WeakPolarHBondContact CE1-O 3.35Å; Y34-R47 HydrophobicContact CD1-CG 3.52Å; Y34-R47 HydrophobicContact CE1-CG 4.27Å; Y34-R47 HydrophobicContact CG-CG 4.36Å
35L91.2Very high87.3Confident98 Ų9877.3 Ų77.351%0.51341%0.41SS..EExtended strand (participates in β ladder)trans-90.2124.4172.9-62.9176.7000108.6V42 R44L35-V42 HydrophobicContact CB-CG1 4.01Å; L35-V42 HydrophobicContact CD1-CG1 4.2Å; L35-V42 HydrophobicContact CD2-CG1 4.03Å; L35-V42 HydrophobicContact CG-CG1 4.3Å; L35-R44 HydrophobicContact CD2-CB 4.09Å; L35-R44 HydrophobicContact CD2-CG 4.45Å
36S86.2Confident87.3Confident21 Ų2176.7 Ų76.715%0.14740%0.404CS..EExtended strand (participates in β ladder)trans-104134.9169-167.10000108.5E38 K43S36-E38 PolarHBondContact OG-OE1 2.85Å; S36-K43 PolarHBondContact N-O 3.17Å; S36-K43 PolarHBondContact O-N 2.94Å
37S82.5Confident87.2Confident93 Ų9382.4 Ų82.465%0.6542%0.424SS*.EExtended strand (participates in β ladder)trans-100.499.2170.2-1740000107.6
38E72.5Confident87.2Confident89 Ų8976.9 Ų76.942%0.41640%0.4SS..EExtended strand (participates in β ladder)trans-119.8127.9176.7-79.1162.8-143.900108.1S36 C40 E41 K45S36-E38 PolarHBondContact OG-OE1 2.85Å; E38-C40 PolarHBondContact O-N 2.9Å; E38-E41 PolarHBondContact N-O 3.2Å; E38-E41 PolarHBondContact O-N 3.28Å; E38-E41 VanDerWaalsContact O-N 3.07Å; E38-K45 WeakPolarHBondContact OE1-CE 3.45Å; E38-K45 IonicContact OE1-NZ 3.67Å; E38-K45 PolarHBondContact OE1-NZ 2.93Å; E38-K45 IonicContact OE2-NZ 3.77Å; E38-K45 PolarHBondContact OE2-NZ 3.19Å
39N67.9Low86.9Confident165 Ų16579.1 Ų79.188%0.88242%0.418SS*.THydrogen-bonded Turntrans51.645.3177.6-60.7-21.8000114.7E41N39-E41 PolarHBondContact O-N 3.41Å; N39-E41 VanDerWaalsContact O-N 3.11Å
40C69.7Low86.7Confident136 Ų13685.1 Ų85.192%0.91944%0.441SS*.THydrogen-bonded Turntrans62.78-178.4-61.30000115.8E38E38-C40 PolarHBondContact O-N 2.9Å
41E75.4Confident86.3Confident112 Ų11285.8 Ų85.852%0.52345%0.451SS..EExtended strand (participates in β ladder)trans-107.7124.8170.1-70.3-171.3157.200110.2E38 N39 K43E38-E41 PolarHBondContact N-O 3.2Å; E38-E41 PolarHBondContact O-N 3.28Å; E38-E41 VanDerWaalsContact O-N 3.07Å; N39-E41 PolarHBondContact O-N 3.41Å; N39-E41 VanDerWaalsContact O-N 3.11Å; E41-K43 HydrophobicContact CB-CG 4.49Å; E41-K43 PolarHBondContact O-N 3.24Å; E41-K43 WeakPolarHBondContact OE2-CE 3.48Å; E41-K43 IonicContact OE2-NZ 2.74Å; E41-K43 PolarHBondContact OE2-NZ 3.49Å
42V80Confident86Confident94 Ų9488 Ų8857%0.5746%0.46SS*.EExtended strand (participates in β ladder)trans-80114.9171.5-1790000108.1L35L35-V42 HydrophobicContact CB-CG1 4.01Å; L35-V42 HydrophobicContact CD1-CG1 4.2Å; L35-V42 HydrophobicContact CD2-CG1 4.03Å; L35-V42 HydrophobicContact CG-CG1 4.3Å
43K85.5Confident85.9Confident89 Ų8987.8 Ų87.839%0.38746%0.457SS..EExtended strand (participates in β ladder)trans-121.1140.6178.8-69.2-177.9179.6163.20111.1S36 E41S36-K43 PolarHBondContact N-O 3.17Å; S36-K43 PolarHBondContact O-N 2.94Å; E41-K43 HydrophobicContact CB-CG 4.49Å; E41-K43 PolarHBondContact O-N 3.24Å; E41-K43 WeakPolarHBondContact OE2-CE 3.48Å; E41-K43 IonicContact OE2-NZ 2.74Å; E41-K43 PolarHBondContact OE2-NZ 3.49Å
44R91Very high85.8Confident33 Ų3392.8 Ų92.813%0.12548%0.475CS..EExtended strand (participates in β ladder)trans-83.4127.3173.6-170.2179-70.9-78.1-8.4110.4T33 Y34 L35 D76 S79 L80T33-R44 HydrophobicContact CG2-CG 4.24Å; T33-R44 WeakPolarHBondContact OG1-CD 3.47Å; T33-R44 PolarHBondContact OG1-NH1 2.69Å; Y34-R44 CarbonylContact O-C 3.6Å; Y34-R44 WeakPolarHBondContact O-CA 3.47Å; L35-R44 HydrophobicContact CD2-CB 4.09Å; L35-R44 HydrophobicContact CD2-CG 4.45Å; R44-D76 VanDerWaalsContact CB-OD1 3.28Å; R44-D76 WeakPolarHBondContact CB-OD1 3.4Å; R44-D76 IonicContact CZ-OD2 2.71Å; R44-D76 IonicContact NE-OD1 3.71Å; R44-D76 IonicContact NE-OD2 3.63Å; R44-D76 PolarHBondContact NE-OD2 3.46Å; R44-D76 IonicContact NH2-OD2 3.88Å; R44-D76 PolarHBondContact NH2-OD2 3.28Å; R44-S79 PolarHBondContact N-OG 3.25Å; R44-S79 PolarHBondContact O-OG 2.85Å; R44-L80 HydrophobicContact CB-CD2 4.35Å; R44-L80 HydrophobicContact CB-CG 4.41Å; R44-L80 HydrophobicContact CG-CD1 4.39Å; R44-L80 HydrophobicContact CG-CD2 3.88Å; R44-L80 HydrophobicContact CG-CG 4.17Å; R44-L80 WeakPolarHBondContact O-CD2 3.3Å
45K92.3Very high85.8Confident41 Ų4189.8 Ų89.818%0.17847%0.465CS..EExtended strand (participates in β ladder)trans-118.8153.3177.2-67.5-167.4175.2-175.70111.2T33 Y34 E38T33-K45 CarbonylContact C-O 3.48Å; T33-K45 WeakPolarHBondContact CA-O 3.46Å; T33-K45 WeakPolarHBondContact CB-O 3.49Å; Y34-K45 HydrophobicContact CD1-CB 4.32Å; Y34-K45 HydrophobicContact CE1-CB 3.8Å; Y34-K45 HydrophobicContact CE2-CB 4.37Å; Y34-K45 PolarHBondContact N-O 3.1Å; Y34-K45 PolarHBondContact O-N 3.29Å; E38-K45 WeakPolarHBondContact OE1-CE 3.45Å; E38-K45 IonicContact OE1-NZ 3.67Å; E38-K45 PolarHBondContact OE1-NZ 2.93Å; E38-K45 IonicContact OE2-NZ 3.77Å; E38-K45 PolarHBondContact OE2-NZ 3.19Å
46W94.4Very high86Confident20 Ų2089.3 Ų89.38%0.07647%0.466CS..EExtended strand (participates in β ladder)trans-71.6140175.5-70.999000111.4V25 L29 T33 Y34 F48 L55 I63 L80V25-W46 HydrophobicContact CG1-CH2 3.84Å; V25-W46 HydrophobicContact CG1-CZ3 3.83Å; L29-W46 HydrophobicContact CD2-CH2 3.76Å; L29-W46 HydrophobicContact CD2-CZ3 3.91Å; T33-W46 HydrophobicContact CG2-CD2 4.45Å; T33-W46 HydrophobicContact CG2-CE3 4.08Å; T33-W46 HydrophobicContact CG2-CZ3 4.39Å; Y34-W46 WeakPolarHBondContact CE1-O 3.35Å; W46-F48 HydrophobicContact CB-CD1 3.94Å; W46-F48 HydrophobicContact CB-CD2 3.88Å; W46-F48 HydrophobicContact CB-CE1 3.57Å; W46-F48 HydrophobicContact CB-CE2 3.5Å; W46-F48 HydrophobicContact CB-CG 4.1Å; W46-F48 HydrophobicContact CB-CZ 3.33Å; W46-F48 AromaticContact CD1-CZ 3.66Å; W46-F48 HydrophobicContact CD2-CE1 4.06Å; W46-F48 HydrophobicContact CD2-CZ 4.06Å; W46-F48 HydrophobicContact CE3-CE1 4.35Å; W46-F48 AromaticContact CG-CE1 3.74Å; W46-F48 HydrophobicContact CG-CE1 3.74Å; W46-F48 AromaticContact CG-CE2 3.96Å; W46-F48 HydrophobicContact CG-CE2 3.96Å; W46-F48 AromaticContact CG-CZ 3.39Å; W46-F48 HydrophobicContact CG-CZ 3.39Å; W46-F48 PolarHBondContact O-N 3.13Å; W46-L55 HydrophobicContact CD2-CD1 4.33Å; W46-L55 HydrophobicContact CH2-CD1 4.2Å; W46-L55 HydrophobicContact CZ2-CD1 3.87Å; W46-I63 HydrophobicContact CH2-CD1 4.34Å; W46-I63 HydrophobicContact CH2-CG2 4.22Å; W46-I63 HydrophobicContact CZ2-CG2 4.5Å; W46-L80 HydrophobicContact CD2-CD2 4.12Å; W46-L80 HydrophobicContact CG-CD2 4.03Å; W46-L80 HydrophobicContact CZ2-CB 4.29Å; W46-L80 HydrophobicContact CZ2-CD1 4.35Å; W46-L80 PolarHBondContact NE1-O 2.94Å
47R94Very high86.4Confident132 Ų13288.8 Ų88.850%0.49846%0.463SS..  trans-88.493163.7-68.5-170.1-179.5124.50.5108.4V31 L32 T33 Y34V31-R47 PolarHBondContact O-NH1 3.37Å; L32-R47 PolarHBondContact O-N 2.82Å; T33-R47 VanDerWaalsContact O-CZ 3.24Å; T33-R47 PolarHBondContact O-NH1 3.5Å; T33-R47 VanDerWaalsContact O-NH1 3.12Å; Y34-R47 HydrophobicContact CD1-CG 3.52Å; Y34-R47 HydrophobicContact CE1-CG 4.27Å; Y34-R47 HydrophobicContact CG-CG 4.36Å
48F92.9Very high87Confident53 Ų5392.1 Ų92.123%0.23246%0.462CS..  trans-89.1155.8176.2-67-47.3000112.8W46 Y50 F53 L55W46-F48 HydrophobicContact CB-CD1 3.94Å; W46-F48 HydrophobicContact CB-CD2 3.88Å; W46-F48 HydrophobicContact CB-CE1 3.57Å; W46-F48 HydrophobicContact CB-CE2 3.5Å; W46-F48 HydrophobicContact CB-CG 4.1Å; W46-F48 HydrophobicContact CB-CZ 3.33Å; W46-F48 AromaticContact CD1-CZ 3.66Å; W46-F48 HydrophobicContact CD2-CE1 4.06Å; W46-F48 HydrophobicContact CD2-CZ 4.06Å; W46-F48 HydrophobicContact CE3-CE1 4.35Å; W46-F48 AromaticContact CG-CE1 3.74Å; W46-F48 HydrophobicContact CG-CE1 3.74Å; W46-F48 AromaticContact CG-CE2 3.96Å; W46-F48 HydrophobicContact CG-CE2 3.96Å; W46-F48 AromaticContact CG-CZ 3.39Å; W46-F48 HydrophobicContact CG-CZ 3.39Å; W46-F48 PolarHBondContact O-N 3.13Å; F48-Y50 VanDerWaalsContact C-N 3.26Å; F48-Y50 PolarHBondContact O-N 3.17Å; F48-F53 HydrophobicContact CB-CB 3.82Å; F48-F53 HydrophobicContact CB-CD1 4.11Å; F48-F53 HydrophobicContact CB-CG 4.22Å; F48-F53 AromaticContact CD1-CD1 3.29Å; F48-F53 HydrophobicContact CD1-CD1 3.29Å; F48-F53 AromaticContact CD1-CE1 3.8Å; F48-F53 HydrophobicContact CD1-CE1 3.8Å; F48-F53 HydrophobicContact CD1-CG 4.22Å; F48-F53 HydrophobicContact CD2-CB 4.46Å; F48-F53 HydrophobicContact CD2-CD1 4.26Å; F48-F53 WeakPolarHBondContact CD2-O 3.29Å; F48-F53 AromaticContact CE1-CD1 3.65Å; F48-F53 HydrophobicContact CE1-CD1 3.65Å; F48-F53 AromaticContact CE1-CE1 3.9Å; F48-F53 HydrophobicContact CE1-CE1 3.9Å; F48-F53 WeakPolarHBondContact CE2-O 3.49Å; F48-F53 HydrophobicContact CG-CB 4.07Å; F48-F53 AromaticContact CG-CD1 3.65Å; F48-F53 HydrophobicContact CG-CD1 3.65Å; F48-F53 HydrophobicContact CG-CG 4.22Å; F48-F53 HydrophobicContact CZ-CD1 4.26Å; F48-L55 HydrophobicContact CE1-CD1 4.16Å; F48-L55 HydrophobicContact CE1-CD2 4.44Å; F48-L55 HydrophobicContact CE1-CG 3.91Å; F48-L55 HydrophobicContact CZ-CD1 4.29Å; F48-L55 HydrophobicContact CZ-CG 4.07Å
49P88.2Confident88.1Confident112 Ų11289.6 Ų89.673%0.72745%0.453SS*.SBendtrans-65.3-25.1178.4-21.133.4000114.3
50Y90.4Very high89.5Confident132 Ų13281.8 Ų81.852%0.51841%0.411SS..SBendtrans-151.3157.4177.352.5-95.1000111.4F48 D52 F53F48-Y50 VanDerWaalsContact C-N 3.26Å; F48-Y50 PolarHBondContact O-N 3.17Å; Y50-D52 PolarHBondContact O-N 3.02Å; Y50-F53 HydrophobicContact CD1-CB 4.44Å; Y50-F53 HydrophobicContact CD1-CD2 4.38Å; Y50-F53 HydrophobicContact CD2-CB 3.72Å; Y50-F53 HydrophobicContact CE1-CB 4.3Å; Y50-F53 AromaticContact CE1-CD2 3.61Å; Y50-F53 HydrophobicContact CE1-CD2 3.61Å; Y50-F53 HydrophobicContact CE1-CE2 4.49Å; Y50-F53 HydrophobicContact CE1-CG 4.43Å; Y50-F53 HydrophobicContact CE2-CB 3.55Å; Y50-F53 HydrophobicContact CE2-CD2 4Å; Y50-F53 HydrophobicContact CE2-CG 4.27Å; Y50-F53 HydrophobicContact CG-CB 4.18Å; Y50-F53 AromaticContact CZ-CD2 3.4Å; Y50-F53 VanDerWaalsContact CZ-CD2 3.4Å; Y50-F53 WeakPolarHBondContact O-CB 3.41Å; Y50-F53 PolarHBondContact O-N 2.85Å; Y50-F53 WeakPolarHBondContact OH-CD2 3.47Å
51P83.1Confident90.8Very high129 Ų12977.2 Ų77.284%0.83838%0.376SS*.THydrogen-bonded Turntrans-58.5-38.6-168.9-27.435.9000115.7F53P51-F53 VanDerWaalsContact C-N 3.32Å; P51-F53 PolarHBondContact O-N 3.42Å
52D85.5Confident91.8Very high144 Ų14474.4 Ų74.477%0.7736%0.362SS*.THydrogen-bonded Turntrans-89.96.6-177-57-42.9000113.7Y50 R54Y50-D52 PolarHBondContact O-N 3.02Å; D52-R54 PolarHBondContact O-N 3.38Å
53F92.3Very high92.6Very high59 Ų5970.2 Ų70.226%0.25934%0.337SS..  trans-69129.2178.7-173.4-79.9000110F48 Y50 P51 L55F48-F53 HydrophobicContact CB-CB 3.82Å; F48-F53 HydrophobicContact CB-CD1 4.11Å; F48-F53 HydrophobicContact CB-CG 4.22Å; F48-F53 AromaticContact CD1-CD1 3.29Å; F48-F53 HydrophobicContact CD1-CD1 3.29Å; F48-F53 AromaticContact CD1-CE1 3.8Å; F48-F53 HydrophobicContact CD1-CE1 3.8Å; F48-F53 HydrophobicContact CD1-CG 4.22Å; F48-F53 HydrophobicContact CD2-CB 4.46Å; F48-F53 HydrophobicContact CD2-CD1 4.26Å; F48-F53 WeakPolarHBondContact CD2-O 3.29Å; F48-F53 AromaticContact CE1-CD1 3.65Å; F48-F53 HydrophobicContact CE1-CD1 3.65Å; F48-F53 AromaticContact CE1-CE1 3.9Å; F48-F53 HydrophobicContact CE1-CE1 3.9Å; F48-F53 WeakPolarHBondContact CE2-O 3.49Å; F48-F53 HydrophobicContact CG-CB 4.07Å; F48-F53 AromaticContact CG-CD1 3.65Å; F48-F53 HydrophobicContact CG-CD1 3.65Å; F48-F53 HydrophobicContact CG-CG 4.22Å; F48-F53 HydrophobicContact CZ-CD1 4.26Å; Y50-F53 HydrophobicContact CD1-CB 4.44Å; Y50-F53 HydrophobicContact CD1-CD2 4.38Å; Y50-F53 HydrophobicContact CD2-CB 3.72Å; Y50-F53 HydrophobicContact CE1-CB 4.3Å; Y50-F53 AromaticContact CE1-CD2 3.61Å; Y50-F53 HydrophobicContact CE1-CD2 3.61Å; Y50-F53 HydrophobicContact CE1-CE2 4.49Å; Y50-F53 HydrophobicContact CE1-CG 4.43Å; Y50-F53 HydrophobicContact CE2-CB 3.55Å; Y50-F53 HydrophobicContact CE2-CD2 4Å; Y50-F53 HydrophobicContact CE2-CG 4.27Å; Y50-F53 HydrophobicContact CG-CB 4.18Å; Y50-F53 AromaticContact CZ-CD2 3.4Å; Y50-F53 VanDerWaalsContact CZ-CD2 3.4Å; Y50-F53 WeakPolarHBondContact O-CB 3.41Å; Y50-F53 PolarHBondContact O-N 2.85Å; Y50-F53 WeakPolarHBondContact OH-CD2 3.47Å; P51-F53 VanDerWaalsContact C-N 3.32Å; P51-F53 PolarHBondContact O-N 3.42Å; F53-L55 HydrophobicContact CE1-CD2 3.8Å; F53-L55 HydrophobicContact CE1-CG 4.34Å; F53-L55 HydrophobicContact CZ-CD2 4.42Å
54R93.3Very high93.2Very high106 Ų10666 Ų6640%0.432%0.318SS..  trans-132.9144.1176.9-66.2-178.261.3-150.8-13111.1D52 V56 A83 E84 S85 V86 D87D52-R54 PolarHBondContact O-N 3.38Å; R54-V56 PolarHBondContact O-N 3.24Å; R54-A83 PolarHBondContact NE-O 3.25Å; R54-A83 PolarHBondContact NH2-O 2.97Å; R54-E84 WeakPolarHBondContact CD-O 3.44Å; R54-E84 VanDerWaalsContact CG-O 3.23Å; R54-E84 WeakPolarHBondContact CG-O 3.35Å; R54-E84 PolarHBondContact NE-O 2.97Å; R54-E84 VanDerWaalsContact NE-O 3.08Å; R54-S85 WeakPolarHBondContact CA-O 3.49Å; R54-V86 PolarHBondContact NH2-O 2.88Å; R54-D87 IonicContact CZ-OD1 3.8Å; R54-D87 IonicContact NH2-OD1 3.35Å; R54-D87 PolarHBondContact NH2-OD1 2.81Å
55L94.7Very high93.5Very high28 Ų2866.6 Ų66.615%0.14732%0.324CS..BIsolated β-bridgetrans-82.6112.7174.3-63.7171.1000110.1W46 F48 F53 S60 I63 S85 V86 D87W46-L55 HydrophobicContact CD2-CD1 4.33Å; W46-L55 HydrophobicContact CH2-CD1 4.2Å; W46-L55 HydrophobicContact CZ2-CD1 3.87Å; F48-L55 HydrophobicContact CE1-CD1 4.16Å; F48-L55 HydrophobicContact CE1-CD2 4.44Å; F48-L55 HydrophobicContact CE1-CG 3.91Å; F48-L55 HydrophobicContact CZ-CD1 4.29Å; F48-L55 HydrophobicContact CZ-CG 4.07Å; F53-L55 HydrophobicContact CE1-CD2 3.8Å; F53-L55 HydrophobicContact CE1-CG 4.34Å; F53-L55 HydrophobicContact CZ-CD2 4.42Å; L55-S60 WeakPolarHBondContact CB-OG 3.5Å; L55-S60 PolarHBondContact O-OG 3.09Å; L55-I63 HydrophobicContact CD1-CD1 4Å; L55-S85 PolarHBondContact N-O 3.46Å; L55-V86 HydrophobicContact CB-CB 4.42Å; L55-V86 HydrophobicContact CB-CG1 4.1Å; L55-V86 HydrophobicContact CD1-CG1 4.23Å; L55-V86 CarbonylContact O-C 3.58Å; L55-V86 WeakPolarHBondContact O-CA 3.13Å; L55-D87 PolarHBondContact O-N 2.96Å
56V94.8Very high93.6Very high88 Ų8866.4 Ų66.453%0.53332%0.323SS..  trans-61.1161.3175.3-59.60000112R54 R58 P59 S60R54-V56 PolarHBondContact O-N 3.24Å; V56-R58 VanDerWaalsContact C-N 3.35Å; V56-R58 PolarHBondContact O-N 3.11Å; V56-R58 VanDerWaalsContact O-N 3.14Å; V56-P59 HydrophobicContact CG2-CG 4.05Å; V56-P59 VanDerWaalsContact O-CD 3.31Å; V56-P59 WeakPolarHBondContact O-CD 3.32Å; V56-S60 PolarHBondContact O-N 2.88Å; V56-S60 PolarHBondContact O-OG 3.09Å
57A95Very high93.7Very high10 Ų1065.5 Ų65.58%0.08332%0.32CS..Hα-helixtrans-55.6-40.9-164.300000115.6S60 Q61 D87 M89A57-S60 PolarHBondContact O-N 3.26Å; A57-Q61 VanDerWaalsContact O-CB 3.31Å; A57-Q61 WeakPolarHBondContact O-CB 3.42Å; A57-Q61 WeakPolarHBondContact O-CG 3.48Å; A57-Q61 PolarHBondContact O-N 3.13Å; A57-D87 VanDerWaalsContact CA-O 3.31Å; A57-D87 WeakPolarHBondContact CA-O 3.04Å; A57-D87 HydrophobicContact CB-CB 4.03Å; A57-M89 HydrophobicContact CB-CE 3.9Å; A57-M89 HydrophobicContact CB-CG 4.03Å
58R95.2Very high93.8Very high163 Ų16359.5 Ų59.562%0.61530%0.298SS*.Hα-helixtrans-66.6-55.2-174.5171-177.9167.9162.21.7112.7E18 V56 S60 Q61 K62E18-R58 WeakPolarHBondContact OE1-CG 3.41Å; E18-R58 IonicContact OE1-CZ 3.75Å; E18-R58 IonicContact OE1-NE 2.81Å; E18-R58 PolarHBondContact OE1-NE 3.08Å; E18-R58 IonicContact OE1-NH2 2.65Å; E18-R58 IonicContact OE2-CZ 2.88Å; E18-R58 IonicContact OE2-NE 3.37Å; E18-R58 PolarHBondContact OE2-NE 3.16Å; E18-R58 IonicContact OE2-NH2 3.89Å; E18-R58 PolarHBondContact OE2-NH2 2.96Å; V56-R58 VanDerWaalsContact C-N 3.35Å; V56-R58 PolarHBondContact O-N 3.11Å; V56-R58 VanDerWaalsContact O-N 3.14Å; R58-S60 PolarHBondContact O-N 3.36Å; R58-Q61 PolarHBondContact O-N 2.92Å; R58-K62 PolarHBondContact O-N 2.99Å
59P94.7Very high93.7Very high36 Ų3663 Ų6323%0.23431%0.313CS..Hα-helixtrans-55.6-44.4171.1-27.934.6000113.6V56 Q61 K62 I63V56-P59 HydrophobicContact CG2-CG 4.05Å; V56-P59 VanDerWaalsContact O-CD 3.31Å; V56-P59 WeakPolarHBondContact O-CD 3.32Å; P59-Q61 PolarHBondContact O-N 3.12Å; P59-K62 WeakPolarHBondContact O-CB 3.43Å; P59-K62 PolarHBondContact O-N 3.39Å; P59-K62 VanDerWaalsContact O-N 3.1Å; P59-I63 VanDerWaalsContact O-CG1 3.31Å; P59-I63 WeakPolarHBondContact O-CG1 3.17Å; P59-I63 PolarHBondContact O-N 2.98Å
60S96.9Very high93.9Very high0 Ų062.4 Ų62.40%030%0.297CS..Hα-helixtrans-58-47.5179.8-610000112L55 V56 A57 R58 K62 I63 L64 F81 D87L55-S60 WeakPolarHBondContact CB-OG 3.5Å; L55-S60 PolarHBondContact O-OG 3.09Å; V56-S60 PolarHBondContact O-N 2.88Å; V56-S60 PolarHBondContact O-OG 3.09Å; A57-S60 PolarHBondContact O-N 3.26Å; R58-S60 PolarHBondContact O-N 3.36Å; S60-K62 VanDerWaalsContact C-N 3.35Å; S60-K62 PolarHBondContact O-N 2.8Å; S60-I63 PolarHBondContact O-N 2.86Å; S60-L64 WeakPolarHBondContact O-CB 3.4Å; S60-L64 PolarHBondContact O-N 2.87Å; S60-F81 WeakPolarHBondContact O-CE1 3.48Å; S60-D87 VanDerWaalsContact CB-O 3.31Å; S60-D87 WeakPolarHBondContact CB-O 3.31Å
61Q97.2Very high94Very high41 Ų4162.1 Ų62.119%0.19230%0.304CS..Hα-helixtrans-63.9-37.6175.6-72.7165.1-161.500112.4A57 R58 P59 L65 L88A57-Q61 VanDerWaalsContact O-CB 3.31Å; A57-Q61 WeakPolarHBondContact O-CB 3.42Å; A57-Q61 WeakPolarHBondContact O-CG 3.48Å; A57-Q61 PolarHBondContact O-N 3.13Å; R58-Q61 PolarHBondContact O-N 2.92Å; P59-Q61 PolarHBondContact O-N 3.12Å; Q61-L65 WeakPolarHBondContact O-CB 3.27Å; Q61-L65 PolarHBondContact O-N 3.12Å; Q61-L88 HydrophobicContact CG-CD2 3.89Å
62K96.5Very high94.5Very high52 Ų5257.5 Ų57.523%0.22628%0.277CS..Hα-helixtrans-66-42.4175.5-77.4-168.7171.2-1650112E18 D19 V22 R58 P59 S60 Q66E18-K62 HydrophobicContact CG-CD 4.05Å; E18-K62 IonicContact OE1-NZ 2.7Å; E18-K62 WeakPolarHBondContact OE2-CE 3.38Å; E18-K62 IonicContact OE2-NZ 2.69Å; E18-K62 PolarHBondContact OE2-NZ 3.06Å; D19-K62 IonicContact OD1-NZ 3.34Å; D19-K62 PolarHBondContact OD1-NZ 3.33Å; D19-K62 IonicContact OD2-NZ 3.81Å; V22-K62 HydrophobicContact CG1-CB 4.21Å; V22-K62 HydrophobicContact CG2-CB 3.75Å; V22-K62 HydrophobicContact CG2-CD 4.27Å; R58-K62 PolarHBondContact O-N 2.99Å; P59-K62 WeakPolarHBondContact O-CB 3.43Å; P59-K62 PolarHBondContact O-N 3.39Å; P59-K62 VanDerWaalsContact O-N 3.1Å; S60-K62 VanDerWaalsContact C-N 3.35Å; S60-K62 PolarHBondContact O-N 2.8Å; K62-Q66 VanDerWaalsContact O-CB 3.23Å; K62-Q66 WeakPolarHBondContact O-CB 3.35Å; K62-Q66 PolarHBondContact O-N 3.12Å
63I97.4Very high95Very high6 Ų650.8 Ų50.83%0.03124%0.241CC..Hα-helixtrans-62-50175.7-65.5164.5000109.6V22 V25 W46 L55 P59 S60 L65 Q66 L67 F81V22-I63 HydrophobicContact CG1-CG1 4.21Å; V22-I63 HydrophobicContact CG2-CG1 4.21Å; V25-I63 HydrophobicContact CG1-CD1 4.09Å; V25-I63 HydrophobicContact CG1-CG1 4.39Å; W46-I63 HydrophobicContact CH2-CD1 4.34Å; W46-I63 HydrophobicContact CH2-CG2 4.22Å; W46-I63 HydrophobicContact CZ2-CG2 4.5Å; L55-I63 HydrophobicContact CD1-CD1 4Å; P59-I63 VanDerWaalsContact O-CG1 3.31Å; P59-I63 WeakPolarHBondContact O-CG1 3.17Å; P59-I63 PolarHBondContact O-N 2.98Å; S60-I63 PolarHBondContact O-N 2.86Å; I63-L65 PolarHBondContact O-N 3.29Å; I63-Q66 PolarHBondContact O-N 2.94Å; I63-Q66 VanDerWaalsContact O-N 3.12Å; I63-L67 HydrophobicContact CG2-CD1 4.32Å; I63-L67 WeakPolarHBondContact O-CG 3.29Å; I63-L67 PolarHBondContact O-N 2.86Å; I63-F81 HydrophobicContact CG2-CE1 4.4Å; I63-F81 HydrophobicContact CG2-CZ 4.04Å
64L97.6Very high95.1Very high0 Ų050.2 Ų50.20%024%0.241CC..Hα-helixtrans-54.2-50.6177.4-17862.4000111.9S60 Q66 L67 C68 L73 M78 F81 P91 I93S60-L64 WeakPolarHBondContact O-CB 3.4Å; S60-L64 PolarHBondContact O-N 2.87Å; L64-Q66 VanDerWaalsContact C-N 3.32Å; L64-Q66 PolarHBondContact O-N 2.88Å; L64-L67 PolarHBondContact O-N 3.24Å; L64-C68 PolarHBondContact O-N 2.85Å; L64-C68 PolarHBondContact O-SG 2.87Å; L64-L73 HydrophobicContact CD1-CD1 3.93Å; L64-L73 HydrophobicContact CD1-CD2 3.55Å; L64-L73 HydrophobicContact CD1-CG 4.42Å; L64-M78 HydrophobicContact CD1-SD 4.34Å; L64-F81 HydrophobicContact CB-CD1 4.28Å; L64-F81 HydrophobicContact CB-CE1 3.64Å; L64-F81 HydrophobicContact CB-CE2 4.46Å; L64-F81 HydrophobicContact CB-CZ 3.74Å; L64-F81 HydrophobicContact CD1-CD1 4.44Å; L64-F81 HydrophobicContact CD1-CD2 3.93Å; L64-F81 HydrophobicContact CD1-CE1 4.22Å; L64-F81 HydrophobicContact CD1-CE2 3.67Å; L64-F81 HydrophobicContact CD1-CG 4.3Å; L64-F81 HydrophobicContact CD1-CZ 3.83Å; L64-F81 HydrophobicContact CG-CE1 4.45Å; L64-F81 HydrophobicContact CG-CZ 4.4Å; L64-P91 HydrophobicContact CD2-CB 3.75Å; L64-I93 HydrophobicContact CD2-CG1 4.03Å
65L96.5Very high95.1Very high47 Ų4747.9 Ų47.925%0.24624%0.236CC..Hα-helixtrans-63.8-37.3178.7177.960.5000112.2Q61 I63 C68 K69 V92 K94Q61-L65 WeakPolarHBondContact O-CB 3.27Å; Q61-L65 PolarHBondContact O-N 3.12Å; I63-L65 PolarHBondContact O-N 3.29Å; L65-C68 WeakPolarHBondContact O-CB 3.4Å; L65-C68 PolarHBondContact O-N 2.93Å; L65-K69 HydrophobicContact CG-CD 4.39Å; L65-K69 WeakPolarHBondContact O-CG 3.25Å; L65-K69 PolarHBondContact O-N 3.24Å; L65-V92 HydrophobicContact CD1-CB 4.36Å; L65-V92 HydrophobicContact CD1-CG1 3.98Å; L65-K94 HydrophobicContact CD1-CD 4.28Å
66Q95.9Very high95Very high36 Ų3648.6 Ų48.617%0.16824%0.24CC..Hα-helixtrans-69.1-34.7179-174.761.621.100111.9V22 C26 K62 I63 L64 K69 R70V22-Q66 HydrophobicContact CG1-CB 3.73Å; V22-Q66 HydrophobicContact CG1-CG 4.04Å; C26-Q66 HydrophobicContact CB-CG 4.12Å; K62-Q66 VanDerWaalsContact O-CB 3.23Å; K62-Q66 WeakPolarHBondContact O-CB 3.35Å; K62-Q66 PolarHBondContact O-N 3.12Å; I63-Q66 PolarHBondContact O-N 2.94Å; I63-Q66 VanDerWaalsContact O-N 3.12Å; L64-Q66 VanDerWaalsContact C-N 3.32Å; L64-Q66 PolarHBondContact O-N 2.88Å; Q66-K69 PolarHBondContact O-N 2.96Å; Q66-R70 WeakPolarHBondContact O-CG 3.41Å; Q66-R70 PolarHBondContact O-N 3.12Å; Q66-R70 VanDerWaalsContact O-N 3.17Å
67L96.5Very high95Very high2 Ų247.1 Ų47.11%0.0123%0.225CC..Hα-helixtrans-65.7-42.3171-65.2176.1000111.7C26 L29 I63 L64 K69 R70 N71 A72 L73 F81C26-L67 HydrophobicContact CB-CD2 4.03Å; L29-L67 HydrophobicContact CD1-CD1 4.09Å; L29-L67 HydrophobicContact CD1-CD2 3.47Å; L29-L67 VanDerWaalsContact CD1-CD2 3.47Å; L29-L67 HydrophobicContact CD1-CG 4.4Å; I63-L67 HydrophobicContact CG2-CD1 4.32Å; I63-L67 WeakPolarHBondContact O-CG 3.29Å; I63-L67 PolarHBondContact O-N 2.86Å; L64-L67 PolarHBondContact O-N 3.24Å; L67-K69 PolarHBondContact O-N 3.4Å; L67-R70 CarbonylContact O-C 3.59Å; L67-R70 PolarHBondContact O-N 2.92Å; L67-N71 PolarHBondContact O-N 2.95Å; L67-A72 HydrophobicContact CD2-CB 4.41Å; L67-A72 PolarHBondContact O-N 3.05Å; L67-L73 HydrophobicContact CB-CB 4.17Å; L67-L73 HydrophobicContact CB-CD1 4.44Å; L67-L73 HydrophobicContact CD1-CD1 4.27Å; L67-F81 HydrophobicContact CD1-CE2 4.02Å; L67-F81 HydrophobicContact CD1-CZ 4.01Å
68C95.9Very high95Very high5 Ų546.7 Ų46.73%0.03422%0.221CC..Hα-helixtrans-58.9-47.6172.5-63.30000111.5L64 L65 R70 N71 L73 K94L64-C68 PolarHBondContact O-N 2.85Å; L64-C68 PolarHBondContact O-SG 2.87Å; L65-C68 WeakPolarHBondContact O-CB 3.4Å; L65-C68 PolarHBondContact O-N 2.93Å; C68-R70 PolarHBondContact O-N 3.48Å; C68-R70 VanDerWaalsContact O-N 3.14Å; C68-N71 PolarHBondContact O-N 2.96Å; C68-L73 VanDerWaalsContact SG-CD2 3.54Å; C68-K94 HydrophobicContact CB-CG 3.8Å; C68-K94 WeakPolarHBondContact CB-O 3.43Å
69K91.3Very high94.9Very high127 Ų12739.9 Ų39.955%0.55220%0.198SC*.Hα-helixtrans-60.5-23.8178.1-75.7174.4179.91740113.6L65 Q66 L67L65-K69 HydrophobicContact CG-CD 4.39Å; L65-K69 WeakPolarHBondContact O-CG 3.25Å; L65-K69 PolarHBondContact O-N 3.24Å; Q66-K69 PolarHBondContact O-N 2.96Å; L67-K69 PolarHBondContact O-N 3.4Å
70R91.5Very high94.9Very high99 Ų9938.1 Ų38.137%0.37419%0.187SC..THydrogen-bonded Turntrans-93.32.7176.5-71.5-179.1174.3179.57.5113.1R23 C26 Q66 L67 C68 A72R23-R70 PolarHBondContact O-NH2 3.14Å; C26-R70 PolarHBondContact O-NH1 2.84Å; Q66-R70 WeakPolarHBondContact O-CG 3.41Å; Q66-R70 PolarHBondContact O-N 3.12Å; Q66-R70 VanDerWaalsContact O-N 3.17Å; L67-R70 CarbonylContact O-C 3.59Å; L67-R70 PolarHBondContact O-N 2.92Å; C68-R70 PolarHBondContact O-N 3.48Å; C68-R70 VanDerWaalsContact O-N 3.14Å; R70-A72 HydrophobicContact CB-CB 4.09Å; R70-A72 PolarHBondContact O-N 2.91Å
71N91.8Very high94.8Very high127 Ų12738.2 Ų38.268%0.67919%0.187SC*.THydrogen-bonded Turntrans51.735.8-171.4-164.843.3000112.4L67 C68 E95L67-N71 PolarHBondContact O-N 2.95Å; C68-N71 PolarHBondContact O-N 2.96Å; N71-E95 PolarHBondContact OD1-O 3.47Å
72A94Very high94.7Very high31 Ų3137.7 Ų37.726%0.25619%0.186SC..  trans-108.4-9.3-173.100000112.9L67 R70 D74 R77L67-A72 HydrophobicContact CD2-CB 4.41Å; L67-A72 PolarHBondContact O-N 3.05Å; R70-A72 HydrophobicContact CB-CB 4.09Å; R70-A72 PolarHBondContact O-N 2.91Å; A72-D74 PolarHBondContact O-N 2.93Å; A72-R77 VanDerWaalsContact O-CD 3.24Å; A72-R77 WeakPolarHBondContact O-CD 3.31Å; A72-R77 PolarHBondContact O-NH1 2.89Å
73L95.7Very high94.5Very high4 Ų436.7 Ų36.72%0.02119%0.187CC..  trans-79.5114.7-178.9-171.970.3000110.8L64 L67 C68 R77 M78 F81 I93 A96 N97 V98L64-L73 HydrophobicContact CD1-CD1 3.93Å; L64-L73 HydrophobicContact CD1-CD2 3.55Å; L64-L73 HydrophobicContact CD1-CG 4.42Å; L67-L73 HydrophobicContact CB-CB 4.17Å; L67-L73 HydrophobicContact CB-CD1 4.44Å; L67-L73 HydrophobicContact CD1-CD1 4.27Å; C68-L73 VanDerWaalsContact SG-CD2 3.54Å; L73-R77 HydrophobicContact CD1-CB 4.24Å; L73-M78 HydrophobicContact CD1-SD 4.38Å; L73-M78 HydrophobicContact CD2-SD 4.26Å; L73-F81 HydrophobicContact CD1-CE2 4.14Å; L73-I93 HydrophobicContact CD2-CG2 3.99Å; L73-A96 HydrophobicContact CB-CB 4.11Å; L73-A96 HydrophobicContact CD2-CB 3.85Å; L73-A96 HydrophobicContact CG-CB 4.23Å; L73-N97 PolarHBondContact O-N 3.46Å; L73-N97 VanDerWaalsContact O-N 3.15Å; L73-V98 HydrophobicContact CD2-CG1 4.41Å; L73-V98 HydrophobicContact CG-CG1 4.22Å
74D94.3Very high94.3Very high47 Ų4743.5 Ų43.525%0.25122%0.219SC..BIsolated β-bridgetrans-129.3-178.4176.3563.3000110.5A72 D76 R77 M78A72-D74 PolarHBondContact O-N 2.93Å; D74-D76 VanDerWaalsContact C-N 3.31Å; D74-D76 PolarHBondContact O-N 3.21Å; D74-R77 PolarHBondContact O-N 3.35Å; D74-R77 WeakPolarHBondContact OD1-CB 3.41Å; D74-R77 WeakPolarHBondContact OD1-CG 3.3Å; D74-R77 PolarHBondContact OD1-N 2.87Å; D74-R77 IonicContact OD1-NH1 3.05Å; D74-R77 PolarHBondContact OD1-NH1 3.32Å; D74-R77 IonicContact OD2-NH1 2.92Å; D74-R77 PolarHBondContact OD2-NH1 3.06Å; D74-M78 VanDerWaalsContact O-CB 3.3Å; D74-M78 WeakPolarHBondContact O-CB 3.3Å; D74-M78 PolarHBondContact O-N 2.98Å
75D93.7Very high94.1Very high56 Ų5644.2 Ų44.230%0.29922%0.224SC..Hα-helixtrans-58.1-41.1-178.4-70.8-17.1000113M78 S79 V98 S99 S102D75-M78 PolarHBondContact O-N 3.19Å; D75-S79 PolarHBondContact O-N 3.24Å; D75-V98 VanDerWaalsContact OD1-CA 3.3Å; D75-V98 WeakPolarHBondContact OD1-CA 3.41Å; D75-S99 PolarHBondContact OD1-N 3.11Å; D75-S99 PolarHBondContact OD1-OG 2.72Å; D75-S99 VanDerWaalsContact OD1-OG 3.04Å; D75-S99 VanDerWaalsContact OD2-CB 3.22Å; D75-S99 WeakPolarHBondContact OD2-CB 3.31Å; D75-S99 PolarHBondContact OD2-OG 3.04Å; D75-S102 WeakPolarHBondContact OD1-CB 3.33Å; D75-S102 PolarHBondContact OD1-OG 2.9Å
76D92.4Very high94.1Very high44 Ų4442 Ų4224%0.23521%0.212CC..Hα-helixtrans-60.2-52177.2-179.445.8000110.9R44 D74 M78 S79R44-D76 VanDerWaalsContact CB-OD1 3.28Å; R44-D76 WeakPolarHBondContact CB-OD1 3.4Å; R44-D76 IonicContact CZ-OD2 2.71Å; R44-D76 IonicContact NE-OD1 3.71Å; R44-D76 IonicContact NE-OD2 3.63Å; R44-D76 PolarHBondContact NE-OD2 3.46Å; R44-D76 IonicContact NH2-OD2 3.88Å; R44-D76 PolarHBondContact NH2-OD2 3.28Å; D74-D76 VanDerWaalsContact C-N 3.31Å; D74-D76 PolarHBondContact O-N 3.21Å; D76-M78 VanDerWaalsContact C-N 3.34Å; D76-M78 PolarHBondContact O-N 2.77Å; D76-S79 WeakPolarHBondContact O-CB 3.49Å; D76-S79 PolarHBondContact O-N 2.94Å; D76-S79 PolarHBondContact O-OG 2.9Å
77R94.7Very high94Very high57 Ų5743.2 Ų43.222%0.21522%0.22CC..Hα-helixtrans-75.8-20.8-180-67.8177.2-169.979.5-0.2113.6A72 L73 D74 S79 L80 F81A72-R77 VanDerWaalsContact O-CD 3.24Å; A72-R77 WeakPolarHBondContact O-CD 3.31Å; A72-R77 PolarHBondContact O-NH1 2.89Å; L73-R77 HydrophobicContact CD1-CB 4.24Å; D74-R77 PolarHBondContact O-N 3.35Å; D74-R77 WeakPolarHBondContact OD1-CB 3.41Å; D74-R77 WeakPolarHBondContact OD1-CG 3.3Å; D74-R77 PolarHBondContact OD1-N 2.87Å; D74-R77 IonicContact OD1-NH1 3.05Å; D74-R77 PolarHBondContact OD1-NH1 3.32Å; D74-R77 IonicContact OD2-NH1 2.92Å; D74-R77 PolarHBondContact OD2-NH1 3.06Å; R77-S79 VanDerWaalsContact C-N 3.26Å; R77-L80 HydrophobicContact CB-CD1 4.47Å; R77-L80 WeakPolarHBondContact O-CB 3.49Å; R77-L80 PolarHBondContact O-N 3.22Å; R77-F81 WeakPolarHBondContact O-CD2 3.41Å; R77-F81 WeakPolarHBondContact O-CE2 3.23Å
78M95Very high94Very high0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-66-32.7171.8-16966.3-158.800111L64 L73 D74 D75 D76 L80 F81 I93 V98 L103 V105 L106L64-M78 HydrophobicContact CD1-SD 4.34Å; L73-M78 HydrophobicContact CD1-SD 4.38Å; L73-M78 HydrophobicContact CD2-SD 4.26Å; D74-M78 VanDerWaalsContact O-CB 3.3Å; D74-M78 WeakPolarHBondContact O-CB 3.3Å; D74-M78 PolarHBondContact O-N 2.98Å; D75-M78 PolarHBondContact O-N 3.19Å; D76-M78 VanDerWaalsContact C-N 3.34Å; D76-M78 PolarHBondContact O-N 2.77Å; M78-L80 PolarHBondContact O-N 2.83Å; M78-L80 VanDerWaalsContact O-N 3.16Å; M78-F81 PolarHBondContact O-N 3.04Å; M78-I93 HydrophobicContact CE-CD1 3.78Å; M78-I93 HydrophobicContact SD-CD1 4.29Å; M78-V98 HydrophobicContact CB-CG1 4.17Å; M78-V98 HydrophobicContact CG-CG1 4.32Å; M78-V98 HydrophobicContact SD-CG1 4.45Å; M78-L103 HydrophobicContact CE-CD2 4.18Å; M78-V105 HydrophobicContact CE-CG2 3.5Å; M78-V105 VanDerWaalsContact CE-CG2 3.5Å; M78-V105 HydrophobicContact CG-CG2 4.26Å; M78-L106 HydrophobicContact CE-CD2 4.19Å; M78-L106 HydrophobicContact CE-CG 4.41Å
79S92.8Very high94Very high20 Ų2047.7 Ų47.714%0.1424%0.242CC..G310 helixtrans-62.3-21.4177.976.80000114.3R44 D75 D76 R77 F81 N82R44-S79 PolarHBondContact N-OG 3.25Å; R44-S79 PolarHBondContact O-OG 2.85Å; D75-S79 PolarHBondContact O-N 3.24Å; D76-S79 WeakPolarHBondContact O-CB 3.49Å; D76-S79 PolarHBondContact O-N 2.94Å; D76-S79 PolarHBondContact O-OG 2.9Å; R77-S79 VanDerWaalsContact C-N 3.26Å; S79-F81 PolarHBondContact O-N 3.17Å; S79-N82 PolarHBondContact O-ND2 3.26Å
80L95.3Very high94.3Very high0 Ų043.8 Ų43.80%023%0.231CC..G310 helixtrans-65.2-18.6173.3-71.7171.6000113.7L29 T33 R44 W46 R77 M78 N82L29-L80 HydrophobicContact CD2-CD1 4.13Å; T33-L80 HydrophobicContact CG2-CD1 3.98Å; T33-L80 HydrophobicContact CG2-CD2 3.68Å; T33-L80 HydrophobicContact CG2-CG 4.49Å; R44-L80 HydrophobicContact CB-CD2 4.35Å; R44-L80 HydrophobicContact CB-CG 4.41Å; R44-L80 HydrophobicContact CG-CD1 4.39Å; R44-L80 HydrophobicContact CG-CD2 3.88Å; R44-L80 HydrophobicContact CG-CG 4.17Å; R44-L80 WeakPolarHBondContact O-CD2 3.3Å; W46-L80 HydrophobicContact CD2-CD2 4.12Å; W46-L80 HydrophobicContact CG-CD2 4.03Å; W46-L80 HydrophobicContact CZ2-CB 4.29Å; W46-L80 HydrophobicContact CZ2-CD1 4.35Å; W46-L80 PolarHBondContact NE1-O 2.94Å; R77-L80 HydrophobicContact CB-CD1 4.47Å; R77-L80 WeakPolarHBondContact O-CB 3.49Å; R77-L80 PolarHBondContact O-N 3.22Å; M78-L80 PolarHBondContact O-N 2.83Å; M78-L80 VanDerWaalsContact O-N 3.16Å; L80-N82 PolarHBondContact O-N 2.99Å
81F96.2Very high94.5Very high1 Ų139.1 Ų39.10%0.00421%0.213CC..G310 helixtrans-100.942.2-176.8-60.3-85.6000111.9S60 I63 L64 L67 L73 R77 M78 S79 V86 L88 F109S60-F81 WeakPolarHBondContact O-CE1 3.48Å; I63-F81 HydrophobicContact CG2-CE1 4.4Å; I63-F81 HydrophobicContact CG2-CZ 4.04Å; L64-F81 HydrophobicContact CB-CD1 4.28Å; L64-F81 HydrophobicContact CB-CE1 3.64Å; L64-F81 HydrophobicContact CB-CE2 4.46Å; L64-F81 HydrophobicContact CB-CZ 3.74Å; L64-F81 HydrophobicContact CD1-CD1 4.44Å; L64-F81 HydrophobicContact CD1-CD2 3.93Å; L64-F81 HydrophobicContact CD1-CE1 4.22Å; L64-F81 HydrophobicContact CD1-CE2 3.67Å; L64-F81 HydrophobicContact CD1-CG 4.3Å; L64-F81 HydrophobicContact CD1-CZ 3.83Å; L64-F81 HydrophobicContact CG-CE1 4.45Å; L64-F81 HydrophobicContact CG-CZ 4.4Å; L67-F81 HydrophobicContact CD1-CE2 4.02Å; L67-F81 HydrophobicContact CD1-CZ 4.01Å; L73-F81 HydrophobicContact CD1-CE2 4.14Å; R77-F81 WeakPolarHBondContact O-CD2 3.41Å; R77-F81 WeakPolarHBondContact O-CE2 3.23Å; M78-F81 PolarHBondContact O-N 3.04Å; S79-F81 PolarHBondContact O-N 3.17Å; F81-V86 HydrophobicContact CB-CG2 4.16Å; F81-V86 HydrophobicContact CD1-CG2 4.32Å; F81-L88 HydrophobicContact CB-CD1 4.27Å; F81-F109 WeakPolarHBondContact O-CE2 3.24Å; F81-F109 VanDerWaalsContact O-CZ 3.29Å; F81-F109 WeakPolarHBondContact O-CZ 3.35Å
82N93.7Very high94.8Very high30 Ų3035.1 Ų35.116%0.1619%0.193CC..  trans-83157.5173.263.370.4000111.6S79 L80 E84 S85 V86S79-N82 PolarHBondContact O-ND2 3.26Å; L80-N82 PolarHBondContact O-N 2.99Å; N82-E84 PolarHBondContact O-N 3.34Å; N82-E84 WeakPolarHBondContact OD1-CB 3.3Å; N82-E84 PolarHBondContact OD1-N 3.33Å; N82-E84 VanDerWaalsContact OD1-N 3.16Å; N82-S85 PolarHBondContact ND2-OG 3Å; N82-S85 PolarHBondContact O-N 2.99Å; N82-S85 VanDerWaalsContact O-N 3.13Å; N82-S85 WeakPolarHBondContact OD1-CB 3.45Å; N82-S85 PolarHBondContact OD1-N 3.21Å; N82-S85 PolarHBondContact OD1-OG 2.96Å; N82-V86 WeakPolarHBondContact O-CG2 3.26Å; N82-V86 PolarHBondContact O-N 2.65Å
83A93.6Very high95Very high31 Ų3133.7 Ų33.726%0.25618%0.181SC..THydrogen-bonded Turntrans-66.1-18.9-17600000113.9R54 D108 F109R54-A83 PolarHBondContact NE-O 3.25Å; R54-A83 PolarHBondContact NH2-O 2.97Å; A83-D108 HydrophobicContact CB-CB 3.79Å; A83-F109 HydrophobicContact CB-CE1 4.15Å; A83-F109 HydrophobicContact CB-CE2 4.45Å; A83-F109 HydrophobicContact CB-CZ 4.07Å
84E92.1Very high95Very high149 Ų14936.2 Ų36.270%0.69619%0.192SC*.THydrogen-bonded Turntrans-72.9-35174.8-57.6174.817500111.3R54 N82R54-E84 WeakPolarHBondContact CD-O 3.44Å; R54-E84 VanDerWaalsContact CG-O 3.23Å; R54-E84 WeakPolarHBondContact CG-O 3.35Å; R54-E84 PolarHBondContact NE-O 2.97Å; R54-E84 VanDerWaalsContact NE-O 3.08Å; N82-E84 PolarHBondContact O-N 3.34Å; N82-E84 WeakPolarHBondContact OD1-CB 3.3Å; N82-E84 PolarHBondContact OD1-N 3.33Å; N82-E84 VanDerWaalsContact OD1-N 3.16Å
85S93.2Very high94.9Very high15 Ų1539.1 Ų39.111%0.10520%0.204CC..THydrogen-bonded Turntrans-98.2-29.6-171.3-57.30000113.9R54 L55 N82R54-S85 WeakPolarHBondContact CA-O 3.49Å; L55-S85 PolarHBondContact N-O 3.46Å; N82-S85 PolarHBondContact ND2-OG 3Å; N82-S85 PolarHBondContact O-N 2.99Å; N82-S85 VanDerWaalsContact O-N 3.13Å; N82-S85 WeakPolarHBondContact OD1-CB 3.45Å; N82-S85 PolarHBondContact OD1-N 3.21Å; N82-S85 PolarHBondContact OD1-OG 2.96Å
86V95.9Very high94.9Very high0 Ų036.8 Ų36.80%019%0.193CC..BIsolated β-bridgetrans-138164.4-172.7-48.70000111.9R54 L55 F81 N82 L88 F109R54-V86 PolarHBondContact NH2-O 2.88Å; L55-V86 HydrophobicContact CB-CB 4.42Å; L55-V86 HydrophobicContact CB-CG1 4.1Å; L55-V86 HydrophobicContact CD1-CG1 4.23Å; L55-V86 CarbonylContact O-C 3.58Å; L55-V86 WeakPolarHBondContact O-CA 3.13Å; F81-V86 HydrophobicContact CB-CG2 4.16Å; F81-V86 HydrophobicContact CD1-CG2 4.32Å; N82-V86 WeakPolarHBondContact O-CG2 3.26Å; N82-V86 PolarHBondContact O-N 2.65Å; V86-L88 HydrophobicContact CG2-CG 4.16Å; V86-F109 HydrophobicContact CG2-CE1 4.18Å; V86-F109 HydrophobicContact CG2-CZ 3.83Å; V86-F109 WeakPolarHBondContact O-CE1 3.39Å
87D95.5Very high95Very high62 Ų6238.6 Ų38.633%0.33220%0.202SC..  trans-106.1149.2159.3-69.7-39.5000110.4R54 L55 A57 S60R54-D87 IonicContact CZ-OD1 3.8Å; R54-D87 IonicContact NH2-OD1 3.35Å; R54-D87 PolarHBondContact NH2-OD1 2.81Å; L55-D87 PolarHBondContact O-N 2.96Å; A57-D87 VanDerWaalsContact CA-O 3.31Å; A57-D87 WeakPolarHBondContact CA-O 3.04Å; A57-D87 HydrophobicContact CB-CB 4.03Å; S60-D87 VanDerWaalsContact CB-O 3.31Å; S60-D87 WeakPolarHBondContact CB-O 3.31Å
88L96.6Very high95Very high4 Ų436 Ų362%0.02119%0.192CC..  trans-140.4133.5171.5-66.2176000109.3Q61 F81 V86 P91 L106 F109 L111Q61-L88 HydrophobicContact CG-CD2 3.89Å; F81-L88 HydrophobicContact CB-CD1 4.27Å; V86-L88 HydrophobicContact CG2-CG 4.16Å; L88-P91 HydrophobicContact CD1-CB 4.32Å; L88-P91 HydrophobicContact CD2-CB 4.42Å; L88-L106 HydrophobicContact CD1-CD2 4.25Å; L88-F109 HydrophobicContact CB-CD1 3.77Å; L88-F109 HydrophobicContact CB-CE1 3.97Å; L88-F109 HydrophobicContact CB-CG 4.08Å; L88-F109 HydrophobicContact CB-CZ 4.44Å; L88-F109 HydrophobicContact CD1-CD2 4.29Å; L88-F109 HydrophobicContact CD1-CE1 4.36Å; L88-F109 HydrophobicContact CD1-CE2 3.98Å; L88-F109 HydrophobicContact CD1-CZ 4Å; L88-F109 HydrophobicContact CG-CD1 4.35Å; L88-F109 HydrophobicContact CG-CE1 4.05Å; L88-F109 HydrophobicContact CG-CZ 4.14Å; L88-L111 HydrophobicContact CB-CD2 4.08Å; L88-L111 WeakPolarHBondContact O-CD2 3.46Å
89M95.6Very high95Very high98 Ų9836.7 Ų36.748%0.48320%0.198SC..SBendtrans-123.9-30.9174.5-62.6-172.2-5800112.3A57 Y112 S113A57-M89 HydrophobicContact CB-CE 3.9Å; A57-M89 HydrophobicContact CB-CG 4.03Å; M89-Y112 PolarHBondContact O-N 2.95Å; M89-S113 PolarHBondContact O-N 2.84Å
90S96.6Very high95Very high45 Ų4538.3 Ų38.332%0.31521%0.208SC..SBendtrans-143.659.8-178.1-60.50000112.1S113S90-S113 WeakPolarHBondContact CA-O 3.33Å
91P97.1Very high94.8Very high0 Ų042.2 Ų42.20%024%0.235CC..  trans-63.8143.7-179.426.3-34.4000112.5L64 L88 L106 L111 S113 L114 S115L64-P91 HydrophobicContact CD2-CB 3.75Å; L88-P91 HydrophobicContact CD1-CB 4.32Å; L88-P91 HydrophobicContact CD2-CB 4.42Å; P91-L106 HydrophobicContact CG-CD2 4.28Å; P91-L111 HydrophobicContact CG-CD1 3.86Å; P91-L111 HydrophobicContact CG-CD2 4.01Å; P91-S113 WeakPolarHBondContact CD-O 3.4Å; P91-L114 HydrophobicContact CG-CD1 3.92Å; P91-S115 PolarHBondContact O-N 2.64Å; P91-S115 VanDerWaalsContact O-N 3.07Å
92V97.4Very high94.6Very high43 Ų4342.9 Ų42.926%0.26124%0.239SC..EExtended strand (participates in β ladder)trans-121.3110.4172.9-179.50000108.5L65L65-V92 HydrophobicContact CD1-CB 4.36Å; L65-V92 HydrophobicContact CD1-CG1 3.98Å
93I97.4Very high94.7Very high1 Ų141.6 Ų41.61%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-113.6114.9177.4-53.1175.9000106.1L64 L73 M78 A96 V98 L103 L106 S115 A116 M117 L119L64-I93 HydrophobicContact CD2-CG1 4.03Å; L73-I93 HydrophobicContact CD2-CG2 3.99Å; M78-I93 HydrophobicContact CE-CD1 3.78Å; M78-I93 HydrophobicContact SD-CD1 4.29Å; I93-A96 HydrophobicContact CG2-CB 3.85Å; I93-V98 HydrophobicContact CG2-CG2 4.25Å; I93-L103 HydrophobicContact CD1-CD2 3.56Å; I93-L106 HydrophobicContact CD1-CD1 4.13Å; I93-S115 PolarHBondContact N-O 3.44Å; I93-S115 VanDerWaalsContact O-O 3.13Å; I93-A116 CarbonylContact O-C 3.31Å; I93-A116 VanDerWaalsContact O-CA 3.28Å; I93-A116 WeakPolarHBondContact O-CA 3.31Å; I93-M117 PolarHBondContact O-N 3.43Å; I93-L119 HydrophobicContact CG2-CD1 4.4Å; I93-L119 HydrophobicContact CG2-CD2 4.07Å
94K95.2Very high94.8Very high57 Ų5746 Ų4625%0.24825%0.246CC..EExtended strand (participates in β ladder)trans-138.6140.7-177.465.5175.3-169.2163.70111.1L65 C68 A96 M117L65-K94 HydrophobicContact CD1-CD 4.28Å; C68-K94 HydrophobicContact CB-CG 3.8Å; C68-K94 WeakPolarHBondContact CB-O 3.43Å; K94-A96 PolarHBondContact O-N 3.16Å; K94-A96 VanDerWaalsContact O-N 3.11Å; K94-M117 CarbonylContact C-O 3.58Å; K94-M117 VanDerWaalsContact CA-O 3.26Å; K94-M117 WeakPolarHBondContact CA-O 3.15Å; K94-M117 HydrophobicContact CB-CB 3.97Å
95E93.2Very high94.9Very high109 Ų10940.1 Ų40.151%0.50922%0.22SC..SBendtrans49.440.6175.6-62.7169.1-160.100111.4N71 M117 N118N71-E95 PolarHBondContact OD1-O 3.47Å; E95-M117 PolarHBondContact N-O 3.01Å; E95-N118 HydrophobicContact CG-CB 3.68Å; E95-N118 PolarHBondContact OE1-ND2 2.86Å; E95-N118 VanDerWaalsContact OE1-ND2 3.13Å
96A94.3Very high95Very high7 Ų739.6 Ų39.66%0.05822%0.216CC..  trans-109.1144.9-173.300000110.9L73 I93 K94 V98 L119L73-A96 HydrophobicContact CB-CB 4.11Å; L73-A96 HydrophobicContact CD2-CB 3.85Å; L73-A96 HydrophobicContact CG-CB 4.23Å; I93-A96 HydrophobicContact CG2-CB 3.85Å; K94-A96 PolarHBondContact O-N 3.16Å; K94-A96 VanDerWaalsContact O-N 3.11Å; A96-V98 VanDerWaalsContact C-N 3.25Å; A96-V98 HydrophobicContact CB-CG1 4.17Å; A96-V98 HydrophobicContact CB-CG2 4.22Å; A96-V98 PolarHBondContact O-N 3.19Å; A96-V98 VanDerWaalsContact O-N 3.13Å; A96-L119 HydrophobicContact CB-CD2 4.12Å
97N93.3Very high95Very high82 Ų8245.5 Ų45.544%0.43924%0.242SC..BIsolated β-bridgetrans-90.757.4-179.4-172.623.9000111.1L73 K121L73-N97 PolarHBondContact O-N 3.46Å; L73-N97 VanDerWaalsContact O-N 3.15Å; N97-K121 WeakPolarHBondContact OD1-CD 3.5Å; N97-K121 WeakPolarHBondContact OD1-CE 3.45Å; N97-K121 PolarHBondContact OD1-NZ 2.95Å
98V94.9Very high95Very high1 Ų148 Ų481%0.00626%0.255CS..  trans-103.9132.6-175.3-67.40000111.3L73 D75 M78 I93 A96 L103 L119 K121L73-V98 HydrophobicContact CD2-CG1 4.41Å; L73-V98 HydrophobicContact CG-CG1 4.22Å; D75-V98 VanDerWaalsContact OD1-CA 3.3Å; D75-V98 WeakPolarHBondContact OD1-CA 3.41Å; M78-V98 HydrophobicContact CB-CG1 4.17Å; M78-V98 HydrophobicContact CG-CG1 4.32Å; M78-V98 HydrophobicContact SD-CG1 4.45Å; I93-V98 HydrophobicContact CG2-CG2 4.25Å; A96-V98 VanDerWaalsContact C-N 3.25Å; A96-V98 HydrophobicContact CB-CG1 4.17Å; A96-V98 HydrophobicContact CB-CG2 4.22Å; A96-V98 PolarHBondContact O-N 3.19Å; A96-V98 VanDerWaalsContact O-N 3.13Å; V98-L103 HydrophobicContact CB-CG 4.23Å; V98-L103 HydrophobicContact CG2-CD1 3.9Å; V98-L103 HydrophobicContact CG2-CD2 4.05Å; V98-L103 HydrophobicContact CG2-CG 3.9Å; V98-L119 HydrophobicContact CG2-CD1 4.39Å; V98-L119 HydrophobicContact CG2-CD2 4.36Å; V98-K121 WeakPolarHBondContact O-CB 3.27Å
99S94.5Very high95Very high16 Ų1648.3 Ų48.311%0.11226%0.257CS..  trans-83.2164.3176.265.20000112.1D75 S101 S102 L103D75-S99 PolarHBondContact OD1-N 3.11Å; D75-S99 PolarHBondContact OD1-OG 2.72Å; D75-S99 VanDerWaalsContact OD1-OG 3.04Å; D75-S99 VanDerWaalsContact OD2-CB 3.22Å; D75-S99 WeakPolarHBondContact OD2-CB 3.31Å; D75-S99 PolarHBondContact OD2-OG 3.04Å; S99-S101 PolarHBondContact O-N 2.78Å; S99-S101 PolarHBondContact OG-OG 3.14Å; S99-S102 PolarHBondContact N-OG 3.3Å; S99-S102 PolarHBondContact O-N 3.35Å; S99-S102 PolarHBondContact O-OG 3.01Å; S99-L103 PolarHBondContact O-N 3.27Å
100P92.9Very high95Very high54 Ų5452 Ų5235%0.35127%0.265SS..Hα-helixtrans-52.5-38.2172.5-27.332.9000114V122 T126 C130P100-V122 HydrophobicContact CB-CG1 4.48Å; P100-V122 HydrophobicContact CG-CG1 3.95Å; P100-T126 HydrophobicContact CB-CG2 3.49Å; P100-T126 VanDerWaalsContact CB-CG2 3.49Å; P100-T126 HydrophobicContact CG-CG2 3.74Å; P100-C130 PolarHBondContact O-SG 3.35Å
101S91.8Very high95Very high82 Ų8249.8 Ų49.857%0.57325%0.25SC*.Hα-helixtrans-70.5-43-175.649.80000111.9S99 L103 K104S99-S101 PolarHBondContact O-N 2.78Å; S99-S101 PolarHBondContact OG-OG 3.14Å; S101-L103 VanDerWaalsContact C-N 3.35Å; S101-K104 WeakPolarHBondContact O-CB 3.24Å; S101-K104 PolarHBondContact O-N 3.22Å
102S92.7Very high95Very high14 Ų1454.9 Ų54.910%0.09827%0.27CS..Hα-helixtrans-70.1-31.7179.269.50000112.6D75 S99 K104 V105D75-S102 WeakPolarHBondContact OD1-CB 3.33Å; D75-S102 PolarHBondContact OD1-OG 2.9Å; S99-S102 PolarHBondContact N-OG 3.3Å; S99-S102 PolarHBondContact O-N 3.35Å; S99-S102 PolarHBondContact O-OG 3.01Å; S102-K104 PolarHBondContact O-N 2.9Å; S102-V105 WeakPolarHBondContact O-CG1 3.35Å; S102-V105 WeakPolarHBondContact O-CG2 3.28Å; S102-V105 PolarHBondContact O-N 3.37Å
103L95.1Very high95Very high4 Ų453.8 Ų53.82%0.02126%0.264CS..Hα-helixtrans-68.3-15.9175.7-81.1175.1000114.2M78 I93 V98 S99 S101 V105 L106 L119 V122 C130M78-L103 HydrophobicContact CE-CD2 4.18Å; I93-L103 HydrophobicContact CD1-CD2 3.56Å; V98-L103 HydrophobicContact CB-CG 4.23Å; V98-L103 HydrophobicContact CG2-CD1 3.9Å; V98-L103 HydrophobicContact CG2-CD2 4.05Å; V98-L103 HydrophobicContact CG2-CG 3.9Å; S99-L103 PolarHBondContact O-N 3.27Å; S101-L103 VanDerWaalsContact C-N 3.35Å; L103-V105 PolarHBondContact O-N 3.13Å; L103-V105 VanDerWaalsContact O-N 3.11Å; L103-L106 HydrophobicContact CD2-CD1 4.05Å; L103-L106 WeakPolarHBondContact O-CB 3.38Å; L103-L106 WeakPolarHBondContact O-CG 3.16Å; L103-L106 PolarHBondContact O-N 3.48Å; L103-L119 HydrophobicContact CD1-CD1 4.36Å; L103-V122 HydrophobicContact CD1-CB 4.34Å; L103-V122 HydrophobicContact CD1-CG1 3.8Å; L103-V122 HydrophobicContact CD1-CG2 3.89Å; L103-C130 HydrophobicContact CB-CB 4.29Å
104K94.8Very high95Very high122 Ų12253.8 Ų53.853%0.5326%0.264SS..G310 helixtrans-62.3-16.6177.4-71.5-178.4-175.9179.30113.7S101 S102 L106 K107S101-K104 WeakPolarHBondContact O-CB 3.24Å; S101-K104 PolarHBondContact O-N 3.22Å; S102-K104 PolarHBondContact O-N 2.9Å; K104-L106 PolarHBondContact O-N 3.47Å; K104-L106 VanDerWaalsContact O-N 3.1Å; K104-K107 WeakPolarHBondContact O-CB 3.37Å; K104-K107 PolarHBondContact O-N 3.38Å
105V94.3Very high95.1Very high27 Ų2751.8 Ų51.816%0.16426%0.257CS..G310 helixtrans-55.6-26171.3-58.80000112.1M78 S102 L103 K107 F109M78-V105 HydrophobicContact CE-CG2 3.5Å; M78-V105 VanDerWaalsContact CE-CG2 3.5Å; M78-V105 HydrophobicContact CG-CG2 4.26Å; S102-V105 WeakPolarHBondContact O-CG1 3.35Å; S102-V105 WeakPolarHBondContact O-CG2 3.28Å; S102-V105 PolarHBondContact O-N 3.37Å; L103-V105 PolarHBondContact O-N 3.13Å; L103-V105 VanDerWaalsContact O-N 3.11Å; V105-K107 PolarHBondContact O-N 3.2Å; V105-F109 WeakPolarHBondContact O-CD2 3.49Å; V105-F109 WeakPolarHBondContact O-CE2 3.25Å
106L96.3Very high95.3Very high4 Ų446.8 Ų46.82%0.02123%0.234CC..G310 helixtrans-66.2-17176.3-61.9-179.2000113.5M78 L88 P91 I93 L103 K104 D108 F109 L111 L114 C130 L131M78-L106 HydrophobicContact CE-CD2 4.19Å; M78-L106 HydrophobicContact CE-CG 4.41Å; L88-L106 HydrophobicContact CD1-CD2 4.25Å; P91-L106 HydrophobicContact CG-CD2 4.28Å; I93-L106 HydrophobicContact CD1-CD1 4.13Å; L103-L106 HydrophobicContact CD2-CD1 4.05Å; L103-L106 WeakPolarHBondContact O-CB 3.38Å; L103-L106 WeakPolarHBondContact O-CG 3.16Å; L103-L106 PolarHBondContact O-N 3.48Å; K104-L106 PolarHBondContact O-N 3.47Å; K104-L106 VanDerWaalsContact O-N 3.1Å; L106-D108 PolarHBondContact O-N 2.96Å; L106-F109 PolarHBondContact O-N 3.48Å; L106-L111 HydrophobicContact CD2-CD1 4.37Å; L106-L114 HydrophobicContact CD1-CD1 4.08Å; L106-C130 CarbonylContact C-O 3.51Å; L106-L131 HydrophobicContact CB-CD2 3.95Å; L106-L131 HydrophobicContact CD1-CD2 4.31Å
107K96.1Very high95.4Very high124 Ų12448.5 Ų48.554%0.53924%0.242SC..G310 helixtrans-64.4-31-178.1-167.7175.4-178.4179.60112.4K104 V105 F109 C130 G132K104-K107 WeakPolarHBondContact O-CB 3.37Å; K104-K107 PolarHBondContact O-N 3.38Å; V105-K107 PolarHBondContact O-N 3.2Å; K107-F109 VanDerWaalsContact C-N 3.3Å; K107-F109 PolarHBondContact O-N 3.42Å; K107-C130 WeakPolarHBondContact CA-O 3.49Å; K107-C130 WeakPolarHBondContact CB-O 3.27Å; K107-C130 PolarHBondContact N-O 3.17Å; K107-C130 VanDerWaalsContact N-O 3.07Å; K107-G132 WeakPolarHBondContact O-CA 3.16Å
108D95.4Very high95.5Very high113 Ų11346.5 Ų46.560%0.60423%0.231SC*.G310 helixtrans-86.4-2.9-174.8-55.4-40.8000112.8A83 L106A83-D108 HydrophobicContact CB-CB 3.79Å; L106-D108 PolarHBondContact O-N 2.96Å
109F96.7Very high95.5Very high12 Ų1246.7 Ų46.75%0.05323%0.232CC..SBendtrans-104149.5179.7-62.9-84000112.8F81 A83 V86 L88 V105 L106 K107 L111 T135F81-F109 WeakPolarHBondContact O-CE2 3.24Å; F81-F109 VanDerWaalsContact O-CZ 3.29Å; F81-F109 WeakPolarHBondContact O-CZ 3.35Å; A83-F109 HydrophobicContact CB-CE1 4.15Å; A83-F109 HydrophobicContact CB-CE2 4.45Å; A83-F109 HydrophobicContact CB-CZ 4.07Å; V86-F109 HydrophobicContact CG2-CE1 4.18Å; V86-F109 HydrophobicContact CG2-CZ 3.83Å; V86-F109 WeakPolarHBondContact O-CE1 3.39Å; L88-F109 HydrophobicContact CB-CD1 3.77Å; L88-F109 HydrophobicContact CB-CE1 3.97Å; L88-F109 HydrophobicContact CB-CG 4.08Å; L88-F109 HydrophobicContact CB-CZ 4.44Å; L88-F109 HydrophobicContact CD1-CD2 4.29Å; L88-F109 HydrophobicContact CD1-CE1 4.36Å; L88-F109 HydrophobicContact CD1-CE2 3.98Å; L88-F109 HydrophobicContact CD1-CZ 4Å; L88-F109 HydrophobicContact CG-CD1 4.35Å; L88-F109 HydrophobicContact CG-CE1 4.05Å; L88-F109 HydrophobicContact CG-CZ 4.14Å; V105-F109 WeakPolarHBondContact O-CD2 3.49Å; V105-F109 WeakPolarHBondContact O-CE2 3.25Å; L106-F109 PolarHBondContact O-N 3.48Å; K107-F109 VanDerWaalsContact C-N 3.3Å; K107-F109 PolarHBondContact O-N 3.42Å; F109-L111 HydrophobicContact CB-CD2 3.53Å; F109-L111 HydrophobicContact CB-CG 4.04Å; F109-L111 HydrophobicContact CG-CD2 4.41Å; F109-T135 PolarHBondContact O-OG1 2.92Å
110R95.4Very high95.3Very high174 Ų17452 Ų5266%0.65726%0.264SS*.  trans-95.388.6170.9-70-174.6-176.1167.51.2109.8W134R110-W134 VanDerWaalsContact C-CZ3 3.41Å; R110-W134 VanDerWaalsContact CA-CE3 3.45Å; R110-W134 HydrophobicContact CB-CD2 3.95Å; R110-W134 HydrophobicContact CB-CE3 3.42Å; R110-W134 VanDerWaalsContact CB-CE3 3.42Å; R110-W134 HydrophobicContact CB-CH2 3.93Å; R110-W134 HydrophobicContact CB-CZ2 4.37Å; R110-W134 HydrophobicContact CB-CZ3 3.44Å; R110-W134 VanDerWaalsContact CB-CZ3 3.44Å; R110-W134 HydrophobicContact CG-CD2 3.68Å; R110-W134 HydrophobicContact CG-CE3 3.63Å; R110-W134 HydrophobicContact CG-CG 4.12Å; R110-W134 HydrophobicContact CG-CZ3 4.15Å
111L97Very high95.3Very high0 Ų054.2 Ų54.20%027%0.268CS..  trans-92.8135.2-173.8-48.7-179.8000111.8L88 P91 L106 F109 L114 L131 T135 L139L88-L111 HydrophobicContact CB-CD2 4.08Å; L88-L111 WeakPolarHBondContact O-CD2 3.46Å; P91-L111 HydrophobicContact CG-CD1 3.86Å; P91-L111 HydrophobicContact CG-CD2 4.01Å; L106-L111 HydrophobicContact CD2-CD1 4.37Å; F109-L111 HydrophobicContact CB-CD2 3.53Å; F109-L111 HydrophobicContact CB-CG 4.04Å; F109-L111 HydrophobicContact CG-CD2 4.41Å; L111-L114 HydrophobicContact CD1-CD1 4.39Å; L111-L131 HydrophobicContact CD1-CD2 4.2Å; L111-T135 HydrophobicContact CB-CG2 3.72Å; L111-T135 HydrophobicContact CD1-CG2 4.34Å; L111-T135 HydrophobicContact CG-CG2 4.17Å; L111-T135 PolarHBondContact N-OG1 3.25Å; L111-L139 HydrophobicContact CB-CD1 4.15Å
112Y96.3Very high95.4Very high107 Ų10750.6 Ų50.642%0.4224%0.242SC..SBendtrans-95.6-24.3170.9-65.5-85.1000112M89 W134 M140 C141M89-Y112 PolarHBondContact O-N 2.95Å; Y112-W134 HydrophobicContact CD1-CH2 4.3Å; Y112-W134 AromaticContact CE1-CH2 3.75Å; Y112-W134 HydrophobicContact CE1-CH2 3.75Å; Y112-W134 HydrophobicContact CE1-CZ2 4.47Å; Y112-W134 HydrophobicContact CE2-CH2 4.13Å; Y112-W134 AromaticContact CZ-CH2 3.65Å; Y112-M140 HydrophobicContact CD1-CE 4.32Å; Y112-M140 HydrophobicContact CD1-SD 4.49Å; Y112-M140 PolarHBondContact O-N 3.24Å; Y112-C141 PolarHBondContact O-N 3.18Å
113S97.6Very high95.3Very high19 Ų1951.2 Ų51.213%0.13324%0.244CC..EExtended strand (participates in β ladder)trans-142.1143.1178.3176.30000110.4M89 S90 P91 C141M89-S113 PolarHBondContact O-N 2.84Å; S90-S113 WeakPolarHBondContact CA-O 3.33Å; P91-S113 WeakPolarHBondContact CD-O 3.4Å; S113-C141 CarbonylContact C-O 3.37Å; S113-C141 VanDerWaalsContact CA-O 3.28Å; S113-C141 WeakPolarHBondContact CA-O 3.42Å
114L97.8Very high95.1Very high1 Ų151 Ų511%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-137.4126.3173.8177.163.1000109.6P91 L106 L111 I127 L131 L139 C141 L142 N143P91-L114 HydrophobicContact CG-CD1 3.92Å; L106-L114 HydrophobicContact CD1-CD1 4.08Å; L111-L114 HydrophobicContact CD1-CD1 4.39Å; L114-I127 HydrophobicContact CD2-CG2 3.76Å; L114-L131 HydrophobicContact CD2-CD1 3.94Å; L114-L131 HydrophobicContact CD2-CD2 3.86Å; L114-L131 HydrophobicContact CD2-CG 4.44Å; L114-L139 HydrophobicContact CB-CD1 4.13Å; L114-L139 HydrophobicContact CB-CD2 4.36Å; L114-C141 PolarHBondContact N-O 2.97Å; L114-L142 HydrophobicContact CB-CD1 4.32Å; L114-L142 HydrophobicContact CD2-CD1 4.29Å; L114-L142 HydrophobicContact CG-CD1 4.46Å; L114-L142 WeakPolarHBondContact O-CA 3.46Å; L114-N143 PolarHBondContact O-N 2.74Å
115S97.7Very high94.9Very high16 Ų1646.8 Ų46.811%0.11223%0.227CC..EExtended strand (participates in β ladder)trans-113.5117.5166.3-63.10000109.7P91 I93 N143P91-S115 PolarHBondContact O-N 2.64Å; P91-S115 VanDerWaalsContact O-N 3.07Å; I93-S115 PolarHBondContact N-O 3.44Å; I93-S115 VanDerWaalsContact O-O 3.13Å; S115-N143 CarbonylContact C-O 3.47Å; S115-N143 WeakPolarHBondContact CA-O 3.5Å
116A96.7Very high94.7Very high3 Ų346.9 Ų46.93%0.02523%0.227CC..EExtended strand (participates in β ladder)trans-127.281.6179.300000108.5I93 L119 I127 N143 I144 T147I93-A116 CarbonylContact O-C 3.31Å; I93-A116 VanDerWaalsContact O-CA 3.28Å; I93-A116 WeakPolarHBondContact O-CA 3.31Å; A116-L119 HydrophobicContact CB-CD1 3.83Å; A116-I127 HydrophobicContact CB-CD1 3.68Å; A116-I127 HydrophobicContact CB-CG1 4.41Å; A116-N143 PolarHBondContact N-O 3.07Å; A116-I144 WeakPolarHBondContact O-CA 3.19Å; A116-T147 PolarHBondContact O-OG1 3.34Å
117M96.1Very high94.6Very high44 Ų4446.9 Ų46.922%0.21723%0.227CC..EExtended strand (participates in β ladder)trans-105.9142.4-166.8-58.617264.300112.6I93 K94 E95 L119 N143 S145I93-M117 PolarHBondContact O-N 3.43Å; K94-M117 CarbonylContact C-O 3.58Å; K94-M117 VanDerWaalsContact CA-O 3.26Å; K94-M117 WeakPolarHBondContact CA-O 3.15Å; K94-M117 HydrophobicContact CB-CB 3.97Å; E95-M117 PolarHBondContact N-O 3.01Å; M117-L119 WeakPolarHBondContact O-CD2 3.36Å; M117-L119 PolarHBondContact O-N 2.61Å; M117-N143 PolarHBondContact SD-ND2 3.44Å; M117-S145 CarbonylContact C-O 3.36Å; M117-S145 VanDerWaalsContact CA-O 3.24Å; M117-S145 WeakPolarHBondContact CA-O 3.37Å
118N94.6Very high94.4Very high40 Ų4041.3 Ų41.321%0.21420%0.203CC..SBendtrans49.341.2176.6-56.7-32.9000112.5E95 S145 G146 T147E95-N118 HydrophobicContact CG-CB 3.68Å; E95-N118 PolarHBondContact OE1-ND2 2.86Å; E95-N118 VanDerWaalsContact OE1-ND2 3.13Å; N118-S145 PolarHBondContact N-O 2.93Å; N118-S145 PolarHBondContact OD1-O 3.49Å; N118-G146 WeakPolarHBondContact CA-O 3.44Å; N118-T147 PolarHBondContact N-OG1 3.5Å
119L95.3Very high94.3Very high5 Ų539.5 Ų39.53%0.02620%0.2CC..  trans-90.7124.5177.2-54.6-174.8000109.3I93 A96 V98 L103 A116 M117 V122 T147I93-L119 HydrophobicContact CG2-CD1 4.4Å; I93-L119 HydrophobicContact CG2-CD2 4.07Å; A96-L119 HydrophobicContact CB-CD2 4.12Å; V98-L119 HydrophobicContact CG2-CD1 4.39Å; V98-L119 HydrophobicContact CG2-CD2 4.36Å; L103-L119 HydrophobicContact CD1-CD1 4.36Å; A116-L119 HydrophobicContact CB-CD1 3.83Å; M117-L119 WeakPolarHBondContact O-CD2 3.36Å; M117-L119 PolarHBondContact O-N 2.61Å; L119-V122 HydrophobicContact CB-CG2 3.54Å; L119-V122 HydrophobicContact CD1-CG2 3.56Å; L119-V122 HydrophobicContact CG-CG2 4.21Å; L119-T147 HydrophobicContact CB-CG2 4.26Å; L119-T147 PolarHBondContact N-OG1 3.24Å
120T91.4Very high94.1Very high127 Ų12739 Ų3978%0.77920%0.198SC*.SBendtrans-94.4-21.4-172.154.20000113.8
121K92.9Very high94.2Very high101 Ų10131.2 Ų31.244%0.43917%0.169SC..SBendtrans-96.6-7.3-178.1-74.4-179.1168.3174.40114.4N97 V98N97-K121 WeakPolarHBondContact OD1-CD 3.5Å; N97-K121 WeakPolarHBondContact OD1-CE 3.45Å; N97-K121 PolarHBondContact OD1-NZ 2.95Å; V98-K121 WeakPolarHBondContact O-CB 3.27Å
122V92.4Very high94Very high6 Ų631.7 Ų31.74%0.03617%0.174CC..  trans-133.6148.3-177.4-60.70000110.4P100 L103 L119 T126 I127 T147P100-V122 HydrophobicContact CB-CG1 4.48Å; P100-V122 HydrophobicContact CG-CG1 3.95Å; L103-V122 HydrophobicContact CD1-CB 4.34Å; L103-V122 HydrophobicContact CD1-CG1 3.8Å; L103-V122 HydrophobicContact CD1-CG2 3.89Å; L119-V122 HydrophobicContact CB-CG2 3.54Å; L119-V122 HydrophobicContact CD1-CG2 3.56Å; L119-V122 HydrophobicContact CG-CG2 4.21Å; V122-T126 HydrophobicContact CB-CG2 4.02Å; V122-T126 HydrophobicContact CG1-CG2 3.86Å; V122-I127 HydrophobicContact CG2-CD1 4.27Å; V122-I127 HydrophobicContact CG2-CG1 4.1Å; V122-T147 WeakPolarHBondContact O-CG2 3.49Å
123N91.3Very high94Very high26 Ų2631.4 Ų31.414%0.13918%0.177CC..  trans-110.417617163.638000110.2N125 T126 I127 S148 L150N123-N125 VanDerWaalsContact C-N 3.3Å; N123-N125 PolarHBondContact O-N 3.09Å; N123-N125 WeakPolarHBondContact OD1-CB 3.32Å; N123-N125 PolarHBondContact OD1-N 3.27Å; N123-T126 WeakPolarHBondContact O-CB 3.26Å; N123-T126 PolarHBondContact O-N 2.81Å; N123-T126 PolarHBondContact OD1-N 3.01Å; N123-T126 PolarHBondContact OD1-OG1 2.93Å; N123-I127 WeakPolarHBondContact O-CG1 3.33Å; N123-I127 PolarHBondContact O-N 2.96Å; N123-S148 CarbonylContact C-O 3.33Å; N123-S148 VanDerWaalsContact CA-O 3.23Å; N123-S148 WeakPolarHBondContact CA-O 3.47Å; N123-S148 VanDerWaalsContact CB-O 3.29Å; N123-S148 WeakPolarHBondContact CB-O 3.44Å; N123-L150 WeakPolarHBondContact CB-O 3.4Å; N123-L150 PolarHBondContact ND2-O 2.72Å; N123-L150 VanDerWaalsContact ND2-O 3.12Å
124L91.9Very high93.9Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-52.9-44.1177.417458.5000113.2T126 I127 I128 L142 I144 S148 I149 L158 L161L124-T126 PolarHBondContact O-N 3.2Å; L124-I127 WeakPolarHBondContact O-CB 3.4Å; L124-I127 PolarHBondContact O-N 3.14Å; L124-I128 HydrophobicContact CD1-CD1 3.87Å; L124-I128 HydrophobicContact CD1-CG1 4.09Å; L124-I128 HydrophobicContact CG-CD1 3.93Å; L124-I128 VanDerWaalsContact O-CG1 3.27Å; L124-I128 WeakPolarHBondContact O-CG1 3.33Å; L124-I128 PolarHBondContact O-N 3Å; L124-L142 HydrophobicContact CD1-CD2 4.33Å; L124-I144 HydrophobicContact CD1-CD1 3.96Å; L124-I144 HydrophobicContact CD1-CG2 4.1Å; L124-I144 HydrophobicContact CD2-CD1 3.94Å; L124-I144 HydrophobicContact CG-CD1 4.39Å; L124-S148 PolarHBondContact N-O 3.03Å; L124-I149 HydrophobicContact CB-CG2 4.32Å; L124-I149 HydrophobicContact CD2-CB 4.35Å; L124-I149 HydrophobicContact CD2-CG2 3.99Å; L124-L158 HydrophobicContact CD2-CD2 3.62Å; L124-L161 HydrophobicContact CD1-CD2 3.83Å; L124-L161 HydrophobicContact CD2-CD1 4Å; L124-L161 HydrophobicContact CD2-CD2 3.79Å; L124-L161 HydrophobicContact CD2-CG 3.78Å; L124-L161 HydrophobicContact CG-CD2 4.28Å
125N89.7Confident93.8Very high34 Ų3434.5 Ų34.518%0.18219%0.185CC..Hα-helixtrans-65-41.9-179.1-69.1-49.6000111.8N123 I127 I128 S129 I157N123-N125 VanDerWaalsContact C-N 3.3Å; N123-N125 PolarHBondContact O-N 3.09Å; N123-N125 WeakPolarHBondContact OD1-CB 3.32Å; N123-N125 PolarHBondContact OD1-N 3.27Å; N125-I127 VanDerWaalsContact C-N 3.34Å; N125-I127 PolarHBondContact O-N 3.25Å; N125-I128 PolarHBondContact O-N 3.13Å; N125-S129 WeakPolarHBondContact O-CB 3.48Å; N125-S129 PolarHBondContact O-N 3.13Å; N125-I157 PolarHBondContact OD1-O 3.17Å; N125-I157 VanDerWaalsContact OD1-O 3.13Å
126T90.7Very high93.7Very high28 Ų2833.8 Ų33.817%0.17218%0.18CC..Hα-helixtrans-58-48.1172.3-53.20000110.7P100 V122 N123 L124 I128 S129 C130P100-T126 HydrophobicContact CB-CG2 3.49Å; P100-T126 VanDerWaalsContact CB-CG2 3.49Å; P100-T126 HydrophobicContact CG-CG2 3.74Å; V122-T126 HydrophobicContact CB-CG2 4.02Å; V122-T126 HydrophobicContact CG1-CG2 3.86Å; N123-T126 WeakPolarHBondContact O-CB 3.26Å; N123-T126 PolarHBondContact O-N 2.81Å; N123-T126 PolarHBondContact OD1-N 3.01Å; N123-T126 PolarHBondContact OD1-OG1 2.93Å; L124-T126 PolarHBondContact O-N 3.2Å; T126-I128 VanDerWaalsContact C-N 3.34Å; T126-I128 PolarHBondContact O-N 2.9Å; T126-S129 WeakPolarHBondContact O-CB 3.24Å; T126-S129 PolarHBondContact O-N 3.32Å; T126-S129 VanDerWaalsContact O-N 3.1Å; T126-S129 PolarHBondContact O-OG 2.9Å; T126-C130 PolarHBondContact O-N 3.31Å; T126-C130 VanDerWaalsContact O-N 3.11Å; T126-C130 PolarHBondContact O-SG 3.36Å
127I93.8Very high93.5Very high4 Ų436.9 Ų36.92%0.02119%0.194CC..Hα-helixtrans-57.3-48.9178.6-69.1163000110.2L114 A116 V122 N123 L124 N125 S129 C130 L131 I144 T147L114-I127 HydrophobicContact CD2-CG2 3.76Å; A116-I127 HydrophobicContact CB-CD1 3.68Å; A116-I127 HydrophobicContact CB-CG1 4.41Å; V122-I127 HydrophobicContact CG2-CD1 4.27Å; V122-I127 HydrophobicContact CG2-CG1 4.1Å; N123-I127 WeakPolarHBondContact O-CG1 3.33Å; N123-I127 PolarHBondContact O-N 2.96Å; L124-I127 WeakPolarHBondContact O-CB 3.4Å; L124-I127 PolarHBondContact O-N 3.14Å; N125-I127 VanDerWaalsContact C-N 3.34Å; N125-I127 PolarHBondContact O-N 3.25Å; I127-S129 VanDerWaalsContact C-N 3.27Å; I127-S129 PolarHBondContact O-N 3.5Å; I127-C130 WeakPolarHBondContact O-CB 3.13Å; I127-C130 PolarHBondContact O-N 3.33Å; I127-C130 VanDerWaalsContact O-N 3.08Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I127-I144 HydrophobicContact CD1-CG2 4.48Å; I127-T147 HydrophobicContact CD1-CG2 3.84Å
128I92.3Very high93.5Very high7 Ų737.1 Ų37.14%0.03620%0.196CC..Hα-helixtrans-58-41.8177.9-64.5167.7000110.8L124 N125 T126 C130 L131 A160 L161 F164L124-I128 HydrophobicContact CD1-CD1 3.87Å; L124-I128 HydrophobicContact CD1-CG1 4.09Å; L124-I128 HydrophobicContact CG-CD1 3.93Å; L124-I128 VanDerWaalsContact O-CG1 3.27Å; L124-I128 WeakPolarHBondContact O-CG1 3.33Å; L124-I128 PolarHBondContact O-N 3Å; N125-I128 PolarHBondContact O-N 3.13Å; T126-I128 VanDerWaalsContact C-N 3.34Å; T126-I128 PolarHBondContact O-N 2.9Å; I128-C130 PolarHBondContact O-N 3.08Å; I128-L131 PolarHBondContact O-N 2.89Å; I128-A160 HydrophobicContact CD1-CB 3.65Å; I128-L161 HydrophobicContact CD1-CD2 4.41Å; I128-F164 HydrophobicContact CD1-CE2 3.93Å; I128-F164 HydrophobicContact CD1-CZ 4.48Å; I128-F164 HydrophobicContact CG1-CE2 3.74Å; I128-F164 HydrophobicContact CG1-CZ 3.8Å
129S91.8Very high93.6Very high76 Ų7635.2 Ų35.253%0.53119%0.186SC..Hα-helixtrans-66.2-22.4179.380.40000114.1N125 T126 I127 L131N125-S129 WeakPolarHBondContact O-CB 3.48Å; N125-S129 PolarHBondContact O-N 3.13Å; T126-S129 WeakPolarHBondContact O-CB 3.24Å; T126-S129 PolarHBondContact O-N 3.32Å; T126-S129 VanDerWaalsContact O-N 3.1Å; T126-S129 PolarHBondContact O-OG 2.9Å; I127-S129 VanDerWaalsContact C-N 3.27Å; I127-S129 PolarHBondContact O-N 3.5Å; S129-L131 VanDerWaalsContact C-N 3.34Å
130C94.4Very high93.7Very high2 Ų239.6 Ų39.61%0.01421%0.208CC..THydrogen-bonded Turntrans-86.4-2177.9-65.50000113.2P100 L103 L106 K107 T126 I127 I128P100-C130 PolarHBondContact O-SG 3.35Å; L103-C130 HydrophobicContact CB-CB 4.29Å; L106-C130 CarbonylContact C-O 3.51Å; K107-C130 WeakPolarHBondContact CA-O 3.49Å; K107-C130 WeakPolarHBondContact CB-O 3.27Å; K107-C130 PolarHBondContact N-O 3.17Å; K107-C130 VanDerWaalsContact N-O 3.07Å; T126-C130 PolarHBondContact O-N 3.31Å; T126-C130 VanDerWaalsContact O-N 3.11Å; T126-C130 PolarHBondContact O-SG 3.36Å; I127-C130 WeakPolarHBondContact O-CB 3.13Å; I127-C130 PolarHBondContact O-N 3.33Å; I127-C130 VanDerWaalsContact O-N 3.08Å; I128-C130 PolarHBondContact O-N 3.08Å
131L95.5Very high94.1Very high9 Ų934.3 Ų34.35%0.04718%0.176CC..SBendtrans-99.9145.5-179.4-57.2176.7000111.5L106 L111 L114 I127 I128 S129 T135 V136 F164L106-L131 HydrophobicContact CB-CD2 3.95Å; L106-L131 HydrophobicContact CD1-CD2 4.31Å; L111-L131 HydrophobicContact CD1-CD2 4.2Å; L114-L131 HydrophobicContact CD2-CD1 3.94Å; L114-L131 HydrophobicContact CD2-CD2 3.86Å; L114-L131 HydrophobicContact CD2-CG 4.44Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I128-L131 PolarHBondContact O-N 2.89Å; S129-L131 VanDerWaalsContact C-N 3.34Å; L131-T135 HydrophobicContact CB-CG2 4.2Å; L131-T135 HydrophobicContact CD1-CG2 4.15Å; L131-T135 HydrophobicContact CD2-CG2 4.24Å; L131-T135 HydrophobicContact CG-CG2 4.4Å; L131-V136 HydrophobicContact CB-CG2 3.94Å; L131-F164 HydrophobicContact CD1-CE1 4.14Å; L131-F164 HydrophobicContact CD1-CZ 4.15Å
132G94.6Very high94.3Very high10 Ų1029.6 Ų29.610%0.10316%0.155CC..  trans-71.7153.8172.100000111.3K107 W134 T135 V136K107-G132 WeakPolarHBondContact O-CA 3.16Å; G132-W134 VanDerWaalsContact C-N 3.26Å; G132-W134 PolarHBondContact O-N 2.89Å; G132-T135 WeakPolarHBondContact O-CA 3.43Å; G132-T135 WeakPolarHBondContact O-CB 3.26Å; G132-T135 PolarHBondContact O-N 3.12Å; G132-V136 PolarHBondContact O-N 2.94Å
133E94.5Very high94.5Very high102 Ų10230.3 Ų30.348%0.47716%0.159SC..Hα-helixtrans-59-38.5-175.5-165.259.4-149.600112.4T135 V136 Q137 R163E133-T135 VanDerWaalsContact C-N 3.28Å; E133-T135 PolarHBondContact O-N 2.83Å; E133-V136 PolarHBondContact O-N 3.44Å; E133-Q137 HydrophobicContact CG-CG 4.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.3Å; E133-Q137 PolarHBondContact O-N 2.82Å; E133-Q137 PolarHBondContact OE1-NE2 3.24Å; E133-R163 IonicContact OE1-NH2 2.66Å; E133-R163 PolarHBondContact OE1-NH2 3.21Å; E133-R163 IonicContact OE2-CZ 3.8Å; E133-R163 IonicContact OE2-NH2 2.74Å; E133-R163 PolarHBondContact OE2-NH2 2.96Å
134W95.7Very high94.7Very high84 Ų8429.1 Ų29.132%0.31815%0.152SC..Hα-helixtrans-55.9-46.3174.8-17495.4000111.3R110 Y112 G132 Q137 N138R110-W134 VanDerWaalsContact C-CZ3 3.41Å; R110-W134 VanDerWaalsContact CA-CE3 3.45Å; R110-W134 HydrophobicContact CB-CD2 3.95Å; R110-W134 HydrophobicContact CB-CE3 3.42Å; R110-W134 VanDerWaalsContact CB-CE3 3.42Å; R110-W134 HydrophobicContact CB-CH2 3.93Å; R110-W134 HydrophobicContact CB-CZ2 4.37Å; R110-W134 HydrophobicContact CB-CZ3 3.44Å; R110-W134 VanDerWaalsContact CB-CZ3 3.44Å; R110-W134 HydrophobicContact CG-CD2 3.68Å; R110-W134 HydrophobicContact CG-CE3 3.63Å; R110-W134 HydrophobicContact CG-CG 4.12Å; R110-W134 HydrophobicContact CG-CZ3 4.15Å; Y112-W134 HydrophobicContact CD1-CH2 4.3Å; Y112-W134 AromaticContact CE1-CH2 3.75Å; Y112-W134 HydrophobicContact CE1-CH2 3.75Å; Y112-W134 HydrophobicContact CE1-CZ2 4.47Å; Y112-W134 HydrophobicContact CE2-CH2 4.13Å; Y112-W134 AromaticContact CZ-CH2 3.65Å; G132-W134 VanDerWaalsContact C-N 3.26Å; G132-W134 PolarHBondContact O-N 2.89Å; W134-Q137 PolarHBondContact O-N 3.48Å; W134-N138 HydrophobicContact CD2-CB 4.25Å; W134-N138 HydrophobicContact CE3-CB 4.09Å; W134-N138 HydrophobicContact CH2-CB 3.79Å; W134-N138 HydrophobicContact CZ2-CB 3.98Å; W134-N138 HydrophobicContact CZ3-CB 3.83Å; W134-N138 VanDerWaalsContact O-CB 3.32Å; W134-N138 WeakPolarHBondContact O-CB 3.33Å; W134-N138 PolarHBondContact O-N 3.42Å; W134-N138 PolarHBondContact O-ND2 2.9Å
135T96.6Very high94.9Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-65.3-44.8179-69.70000110.5F109 L111 L131 G132 E133 Q137 N138 L139F109-T135 PolarHBondContact O-OG1 2.92Å; L111-T135 HydrophobicContact CB-CG2 3.72Å; L111-T135 HydrophobicContact CD1-CG2 4.34Å; L111-T135 HydrophobicContact CG-CG2 4.17Å; L111-T135 PolarHBondContact N-OG1 3.25Å; L131-T135 HydrophobicContact CB-CG2 4.2Å; L131-T135 HydrophobicContact CD1-CG2 4.15Å; L131-T135 HydrophobicContact CD2-CG2 4.24Å; L131-T135 HydrophobicContact CG-CG2 4.4Å; G132-T135 WeakPolarHBondContact O-CA 3.43Å; G132-T135 WeakPolarHBondContact O-CB 3.26Å; G132-T135 PolarHBondContact O-N 3.12Å; E133-T135 VanDerWaalsContact C-N 3.28Å; E133-T135 PolarHBondContact O-N 2.83Å; T135-Q137 PolarHBondContact O-N 2.88Å; T135-N138 PolarHBondContact O-N 3.04Å; T135-L139 HydrophobicContact CG2-CD1 4.06Å; T135-L139 VanDerWaalsContact O-CB 3.24Å; T135-L139 WeakPolarHBondContact O-CB 3.27Å; T135-L139 PolarHBondContact O-N 3.39Å
136V94.5Very high95.2Very high1 Ų128.9 Ų28.91%0.00616%0.157CC..Hα-helixtrans-56.5-40.1176.9176.40000111.7L131 G132 E133 R163 F164L131-V136 HydrophobicContact CB-CG2 3.94Å; G132-V136 PolarHBondContact O-N 2.94Å; E133-V136 PolarHBondContact O-N 3.44Å; V136-R163 HydrophobicContact CG1-CB 3.58Å; V136-F164 HydrophobicContact CB-CE1 4.41Å; V136-F164 HydrophobicContact CG1-CD1 4.34Å; V136-F164 HydrophobicContact CG1-CE1 4.33Å; V136-F164 HydrophobicContact CG2-CE1 4.42Å; V136-F164 WeakPolarHBondContact O-CA 3.37Å; V136-F164 WeakPolarHBondContact O-CD1 2.82Å
137Q93.5Very high95.3Very high68 Ų6827.6 Ų27.632%0.31815%0.15SC..Hα-helixtrans-79.8-24.9179.9-60.2-59.2-29.400114E133 W134 T135 N166E133-Q137 HydrophobicContact CG-CG 4.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.3Å; E133-Q137 PolarHBondContact O-N 2.82Å; E133-Q137 PolarHBondContact OE1-NE2 3.24Å; W134-Q137 PolarHBondContact O-N 3.48Å; T135-Q137 PolarHBondContact O-N 2.88Å; Q137-N166 PolarHBondContact O-ND2 3.31Å
138N95.9Very high95.3Very high50 Ų5029.2 Ų29.227%0.26716%0.161SC..Hα-helixtrans-114-4.6-170.8-67.2-79.7000115W134 T135 M140W134-N138 HydrophobicContact CD2-CB 4.25Å; W134-N138 HydrophobicContact CE3-CB 4.09Å; W134-N138 HydrophobicContact CH2-CB 3.79Å; W134-N138 HydrophobicContact CZ2-CB 3.98Å; W134-N138 HydrophobicContact CZ3-CB 3.83Å; W134-N138 VanDerWaalsContact O-CB 3.32Å; W134-N138 WeakPolarHBondContact O-CB 3.33Å; W134-N138 PolarHBondContact O-N 3.42Å; W134-N138 PolarHBondContact O-ND2 2.9Å; T135-N138 PolarHBondContact O-N 3.04Å; N138-M140 PolarHBondContact O-N 2.76Å
139L97.3Very high95.1Very high0 Ų029 Ų290%016%0.16CC..  trans-61.7123.2180-163.875.4000110.3L111 L114 T135 L142 F164 N166 L167L111-L139 HydrophobicContact CB-CD1 4.15Å; L114-L139 HydrophobicContact CB-CD1 4.13Å; L114-L139 HydrophobicContact CB-CD2 4.36Å; T135-L139 HydrophobicContact CG2-CD1 4.06Å; T135-L139 VanDerWaalsContact O-CB 3.24Å; T135-L139 WeakPolarHBondContact O-CB 3.27Å; T135-L139 PolarHBondContact O-N 3.39Å; L139-L142 HydrophobicContact CD2-CB 3.91Å; L139-L142 HydrophobicContact CD2-CD1 4Å; L139-L142 HydrophobicContact CD2-CG 4.4Å; L139-F164 HydrophobicContact CB-CD1 3.87Å; L139-F164 HydrophobicContact CB-CE1 4.16Å; L139-F164 HydrophobicContact CD2-CD1 4Å; L139-F164 HydrophobicContact CD2-CE1 3.7Å; L139-F164 HydrophobicContact CD2-CZ 4.33Å; L139-N166 CarbonylContact O-C 3.51Å; L139-L167 HydrophobicContact CD2-CD1 4.3Å; L139-L167 HydrophobicContact CG-CD1 4.37Å; L139-L167 WeakPolarHBondContact O-CA 3.33Å; L139-L167 PolarHBondContact O-N 3.42Å
140M97.8Very high94.8Very high96 Ų9626.9 Ų26.947%0.47314%0.143SC..  trans-97.1-27.7-178.9-63.9-179.617800112.6Y112 N138 S168 V169Y112-M140 HydrophobicContact CD1-CE 4.32Å; Y112-M140 HydrophobicContact CD1-SD 4.49Å; Y112-M140 PolarHBondContact O-N 3.24Å; N138-M140 PolarHBondContact O-N 2.76Å; M140-S168 PolarHBondContact O-N 3.3Å; M140-S168 PolarHBondContact O-OG 3.05Å; M140-V169 PolarHBondContact O-N 3.3Å
141C98.1Very high93.8Very high17 Ų1727.7 Ų27.712%0.11515%0.148CC..EExtended strand (participates in β ladder)trans-134.7124.4-177.9178.80000111.4Y112 S113 L114 V169Y112-C141 PolarHBondContact O-N 3.18Å; S113-C141 CarbonylContact C-O 3.37Å; S113-C141 VanDerWaalsContact CA-O 3.28Å; S113-C141 WeakPolarHBondContact CA-O 3.42Å; L114-C141 PolarHBondContact N-O 2.97Å; C141-V169 WeakPolarHBondContact CA-O 3.32Å; C141-V169 HydrophobicContact CB-CB 4.09Å
142L97.5Very high92.5Very high1 Ų136 Ų361%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-126.6124.6176.4-179.361.3000109.4L114 L124 L139 I144 L161 F164 L167 V169 L170 N171L114-L142 HydrophobicContact CB-CD1 4.32Å; L114-L142 HydrophobicContact CD2-CD1 4.29Å; L114-L142 HydrophobicContact CG-CD1 4.46Å; L114-L142 WeakPolarHBondContact O-CA 3.46Å; L124-L142 HydrophobicContact CD1-CD2 4.33Å; L139-L142 HydrophobicContact CD2-CB 3.91Å; L139-L142 HydrophobicContact CD2-CD1 4Å; L139-L142 HydrophobicContact CD2-CG 4.4Å; L142-I144 HydrophobicContact CD1-CG2 3.87Å; L142-I144 HydrophobicContact CD2-CG2 4.35Å; L142-I144 HydrophobicContact CG-CG2 3.96Å; L142-L161 HydrophobicContact CD2-CD2 3.88Å; L142-F164 HydrophobicContact CD2-CD2 4.31Å; L142-F164 HydrophobicContact CD2-CE2 3.87Å; L142-F164 HydrophobicContact CD2-CZ 4.25Å; L142-L167 HydrophobicContact CB-CD1 3.66Å; L142-L167 HydrophobicContact CB-CD2 4.12Å; L142-V169 PolarHBondContact N-O 3.08Å; L142-L170 HydrophobicContact CB-CD1 4.28Å; L142-L170 HydrophobicContact CD2-CD1 4.2Å; L142-L170 HydrophobicContact CG-CD1 4.3Å; L142-L170 WeakPolarHBondContact O-CA 3.42Å; L142-N171 PolarHBondContact O-N 3.49Å
143N97.3Very high91.6Very high21 Ų2140.4 Ų40.411%0.11221%0.212CC..EExtended strand (participates in β ladder)trans-123.9112.6174.5177.61.4000109.7L114 S115 A116 M117 S145 N171L114-N143 PolarHBondContact O-N 2.74Å; S115-N143 CarbonylContact C-O 3.47Å; S115-N143 WeakPolarHBondContact CA-O 3.5Å; A116-N143 PolarHBondContact N-O 3.07Å; M117-N143 PolarHBondContact SD-ND2 3.44Å; N143-S145 VanDerWaalsContact OD1-CB 3.24Å; N143-S145 WeakPolarHBondContact OD1-CB 3.49Å; N143-S145 PolarHBondContact OD1-N 3.46Å; N143-N171 HydrophobicContact CB-CB 4.03Å; N143-N171 PolarHBondContact OD1-ND2 3.06Å
144I95.9Very high90.2Very high1 Ų142.5 Ų42.51%0.00522%0.221CC..  trans-117.524.4-17958172.1000111.2A116 L124 I127 L142 G146 T147 I149 N171 A172A116-I144 WeakPolarHBondContact O-CA 3.19Å; L124-I144 HydrophobicContact CD1-CD1 3.96Å; L124-I144 HydrophobicContact CD1-CG2 4.1Å; L124-I144 HydrophobicContact CD2-CD1 3.94Å; L124-I144 HydrophobicContact CG-CD1 4.39Å; I127-I144 HydrophobicContact CD1-CG2 4.48Å; L142-I144 HydrophobicContact CD1-CG2 3.87Å; L142-I144 HydrophobicContact CD2-CG2 4.35Å; L142-I144 HydrophobicContact CG-CG2 3.96Å; I144-G146 PolarHBondContact O-N 3.32Å; I144-T147 WeakPolarHBondContact O-CB 3.35Å; I144-T147 PolarHBondContact O-N 3.14Å; I144-I149 HydrophobicContact CD1-CG2 3.89Å; I144-N171 WeakPolarHBondContact CG1-O 3.42Å; I144-N171 PolarHBondContact N-O 2.85Å; I144-A172 HydrophobicContact CD1-CB 4.24Å; I144-A172 HydrophobicContact CG1-CB 4.27Å
145S96.1Very high89Confident4 Ų443.8 Ų43.83%0.02823%0.234CC..THydrogen-bonded Turntrans-53.1125.5-175.8165.50000111.7M117 N118 N143 T147 S173M117-S145 CarbonylContact C-O 3.36Å; M117-S145 VanDerWaalsContact CA-O 3.24Å; M117-S145 WeakPolarHBondContact CA-O 3.37Å; N118-S145 PolarHBondContact N-O 2.93Å; N118-S145 PolarHBondContact OD1-O 3.49Å; N143-S145 VanDerWaalsContact OD1-CB 3.24Å; N143-S145 WeakPolarHBondContact OD1-CB 3.49Å; N143-S145 PolarHBondContact OD1-N 3.46Å; S145-T147 PolarHBondContact O-N 2.78Å; S145-S173 CarbonylContact C-O 3.58Å; S145-S173 WeakPolarHBondContact CA-O 3.43Å; S145-S173 WeakPolarHBondContact CB-OG 3.31Å; S145-S173 PolarHBondContact OG-OG 3.38Å
146G94.8Very high87.4Confident25 Ų2546 Ų4626%0.25825%0.248SC..THydrogen-bonded Turntrans71.89.6179.200000115.2N118 I144 S173 R174N118-G146 WeakPolarHBondContact CA-O 3.44Å; I144-G146 PolarHBondContact O-N 3.32Å; G146-S173 PolarHBondContact N-O 3.36Å; G146-R174 WeakPolarHBondContact CA-O 3.15Å
147T94.5Very high86.1Confident2 Ų249.8 Ų49.81%0.01227%0.268CS..SBendtrans-104.8133.4174.4-58.60000108.9A116 N118 L119 V122 I127 I144 S145 T175A116-T147 PolarHBondContact O-OG1 3.34Å; N118-T147 PolarHBondContact N-OG1 3.5Å; L119-T147 HydrophobicContact CB-CG2 4.26Å; L119-T147 PolarHBondContact N-OG1 3.24Å; V122-T147 WeakPolarHBondContact O-CG2 3.49Å; I127-T147 HydrophobicContact CD1-CG2 3.84Å; I144-T147 WeakPolarHBondContact O-CB 3.35Å; I144-T147 PolarHBondContact O-N 3.14Å; S145-T147 PolarHBondContact O-N 2.78Å; T147-T175 WeakPolarHBondContact O-CG2 3.44Å
148S92Very high84.9Confident38 Ų3846.7 Ų46.727%0.26625%0.253SS..  trans-60.9139.5-174.2-172.90000112.2N123 L124 L150 E176N123-S148 CarbonylContact C-O 3.33Å; N123-S148 VanDerWaalsContact CA-O 3.23Å; N123-S148 WeakPolarHBondContact CA-O 3.47Å; N123-S148 VanDerWaalsContact CB-O 3.29Å; N123-S148 WeakPolarHBondContact CB-O 3.44Å; L124-S148 PolarHBondContact N-O 3.03Å; S148-L150 PolarHBondContact OG-N 3.42Å; S148-E176 WeakPolarHBondContact CA-OE2 3.31Å; S148-E176 PolarHBondContact OG-OE1 3.26Å; S148-E176 PolarHBondContact OG-OE2 2.99Å
149I89.8Confident83.6Confident1 Ų149.2 Ų49.21%0.00527%0.27CS..  trans-99.1-3.8173.162.5161000113.1L124 I144 P156 L158 T175 E176 L177L124-I149 HydrophobicContact CB-CG2 4.32Å; L124-I149 HydrophobicContact CD2-CB 4.35Å; L124-I149 HydrophobicContact CD2-CG2 3.99Å; I144-I149 HydrophobicContact CD1-CG2 3.89Å; I149-P156 HydrophobicContact CD1-CB 4.25Å; I149-L158 HydrophobicContact CB-CD2 4.48Å; I149-L158 HydrophobicContact CD1-CD1 4.23Å; I149-L158 HydrophobicContact CD1-CD2 4.44Å; I149-T175 HydrophobicContact CG2-CG2 4.2Å; I149-E176 HydrophobicContact CG1-CB 4.16Å; I149-E176 PolarHBondContact N-OE2 3.32Å; I149-E176 VanDerWaalsContact N-OE2 3.07Å; I149-L177 HydrophobicContact CD1-CB 4.01Å
150L84.6Confident82.6Confident33 Ų3350.2 Ų50.217%0.17328%0.278CS..BIsolated β-bridgetrans-82.4144.3-178.8-55.1-179.6000110.5N123 S148 P156 E176N123-L150 WeakPolarHBondContact CB-O 3.4Å; N123-L150 PolarHBondContact ND2-O 2.72Å; N123-L150 VanDerWaalsContact ND2-O 3.12Å; S148-L150 PolarHBondContact OG-N 3.42Å; L150-P156 HydrophobicContact CD2-CB 4.03Å; L150-P156 HydrophobicContact CD2-CG 4.33Å; L150-E176 HydrophobicContact CD1-CB 4.31Å; L150-E176 HydrophobicContact CD1-CG 3.93Å; L150-E176 HydrophobicContact CD2-CB 4.21Å; L150-E176 HydrophobicContact CG-CB 4.16Å; L150-E176 HydrophobicContact CG-CG 4.12Å
151C74.3Confident82Confident19 Ų1945.8 Ų45.813%0.12826%0.257CS..  trans-83.3179.5168.568.60000111.6T153 H154 L155 I157C151-T153 PolarHBondContact O-N 2.86Å; C151-T153 PolarHBondContact SG-OG1 2.84Å; C151-H154 WeakPolarHBondContact O-CA 3.41Å; C151-H154 PolarHBondContact O-N 3.03Å; C151-L155 PolarHBondContact N-O 3.37Å; C151-L155 PolarHBondContact SG-O 2.77Å; C151-I157 HydrophobicContact CB-CD1 3.76Å; C151-I157 HydrophobicContact CB-CG1 4.11Å
152E68.1Low81.3Confident183 Ų18345.3 Ų45.386%0.85525%0.254SS*.THydrogen-bonded Turntrans-58.3-29.7177.8-67.5177.2-177.200113.2H154E152-H154 PolarHBondContact O-N 2.98Å
153T74.7Confident81Confident102 Ų10249.8 Ų49.863%0.62627%0.271SS*.THydrogen-bonded Turntrans-81.711.117463.50000113.3C151 L155C151-T153 PolarHBondContact O-N 2.86Å; C151-T153 PolarHBondContact SG-OG1 2.84Å; T153-L155 PolarHBondContact O-N 3.08Å
154H66.1Low80.8Confident147 Ų14748.8 Ų48.868%0.68127%0.266SS*.SBendtrans60.816.2-177.6-63.5-81.2000115.4C151 E152C151-H154 WeakPolarHBondContact O-CA 3.41Å; C151-H154 PolarHBondContact O-N 3.03Å; E152-H154 PolarHBondContact O-N 2.98Å
155L69.3Low80.5Confident111 Ų11153.3 Ų53.358%0.58129%0.285SS*.  trans-95.7137.3174.2-66.9172.7000110.8C151 T153 I157C151-L155 PolarHBondContact N-O 3.37Å; C151-L155 PolarHBondContact SG-O 2.77Å; T153-L155 PolarHBondContact O-N 3.08Å; L155-I157 PolarHBondContact O-N 3.4Å; L155-I157 VanDerWaalsContact O-N 3.08Å
156P63.5Low80.5Confident46 Ų4656.4 Ų56.430%0.29930%0.302SS..BIsolated β-bridgetrans-72.6100.6171.126.9-29.6000109.8I149 L150 L158I149-P156 HydrophobicContact CD1-CB 4.25Å; L150-P156 HydrophobicContact CD2-CB 4.03Å; L150-P156 HydrophobicContact CD2-CG 4.33Å; P156-L158 VanDerWaalsContact C-N 3.31Å; P156-L158 HydrophobicContact CB-CD1 4.37Å; P156-L158 HydrophobicContact CB-CG 4.43Å; P156-L158 PolarHBondContact O-N 3.48Å; P156-L158 VanDerWaalsContact O-N 3.12Å
157I66.7Low80.6Confident81 Ų8155.2 Ų55.242%0.41529%0.289SS..  trans-85.775.5172.9-52.8176.6000108.7N125 C151 L155 V159N125-I157 PolarHBondContact OD1-O 3.17Å; N125-I157 VanDerWaalsContact OD1-O 3.13Å; C151-I157 HydrophobicContact CB-CD1 3.76Å; C151-I157 HydrophobicContact CB-CG1 4.11Å; L155-I157 PolarHBondContact O-N 3.4Å; L155-I157 VanDerWaalsContact O-N 3.08Å; I157-V159 VanDerWaalsContact C-N 3.35Å
158L68.5Low80.7Confident2 Ų256.6 Ų56.61%0.0130%0.299CS..G310 helixtrans-84.7-6.6-179.9-72.2165.4000114.3L124 I149 P156 A160 L161 C181 I184L124-L158 HydrophobicContact CD2-CD2 3.62Å; I149-L158 HydrophobicContact CB-CD2 4.48Å; I149-L158 HydrophobicContact CD1-CD1 4.23Å; I149-L158 HydrophobicContact CD1-CD2 4.44Å; P156-L158 VanDerWaalsContact C-N 3.31Å; P156-L158 HydrophobicContact CB-CD1 4.37Å; P156-L158 HydrophobicContact CB-CG 4.43Å; P156-L158 PolarHBondContact O-N 3.48Å; P156-L158 VanDerWaalsContact O-N 3.12Å; L158-A160 PolarHBondContact O-N 3.3Å; L158-L161 HydrophobicContact CD2-CD1 3.35Å; L158-L161 HydrophobicContact CD2-CG 3.93Å; L158-L161 WeakPolarHBondContact O-CB 3.42Å; L158-L161 PolarHBondContact O-N 3.43Å; L158-C181 HydrophobicContact CD1-CB 3.12Å; L158-C181 WeakPolarHBondContact CD1-SG 3.14Å; L158-I184 HydrophobicContact CB-CD1 4.25Å; L158-I184 HydrophobicContact CB-CG2 4.14Å
159V68.6Low81Confident104 Ų10456 Ų5663%0.6329%0.294SS*.G310 helixtrans-53.3-29.9173.5-178.60000111I157 L161 G162I157-V159 VanDerWaalsContact C-N 3.35Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 2.92Å; V159-G162 PolarHBondContact O-N 3.02Å
160A76.8Confident81.4Confident20 Ų2056 Ų5617%0.16529%0.294CS..G310 helixtrans-67.2-28.1175.500000113.9I128 L158 G162 R163I128-A160 HydrophobicContact CD1-CB 3.65Å; L158-A160 PolarHBondContact O-N 3.3Å; A160-G162 PolarHBondContact O-N 3.34Å; A160-R163 VanDerWaalsContact O-CB 3.31Å; A160-R163 WeakPolarHBondContact O-CB 3.42Å; A160-R163 WeakPolarHBondContact O-CG 3.46Å; A160-R163 PolarHBondContact O-N 2.75Å
161L84.2Confident82Confident4 Ų455.2 Ų55.22%0.02129%0.29CS..G310 helixtrans-63.6-34.3173.6-77.6-177000111.6L124 I128 L142 L158 V159 R163 F164 L170 I185 L189L124-L161 HydrophobicContact CD1-CD2 3.83Å; L124-L161 HydrophobicContact CD2-CD1 4Å; L124-L161 HydrophobicContact CD2-CD2 3.79Å; L124-L161 HydrophobicContact CD2-CG 3.78Å; L124-L161 HydrophobicContact CG-CD2 4.28Å; I128-L161 HydrophobicContact CD1-CD2 4.41Å; L142-L161 HydrophobicContact CD2-CD2 3.88Å; L158-L161 HydrophobicContact CD2-CD1 3.35Å; L158-L161 HydrophobicContact CD2-CG 3.93Å; L158-L161 WeakPolarHBondContact O-CB 3.42Å; L158-L161 PolarHBondContact O-N 3.43Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 2.92Å; L161-R163 PolarHBondContact O-N 2.83Å; L161-F164 HydrophobicContact CD2-CD2 4Å; L161-F164 HydrophobicContact CD2-CE2 3.93Å; L161-F164 WeakPolarHBondContact O-CD2 3.41Å; L161-F164 PolarHBondContact O-N 2.89Å; L161-L170 HydrophobicContact CD1-CD2 4.4Å; L161-I185 HydrophobicContact CD1-CD1 4.43Å; L161-I185 HydrophobicContact CD1-CG1 4.2Å; L161-L189 VanDerWaalsContact O-CD2 3.28Å; L161-L189 WeakPolarHBondContact O-CD2 3.39Å
162G84.9Confident83Confident6 Ų654.4 Ų54.46%0.06228%0.284CS..G310 helixtrans-59.3-11.4177.700000114.4V159 A160 F164 K165V159-G162 PolarHBondContact O-N 3.02Å; A160-G162 PolarHBondContact O-N 3.34Å; G162-F164 VanDerWaalsContact C-N 3.33Å; G162-K165 WeakPolarHBondContact O-CD 3.33Å; G162-K165 WeakPolarHBondContact O-CE 3.28Å; G162-K165 PolarHBondContact O-NZ 3.2Å
163R89.5Confident84.4Confident95 Ų9546 Ų4636%0.35825%0.246SC..G310 helixtrans-71.8-23.8172.1-59.5-177.664.7-164.2-4.3113.3E133 V136 A160 L161 K165E133-R163 IonicContact OE1-NH2 2.66Å; E133-R163 PolarHBondContact OE1-NH2 3.21Å; E133-R163 IonicContact OE2-CZ 3.8Å; E133-R163 IonicContact OE2-NH2 2.74Å; E133-R163 PolarHBondContact OE2-NH2 2.96Å; V136-R163 HydrophobicContact CG1-CB 3.58Å; A160-R163 VanDerWaalsContact O-CB 3.31Å; A160-R163 WeakPolarHBondContact O-CB 3.42Å; A160-R163 WeakPolarHBondContact O-CG 3.46Å; A160-R163 PolarHBondContact O-N 2.75Å; L161-R163 PolarHBondContact O-N 2.83Å; R163-K165 VanDerWaalsContact C-N 3.28Å; R163-K165 PolarHBondContact O-N 3.38Å
164F93.5Very high85.4Confident1 Ų145.8 Ų45.80%0.00423%0.234CC..  trans-80.272.5179.7-60-75.3000111.9I128 L131 V136 L139 L142 L161 G162 N166 L167I128-F164 HydrophobicContact CD1-CE2 3.93Å; I128-F164 HydrophobicContact CD1-CZ 4.48Å; I128-F164 HydrophobicContact CG1-CE2 3.74Å; I128-F164 HydrophobicContact CG1-CZ 3.8Å; L131-F164 HydrophobicContact CD1-CE1 4.14Å; L131-F164 HydrophobicContact CD1-CZ 4.15Å; V136-F164 HydrophobicContact CB-CE1 4.41Å; V136-F164 HydrophobicContact CG1-CD1 4.34Å; V136-F164 HydrophobicContact CG1-CE1 4.33Å; V136-F164 HydrophobicContact CG2-CE1 4.42Å; V136-F164 WeakPolarHBondContact O-CA 3.37Å; V136-F164 WeakPolarHBondContact O-CD1 2.82Å; L139-F164 HydrophobicContact CB-CD1 3.87Å; L139-F164 HydrophobicContact CB-CE1 4.16Å; L139-F164 HydrophobicContact CD2-CD1 4Å; L139-F164 HydrophobicContact CD2-CE1 3.7Å; L139-F164 HydrophobicContact CD2-CZ 4.33Å; L142-F164 HydrophobicContact CD2-CD2 4.31Å; L142-F164 HydrophobicContact CD2-CE2 3.87Å; L142-F164 HydrophobicContact CD2-CZ 4.25Å; L161-F164 HydrophobicContact CD2-CD2 4Å; L161-F164 HydrophobicContact CD2-CE2 3.93Å; L161-F164 WeakPolarHBondContact O-CD2 3.41Å; L161-F164 PolarHBondContact O-N 2.89Å; G162-F164 VanDerWaalsContact C-N 3.33Å; F164-N166 PolarHBondContact O-N 2.84Å; F164-L167 HydrophobicContact CB-CB 3.76Å; F164-L167 HydrophobicContact CB-CD1 4.46Å; F164-L167 HydrophobicContact CB-CD2 4.27Å; F164-L167 HydrophobicContact CB-CG 4.39Å; F164-L167 WeakPolarHBondContact O-CB 3.31Å; F164-L167 PolarHBondContact O-N 3.22Å
165K89.9Confident86.7Confident95 Ų9539.1 Ų39.141%0.41320%0.204SC..THydrogen-bonded Turntrans-61.9-27.4-173.3-61.7-53.1-174.3-168.50114.3G162 R163 N191G162-K165 WeakPolarHBondContact O-CD 3.33Å; G162-K165 WeakPolarHBondContact O-CE 3.28Å; G162-K165 PolarHBondContact O-NZ 3.2Å; R163-K165 VanDerWaalsContact C-N 3.28Å; R163-K165 PolarHBondContact O-N 3.38Å; K165-N191 PolarHBondContact O-ND2 3.43Å
166N95.6Very high87.8Confident69 Ų6936.2 Ų36.237%0.36919%0.187SC..THydrogen-bonded Turntrans-98.910.3178.2-71.9-48.4000114Q137 L139 F164 S168Q137-N166 PolarHBondContact O-ND2 3.31Å; L139-N166 CarbonylContact O-C 3.51Å; F164-N166 PolarHBondContact O-N 2.84Å; N166-S168 PolarHBondContact O-N 3.41Å
167L96.9Very high89.2Confident0 Ų034.1 Ų34.10%017%0.173CC..  trans-67.8119.3-178.2-158.669.2000111L139 L142 F164 L170 L189 N191 L192L139-L167 HydrophobicContact CD2-CD1 4.3Å; L139-L167 HydrophobicContact CG-CD1 4.37Å; L139-L167 WeakPolarHBondContact O-CA 3.33Å; L139-L167 PolarHBondContact O-N 3.42Å; L142-L167 HydrophobicContact CB-CD1 3.66Å; L142-L167 HydrophobicContact CB-CD2 4.12Å; F164-L167 HydrophobicContact CB-CB 3.76Å; F164-L167 HydrophobicContact CB-CD1 4.46Å; F164-L167 HydrophobicContact CB-CD2 4.27Å; F164-L167 HydrophobicContact CB-CG 4.39Å; F164-L167 WeakPolarHBondContact O-CB 3.31Å; F164-L167 PolarHBondContact O-N 3.22Å; L167-L170 HydrophobicContact CD2-CB 4.14Å; L167-L170 HydrophobicContact CD2-CD1 4.2Å; L167-L189 HydrophobicContact CD2-CD1 3.99Å; L167-N191 CarbonylContact O-C 3.52Å; L167-L192 WeakPolarHBondContact O-CA 3.45Å; L167-L192 PolarHBondContact O-N 3.13Å
168S97.7Very high90.5Very high32 Ų3231.9 Ų31.922%0.22417%0.165CC..  trans-108.7-25.7-179.669.90000112.9M140 N166 N191 R193 Y194M140-S168 PolarHBondContact O-N 3.3Å; M140-S168 PolarHBondContact O-OG 3.05Å; N166-S168 PolarHBondContact O-N 3.41Å; S168-N191 WeakPolarHBondContact CA-O 3.38Å; S168-R193 PolarHBondContact O-N 3.48Å; S168-Y194 PolarHBondContact O-N 2.95Å
169V98.3Very high91.6Very high25 Ų2533.5 Ų33.515%0.15218%0.175CC..EExtended strand (participates in β ladder)trans-128.8121.1-179.9-175.70000109.2L3 M140 C141 L142 Y194L3-V169 HydrophobicContact CD1-CG1 4.22Å; M140-V169 PolarHBondContact O-N 3.3Å; C141-V169 WeakPolarHBondContact CA-O 3.32Å; C141-V169 HydrophobicContact CB-CB 4.09Å; L142-V169 PolarHBondContact N-O 3.08Å; V169-Y194 WeakPolarHBondContact CA-O 3.46Å; V169-Y194 HydrophobicContact CG2-CD2 4.01Å; V169-Y194 HydrophobicContact CG2-CG 4.4Å
170L97.5Very high92.6Very high1 Ų135.5 Ų35.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-123.3121.5173.2178.960.6000110.1L142 L161 L167 A172 I185 L189 L192 Y194 L195 N196L142-L170 HydrophobicContact CB-CD1 4.28Å; L142-L170 HydrophobicContact CD2-CD1 4.2Å; L142-L170 HydrophobicContact CG-CD1 4.3Å; L142-L170 WeakPolarHBondContact O-CA 3.42Å; L161-L170 HydrophobicContact CD1-CD2 4.4Å; L167-L170 HydrophobicContact CD2-CB 4.14Å; L167-L170 HydrophobicContact CD2-CD1 4.2Å; L170-A172 HydrophobicContact CG-CB 4.4Å; L170-I185 HydrophobicContact CD2-CD1 3.9Å; L170-I185 HydrophobicContact CD2-CG1 4.2Å; L170-I185 HydrophobicContact CD2-CG2 4.35Å; L170-L189 HydrophobicContact CD2-CD1 3.88Å; L170-L192 HydrophobicContact CB-CD1 3.69Å; L170-Y194 PolarHBondContact N-O 3.29Å; L170-L195 HydrophobicContact CB-CD1 4.1Å; L170-L195 HydrophobicContact CD2-CD1 4.02Å; L170-L195 HydrophobicContact CG-CD1 4.13Å; L170-L195 CarbonylContact O-C 3.43Å; L170-L195 WeakPolarHBondContact O-CA 3.44Å; L170-N196 PolarHBondContact O-N 2.58Å
171N97.5Very high93.3Very high16 Ų1634.7 Ų34.79%0.08617%0.171CC..EExtended strand (participates in β ladder)trans-110.9105.6166.4-177.8-4.8000109.7L142 N143 I144 S173 N196L142-N171 PolarHBondContact O-N 3.49Å; N143-N171 HydrophobicContact CB-CB 4.03Å; N143-N171 PolarHBondContact OD1-ND2 3.06Å; I144-N171 WeakPolarHBondContact CG1-O 3.42Å; I144-N171 PolarHBondContact N-O 2.85Å; N171-S173 VanDerWaalsContact OD1-CB 3.29Å; N171-S173 WeakPolarHBondContact OD1-CB 3.42Å; N171-S173 PolarHBondContact OD1-N 3.11Å; N171-S173 PolarHBondContact OD1-OG 3.43Å; N171-N196 HydrophobicContact CB-CB 4.17Å
172A95.9Very high93.8Very high2 Ų234.5 Ų34.52%0.01717%0.17CC..  trans-113.725176.800000111.5I144 L170 T175 L177 N196 T200I144-A172 HydrophobicContact CD1-CB 4.24Å; I144-A172 HydrophobicContact CG1-CB 4.27Å; L170-A172 HydrophobicContact CG-CB 4.4Å; A172-T175 WeakPolarHBondContact O-CB 3.35Å; A172-T175 WeakPolarHBondContact O-CG2 3.38Å; A172-T175 PolarHBondContact O-OG1 2.92Å; A172-L177 HydrophobicContact CB-CD1 3.52Å; A172-N196 CarbonylContact C-O 3.58Å; A172-N196 PolarHBondContact N-O 2.72Å; A172-T200 WeakPolarHBondContact O-CG2 3.34Å
173S96.4Very high94.2Very high8 Ų837.4 Ų37.46%0.05618%0.181CC..THydrogen-bonded Turntrans-63.7151.7179.460.40000112.6S145 G146 N171 T175 N196 S198S145-S173 CarbonylContact C-O 3.58Å; S145-S173 WeakPolarHBondContact CA-O 3.43Å; S145-S173 WeakPolarHBondContact CB-OG 3.31Å; S145-S173 PolarHBondContact OG-OG 3.38Å; G146-S173 PolarHBondContact N-O 3.36Å; N171-S173 VanDerWaalsContact OD1-CB 3.29Å; N171-S173 WeakPolarHBondContact OD1-CB 3.42Å; N171-S173 PolarHBondContact OD1-N 3.11Å; N171-S173 PolarHBondContact OD1-OG 3.43Å; S173-T175 PolarHBondContact O-N 3.46Å; S173-N196 PolarHBondContact N-O 3.46Å; S173-S198 CarbonylContact C-O 3.51Å; S173-S198 WeakPolarHBondContact CA-O 3.37Å; S173-S198 WeakPolarHBondContact CB-O 3.45Å
174R95.3Very high94.3Very high96 Ų9634.9 Ų34.936%0.36218%0.175SC..THydrogen-bonded Turntrans57.233.3-179.8-50.6175.6-172.3175.61.9113.4G146 S198 R199 D351G146-R174 WeakPolarHBondContact CA-O 3.15Å; R174-S198 PolarHBondContact N-O 3.47Å; R174-R199 VanDerWaalsContact CA-O 3.29Å; R174-R199 WeakPolarHBondContact CA-O 3.44Å; R174-R199 HydrophobicContact CG-CB 3.98Å; R174-R199 PolarHBondContact N-O 3.46Å; R174-R199 VanDerWaalsContact NH2-NH1 3.13Å; R174-D351 IonicContact CZ-OD2 3.96Å; R174-D351 IonicContact NH2-OD2 3.11Å; R174-D351 PolarHBondContact NH2-OD2 3.22Å
175T94.2Very high94.3Very high8 Ų835 Ų355%0.04918%0.175CC..SBendtrans-116.5174.9174.668.40000110.3T147 I149 A172 S173 L177T147-T175 WeakPolarHBondContact O-CG2 3.44Å; I149-T175 HydrophobicContact CG2-CG2 4.2Å; A172-T175 WeakPolarHBondContact O-CB 3.35Å; A172-T175 WeakPolarHBondContact O-CG2 3.38Å; A172-T175 PolarHBondContact O-OG1 2.92Å; S173-T175 PolarHBondContact O-N 3.46Å; T175-L177 PolarHBondContact O-N 3.17Å; T175-L177 VanDerWaalsContact O-N 3.16Å; T175-L177 WeakPolarHBondContact OG1-CB 3.31Å; T175-L177 PolarHBondContact OG1-N 2.87Å
176E92.7Very high94.5Very high50 Ų5030.6 Ų30.623%0.23416%0.156CC..  trans-77.713.2177.9-52.882.9179.200113.9S148 I149 L150 S178S148-E176 WeakPolarHBondContact CA-OE2 3.31Å; S148-E176 PolarHBondContact OG-OE1 3.26Å; S148-E176 PolarHBondContact OG-OE2 2.99Å; I149-E176 HydrophobicContact CG1-CB 4.16Å; I149-E176 PolarHBondContact N-OE2 3.32Å; I149-E176 VanDerWaalsContact N-OE2 3.07Å; L150-E176 HydrophobicContact CD1-CB 4.31Å; L150-E176 HydrophobicContact CD1-CG 3.93Å; L150-E176 HydrophobicContact CD2-CB 4.21Å; L150-E176 HydrophobicContact CG-CB 4.16Å; L150-E176 HydrophobicContact CG-CG 4.12Å; E176-S178 PolarHBondContact O-N 3.09Å
177L93.5Very high94.4Very high2 Ų230.8 Ų30.81%0.0116%0.158CC..  trans-54.4122.8-177.9-168157.7000111.1I149 A172 T175 C181 L182 I185 I197 T200 R201 V202I149-L177 HydrophobicContact CD1-CB 4.01Å; A172-L177 HydrophobicContact CB-CD1 3.52Å; T175-L177 PolarHBondContact O-N 3.17Å; T175-L177 VanDerWaalsContact O-N 3.16Å; T175-L177 WeakPolarHBondContact OG1-CB 3.31Å; T175-L177 PolarHBondContact OG1-N 2.87Å; L177-C181 HydrophobicContact CD2-CB 4.19Å; L177-C181 HydrophobicContact CG-CB 3.82Å; L177-L182 HydrophobicContact CD2-CB 4.34Å; L177-I185 HydrophobicContact CD1-CD1 3.57Å; L177-I185 HydrophobicContact CG-CD1 4.39Å; L177-I197 HydrophobicContact CD1-CG2 4.12Å; L177-I197 HydrophobicContact CD2-CG2 4.13Å; L177-T200 HydrophobicContact CB-CG2 3.94Å; L177-T200 WeakPolarHBondContact O-CB 3.43Å; L177-R201 CarbonylContact O-C 3.57Å; L177-R201 WeakPolarHBondContact O-CA 3.35Å; L177-R201 PolarHBondContact O-N 3.39Å; L177-V202 HydrophobicContact CD2-CG2 3.18Å; L177-V202 PolarHBondContact O-N 3.24Å
178S92.2Very high94.1Very high33 Ų3333.3 Ų33.323%0.23117%0.171CC..BIsolated β-bridgetrans-105.8173.3179.170.20000112E176 Q180 C181 L182E176-S178 PolarHBondContact O-N 3.09Å; S178-Q180 VanDerWaalsContact C-N 3.26Å; S178-Q180 PolarHBondContact O-N 3.31Å; S178-Q180 PolarHBondContact OG-N 3.31Å; S178-C181 WeakPolarHBondContact O-CA 3.32Å; S178-C181 WeakPolarHBondContact O-CB 3.42Å; S178-C181 PolarHBondContact O-N 2.95Å; S178-C181 VanDerWaalsContact O-N 3.07Å; S178-C181 PolarHBondContact OG-N 2.84Å; S178-C181 PolarHBondContact OG-SG 3.29Å; S178-L182 PolarHBondContact O-N 3.24Å
179T92.5Very high93.9Very high36 Ų3631.9 Ų31.922%0.22116%0.161CC..Hα-helixtrans-55.1-40172.5-57.70000112.5C181 L182 Q183 T203 D204 P207T179-C181 VanDerWaalsContact C-N 3.32Å; T179-C181 PolarHBondContact O-N 2.97Å; T179-L182 VanDerWaalsContact O-CB 3.31Å; T179-L182 WeakPolarHBondContact O-CB 3.31Å; T179-L182 PolarHBondContact O-N 3.41Å; T179-L182 VanDerWaalsContact O-N 3.16Å; T179-Q183 PolarHBondContact O-N 2.71Å; T179-Q183 VanDerWaalsContact O-N 3.13Å; T179-T203 PolarHBondContact OG1-N 3.2Å; T179-T203 PolarHBondContact OG1-OG1 3.03Å; T179-D204 HydrophobicContact CG2-CB 3.8Å; T179-D204 WeakPolarHBondContact CG2-O 3.45Å; T179-D204 PolarHBondContact OG1-N 2.67Å; T179-P207 HydrophobicContact CG2-CG 4.36Å
180Q90.4Very high93.7Very high147 Ų14735.6 Ų35.669%0.68718%0.18SC*.Hα-helixtrans-64.3-38.4176.6-174.1-177.77.100111.9S178 L182 Q183 I184S178-Q180 VanDerWaalsContact C-N 3.26Å; S178-Q180 PolarHBondContact O-N 3.31Å; S178-Q180 PolarHBondContact OG-N 3.31Å; Q180-L182 VanDerWaalsContact C-N 3.28Å; Q180-L182 PolarHBondContact O-N 2.9Å; Q180-Q183 WeakPolarHBondContact O-CB 3.41Å; Q180-Q183 PolarHBondContact O-N 2.94Å; Q180-I184 PolarHBondContact O-N 3.31Å
181C91.2Very high93.6Very high3 Ų339 Ų392%0.0220%0.198CC..Hα-helixtrans-62.6-38.5174.4-63.10000111.7L158 L177 S178 T179 Q183 I184 I185L158-C181 HydrophobicContact CD1-CB 3.12Å; L158-C181 WeakPolarHBondContact CD1-SG 3.14Å; L177-C181 HydrophobicContact CD2-CB 4.19Å; L177-C181 HydrophobicContact CG-CB 3.82Å; S178-C181 WeakPolarHBondContact O-CA 3.32Å; S178-C181 WeakPolarHBondContact O-CB 3.42Å; S178-C181 PolarHBondContact O-N 2.95Å; S178-C181 VanDerWaalsContact O-N 3.07Å; S178-C181 PolarHBondContact OG-N 2.84Å; S178-C181 PolarHBondContact OG-SG 3.29Å; T179-C181 VanDerWaalsContact C-N 3.32Å; T179-C181 PolarHBondContact O-N 2.97Å; C181-Q183 VanDerWaalsContact C-N 3.31Å; C181-Q183 PolarHBondContact O-N 2.6Å; C181-I184 PolarHBondContact O-N 3.19Å; C181-I185 WeakPolarHBondContact O-CG1 3.16Å; C181-I185 PolarHBondContact O-N 3.47Å; C181-I185 VanDerWaalsContact O-N 3.08Å
182L94.2Very high93.5Very high0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-64.8-35.8178.2-168.261.9000112.1L177 S178 T179 Q180 I185 A186 L195 I197 V202 I205 P207 L208L177-L182 HydrophobicContact CD2-CB 4.34Å; S178-L182 PolarHBondContact O-N 3.24Å; T179-L182 VanDerWaalsContact O-CB 3.31Å; T179-L182 WeakPolarHBondContact O-CB 3.31Å; T179-L182 PolarHBondContact O-N 3.41Å; T179-L182 VanDerWaalsContact O-N 3.16Å; Q180-L182 VanDerWaalsContact C-N 3.28Å; Q180-L182 PolarHBondContact O-N 2.9Å; L182-I185 WeakPolarHBondContact O-CB 3.23Å; L182-I185 PolarHBondContact O-N 3.28Å; L182-A186 WeakPolarHBondContact O-CB 3.32Å; L182-A186 PolarHBondContact O-N 3.05Å; L182-L195 HydrophobicContact CD1-CD2 3.71Å; L182-I197 HydrophobicContact CD1-CG2 4.3Å; L182-I197 HydrophobicContact CD2-CD1 4.44Å; L182-V202 HydrophobicContact CD2-CG1 3.82Å; L182-V202 HydrophobicContact CD2-CG2 4.46Å; L182-I205 HydrophobicContact CD2-CB 4.38Å; L182-I205 HydrophobicContact CD2-CG2 4.2Å; L182-P207 HydrophobicContact CG-CB 4.32Å; L182-L208 HydrophobicContact CD1-CD2 3.78Å; L182-L208 HydrophobicContact CD1-CG 4.4Å; L182-L208 HydrophobicContact CD2-CD1 4.48Å; L182-L208 HydrophobicContact CD2-CD2 4.34Å; L182-L208 HydrophobicContact CD2-CG 4.09Å; L182-L208 HydrophobicContact CG-CD2 4.08Å; L182-L208 HydrophobicContact CG-CG 4.34Å
183Q93.1Very high93.7Very high66 Ų6644.7 Ų44.731%0.30822%0.217SC..Hα-helixtrans-60.2-49.4173.3-170.963.26000111.7T179 Q180 C181 I185 A186 D187 P207 N210T179-Q183 PolarHBondContact O-N 2.71Å; T179-Q183 VanDerWaalsContact O-N 3.13Å; Q180-Q183 WeakPolarHBondContact O-CB 3.41Å; Q180-Q183 PolarHBondContact O-N 2.94Å; C181-Q183 VanDerWaalsContact C-N 3.31Å; C181-Q183 PolarHBondContact O-N 2.6Å; Q183-I185 VanDerWaalsContact C-N 3.28Å; Q183-I185 PolarHBondContact O-N 2.71Å; Q183-A186 PolarHBondContact O-N 2.6Å; Q183-A186 VanDerWaalsContact O-N 3.12Å; Q183-D187 WeakPolarHBondContact CG-OD2 3.33Å; Q183-D187 VanDerWaalsContact NE2-CG 3.26Å; Q183-D187 PolarHBondContact NE2-OD1 3.22Å; Q183-D187 PolarHBondContact NE2-OD2 3.43Å; Q183-D187 WeakPolarHBondContact O-CB 3.23Å; Q183-D187 PolarHBondContact O-N 3.06Å; Q183-P207 HydrophobicContact CB-CB 4.21Å; Q183-P207 HydrophobicContact CB-CG 4.27Å; Q183-P207 VanDerWaalsContact OE1-CB 3.29Å; Q183-N210 PolarHBondContact NE2-ND2 2.78Å; Q183-N210 VanDerWaalsContact NE2-ND2 3.12Å
184I91.4Very high93.8Very high43 Ų4347.6 Ų47.622%0.22123%0.228CC..Hα-helixtrans-58.2-43.2176.5-61.2169.5000110.8L158 Q180 C181 A186 D187 D188L158-I184 HydrophobicContact CB-CD1 4.25Å; L158-I184 HydrophobicContact CB-CG2 4.14Å; Q180-I184 PolarHBondContact O-N 3.31Å; C181-I184 PolarHBondContact O-N 3.19Å; I184-A186 PolarHBondContact O-N 2.86Å; I184-D187 PolarHBondContact O-N 2.82Å; I184-D188 WeakPolarHBondContact CG2-OD2 3.38Å; I184-D188 VanDerWaalsContact O-CB 3.31Å; I184-D188 WeakPolarHBondContact O-CB 3.37Å; I184-D188 PolarHBondContact O-N 3.05Å
185I93.6Very high93.9Very high2 Ų243.1 Ų43.11%0.0121%0.211CC..Hα-helixtrans-60.6-44.8176.8-77.5166.4000111.7L161 L170 L177 C181 L182 Q183 D187 L189 L192 L195L161-I185 HydrophobicContact CD1-CD1 4.43Å; L161-I185 HydrophobicContact CD1-CG1 4.2Å; L170-I185 HydrophobicContact CD2-CD1 3.9Å; L170-I185 HydrophobicContact CD2-CG1 4.2Å; L170-I185 HydrophobicContact CD2-CG2 4.35Å; L177-I185 HydrophobicContact CD1-CD1 3.57Å; L177-I185 HydrophobicContact CG-CD1 4.39Å; C181-I185 WeakPolarHBondContact O-CG1 3.16Å; C181-I185 PolarHBondContact O-N 3.47Å; C181-I185 VanDerWaalsContact O-N 3.08Å; L182-I185 WeakPolarHBondContact O-CB 3.23Å; L182-I185 PolarHBondContact O-N 3.28Å; Q183-I185 VanDerWaalsContact C-N 3.28Å; Q183-I185 PolarHBondContact O-N 2.71Å; I185-D187 VanDerWaalsContact C-N 3.34Å; I185-L189 HydrophobicContact CG2-CD1 4.12Å; I185-L189 VanDerWaalsContact O-CB 3.27Å; I185-L189 WeakPolarHBondContact O-CB 3.27Å; I185-L189 PolarHBondContact O-N 3.49Å; I185-L189 VanDerWaalsContact O-N 3.14Å; I185-L192 HydrophobicContact CG2-CD2 3.74Å; I185-L195 HydrophobicContact CG2-CD2 4.49Å
186A94Very high94.1Very high3 Ų343.7 Ų43.73%0.02521%0.214CC..Hα-helixtrans-65.2-39.3-179.600000112.1L182 Q183 I184 P207 N210 I211 R214L182-A186 WeakPolarHBondContact O-CB 3.32Å; L182-A186 PolarHBondContact O-N 3.05Å; Q183-A186 PolarHBondContact O-N 2.6Å; Q183-A186 VanDerWaalsContact O-N 3.12Å; I184-A186 PolarHBondContact O-N 2.86Å; A186-P207 HydrophobicContact CB-CB 4.41Å; A186-P207 VanDerWaalsContact CB-O 3.26Å; A186-P207 WeakPolarHBondContact CB-O 3.22Å; A186-N210 HydrophobicContact CB-CB 4.39Å; A186-I211 HydrophobicContact CB-CG2 3.89Å; A186-I211 WeakPolarHBondContact O-CG2 3.44Å; A186-R214 PolarHBondContact O-NH2 3.37Å; A186-R214 VanDerWaalsContact O-NH2 3.14Å
187D92.9Very high94.3Very high74 Ų7441.3 Ų41.340%0.39620%0.203SC..Hα-helixtrans-79.7-41.7-175.9-62-22000112.1Q183 I184 I185 L190 N210Q183-D187 WeakPolarHBondContact CG-OD2 3.33Å; Q183-D187 VanDerWaalsContact NE2-CG 3.26Å; Q183-D187 PolarHBondContact NE2-OD1 3.22Å; Q183-D187 PolarHBondContact NE2-OD2 3.43Å; Q183-D187 WeakPolarHBondContact O-CB 3.23Å; Q183-D187 PolarHBondContact O-N 3.06Å; I184-D187 PolarHBondContact O-N 2.82Å; I185-D187 VanDerWaalsContact C-N 3.34Å; D187-L190 WeakPolarHBondContact O-CD2 3.4Å; D187-N210 PolarHBondContact OD1-ND2 2.78Å
188D91.8Very high94.5Very high53 Ų5341.7 Ų41.728%0.28321%0.206SC..Hα-helixtrans-91.5-29.8-171.9-69.7-16.5000114.3I184 L190I184-D188 WeakPolarHBondContact CG2-OD2 3.38Å; I184-D188 VanDerWaalsContact O-CB 3.31Å; I184-D188 WeakPolarHBondContact O-CB 3.37Å; I184-D188 PolarHBondContact O-N 3.05Å; D188-L190 PolarHBondContact O-N 3.31Å
189L94.2Very high94.6Very high2 Ų243.1 Ų43.11%0.0121%0.206CC..  trans-91.680.7-177.2-56.1-173.8000111.3L161 L167 L170 I185 N191 L192 R214L161-L189 VanDerWaalsContact O-CD2 3.28Å; L161-L189 WeakPolarHBondContact O-CD2 3.39Å; L167-L189 HydrophobicContact CD2-CD1 3.99Å; L170-L189 HydrophobicContact CD2-CD1 3.88Å; I185-L189 HydrophobicContact CG2-CD1 4.12Å; I185-L189 VanDerWaalsContact O-CB 3.27Å; I185-L189 WeakPolarHBondContact O-CB 3.27Å; I185-L189 PolarHBondContact O-N 3.49Å; I185-L189 VanDerWaalsContact O-N 3.14Å; L189-N191 VanDerWaalsContact C-N 3.27Å; L189-N191 PolarHBondContact O-N 3.17Å; L189-L192 HydrophobicContact CB-CB 3.93Å; L189-L192 HydrophobicContact CB-CD2 4.49Å; L189-L192 HydrophobicContact CD1-CD1 4.36Å; L189-L192 HydrophobicContact CD1-CD2 4.35Å; L189-L192 WeakPolarHBondContact O-CB 3.5Å; L189-L192 PolarHBondContact O-N 2.94Å; L189-R214 PolarHBondContact O-NH2 3.29Å; L189-R214 VanDerWaalsContact O-NH2 3.07Å
190L92.6Very high94.8Very high103 Ų10341.7 Ų41.754%0.53920%0.197SC..THydrogen-bonded Turntrans-65.5-24.7-172.6-56.8-179.4000114.4D187 D188 R214D187-L190 WeakPolarHBondContact O-CD2 3.4Å; D188-L190 PolarHBondContact O-N 3.31Å; L190-R214 WeakPolarHBondContact O-CD 3.29Å; L190-R214 PolarHBondContact O-NE 3.49Å
191N95.5Very high94.9Very high72 Ų7241.5 Ų41.539%0.38519%0.19SC..THydrogen-bonded Turntrans-104.97.6-178.4-75.4-49.8000114K165 L167 S168 L189 R193K165-N191 PolarHBondContact O-ND2 3.43Å; L167-N191 CarbonylContact O-C 3.52Å; S168-N191 WeakPolarHBondContact CA-O 3.38Å; L189-N191 VanDerWaalsContact C-N 3.27Å; L189-N191 PolarHBondContact O-N 3.17Å; N191-R193 PolarHBondContact O-N 3.16Å
192L96.9Very high95.1Very high0 Ų041.3 Ų41.30%019%0.189CC..  trans-65.2125.3-176.4-170.269.7000111.4L167 L170 I185 L189 L195 I211L167-L192 WeakPolarHBondContact O-CA 3.45Å; L167-L192 PolarHBondContact O-N 3.13Å; L170-L192 HydrophobicContact CB-CD1 3.69Å; I185-L192 HydrophobicContact CG2-CD2 3.74Å; L189-L192 HydrophobicContact CB-CB 3.93Å; L189-L192 HydrophobicContact CB-CD2 4.49Å; L189-L192 HydrophobicContact CD1-CD1 4.36Å; L189-L192 HydrophobicContact CD1-CD2 4.35Å; L189-L192 WeakPolarHBondContact O-CB 3.5Å; L189-L192 PolarHBondContact O-N 2.94Å; L192-L195 HydrophobicContact CD2-CB 4.27Å; L192-L195 HydrophobicContact CD2-CD1 4.33Å; L192-L195 HydrophobicContact CD2-CD2 4.45Å; L192-I211 HydrophobicContact CD2-CD1 4.17Å
193R98.1Very high95Very high137 Ų13744.3 Ų44.352%0.51721%0.207SC..  trans-119.9-27.7179-64.4-176-177.7-177.8-1113.4S168 N191 N216 G217S168-R193 PolarHBondContact O-N 3.48Å; N191-R193 PolarHBondContact O-N 3.16Å; R193-N216 WeakPolarHBondContact O-CA 3.12Å; R193-N216 PolarHBondContact O-N 3.19Å; R193-G217 PolarHBondContact O-N 3.11Å
194Y98.5Very high95.1Very high69 Ų6942.8 Ų42.827%0.27120%0.201SC..EExtended strand (participates in β ladder)trans-130.5123.8-179.9-64.5-89.6000110.3S168 V169 L170 N216 G217 I246S168-Y194 PolarHBondContact O-N 2.95Å; V169-Y194 WeakPolarHBondContact CA-O 3.46Å; V169-Y194 HydrophobicContact CG2-CD2 4.01Å; V169-Y194 HydrophobicContact CG2-CG 4.4Å; L170-Y194 PolarHBondContact N-O 3.29Å; Y194-N216 HydrophobicContact CE1-CB 4.24Å; Y194-N216 HydrophobicContact CE2-CB 4.39Å; Y194-G217 CarbonylContact C-O 3.18Å; Y194-G217 WeakPolarHBondContact CA-O 3.36Å; Y194-I246 HydrophobicContact CD1-CD1 4.22Å; Y194-I246 HydrophobicContact CE1-CD1 3.67Å
195L98.3Very high95.4Very high3 Ų340.9 Ų40.92%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-127.4128.4-178.9-179.760.8000110.5L170 L182 I185 L192 I197 L208 L215 G217 L218 I219L170-L195 HydrophobicContact CB-CD1 4.1Å; L170-L195 HydrophobicContact CD2-CD1 4.02Å; L170-L195 HydrophobicContact CG-CD1 4.13Å; L170-L195 CarbonylContact O-C 3.43Å; L170-L195 WeakPolarHBondContact O-CA 3.44Å; L182-L195 HydrophobicContact CD1-CD2 3.71Å; I185-L195 HydrophobicContact CG2-CD2 4.49Å; L192-L195 HydrophobicContact CD2-CB 4.27Å; L192-L195 HydrophobicContact CD2-CD1 4.33Å; L192-L195 HydrophobicContact CD2-CD2 4.45Å; L195-I197 HydrophobicContact CD1-CG2 3.84Å; L195-I197 HydrophobicContact CD2-CG2 3.99Å; L195-I197 HydrophobicContact CG-CG2 3.82Å; L195-L208 HydrophobicContact CD2-CD2 3.73Å; L195-L215 HydrophobicContact CB-CD1 4.19Å; L195-G217 PolarHBondContact N-O 3.34Å; L195-L218 HydrophobicContact CB-CD1 4.34Å; L195-L218 HydrophobicContact CD2-CD1 4.35Å; L195-L218 HydrophobicContact CG-CD1 4.43Å; L195-L218 WeakPolarHBondContact O-CA 3.29Å; L195-I219 PolarHBondContact O-N 3.1Å
196N98.2Very high95.5Very high20 Ų2043 Ų4311%0.10720%0.204CC..EExtended strand (participates in β ladder)trans-117.9113.6169-172.8-14.3000110.4L170 N171 A172 S173 S198 I219L170-N196 PolarHBondContact O-N 2.58Å; N171-N196 HydrophobicContact CB-CB 4.17Å; A172-N196 CarbonylContact C-O 3.58Å; A172-N196 PolarHBondContact N-O 2.72Å; S173-N196 PolarHBondContact N-O 3.46Å; N196-S198 VanDerWaalsContact OD1-CB 3.25Å; N196-S198 WeakPolarHBondContact OD1-CB 3.43Å; N196-S198 PolarHBondContact OD1-N 3.16Å; N196-S198 PolarHBondContact OD1-OG 2.67Å; N196-I219 CarbonylContact C-O 3.57Å; N196-I219 VanDerWaalsContact CA-O 3.29Å; N196-I219 WeakPolarHBondContact CA-O 3.21Å; N196-I219 HydrophobicContact CB-CB 4.07Å; N196-I219 PolarHBondContact OD1-O 3Å
197I97.3Very high95.7Very high0 Ų043.1 Ų43.10%021%0.205CC..  trans-118.420.517955.2168.3000111.6L177 L182 L195 T200 V202 I205 L218 I219 M220 L223L177-I197 HydrophobicContact CD1-CG2 4.12Å; L177-I197 HydrophobicContact CD2-CG2 4.13Å; L182-I197 HydrophobicContact CD1-CG2 4.3Å; L182-I197 HydrophobicContact CD2-CD1 4.44Å; L195-I197 HydrophobicContact CD1-CG2 3.84Å; L195-I197 HydrophobicContact CD2-CG2 3.99Å; L195-I197 HydrophobicContact CG-CG2 3.82Å; I197-T200 HydrophobicContact CB-CG2 4.35Å; I197-T200 WeakPolarHBondContact O-CB 3.42Å; I197-T200 WeakPolarHBondContact O-CG2 3.26Å; I197-T200 PolarHBondContact O-N 3.46Å; I197-T200 PolarHBondContact O-OG1 2.87Å; I197-V202 HydrophobicContact CD1-CB 4.4Å; I197-V202 HydrophobicContact CD1-CG1 4.22Å; I197-V202 HydrophobicContact CD1-CG2 4.29Å; I197-I205 HydrophobicContact CD1-CG2 4.21Å; I197-L218 HydrophobicContact CD1-CD1 4.47Å; I197-L218 HydrophobicContact CG1-CD1 4.44Å; I197-I219 PolarHBondContact N-O 2.74Å; I197-M220 HydrophobicContact CD1-CB 4.03Å; I197-M220 HydrophobicContact CG1-CB 3.72Å; I197-L223 HydrophobicContact CD1-CD1 4.34Å; I197-L223 HydrophobicContact CD1-CD2 4.41Å; I197-L223 HydrophobicContact CG1-CD2 4.38Å; I197-L223 WeakPolarHBondContact O-CD2 3.24Å
198S96.6Very high95.9Very high10 Ų1039.6 Ų39.67%0.0719%0.186CC..THydrogen-bonded Turntrans-56.6140.8-179-56.70000112S173 R174 N196 T200 I219 H221S173-S198 CarbonylContact C-O 3.51Å; S173-S198 WeakPolarHBondContact CA-O 3.37Å; S173-S198 WeakPolarHBondContact CB-O 3.45Å; R174-S198 PolarHBondContact N-O 3.47Å; N196-S198 VanDerWaalsContact OD1-CB 3.25Å; N196-S198 WeakPolarHBondContact OD1-CB 3.43Å; N196-S198 PolarHBondContact OD1-N 3.16Å; N196-S198 PolarHBondContact OD1-OG 2.67Å; S198-T200 VanDerWaalsContact C-N 3.31Å; S198-T200 PolarHBondContact O-N 3.42Å; S198-I219 PolarHBondContact N-O 3.15Å; S198-I219 WeakPolarHBondContact OG-CG2 3.5Å; S198-I219 PolarHBondContact OG-O 3.01Å; S198-H221 CarbonylContact C-O 3.55Å; S198-H221 WeakPolarHBondContact CA-O 3.29Å; S198-H221 VanDerWaalsContact CB-O 3.23Å; S198-H221 WeakPolarHBondContact CB-O 3.37Å; S198-H221 PolarHBondContact OG-N 2.96Å
199R95.2Very high96.2Very high63 Ų6338.9 Ų38.924%0.23818%0.182CC..THydrogen-bonded Turntrans55.344.1178.5-56.9179.1-169.6150.212.3113.1R174 H221 R222 D351R174-R199 VanDerWaalsContact CA-O 3.29Å; R174-R199 WeakPolarHBondContact CA-O 3.44Å; R174-R199 HydrophobicContact CG-CB 3.98Å; R174-R199 PolarHBondContact N-O 3.46Å; R174-R199 VanDerWaalsContact NH2-NH1 3.13Å; R199-H221 PolarHBondContact N-O 3.43Å; R199-H221 PolarHBondContact NH2-NE2 2.99Å; R199-H221 VanDerWaalsContact NH2-NE2 3.16Å; R199-R222 WeakPolarHBondContact CA-O 3.46Å; R199-R222 HydrophobicContact CG-CB 3.78Å; R199-R222 PolarHBondContact N-O 3.2Å; R199-D351 IonicContact CZ-OD2 2.72Å; R199-D351 IonicContact NH1-OD2 3.43Å; R199-D351 PolarHBondContact NH1-OD2 3.2Å; R199-D351 IonicContact NH2-OD2 3.62Å; R199-D351 PolarHBondContact NH2-OD2 3.07Å
200T95.8Very high96.3Very high5 Ų543.2 Ų43.23%0.03121%0.205CC..SBendtrans-112.6179.7173.262.60000110.3A172 L177 I197 S198 V202 L223A172-T200 WeakPolarHBondContact O-CG2 3.34Å; L177-T200 HydrophobicContact CB-CG2 3.94Å; L177-T200 WeakPolarHBondContact O-CB 3.43Å; I197-T200 HydrophobicContact CB-CG2 4.35Å; I197-T200 WeakPolarHBondContact O-CB 3.42Å; I197-T200 WeakPolarHBondContact O-CG2 3.26Å; I197-T200 PolarHBondContact O-N 3.46Å; I197-T200 PolarHBondContact O-OG1 2.87Å; S198-T200 VanDerWaalsContact C-N 3.31Å; S198-T200 PolarHBondContact O-N 3.42Å; T200-V202 VanDerWaalsContact C-N 3.29Å; T200-V202 WeakPolarHBondContact OG1-CG2 3.14Å; T200-L223 WeakPolarHBondContact OG1-CD2 3.4Å
201R93.5Very high96.4Very high143 Ų14338.3 Ų38.354%0.5418%0.18SC..BIsolated β-bridgetrans-92.717.7178-58.1-179.2-175.2172.32.5112.5L177 T203L177-R201 CarbonylContact O-C 3.57Å; L177-R201 WeakPolarHBondContact O-CA 3.35Å; L177-R201 PolarHBondContact O-N 3.39Å; R201-T203 PolarHBondContact O-N 2.86Å
202V95.2Very high96.4Very high0 Ų040 Ų400%018%0.181CC..  trans-68.1122.3173.8176.90000108.8L177 L182 I197 T200 D204 I205 L223L177-V202 HydrophobicContact CD2-CG2 3.18Å; L177-V202 PolarHBondContact O-N 3.24Å; L182-V202 HydrophobicContact CD2-CG1 3.82Å; L182-V202 HydrophobicContact CD2-CG2 4.46Å; I197-V202 HydrophobicContact CD1-CB 4.4Å; I197-V202 HydrophobicContact CD1-CG1 4.22Å; I197-V202 HydrophobicContact CD1-CG2 4.29Å; T200-V202 VanDerWaalsContact C-N 3.29Å; T200-V202 WeakPolarHBondContact OG1-CG2 3.14Å; V202-D204 WeakPolarHBondContact CG1-O 3.38Å; V202-I205 HydrophobicContact CG1-CG2 3.79Å; V202-L223 HydrophobicContact CB-CD1 4.37Å; V202-L223 HydrophobicContact CB-CD2 4.19Å; V202-L223 HydrophobicContact CG1-CD1 4.29Å
203T93Very high96.4Very high62 Ų6245.9 Ų45.938%0.3821%0.212SC..  trans-107.9-17175.954.30000112.5T179 R201 L225T179-T203 PolarHBondContact OG1-N 3.2Å; T179-T203 PolarHBondContact OG1-OG1 3.03Å; R201-T203 PolarHBondContact O-N 2.86Å; T203-L225 WeakPolarHBondContact O-CD2 3.21Å
204D94.2Very high96.2Very high34 Ų3442.4 Ų42.418%0.18220%0.199CC..  trans-142.8132.2-178.3-174.37.5000109.7T179 V202 T206 K233T179-D204 HydrophobicContact CG2-CB 3.8Å; T179-D204 WeakPolarHBondContact CG2-O 3.45Å; T179-D204 PolarHBondContact OG1-N 2.67Å; V202-D204 WeakPolarHBondContact CG1-O 3.38Å; D204-T206 WeakPolarHBondContact OD1-CG2 3.43Å; D204-T206 PolarHBondContact OD1-N 3.12Å; D204-T206 VanDerWaalsContact OD1-N 3.09Å; D204-T206 PolarHBondContact OD1-OG1 2.85Å; D204-T206 PolarHBondContact OD2-OG1 3.05Å; D204-K233 VanDerWaalsContact CG-NZ 3.28Å; D204-K233 WeakPolarHBondContact OD1-CE 3.49Å; D204-K233 IonicContact OD1-NZ 3.66Å; D204-K233 PolarHBondContact OD1-NZ 3.5Å; D204-K233 IonicContact OD2-NZ 2.85Å; D204-K233 PolarHBondContact OD2-NZ 3.06Å
205I97Very high96.2Very high3 Ų339.1 Ų39.12%0.01519%0.186CC..  trans-110.64.8-176.159.8153.1000112.9L182 I197 V202 P207 L208 M220 L223 L234 T237 V238L182-I205 HydrophobicContact CD2-CB 4.38Å; L182-I205 HydrophobicContact CD2-CG2 4.2Å; I197-I205 HydrophobicContact CD1-CG2 4.21Å; V202-I205 HydrophobicContact CG1-CG2 3.79Å; I205-P207 WeakPolarHBondContact O-CD 3.36Å; I205-P207 VanDerWaalsContact O-N 3.12Å; I205-L208 HydrophobicContact CB-CD1 4.14Å; I205-L208 VanDerWaalsContact O-CB 3.3Å; I205-L208 WeakPolarHBondContact O-CB 3.31Å; I205-L208 WeakPolarHBondContact O-CG 3.49Å; I205-L208 PolarHBondContact O-N 2.89Å; I205-M220 HydrophobicContact CD1-CE 3.82Å; I205-M220 HydrophobicContact CD1-SD 4.05Å; I205-M220 HydrophobicContact CG2-SD 4.12Å; I205-L223 HydrophobicContact CG2-CD1 4.26Å; I205-L234 HydrophobicContact CD1-CG 3.96Å; I205-L234 HydrophobicContact CG1-CG 4.34Å; I205-T237 HydrophobicContact CD1-CG2 3.95Å; I205-T237 HydrophobicContact CG1-CG2 3.89Å; I205-V238 HydrophobicContact CD1-CG2 3.93Å
206T97.4Very high96.2Very high46 Ų4640.4 Ų40.428%0.28219%0.193SC..G310 helixtrans-52.8-28.4175.355.90000114.9D204 L208 L209 T237D204-T206 WeakPolarHBondContact OD1-CG2 3.43Å; D204-T206 PolarHBondContact OD1-N 3.12Å; D204-T206 VanDerWaalsContact OD1-N 3.09Å; D204-T206 PolarHBondContact OD1-OG1 2.85Å; D204-T206 PolarHBondContact OD2-OG1 3.05Å; T206-L208 PolarHBondContact O-N 3.18Å; T206-L208 VanDerWaalsContact O-N 3.08Å; T206-L209 VanDerWaalsContact O-CB 3.3Å; T206-L209 WeakPolarHBondContact O-CB 3.16Å; T206-L209 VanDerWaalsContact O-CG 3.3Å; T206-L209 WeakPolarHBondContact O-CG 3.38Å; T206-L209 PolarHBondContact O-N 3.33Å; T206-T237 HydrophobicContact CG2-CG2 4.35Å
207P97Very high96.2Very high6 Ų639.6 Ų39.64%0.03919%0.189CC..G310 helixtrans-55.3-26.5172.3-29.137.8000114.4T179 L182 Q183 A186 I205 L209 N210T179-P207 HydrophobicContact CG2-CG 4.36Å; L182-P207 HydrophobicContact CG-CB 4.32Å; Q183-P207 HydrophobicContact CB-CB 4.21Å; Q183-P207 HydrophobicContact CB-CG 4.27Å; Q183-P207 VanDerWaalsContact OE1-CB 3.29Å; A186-P207 HydrophobicContact CB-CB 4.41Å; A186-P207 VanDerWaalsContact CB-O 3.26Å; A186-P207 WeakPolarHBondContact CB-O 3.22Å; I205-P207 WeakPolarHBondContact O-CD 3.36Å; I205-P207 VanDerWaalsContact O-N 3.12Å; P207-L209 PolarHBondContact O-N 2.86Å; P207-N210 WeakPolarHBondContact O-CB 3.45Å; P207-N210 PolarHBondContact O-N 3.29Å
208L97.8Very high96.3Very high0 Ų039.6 Ų39.60%019%0.189CC..G310 helixtrans-68.1-15.4178.2-61.3-178.2000113.6L182 L195 I205 T206 N210 I211 R212 L215 L218 L241L182-L208 HydrophobicContact CD1-CD2 3.78Å; L182-L208 HydrophobicContact CD1-CG 4.4Å; L182-L208 HydrophobicContact CD2-CD1 4.48Å; L182-L208 HydrophobicContact CD2-CD2 4.34Å; L182-L208 HydrophobicContact CD2-CG 4.09Å; L182-L208 HydrophobicContact CG-CD2 4.08Å; L182-L208 HydrophobicContact CG-CG 4.34Å; L195-L208 HydrophobicContact CD2-CD2 3.73Å; I205-L208 HydrophobicContact CB-CD1 4.14Å; I205-L208 VanDerWaalsContact O-CB 3.3Å; I205-L208 WeakPolarHBondContact O-CB 3.31Å; I205-L208 WeakPolarHBondContact O-CG 3.49Å; I205-L208 PolarHBondContact O-N 2.89Å; T206-L208 PolarHBondContact O-N 3.18Å; T206-L208 VanDerWaalsContact O-N 3.08Å; L208-N210 PolarHBondContact O-N 3.13Å; L208-I211 HydrophobicContact CB-CG1 4.45Å; L208-I211 HydrophobicContact CD2-CD1 3.88Å; L208-I211 HydrophobicContact CD2-CG1 4.25Å; L208-I211 CarbonylContact O-C 3.35Å; L208-I211 VanDerWaalsContact O-CG1 3.23Å; L208-I211 WeakPolarHBondContact O-CG1 3.46Å; L208-I211 PolarHBondContact O-N 3.07Å; L208-R212 PolarHBondContact O-N 2.93Å; L208-L215 HydrophobicContact CB-CD2 4.49Å; L208-L215 HydrophobicContact CD1-CD2 4.31Å; L208-L218 HydrophobicContact CD1-CD1 3.76Å; L208-L218 HydrophobicContact CD1-CD2 3.68Å; L208-L218 HydrophobicContact CD1-CG 4.39Å; L208-L241 HydrophobicContact CB-CD1 4.48Å; L208-L241 HydrophobicContact CB-CD2 4.23Å
209L97.3Very high96.4Very high38 Ų3840.8 Ų40.820%0.19919%0.194CC..G310 helixtrans-61.4-29.4173.9-63.3176000111.7T206 P207 I211 R212 T237 E240 L241T206-L209 VanDerWaalsContact O-CB 3.3Å; T206-L209 WeakPolarHBondContact O-CB 3.16Å; T206-L209 VanDerWaalsContact O-CG 3.3Å; T206-L209 WeakPolarHBondContact O-CG 3.38Å; T206-L209 PolarHBondContact O-N 3.33Å; P207-L209 PolarHBondContact O-N 2.86Å; L209-I211 PolarHBondContact O-N 3.33Å; L209-I211 VanDerWaalsContact O-N 3.12Å; L209-R212 WeakPolarHBondContact O-CB 3.31Å; L209-R212 WeakPolarHBondContact O-CD 3.37Å; L209-R212 VanDerWaalsContact O-CG 3.29Å; L209-R212 WeakPolarHBondContact O-CG 3.32Å; L209-R212 PolarHBondContact O-N 3.4Å; L209-T237 HydrophobicContact CD1-CG2 4.39Å; L209-T237 HydrophobicContact CD2-CG2 3.89Å; L209-T237 HydrophobicContact CG-CG2 3.96Å; L209-E240 HydrophobicContact CD2-CB 3.61Å; L209-L241 HydrophobicContact CD2-CD2 4.18Å
210N96Very high96.4Very high93 Ų9338 Ų3850%0.49718%0.184SC..G310 helixtrans-63.5-15.7173.8-68.8-1.9000112.9Q183 A186 D187 P207 L208 R214Q183-N210 PolarHBondContact NE2-ND2 2.78Å; Q183-N210 VanDerWaalsContact NE2-ND2 3.12Å; A186-N210 HydrophobicContact CB-CB 4.39Å; D187-N210 PolarHBondContact OD1-ND2 2.78Å; P207-N210 WeakPolarHBondContact O-CB 3.45Å; P207-N210 PolarHBondContact O-N 3.29Å; L208-N210 PolarHBondContact O-N 3.13Å; N210-R214 PolarHBondContact O-NH1 2.95Å
211I95.8Very high96.3Very high1 Ų138 Ų381%0.00518%0.183CC..G310 helixtrans-123.812.2-177.275.2169.1000113A186 L192 L208 L209 D213 R214 L215A186-I211 HydrophobicContact CB-CG2 3.89Å; A186-I211 WeakPolarHBondContact O-CG2 3.44Å; L192-I211 HydrophobicContact CD2-CD1 4.17Å; L208-I211 HydrophobicContact CB-CG1 4.45Å; L208-I211 HydrophobicContact CD2-CD1 3.88Å; L208-I211 HydrophobicContact CD2-CG1 4.25Å; L208-I211 CarbonylContact O-C 3.35Å; L208-I211 VanDerWaalsContact O-CG1 3.23Å; L208-I211 WeakPolarHBondContact O-CG1 3.46Å; L208-I211 PolarHBondContact O-N 3.07Å; L209-I211 PolarHBondContact O-N 3.33Å; L209-I211 VanDerWaalsContact O-N 3.12Å; I211-D213 PolarHBondContact O-N 2.94Å; I211-D213 VanDerWaalsContact O-N 3.12Å; I211-R214 HydrophobicContact CB-CG 4.17Å; I211-R214 WeakPolarHBondContact O-CG 3.25Å; I211-R214 PolarHBondContact O-N 3.2Å; I211-L215 HydrophobicContact CD1-CB 4.29Å; I211-L215 HydrophobicContact CD1-CD1 3.98Å; I211-L215 HydrophobicContact CD1-CD2 4.24Å; I211-L215 HydrophobicContact CD1-CG 4.4Å; I211-L215 HydrophobicContact CG1-CB 4.14Å; I211-L215 HydrophobicContact CG1-CD2 4.32Å; I211-L215 WeakPolarHBondContact O-CB 3.32Å; I211-L215 PolarHBondContact O-N 2.69Å
212R95.8Very high96.2Very high107 Ų10733.7 Ų33.740%0.40417%0.167SC..THydrogen-bonded Turntrans-56.4-29.9-176.170.9-173.3177.4-157.5-5114.2L208 L209 R214 L241 Q243L208-R212 PolarHBondContact O-N 2.93Å; L209-R212 WeakPolarHBondContact O-CB 3.31Å; L209-R212 WeakPolarHBondContact O-CD 3.37Å; L209-R212 VanDerWaalsContact O-CG 3.29Å; L209-R212 WeakPolarHBondContact O-CG 3.32Å; L209-R212 PolarHBondContact O-N 3.4Å; R212-R214 VanDerWaalsContact C-N 3.27Å; R212-R214 PolarHBondContact O-N 3.49Å; R212-L241 HydrophobicContact CB-CD2 3.76Å; R212-Q243 WeakPolarHBondContact O-CB 3.37Å; R212-Q243 WeakPolarHBondContact O-CG 3.38Å
213D95.6Very high96.1Very high124 Ų12434.3 Ų34.366%0.66317%0.171SC*.THydrogen-bonded Turntrans-80.8-4.7-177.2-56.4-47.8000113.4I211I211-D213 PolarHBondContact O-N 2.94Å; I211-D213 VanDerWaalsContact O-N 3.12Å
214R95.6Very high95.8Very high63 Ų6335.9 Ų35.924%0.23817%0.174CC..THydrogen-bonded Turntrans-134.4-14.2-178.564.8178.1-175.3-93.914.2115.2A186 L189 L190 N210 I211 R212 N216A186-R214 PolarHBondContact O-NH2 3.37Å; A186-R214 VanDerWaalsContact O-NH2 3.14Å; L189-R214 PolarHBondContact O-NH2 3.29Å; L189-R214 VanDerWaalsContact O-NH2 3.07Å; L190-R214 WeakPolarHBondContact O-CD 3.29Å; L190-R214 PolarHBondContact O-NE 3.49Å; N210-R214 PolarHBondContact O-NH1 2.95Å; I211-R214 HydrophobicContact CB-CG 4.17Å; I211-R214 WeakPolarHBondContact O-CG 3.25Å; I211-R214 PolarHBondContact O-N 3.2Å; R212-R214 VanDerWaalsContact C-N 3.27Å; R212-R214 PolarHBondContact O-N 3.49Å; R214-N216 PolarHBondContact O-N 3.29Å; R214-N216 PolarHBondContact O-OD1 3.08Å; R214-N216 VanDerWaalsContact O-OD1 3.07Å
215L98Very high95.5Very high0 Ų034.6 Ų34.60%017%0.167CC..  trans-76.8111.4-178.1-172.567.2000110.2L195 L208 I211 L218 L241 Q243 L244L195-L215 HydrophobicContact CB-CD1 4.19Å; L208-L215 HydrophobicContact CB-CD2 4.49Å; L208-L215 HydrophobicContact CD1-CD2 4.31Å; I211-L215 HydrophobicContact CD1-CB 4.29Å; I211-L215 HydrophobicContact CD1-CD1 3.98Å; I211-L215 HydrophobicContact CD1-CD2 4.24Å; I211-L215 HydrophobicContact CD1-CG 4.4Å; I211-L215 HydrophobicContact CG1-CB 4.14Å; I211-L215 HydrophobicContact CG1-CD2 4.32Å; I211-L215 WeakPolarHBondContact O-CB 3.32Å; I211-L215 PolarHBondContact O-N 2.69Å; L215-L218 HydrophobicContact CD2-CB 4.35Å; L215-L241 HydrophobicContact CD2-CD1 4.27Å; L215-Q243 CarbonylContact O-C 3.42Å; L215-L244 HydrophobicContact CD2-CD2 4.19Å; L215-L244 HydrophobicContact CG-CD2 3.96Å; L215-L244 PolarHBondContact O-N 2.85Å
216N98.3Very high94.7Very high31 Ų3141.5 Ų41.517%0.16620%0.199CC..  trans-98.4-23.1-178.2-69.621.5000112.8R193 Y194 R214 R245 I246R193-N216 WeakPolarHBondContact O-CA 3.12Å; R193-N216 PolarHBondContact O-N 3.19Å; Y194-N216 HydrophobicContact CE1-CB 4.24Å; Y194-N216 HydrophobicContact CE2-CB 4.39Å; R214-N216 PolarHBondContact O-N 3.29Å; R214-N216 PolarHBondContact O-OD1 3.08Å; R214-N216 VanDerWaalsContact O-OD1 3.07Å; N216-R245 WeakPolarHBondContact O-CA 3.49Å; N216-R245 PolarHBondContact O-N 2.82Å; N216-I246 PolarHBondContact O-N 2.58Å
217G98.4Very high94.2Very high2 Ų246.4 Ų46.42%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-146.4128.9179.700000113.4R193 Y194 L195 I246R193-G217 PolarHBondContact O-N 3.11Å; Y194-G217 CarbonylContact C-O 3.18Å; Y194-G217 WeakPolarHBondContact CA-O 3.36Å; L195-G217 PolarHBondContact N-O 3.34Å; G217-I246 CarbonylContact C-O 3.34Å; G217-I246 VanDerWaalsContact CA-O 3.31Å; G217-I246 WeakPolarHBondContact CA-O 3.12Å
218L98.5Very high93.6Very high0 Ų050.2 Ų50.20%024%0.236CC..EExtended strand (participates in β ladder)trans-129118.2179.2-179.359.1000109.9L195 I197 L208 L215 M220 L241 L244 I246 L247 D248L195-L218 HydrophobicContact CB-CD1 4.34Å; L195-L218 HydrophobicContact CD2-CD1 4.35Å; L195-L218 HydrophobicContact CG-CD1 4.43Å; L195-L218 WeakPolarHBondContact O-CA 3.29Å; I197-L218 HydrophobicContact CD1-CD1 4.47Å; I197-L218 HydrophobicContact CG1-CD1 4.44Å; L208-L218 HydrophobicContact CD1-CD1 3.76Å; L208-L218 HydrophobicContact CD1-CD2 3.68Å; L208-L218 HydrophobicContact CD1-CG 4.39Å; L215-L218 HydrophobicContact CD2-CB 4.35Å; L218-M220 HydrophobicContact CD2-CE 3.58Å; L218-M220 HydrophobicContact CD2-SD 3.79Å; L218-M220 HydrophobicContact CG-CE 4.17Å; L218-M220 HydrophobicContact CG-CG 4.38Å; L218-M220 HydrophobicContact CG-SD 4.06Å; L218-L241 HydrophobicContact CD2-CD1 3.87Å; L218-L244 HydrophobicContact CB-CD1 4.46Å; L218-L244 HydrophobicContact CB-CD2 3.83Å; L218-I246 PolarHBondContact N-O 3.17Å; L218-L247 HydrophobicContact CB-CD1 4.49Å; L218-L247 WeakPolarHBondContact O-CA 3.46Å; L218-D248 PolarHBondContact O-N 3.33Å
219I98Very high93.1Very high36 Ų3657.1 Ų57.119%0.18527%0.268CS..EExtended strand (participates in β ladder)trans-116.9114.5175.3-53.4177.9000108.2L195 N196 I197 S198 D248L195-I219 PolarHBondContact O-N 3.1Å; N196-I219 CarbonylContact C-O 3.57Å; N196-I219 VanDerWaalsContact CA-O 3.29Å; N196-I219 WeakPolarHBondContact CA-O 3.21Å; N196-I219 HydrophobicContact CB-CB 4.07Å; N196-I219 PolarHBondContact OD1-O 3Å; I197-I219 PolarHBondContact N-O 2.74Å; S198-I219 PolarHBondContact N-O 3.15Å; S198-I219 WeakPolarHBondContact OG-CG2 3.5Å; S198-I219 PolarHBondContact OG-O 3.01Å; I219-D248 HydrophobicContact CB-CB 4.21Å; I219-D248 HydrophobicContact CG1-CB 4.2Å; I219-D248 HydrophobicContact CG2-CB 3.8Å
220M96.5Very high92.7Very high3 Ų356.2 Ų56.22%0.01526%0.263CS..  trans-137.948.7-17559.4-174.8166.300111.4I197 I205 L218 L223 L234 V238 L247 D248 V249I197-M220 HydrophobicContact CD1-CB 4.03Å; I197-M220 HydrophobicContact CG1-CB 3.72Å; I205-M220 HydrophobicContact CD1-CE 3.82Å; I205-M220 HydrophobicContact CD1-SD 4.05Å; I205-M220 HydrophobicContact CG2-SD 4.12Å; L218-M220 HydrophobicContact CD2-CE 3.58Å; L218-M220 HydrophobicContact CD2-SD 3.79Å; L218-M220 HydrophobicContact CG-CE 4.17Å; L218-M220 HydrophobicContact CG-CG 4.38Å; L218-M220 HydrophobicContact CG-SD 4.06Å; M220-L223 HydrophobicContact CB-CD1 3.91Å; M220-L223 HydrophobicContact CB-CD2 4.36Å; M220-L223 HydrophobicContact CB-CG 4.04Å; M220-L223 HydrophobicContact CG-CD1 4.41Å; M220-L223 HydrophobicContact SD-CD1 4.22Å; M220-L234 HydrophobicContact CE-CD1 4.18Å; M220-L234 HydrophobicContact CE-CD2 3.91Å; M220-L234 HydrophobicContact CE-CG 4.06Å; M220-L234 HydrophobicContact SD-CD1 4.03Å; M220-L234 HydrophobicContact SD-CG 4.45Å; M220-V238 HydrophobicContact CE-CG2 3.35Å; M220-L247 HydrophobicContact CE-CD1 3.97Å; M220-D248 CarbonylContact C-O 3.5Å; M220-D248 WeakPolarHBondContact CG-O 3.45Å; M220-D248 PolarHBondContact N-O 2.73Å; M220-V249 HydrophobicContact CE-CG1 3.26Å; M220-V249 HydrophobicContact CG-CG1 3.93Å; M220-V249 HydrophobicContact SD-CG1 4.37Å
221H92.8Very high92.4Very high5 Ų551.8 Ų51.82%0.02324%0.24CC..THydrogen-bonded Turntrans-65.5134.2177.1165.482000111.4S198 R199 S250S198-H221 CarbonylContact C-O 3.55Å; S198-H221 WeakPolarHBondContact CA-O 3.29Å; S198-H221 VanDerWaalsContact CB-O 3.23Å; S198-H221 WeakPolarHBondContact CB-O 3.37Å; S198-H221 PolarHBondContact OG-N 2.96Å; R199-H221 PolarHBondContact N-O 3.43Å; R199-H221 PolarHBondContact NH2-NE2 2.99Å; R199-H221 VanDerWaalsContact NH2-NE2 3.16Å; H221-S250 WeakPolarHBondContact CA-O 3.21Å; H221-S250 PolarHBondContact ND1-O 3.44Å; H221-S250 PolarHBondContact ND1-OG 2.79Å
222R91.2Very high92.2Very high53 Ų5353 Ų5320%0.225%0.249CC..THydrogen-bonded Turntrans5257.5177.5-74.7179.6-177.1178.71.4113.7R199 S250 D251R199-R222 WeakPolarHBondContact CA-O 3.46Å; R199-R222 HydrophobicContact CG-CB 3.78Å; R199-R222 PolarHBondContact N-O 3.2Å; R222-S250 PolarHBondContact N-O 3.22Å; R222-S250 VanDerWaalsContact N-O 3.09Å; R222-D251 WeakPolarHBondContact CG-OD1 3.42Å
223L94.1Very high92.1Very high13 Ų1351.9 Ų51.97%0.06825%0.248CC..  trans-71.9158.5164.2-67.7-172000110.9I197 T200 V202 I205 M220 L225 L234I197-L223 HydrophobicContact CD1-CD1 4.34Å; I197-L223 HydrophobicContact CD1-CD2 4.41Å; I197-L223 HydrophobicContact CG1-CD2 4.38Å; I197-L223 WeakPolarHBondContact O-CD2 3.24Å; T200-L223 WeakPolarHBondContact OG1-CD2 3.4Å; V202-L223 HydrophobicContact CB-CD1 4.37Å; V202-L223 HydrophobicContact CB-CD2 4.19Å; V202-L223 HydrophobicContact CG1-CD1 4.29Å; I205-L223 HydrophobicContact CG2-CD1 4.26Å; M220-L223 HydrophobicContact CB-CD1 3.91Å; M220-L223 HydrophobicContact CB-CD2 4.36Å; M220-L223 HydrophobicContact CB-CG 4.04Å; M220-L223 HydrophobicContact CG-CD1 4.41Å; M220-L223 HydrophobicContact SD-CD1 4.22Å; L223-L225 HydrophobicContact CB-CD1 4.18Å; L223-L225 HydrophobicContact CB-CG 3.92Å; L223-L225 PolarHBondContact O-N 2.87Å; L223-L234 HydrophobicContact CD1-CD1 4.29Å
224Q85.8Confident92.1Very high95 Ų9546.3 Ų46.344%0.44422%0.218SC..  trans-82.460.4178.6-165.8177.3-11.600111.5E226Q224-E226 HydrophobicContact CG-CG 4.41Å; Q224-E226 PolarHBondContact NE2-OE1 3.45Å; Q224-E226 PolarHBondContact O-N 3.33Å
225L88Confident92Very high8 Ų843.4 Ų43.44%0.04221%0.207CC..  trans-91.396.4179.1-57.6170.7000109.5T203 L223 D230 I231 L234 R254T203-L225 WeakPolarHBondContact O-CD2 3.21Å; L223-L225 HydrophobicContact CB-CD1 4.18Å; L223-L225 HydrophobicContact CB-CG 3.92Å; L223-L225 PolarHBondContact O-N 2.87Å; L225-D230 HydrophobicContact CD2-CB 4.04Å; L225-I231 HydrophobicContact CB-CG1 4.27Å; L225-L234 HydrophobicContact CD1-CB 4.47Å; L225-L234 HydrophobicContact CD1-CD1 3.43Å; L225-L234 VanDerWaalsContact CD1-CD1 3.43Å; L225-R254 VanDerWaalsContact O-CZ 3.25Å; L225-R254 PolarHBondContact O-NH1 3.04Å; L225-R254 PolarHBondContact O-NH2 3.09Å
226E81.6Confident91.9Very high147 Ų14745.8 Ų45.869%0.68722%0.223SC*.  trans-84.1-36.5-175.2-66.9177.3-170.100112.3Q224Q224-E226 HydrophobicContact CG-CG 4.41Å; Q224-E226 PolarHBondContact NE2-OE1 3.45Å; Q224-E226 PolarHBondContact O-N 3.33Å
227R86.3Confident91.8Very high149 Ų14944.6 Ų44.656%0.56222%0.217SC*.SBendtrans-93.5147.5-175.9-53.1173.3-67.9-174.85.4111.6E229 D230R227-E229 VanDerWaalsContact C-N 3.28Å; R227-E229 PolarHBondContact O-N 2.93Å; R227-D230 WeakPolarHBondContact CB-OD2 3.5Å; R227-D230 IonicContact CZ-OD1 3.26Å; R227-D230 IonicContact CZ-OD2 2.94Å; R227-D230 IonicContact NE-OD1 3.61Å; R227-D230 IonicContact NE-OD2 2.82Å; R227-D230 PolarHBondContact NE-OD2 2.93Å; R227-D230 IonicContact NH2-OD1 2.81Å; R227-D230 PolarHBondContact NH2-OD1 3.07Å; R227-D230 IonicContact NH2-OD2 3.17Å; R227-D230 PolarHBondContact NH2-OD2 3.06Å; R227-D230 PolarHBondContact O-N 3.24Å
228T83.5Confident91.8Very high87 Ų8744.5 Ų44.553%0.53422%0.216SC..Hα-helixtrans-62.7-34.5176.746.50000112.7D230 I231 A232 Y260T228-D230 VanDerWaalsContact C-N 3.34Å; T228-I231 WeakPolarHBondContact O-CB 3.48Å; T228-I231 PolarHBondContact O-N 3.1Å; T228-A232 PolarHBondContact O-N 2.98Å; T228-Y260 WeakPolarHBondContact CB-OH 3.36Å; T228-Y260 WeakPolarHBondContact O-CE1 3.18Å; T228-Y260 PolarHBondContact O-OH 3.42Å
229E86.9Confident91.6Very high144 Ų14444.8 Ų44.867%0.67322%0.218SC*.Hα-helixtrans-62.4-39.4176.1-64.9171.6-167.600112.1R227 I231 A232 K233R227-E229 VanDerWaalsContact C-N 3.28Å; R227-E229 PolarHBondContact O-N 2.93Å; E229-I231 VanDerWaalsContact C-N 3.27Å; E229-I231 PolarHBondContact O-N 3.1Å; E229-A232 PolarHBondContact O-N 3.35Å; E229-K233 VanDerWaalsContact O-CB 3.31Å; E229-K233 WeakPolarHBondContact O-CB 3.49Å; E229-K233 PolarHBondContact O-N 2.88Å
230D90.1Very high91.6Very high20 Ų2046.7 Ų46.711%0.10723%0.226CC..Hα-helixtrans-65.5-33179.4-59.6-39.9000111L225 R227 T228 L234L225-D230 HydrophobicContact CD2-CB 4.04Å; R227-D230 WeakPolarHBondContact CB-OD2 3.5Å; R227-D230 IonicContact CZ-OD1 3.26Å; R227-D230 IonicContact CZ-OD2 2.94Å; R227-D230 IonicContact NE-OD1 3.61Å; R227-D230 IonicContact NE-OD2 2.82Å; R227-D230 PolarHBondContact NE-OD2 2.93Å; R227-D230 IonicContact NH2-OD1 2.81Å; R227-D230 PolarHBondContact NH2-OD1 3.07Å; R227-D230 IonicContact NH2-OD2 3.17Å; R227-D230 PolarHBondContact NH2-OD2 3.06Å; R227-D230 PolarHBondContact O-N 3.24Å; T228-D230 VanDerWaalsContact C-N 3.34Å; D230-L234 WeakPolarHBondContact O-CB 3.27Å; D230-L234 PolarHBondContact O-N 2.98Å
231I89.7Confident91.6Very high0 Ų046.5 Ų46.50%023%0.225CC..Hα-helixtrans-69.7-47.6176.9-57.4170.7000111.1L225 T228 E229 K233 L234 L235 R254 Y260 F285L225-I231 HydrophobicContact CB-CG1 4.27Å; T228-I231 WeakPolarHBondContact O-CB 3.48Å; T228-I231 PolarHBondContact O-N 3.1Å; E229-I231 VanDerWaalsContact C-N 3.27Å; E229-I231 PolarHBondContact O-N 3.1Å; I231-K233 VanDerWaalsContact C-N 3.3Å; I231-K233 PolarHBondContact O-N 3.24Å; I231-L234 WeakPolarHBondContact O-CB 3.41Å; I231-L234 PolarHBondContact O-N 3.34Å; I231-L235 PolarHBondContact O-N 3.13Å; I231-R254 VanDerWaalsContact CD1-CZ 3.44Å; I231-Y260 HydrophobicContact CB-CE2 4.5Å; I231-Y260 HydrophobicContact CG2-CE2 3.95Å; I231-F285 HydrophobicContact CG2-CD1 3.5Å; I231-F285 VanDerWaalsContact CG2-CD1 3.5Å; I231-F285 HydrophobicContact CG2-CE1 3.57Å
232A91.2Very high91.7Very high25 Ų2549.8 Ų49.821%0.20724%0.243CC..Hα-helixtrans-60.3-44.6176.600000110.5T228 E229 L234 L235 C236 Y260 V262T228-A232 PolarHBondContact O-N 2.98Å; E229-A232 PolarHBondContact O-N 3.35Å; A232-L234 VanDerWaalsContact C-N 3.33Å; A232-L234 PolarHBondContact O-N 2.93Å; A232-L235 PolarHBondContact O-N 3.16Å; A232-C236 PolarHBondContact O-N 2.98Å; A232-C236 PolarHBondContact O-SG 3.42Å; A232-C236 VanDerWaalsContact O-SG 3.37Å; A232-Y260 HydrophobicContact CB-CD1 3.77Å; A232-Y260 HydrophobicContact CB-CE1 4.03Å; A232-V262 HydrophobicContact CB-CG1 4.44Å
233K93.9Very high92Very high85 Ų8550.3 Ų50.337%0.3725%0.248SC..Hα-helixtrans-59.7-40.9176.1-173.3-179.2-176.4-176.60112.5D204 E229 I231 C236 T237D204-K233 VanDerWaalsContact CG-NZ 3.28Å; D204-K233 WeakPolarHBondContact OD1-CE 3.49Å; D204-K233 IonicContact OD1-NZ 3.66Å; D204-K233 PolarHBondContact OD1-NZ 3.5Å; D204-K233 IonicContact OD2-NZ 2.85Å; D204-K233 PolarHBondContact OD2-NZ 3.06Å; E229-K233 VanDerWaalsContact O-CB 3.31Å; E229-K233 WeakPolarHBondContact O-CB 3.49Å; E229-K233 PolarHBondContact O-N 2.88Å; I231-K233 VanDerWaalsContact C-N 3.3Å; I231-K233 PolarHBondContact O-N 3.24Å; K233-C236 PolarHBondContact O-N 2.99Å; K233-T237 PolarHBondContact O-N 3.4Å; K233-T237 PolarHBondContact O-OG1 2.85Å
234L95.2Very high92.2Very high7 Ų749.7 Ų49.74%0.03724%0.244CC..Hα-helixtrans-57.4-50174.7175.9156.4000110.6I205 M220 L223 L225 D230 I231 A232 C236 T237 V238 V249 F285I205-L234 HydrophobicContact CD1-CG 3.96Å; I205-L234 HydrophobicContact CG1-CG 4.34Å; M220-L234 HydrophobicContact CE-CD1 4.18Å; M220-L234 HydrophobicContact CE-CD2 3.91Å; M220-L234 HydrophobicContact CE-CG 4.06Å; M220-L234 HydrophobicContact SD-CD1 4.03Å; M220-L234 HydrophobicContact SD-CG 4.45Å; L223-L234 HydrophobicContact CD1-CD1 4.29Å; L225-L234 HydrophobicContact CD1-CB 4.47Å; L225-L234 HydrophobicContact CD1-CD1 3.43Å; L225-L234 VanDerWaalsContact CD1-CD1 3.43Å; D230-L234 WeakPolarHBondContact O-CB 3.27Å; D230-L234 PolarHBondContact O-N 2.98Å; I231-L234 WeakPolarHBondContact O-CB 3.41Å; I231-L234 PolarHBondContact O-N 3.34Å; A232-L234 VanDerWaalsContact C-N 3.33Å; A232-L234 PolarHBondContact O-N 2.93Å; L234-C236 PolarHBondContact O-N 3.36Å; L234-T237 PolarHBondContact O-N 2.7Å; L234-V238 HydrophobicContact CD2-CG2 3.99Å; L234-V238 WeakPolarHBondContact O-CG2 3.25Å; L234-V238 PolarHBondContact O-N 3.26Å; L234-V249 HydrophobicContact CD2-CG1 4.2Å; L234-F285 HydrophobicContact CD2-CE1 3.94Å; L234-F285 HydrophobicContact CD2-CZ 3.82Å
235L94Very high92.8Very high1 Ų148.5 Ų48.51%0.00524%0.236CC..Hα-helixtrans-67-38.3-178.6-158.567000111.7I231 A232 T237 V238 V239 V262 V263 F266 F285I231-L235 PolarHBondContact O-N 3.13Å; A232-L235 PolarHBondContact O-N 3.16Å; L235-T237 VanDerWaalsContact C-N 3.3Å; L235-T237 PolarHBondContact O-N 2.88Å; L235-V238 PolarHBondContact O-N 3.21Å; L235-V239 WeakPolarHBondContact O-CG2 3.43Å; L235-V239 PolarHBondContact O-N 3.35Å; L235-V239 VanDerWaalsContact O-N 3.09Å; L235-V262 HydrophobicContact CB-CG1 3.94Å; L235-V262 HydrophobicContact CB-CG2 4Å; L235-V262 HydrophobicContact CD2-CB 4.49Å; L235-V262 HydrophobicContact CD2-CG1 3.88Å; L235-V262 HydrophobicContact CD2-CG2 4.17Å; L235-V262 HydrophobicContact CG-CG1 4.37Å; L235-V262 HydrophobicContact CG-CG2 4.1Å; L235-V263 HydrophobicContact CD2-CG2 4.17Å; L235-F266 HydrophobicContact CD1-CB 4.32Å; L235-F266 HydrophobicContact CD1-CD1 4.2Å; L235-F266 HydrophobicContact CD1-CD2 3.52Å; L235-F266 HydrophobicContact CD1-CE1 4.37Å; L235-F266 HydrophobicContact CD1-CE2 3.72Å; L235-F266 HydrophobicContact CD1-CG 3.76Å; L235-F266 HydrophobicContact CD1-CZ 4.12Å; L235-F266 HydrophobicContact CD2-CB 3.78Å; L235-F266 HydrophobicContact CD2-CD1 4.37Å; L235-F266 HydrophobicContact CD2-CG 3.99Å; L235-F266 HydrophobicContact CG-CB 4Å; L235-F266 HydrophobicContact CG-CD2 4.01Å; L235-F266 HydrophobicContact CG-CG 3.99Å; L235-F285 HydrophobicContact CB-CD1 4.25Å; L235-F285 HydrophobicContact CB-CE1 4.11Å; L235-F285 HydrophobicContact CD1-CD1 4.38Å; L235-F285 HydrophobicContact CD1-CE1 4.13Å; L235-F285 HydrophobicContact CD1-CE2 4.41Å; L235-F285 HydrophobicContact CD1-CZ 4.15Å; L235-F285 HydrophobicContact CD2-CD1 4.15Å; L235-F285 HydrophobicContact CD2-CG 4.31Å
236C95.5Very high93.3Very high51 Ų5148.8 Ų48.835%0.34524%0.237SC..Hα-helixtrans-56-46.6173.3-73.10000111.4A232 K233 L234 V239 V262A232-C236 PolarHBondContact O-N 2.98Å; A232-C236 PolarHBondContact O-SG 3.42Å; A232-C236 VanDerWaalsContact O-SG 3.37Å; K233-C236 PolarHBondContact O-N 2.99Å; L234-C236 PolarHBondContact O-N 3.36Å; C236-V239 PolarHBondContact O-N 3.29Å; C236-V262 HydrophobicContact CB-CG2 4.38Å; C236-V262 VanDerWaalsContact SG-CG2 3.55Å
237T97.1Very high94Very high5 Ų541.8 Ų41.83%0.03120%0.204CC..Hα-helixtrans-65.6-43179.2-52.50000111.2I205 T206 L209 K233 L234 L235 V239 E240I205-T237 HydrophobicContact CD1-CG2 3.95Å; I205-T237 HydrophobicContact CG1-CG2 3.89Å; T206-T237 HydrophobicContact CG2-CG2 4.35Å; L209-T237 HydrophobicContact CD1-CG2 4.39Å; L209-T237 HydrophobicContact CD2-CG2 3.89Å; L209-T237 HydrophobicContact CG-CG2 3.96Å; K233-T237 PolarHBondContact O-N 3.4Å; K233-T237 PolarHBondContact O-OG1 2.85Å; L234-T237 PolarHBondContact O-N 2.7Å; L235-T237 VanDerWaalsContact C-N 3.3Å; L235-T237 PolarHBondContact O-N 2.88Å; T237-V239 VanDerWaalsContact C-N 3.3Å; T237-V239 PolarHBondContact O-N 2.9Å; T237-E240 PolarHBondContact O-N 3.31Å; T237-E240 VanDerWaalsContact O-N 3.11Å
238V97Very high94.6Very high0 Ų034.9 Ų34.90%018%0.178CC..Hα-helixtrans-56.8-43.8178.9162.60000111.6I205 M220 L234 L235 E240 L241 L247 F266 L272I205-V238 HydrophobicContact CD1-CG2 3.93Å; M220-V238 HydrophobicContact CE-CG2 3.35Å; L234-V238 HydrophobicContact CD2-CG2 3.99Å; L234-V238 WeakPolarHBondContact O-CG2 3.25Å; L234-V238 PolarHBondContact O-N 3.26Å; L235-V238 PolarHBondContact O-N 3.21Å; V238-E240 PolarHBondContact O-N 2.82Å; V238-E240 VanDerWaalsContact O-N 3.13Å; V238-L241 WeakPolarHBondContact O-CB 3.5Å; V238-L241 PolarHBondContact O-N 2.79Å; V238-L247 HydrophobicContact CG1-CD1 4.1Å; V238-L247 HydrophobicContact CG1-CD2 3.48Å; V238-L247 VanDerWaalsContact CG1-CD2 3.48Å; V238-L247 HydrophobicContact CG1-CG 4.45Å; V238-L247 HydrophobicContact CG2-CD1 4.22Å; V238-F266 HydrophobicContact CG1-CD2 4.32Å; V238-F266 HydrophobicContact CG1-CE2 3.86Å; V238-L272 HydrophobicContact CG1-CD1 3.99Å; V238-L272 VanDerWaalsContact O-CD2 3.31Å; V238-L272 WeakPolarHBondContact O-CD2 3.4Å
239V95.6Very high95.1Very high7 Ų730.8 Ų30.84%0.04215%0.154CC..Hα-helixtrans-60.5-24.7-179173.40000112.6L235 C236 T237 N242 K265 F266 A271L235-V239 WeakPolarHBondContact O-CG2 3.43Å; L235-V239 PolarHBondContact O-N 3.35Å; L235-V239 VanDerWaalsContact O-N 3.09Å; C236-V239 PolarHBondContact O-N 3.29Å; T237-V239 VanDerWaalsContact C-N 3.3Å; T237-V239 PolarHBondContact O-N 2.9Å; V239-N242 PolarHBondContact O-OD1 2.82Å; V239-N242 VanDerWaalsContact O-OD1 3.06Å; V239-K265 HydrophobicContact CB-CD 4.38Å; V239-K265 HydrophobicContact CG1-CD 3.76Å; V239-K265 HydrophobicContact CG1-CG 3.94Å; V239-F266 HydrophobicContact CG2-CB 3.94Å; V239-F266 HydrophobicContact CG2-CD2 3.88Å; V239-F266 HydrophobicContact CG2-CG 4.43Å; V239-A271 HydrophobicContact CG1-CB 3.83Å; V239-A271 HydrophobicContact CG2-CB 4.4Å
240E96.7Very high95.5Very high75 Ų7524 Ų2435%0.3512%0.122SC..THydrogen-bonded Turntrans-84.8-7.3177.3-64.2-175.7-13700114L209 T237 V238 N242L209-E240 HydrophobicContact CD2-CB 3.61Å; T237-E240 PolarHBondContact O-N 3.31Å; T237-E240 VanDerWaalsContact O-N 3.11Å; V238-E240 PolarHBondContact O-N 2.82Å; V238-E240 VanDerWaalsContact O-N 3.13Å; E240-N242 PolarHBondContact O-N 3.29Å; E240-N242 PolarHBondContact O-OD1 2.81Å
241L97.4Very high95.5Very high0 Ų023.7 Ų23.70%012%0.12CC..  trans-86.162.1179.1-58.6176.7000111L208 L209 R212 L215 L218 V238 Q243 L244 L272L208-L241 HydrophobicContact CB-CD1 4.48Å; L208-L241 HydrophobicContact CB-CD2 4.23Å; L209-L241 HydrophobicContact CD2-CD2 4.18Å; R212-L241 HydrophobicContact CB-CD2 3.76Å; L215-L241 HydrophobicContact CD2-CD1 4.27Å; L218-L241 HydrophobicContact CD2-CD1 3.87Å; V238-L241 WeakPolarHBondContact O-CB 3.5Å; V238-L241 PolarHBondContact O-N 2.79Å; L241-Q243 PolarHBondContact O-N 2.84Å; L241-L244 HydrophobicContact CB-CD1 3.53Å; L241-L244 HydrophobicContact CB-CG 3.77Å; L241-L244 HydrophobicContact CD1-CD1 3.88Å; L241-L244 HydrophobicContact CG-CD1 4.36Å; L241-L244 WeakPolarHBondContact O-CB 3.45Å; L241-L244 WeakPolarHBondContact O-CG 3.31Å; L241-L244 PolarHBondContact O-N 3.33Å; L241-L272 WeakPolarHBondContact O-CD2 3.37Å
242N94.4Very high95.4Very high74 Ų7429 Ų2940%0.39614%0.143SC..THydrogen-bonded Turntrans-60.8-17.7-165.7-62.2-11.2000115.8V239 E240 F274V239-N242 PolarHBondContact O-OD1 2.82Å; V239-N242 VanDerWaalsContact O-OD1 3.06Å; E240-N242 PolarHBondContact O-N 3.29Å; E240-N242 PolarHBondContact O-OD1 2.81Å; N242-F274 WeakPolarHBondContact O-CD2 3.41Å
243Q97.3Very high94.9Very high64 Ų6428.7 Ų28.730%0.29914%0.139SC..THydrogen-bonded Turntrans-89.3-1.6178.4-62.2-60.5-40.700114R212 L215 L241 R245R212-Q243 WeakPolarHBondContact O-CB 3.37Å; R212-Q243 WeakPolarHBondContact O-CG 3.38Å; L215-Q243 CarbonylContact O-C 3.42Å; L241-Q243 PolarHBondContact O-N 2.84Å; Q243-R245 PolarHBondContact O-N 3.03Å
244L98.1Very high94.2Very high0 Ų027.8 Ų27.80%013%0.133CC..  trans-63.5134.5-179.7-75.4177.5000112L215 L218 L241 L247 L272 F274 L275L215-L244 HydrophobicContact CD2-CD2 4.19Å; L215-L244 HydrophobicContact CG-CD2 3.96Å; L215-L244 PolarHBondContact O-N 2.85Å; L218-L244 HydrophobicContact CB-CD1 4.46Å; L218-L244 HydrophobicContact CB-CD2 3.83Å; L241-L244 HydrophobicContact CB-CD1 3.53Å; L241-L244 HydrophobicContact CB-CG 3.77Å; L241-L244 HydrophobicContact CD1-CD1 3.88Å; L241-L244 HydrophobicContact CG-CD1 4.36Å; L241-L244 WeakPolarHBondContact O-CB 3.45Å; L241-L244 WeakPolarHBondContact O-CG 3.31Å; L241-L244 PolarHBondContact O-N 3.33Å; L244-L247 HydrophobicContact CD1-CD1 4.17Å; L244-L272 HydrophobicContact CB-CD2 4.15Å; L244-L272 HydrophobicContact CD1-CD2 4.15Å; L244-F274 CarbonylContact O-C 3.39Å; L244-L275 PolarHBondContact O-N 3.25Å
245R98.4Very high92.9Very high70 Ų7034.3 Ų34.326%0.26417%0.168SC..SBendtrans-112.6-30.4171.3-58.6-179.5177.2-109.3-4.1111.4N216 Q243 F274 E276 H277N216-R245 WeakPolarHBondContact O-CA 3.49Å; N216-R245 PolarHBondContact O-N 2.82Å; Q243-R245 PolarHBondContact O-N 3.03Å; R245-F274 HydrophobicContact CG-CB 4.24Å; R245-F274 WeakPolarHBondContact CG-O 3.27Å; R245-E276 HydrophobicContact CB-CB 4.48Å; R245-E276 HydrophobicContact CB-CG 4.43Å; R245-E276 IonicContact CZ-OE1 3.74Å; R245-E276 IonicContact NH1-OE1 2.68Å; R245-E276 PolarHBondContact NH1-OE1 3.21Å; R245-E276 CarbonylContact O-C 3.53Å; R245-E276 WeakPolarHBondContact O-CA 3.37Å; R245-E276 PolarHBondContact O-N 2.97Å; R245-H277 PolarHBondContact O-N 3.08Å
246I98.5Very high91.3Very high13 Ų1340.2 Ų40.27%0.06721%0.21CC..EExtended strand (participates in β ladder)trans-122.8122179.3-53.8174000108.7Y4 Y194 N216 G217 L218 H277Y4-I246 HydrophobicContact CE2-CD1 3.67Å; Y4-I246 WeakPolarHBondContact OH-CD1 3.46Å; Y194-I246 HydrophobicContact CD1-CD1 4.22Å; Y194-I246 HydrophobicContact CE1-CD1 3.67Å; N216-I246 PolarHBondContact O-N 2.58Å; G217-I246 CarbonylContact C-O 3.34Å; G217-I246 VanDerWaalsContact CA-O 3.31Å; G217-I246 WeakPolarHBondContact CA-O 3.12Å; L218-I246 PolarHBondContact N-O 3.17Å; I246-H277 CarbonylContact C-O 3.41Å; I246-H277 WeakPolarHBondContact CA-O 3.24Å; I246-H277 HydrophobicContact CB-CB 4.37Å; I246-H277 HydrophobicContact CG1-CB 4.13Å; I246-H277 HydrophobicContact CG2-CB 4.23Å
247L98.2Very high89.8Confident0 Ų039.8 Ų39.80%021%0.206CC..EExtended strand (participates in β ladder)trans-131121.9174.5179.466.5000109.9L218 M220 V238 L244 V249 F266 L272 L275 H277 I278 D279L218-L247 HydrophobicContact CB-CD1 4.49Å; L218-L247 WeakPolarHBondContact O-CA 3.46Å; M220-L247 HydrophobicContact CE-CD1 3.97Å; V238-L247 HydrophobicContact CG1-CD1 4.1Å; V238-L247 HydrophobicContact CG1-CD2 3.48Å; V238-L247 VanDerWaalsContact CG1-CD2 3.48Å; V238-L247 HydrophobicContact CG1-CG 4.45Å; V238-L247 HydrophobicContact CG2-CD1 4.22Å; L244-L247 HydrophobicContact CD1-CD1 4.17Å; L247-V249 HydrophobicContact CD1-CG1 3.67Å; L247-V249 HydrophobicContact CD2-CG1 4.45Å; L247-V249 HydrophobicContact CG-CG1 3.99Å; L247-F266 HydrophobicContact CD2-CE2 3.82Å; L247-F266 HydrophobicContact CD2-CZ 3.95Å; L247-L272 HydrophobicContact CD2-CD1 3.88Å; L247-L275 HydrophobicContact CB-CD1 3.92Å; L247-H277 PolarHBondContact N-O 2.96Å; L247-I278 HydrophobicContact CD2-CD1 4.38Å; L247-I278 CarbonylContact O-C 3.59Å; L247-I278 VanDerWaalsContact O-CA 3.27Å; L247-I278 WeakPolarHBondContact O-CA 3.41Å; L247-D279 PolarHBondContact O-N 3.05Å
248D97.2Very high89Confident4 Ų442.2 Ų42.22%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-125.4108.5171.9-175.4-21.2000109.5L218 I219 M220 S250 D279 R352L218-D248 PolarHBondContact O-N 3.33Å; I219-D248 HydrophobicContact CB-CB 4.21Å; I219-D248 HydrophobicContact CG1-CB 4.2Å; I219-D248 HydrophobicContact CG2-CB 3.8Å; M220-D248 CarbonylContact C-O 3.5Å; M220-D248 WeakPolarHBondContact CG-O 3.45Å; M220-D248 PolarHBondContact N-O 2.73Å; D248-S250 VanDerWaalsContact OD1-CB 3.31Å; D248-S250 WeakPolarHBondContact OD1-CB 3.09Å; D248-S250 PolarHBondContact OD1-N 2.97Å; D248-S250 PolarHBondContact OD1-OG 2.74Å; D248-D279 HydrophobicContact CB-CB 4.13Å; D248-R352 IonicContact OD1-NH2 2.79Å; D248-R352 IonicContact OD2-CZ 2.76Å; D248-R352 IonicContact OD2-NH2 3.98Å; D248-R352 PolarHBondContact OD2-NH2 3.14Å
249V95.6Very high88.7Confident2 Ų245.8 Ų45.81%0.01225%0.245CC..  trans-12029.2178.9-66.40000109.8M220 L234 L247 D279 L280 Q284 F285M220-V249 HydrophobicContact CE-CG1 3.26Å; M220-V249 HydrophobicContact CG-CG1 3.93Å; M220-V249 HydrophobicContact SD-CG1 4.37Å; L234-V249 HydrophobicContact CD2-CG1 4.2Å; L247-V249 HydrophobicContact CD1-CG1 3.67Å; L247-V249 HydrophobicContact CD2-CG1 4.45Å; L247-V249 HydrophobicContact CG-CG1 3.99Å; V249-D279 CarbonylContact C-O 3.59Å; V249-D279 PolarHBondContact N-O 3.21Å; V249-L280 HydrophobicContact CG2-CD2 3.54Å; V249-Q284 PolarHBondContact O-NE2 2.92Å; V249-F285 HydrophobicContact CB-CE2 4.09Å; V249-F285 HydrophobicContact CB-CZ 4.05Å; V249-F285 HydrophobicContact CG2-CE2 3.6Å; V249-F285 HydrophobicContact CG2-CZ 4.01Å
250S93.9Very high88.5Confident0 Ų047 Ų470%025%0.249CC..  trans-68.4141.4179.861.30000111.2H221 R222 D248 D279 S281 R352 Y355H221-S250 WeakPolarHBondContact CA-O 3.21Å; H221-S250 PolarHBondContact ND1-O 3.44Å; H221-S250 PolarHBondContact ND1-OG 2.79Å; R222-S250 PolarHBondContact N-O 3.22Å; R222-S250 VanDerWaalsContact N-O 3.09Å; D248-S250 VanDerWaalsContact OD1-CB 3.31Å; D248-S250 WeakPolarHBondContact OD1-CB 3.09Å; D248-S250 PolarHBondContact OD1-N 2.97Å; D248-S250 PolarHBondContact OD1-OG 2.74Å; S250-D279 PolarHBondContact N-O 3.5Å; S250-S281 CarbonylContact C-O 3.59Å; S250-S281 VanDerWaalsContact CA-O 3.24Å; S250-S281 WeakPolarHBondContact CA-O 3.41Å; S250-S281 WeakPolarHBondContact CB-O 3.34Å; S250-R352 PolarHBondContact OG-NH1 3.12Å; S250-Y355 WeakPolarHBondContact CB-OH 3.29Å
251D91.4Very high88.2Confident15 Ų1551.6 Ų51.68%0.0827%0.271CS..  trans-140.5171.9177.4-1613.1000110.9R222 R254 S281 G282 Q284 Y355R222-D251 WeakPolarHBondContact CG-OD1 3.42Å; D251-R254 IonicContact OD2-NE 3.87Å; D251-R254 IonicContact OD2-NH2 2.83Å; D251-R254 PolarHBondContact OD2-NH2 2.84Å; D251-S281 PolarHBondContact N-O 3.36Å; D251-G282 WeakPolarHBondContact O-CA 3.45Å; D251-Q284 HydrophobicContact CB-CB 4.23Å; D251-Q284 HydrophobicContact CB-CG 4.36Å; D251-Y355 PolarHBondContact N-OH 3.49Å; D251-Y355 VanDerWaalsContact N-OH 3.17Å; D251-Y355 WeakPolarHBondContact O-CE1 3.21Å; D251-Y355 PolarHBondContact O-OH 2.94Å
252K86.4Confident88Confident112 Ų11252.4 Ų52.449%0.48728%0.276SS..  trans-58.7144.1161.8-65.9-178.4-173.4173.50107.9
253P81.7Confident88Confident18 Ų1848.9 Ų48.912%0.11726%0.257CS..  trans-68.3145.8174.136.2-41.4000110.7G282 S309 L311 F354P253-G282 VanDerWaalsContact CA-O 3.25Å; P253-G282 WeakPolarHBondContact CA-O 3.17Å; P253-G282 WeakPolarHBondContact CB-O 3.43Å; P253-S309 WeakPolarHBondContact CG-OG 3.45Å; P253-L311 HydrophobicContact CB-CB 4.07Å; P253-L311 HydrophobicContact CB-CD1 3.28Å; P253-L311 HydrophobicContact CB-CG 3.39Å; P253-L311 HydrophobicContact CG-CD1 3.52Å; P253-L311 HydrophobicContact CG-CG 3.68Å; P253-F354 HydrophobicContact CG-CD1 4.18Å; P253-F354 HydrophobicContact CG-CE1 3.29Å; P253-F354 HydrophobicContact CG-CE2 4.47Å; P253-F354 HydrophobicContact CG-CZ 3.44Å; P253-F354 VanDerWaalsContact CG-CZ 3.44Å
254R78.4Confident87.9Confident66 Ų6650.3 Ų50.325%0.24927%0.266CS..  trans-104.2146.6-179.6-65-178.3-173.2-142.9-1.6109.4L225 I231 D251 S256 V257L225-R254 VanDerWaalsContact O-CZ 3.25Å; L225-R254 PolarHBondContact O-NH1 3.04Å; L225-R254 PolarHBondContact O-NH2 3.09Å; I231-R254 VanDerWaalsContact CD1-CZ 3.44Å; D251-R254 IonicContact OD2-NE 3.87Å; D251-R254 IonicContact OD2-NH2 2.83Å; D251-R254 PolarHBondContact OD2-NH2 2.84Å; R254-S256 PolarHBondContact O-N 2.89Å; R254-V257 HydrophobicContact CB-CG2 3.52Å; R254-V257 HydrophobicContact CG-CG2 4.47Å
255N68.3Low87.8Confident143 Ų14355.4 Ų55.477%0.76529%0.289SS*.SBendtrans-67.6126.6174.5-69.1-9.3000109.1V257N255-V257 PolarHBondContact O-N 2.82Å
256S59.6Low87.6Confident126 Ų12652.1 Ų52.188%0.88128%0.276SS*.SBendtrans47.862.1165.458.60000115.2R254R254-S256 PolarHBondContact O-N 2.89Å
257V65.2Low87.5Confident42 Ų4252 Ų5226%0.25528%0.276SS..PPolyproline II helixtrans-92.6124.3170-172.50000108.6R254 N255 Y260R254-V257 HydrophobicContact CB-CG2 3.52Å; R254-V257 HydrophobicContact CG-CG2 4.47Å; N255-V257 PolarHBondContact O-N 2.82Å; V257-Y260 HydrophobicContact CG1-CD2 4.35Å; V257-Y260 HydrophobicContact CG1-CE2 3.43Å; V257-Y260 VanDerWaalsContact CG1-CE2 3.43Å
258G80.7Confident87.4Confident56 Ų5653.2 Ų53.258%0.57729%0.285SS*.PPolyproline II helixtrans-65.2150.2169.600000110.9Y260G258-Y260 PolarHBondContact O-N 3.28Å
259R89.4Confident87.1Confident74 Ų7457.1 Ų57.128%0.27931%0.31SS..PPolyproline II helixtrans-58.9126.1174.8-176.9-176.9179.9-89.98.9110V263 D264 G286 D291R259-V263 HydrophobicContact CG-CB 4.45Å; R259-V263 HydrophobicContact CG-CG2 4.37Å; R259-D264 IonicContact CZ-OD1 2.7Å; R259-D264 IonicContact CZ-OD2 3.55Å; R259-D264 IonicContact NH1-OD1 3.98Å; R259-D264 PolarHBondContact NH1-OD1 2.82Å; R259-D264 IonicContact NH1-OD2 3.7Å; R259-D264 PolarHBondContact NH1-OD2 3.16Å; R259-D264 IonicContact NH2-OD1 2.69Å; R259-D264 PolarHBondContact NH2-OD1 2.9Å; R259-D264 IonicContact NH2-OD2 3.71Å; R259-G286 WeakPolarHBondContact CA-O 3.23Å; R259-G286 VanDerWaalsContact CB-O 3.23Å; R259-G286 WeakPolarHBondContact CB-O 3.37Å; R259-G286 WeakPolarHBondContact CG-O 3.11Å; R259-D291 WeakPolarHBondContact CD-OD2 3.33Å; R259-D291 IonicContact CZ-OD1 3.34Å; R259-D291 IonicContact CZ-OD2 3.46Å; R259-D291 VanDerWaalsContact NE-CG 3.31Å; R259-D291 IonicContact NE-OD1 3.72Å; R259-D291 PolarHBondContact NE-OD1 3.26Å; R259-D291 VanDerWaalsContact NE-OD1 3.16Å; R259-D291 IonicContact NE-OD2 2.69Å; R259-D291 PolarHBondContact NE-OD2 3.35Å; R259-D291 IonicContact NH2-OD1 3.98Å; R259-D291 PolarHBondContact NH2-OD1 2.66Å; R259-D291 IonicContact NH2-OD2 2.68Å
260Y91.3Very high87Confident32 Ų3263.7 Ų63.713%0.12534%0.341CS..PPolyproline II helixtrans-76.2144.4175.4-67.2-88.3000111.7T228 I231 A232 V257 G258 V262 V263 F285T228-Y260 WeakPolarHBondContact CB-OH 3.36Å; T228-Y260 WeakPolarHBondContact O-CE1 3.18Å; T228-Y260 PolarHBondContact O-OH 3.42Å; I231-Y260 HydrophobicContact CB-CE2 4.5Å; I231-Y260 HydrophobicContact CG2-CE2 3.95Å; A232-Y260 HydrophobicContact CB-CD1 3.77Å; A232-Y260 HydrophobicContact CB-CE1 4.03Å; V257-Y260 HydrophobicContact CG1-CD2 4.35Å; V257-Y260 HydrophobicContact CG1-CE2 3.43Å; V257-Y260 VanDerWaalsContact CG1-CE2 3.43Å; G258-Y260 PolarHBondContact O-N 3.28Å; Y260-V262 VanDerWaalsContact C-N 3.28Å; Y260-V262 PolarHBondContact O-N 3.37Å; Y260-V263 VanDerWaalsContact O-CB 3.25Å; Y260-V263 WeakPolarHBondContact O-CB 3.34Å; Y260-V263 VanDerWaalsContact O-CG2 3.24Å; Y260-V263 WeakPolarHBondContact O-CG2 3.25Å; Y260-V263 PolarHBondContact O-N 2.9Å; Y260-V263 VanDerWaalsContact O-N 3.14Å; Y260-F285 HydrophobicContact CD2-CB 4.19Å; Y260-F285 WeakPolarHBondContact CD2-O 3.19Å; Y260-F285 PolarHBondContact N-O 2.88Å
261E91.7Very high87.1Confident173 Ų17363.8 Ų63.881%0.80834%0.342SS*.THydrogen-bonded Turntrans-62.3-34.2177.9-64.6-178.8171.300112.9V263 D264E261-V263 PolarHBondContact O-N 3.41Å; E261-D264 PolarHBondContact O-N 3.22Å; E261-D264 VanDerWaalsContact O-N 3.1Å
262V92.8Very high87.3Confident17 Ų1763 Ų6310%0.10334%0.338CS..Hα-helixtrans-61.5-16.6177.455.10000113.2A232 L235 C236 Y260 D264 K265 F266A232-V262 HydrophobicContact CB-CG1 4.44Å; L235-V262 HydrophobicContact CB-CG1 3.94Å; L235-V262 HydrophobicContact CB-CG2 4Å; L235-V262 HydrophobicContact CD2-CB 4.49Å; L235-V262 HydrophobicContact CD2-CG1 3.88Å; L235-V262 HydrophobicContact CD2-CG2 4.17Å; L235-V262 HydrophobicContact CG-CG1 4.37Å; L235-V262 HydrophobicContact CG-CG2 4.1Å; C236-V262 HydrophobicContact CB-CG2 4.38Å; C236-V262 VanDerWaalsContact SG-CG2 3.55Å; Y260-V262 VanDerWaalsContact C-N 3.28Å; Y260-V262 PolarHBondContact O-N 3.37Å; V262-D264 PolarHBondContact O-N 3.45Å; V262-K265 PolarHBondContact O-N 3.46Å; V262-F266 WeakPolarHBondContact O-CB 3.48Å; V262-F266 PolarHBondContact O-N 2.77Å
263V94.8Very high87.7Confident0 Ų060.6 Ų60.60%033%0.333CS..Hα-helixtrans-58.4-34.8173.7175.80000111.4L235 R259 Y260 E261 F266 C267 F285 L287 D291L235-V263 HydrophobicContact CD2-CG2 4.17Å; R259-V263 HydrophobicContact CG-CB 4.45Å; R259-V263 HydrophobicContact CG-CG2 4.37Å; Y260-V263 VanDerWaalsContact O-CB 3.25Å; Y260-V263 WeakPolarHBondContact O-CB 3.34Å; Y260-V263 VanDerWaalsContact O-CG2 3.24Å; Y260-V263 WeakPolarHBondContact O-CG2 3.25Å; Y260-V263 PolarHBondContact O-N 2.9Å; Y260-V263 VanDerWaalsContact O-N 3.14Å; E261-V263 PolarHBondContact O-N 3.41Å; V263-F266 PolarHBondContact O-N 2.88Å; V263-C267 PolarHBondContact O-N 3.19Å; V263-C267 PolarHBondContact O-SG 2.93Å; V263-F285 HydrophobicContact CG2-CB 4.17Å; V263-L287 HydrophobicContact CG1-CD2 4.33Å; V263-L287 HydrophobicContact CG1-CG 4.08Å; V263-L287 HydrophobicContact CG2-CG 4.47Å; V263-D291 HydrophobicContact CG1-CB 3.9Å
264D94.6Very high88.5Confident94 Ų9462.6 Ų62.650%0.50334%0.34SS..Hα-helixtrans-62.7-45.4177.2-69.1-53.6000111.5R259 E261 V262 F266 C267 S268R259-D264 IonicContact CZ-OD1 2.7Å; R259-D264 IonicContact CZ-OD2 3.55Å; R259-D264 IonicContact NH1-OD1 3.98Å; R259-D264 PolarHBondContact NH1-OD1 2.82Å; R259-D264 IonicContact NH1-OD2 3.7Å; R259-D264 PolarHBondContact NH1-OD2 3.16Å; R259-D264 IonicContact NH2-OD1 2.69Å; R259-D264 PolarHBondContact NH2-OD1 2.9Å; R259-D264 IonicContact NH2-OD2 3.71Å; E261-D264 PolarHBondContact O-N 3.22Å; E261-D264 VanDerWaalsContact O-N 3.1Å; V262-D264 PolarHBondContact O-N 3.45Å; D264-F266 VanDerWaalsContact C-N 3.33Å; D264-F266 PolarHBondContact O-N 3.16Å; D264-C267 PolarHBondContact O-N 3.4Å; D264-S268 PolarHBondContact O-N 3.46Å
265K94.9Very high89.4Confident107 Ų10759.5 Ų59.547%0.46533%0.328SS..Hα-helixtrans-65.9-37.5175.6-160.7-165.8177.7-175.90111.4V239 V262 S268 A271V239-K265 HydrophobicContact CB-CD 4.38Å; V239-K265 HydrophobicContact CG1-CD 3.76Å; V239-K265 HydrophobicContact CG1-CG 3.94Å; V262-K265 PolarHBondContact O-N 3.46Å; K265-S268 PolarHBondContact O-N 3.24Å; K265-S268 PolarHBondContact O-OG 2.94Å; K265-A271 VanDerWaalsContact O-CB 3.27Å; K265-A271 WeakPolarHBondContact O-CB 3.15Å
266F95.5Very high90.8Very high1 Ų155.7 Ų55.70%0.00431%0.306CS..Hα-helixtrans-69-33.2-179.9179.5-107.3000113.5L235 V238 V239 L247 V262 V263 D264 S268 L272 I278 L280 L295L235-F266 HydrophobicContact CD1-CB 4.32Å; L235-F266 HydrophobicContact CD1-CD1 4.2Å; L235-F266 HydrophobicContact CD1-CD2 3.52Å; L235-F266 HydrophobicContact CD1-CE1 4.37Å; L235-F266 HydrophobicContact CD1-CE2 3.72Å; L235-F266 HydrophobicContact CD1-CG 3.76Å; L235-F266 HydrophobicContact CD1-CZ 4.12Å; L235-F266 HydrophobicContact CD2-CB 3.78Å; L235-F266 HydrophobicContact CD2-CD1 4.37Å; L235-F266 HydrophobicContact CD2-CG 3.99Å; L235-F266 HydrophobicContact CG-CB 4Å; L235-F266 HydrophobicContact CG-CD2 4.01Å; L235-F266 HydrophobicContact CG-CG 3.99Å; V238-F266 HydrophobicContact CG1-CD2 4.32Å; V238-F266 HydrophobicContact CG1-CE2 3.86Å; V239-F266 HydrophobicContact CG2-CB 3.94Å; V239-F266 HydrophobicContact CG2-CD2 3.88Å; V239-F266 HydrophobicContact CG2-CG 4.43Å; L247-F266 HydrophobicContact CD2-CE2 3.82Å; L247-F266 HydrophobicContact CD2-CZ 3.95Å; V262-F266 WeakPolarHBondContact O-CB 3.48Å; V262-F266 PolarHBondContact O-N 2.77Å; V263-F266 PolarHBondContact O-N 2.88Å; D264-F266 VanDerWaalsContact C-N 3.33Å; D264-F266 PolarHBondContact O-N 3.16Å; F266-S268 VanDerWaalsContact C-N 3.33Å; F266-L272 HydrophobicContact CD2-CD1 4.32Å; F266-L272 HydrophobicContact CE2-CD1 3.69Å; F266-I278 HydrophobicContact CE1-CD1 3.93Å; F266-I278 HydrophobicContact CZ-CD1 3.46Å; F266-I278 VanDerWaalsContact CZ-CD1 3.46Å; F266-L280 HydrophobicContact CE1-CD1 4.32Å; F266-L280 HydrophobicContact CE1-CD2 4.14Å; F266-L280 HydrophobicContact CZ-CD2 4.26Å; F266-L295 HydrophobicContact CD1-CD1 4.37Å; F266-L295 HydrophobicContact CE1-CD1 4Å
267C95.7Very high92.6Very high10 Ų1050 Ų507%0.06827%0.265CS..THydrogen-bonded Turntrans-87.6-2.1178-580000113V263 D264 A294 S298V263-C267 PolarHBondContact O-N 3.19Å; V263-C267 PolarHBondContact O-SG 2.93Å; D264-C267 PolarHBondContact O-N 3.4Å; C267-A294 HydrophobicContact CB-CB 4.12Å; C267-S298 VanDerWaalsContact O-CB 3.32Å; C267-S298 WeakPolarHBondContact O-CB 3.11Å; C267-S298 PolarHBondContact O-OG 3.11Å
268S95.3Very high94.2Very high25 Ų2548 Ų4818%0.17525%0.253CS..SBendtrans-74.3152.5-177.893.40000111.9D264 K265 F266 E270 A271D264-S268 PolarHBondContact O-N 3.46Å; K265-S268 PolarHBondContact O-N 3.24Å; K265-S268 PolarHBondContact O-OG 2.94Å; F266-S268 VanDerWaalsContact C-N 3.33Å; S268-E270 WeakPolarHBondContact CB-OE2 3.33Å; S268-E270 PolarHBondContact O-N 2.88Å; S268-E270 PolarHBondContact OG-OE2 3.24Å; S268-A271 PolarHBondContact O-N 3.34Å
269P92.6Very high95Very high87 Ų8745.3 Ų45.357%0.56523%0.226SC*.THydrogen-bonded Turntrans-63.3-19.9179.6-21.533.7000114.8
270E93Very high95.2Very high139 Ų13941.9 Ų41.965%0.6521%0.213SC*.THydrogen-bonded Turntrans-80.8-22.8178.7-54.376-162.300112.5S268S268-E270 WeakPolarHBondContact CB-OE2 3.33Å; S268-E270 PolarHBondContact O-N 2.88Å; S268-E270 PolarHBondContact OG-OE2 3.24Å
271A94.9Very high95.4Very high2 Ų240.4 Ų40.42%0.01721%0.207CC..SBendtrans-74.5138.8176.200000110.4V239 K265 S268 H299V239-A271 HydrophobicContact CG1-CB 3.83Å; V239-A271 HydrophobicContact CG2-CB 4.4Å; K265-A271 VanDerWaalsContact O-CB 3.27Å; K265-A271 WeakPolarHBondContact O-CB 3.15Å; S268-A271 PolarHBondContact O-N 3.34Å; A271-H299 PolarHBondContact O-NE2 2.82Å
272L96.3Very high95.4Very high0 Ų032.2 Ų32.20%017%0.17CC..SBendtrans44.253.9168.4-53.4-179.6000115V238 L241 L244 L247 F266 F274 L275 H299V238-L272 HydrophobicContact CG1-CD1 3.99Å; V238-L272 VanDerWaalsContact O-CD2 3.31Å; V238-L272 WeakPolarHBondContact O-CD2 3.4Å; L241-L272 WeakPolarHBondContact O-CD2 3.37Å; L244-L272 HydrophobicContact CB-CD2 4.15Å; L244-L272 HydrophobicContact CD1-CD2 4.15Å; L247-L272 HydrophobicContact CD2-CD1 3.88Å; F266-L272 HydrophobicContact CD2-CD1 4.32Å; F266-L272 HydrophobicContact CE2-CD1 3.69Å; L272-F274 PolarHBondContact O-N 3.01Å; L272-L275 HydrophobicContact CB-CB 4.08Å; L272-L275 HydrophobicContact CB-CD2 4.29Å; L272-L275 HydrophobicContact CD1-CD1 4.32Å; L272-L275 HydrophobicContact CD1-CD2 4.01Å; L272-L275 VanDerWaalsContact O-CB 3.27Å; L272-L275 WeakPolarHBondContact O-CB 3.27Å; L272-L275 PolarHBondContact O-N 2.68Å; L272-H299 PolarHBondContact O-CD2 3.41Å
273P95.4Very high95.3Very high60 Ų6032.3 Ų32.339%0.3917%0.17SC..THydrogen-bonded Turntrans-62.9-14.5-168.525.6-37000115.2
274F97.1Very high95Very high60 Ų6032.7 Ų32.726%0.26317%0.171SC..THydrogen-bonded Turntrans-105.510.2178.7-57.9-67000113.9N242 L244 R245 L272 E276N242-F274 WeakPolarHBondContact O-CD2 3.41Å; L244-F274 CarbonylContact O-C 3.39Å; R245-F274 HydrophobicContact CG-CB 4.24Å; R245-F274 WeakPolarHBondContact CG-O 3.27Å; L272-F274 PolarHBondContact O-N 3.01Å; F274-E276 PolarHBondContact O-N 3.27Å
275L97.8Very high94.8Very high1 Ų128.3 Ų28.31%0.00515%0.148CC..  trans-62.9125.2-175.3-162.265000112.1L244 L247 L272 I278 R301 L302L244-L275 PolarHBondContact O-N 3.25Å; L247-L275 HydrophobicContact CB-CD1 3.92Å; L272-L275 HydrophobicContact CB-CB 4.08Å; L272-L275 HydrophobicContact CB-CD2 4.29Å; L272-L275 HydrophobicContact CD1-CD1 4.32Å; L272-L275 HydrophobicContact CD1-CD2 4.01Å; L272-L275 VanDerWaalsContact O-CB 3.27Å; L272-L275 WeakPolarHBondContact O-CB 3.27Å; L272-L275 PolarHBondContact O-N 2.68Å; L275-I278 HydrophobicContact CD2-CB 4.02Å; L275-I278 HydrophobicContact CD2-CD1 3.73Å; L275-I278 HydrophobicContact CD2-CG1 4.34Å; L275-I278 HydrophobicContact CG-CB 4.5Å; L275-R301 CarbonylContact O-C 3.37Å; L275-R301 WeakPolarHBondContact O-CB 3.48Å; L275-L302 HydrophobicContact CB-CD2 4.39Å; L275-L302 HydrophobicContact CD2-CD2 4.1Å; L275-L302 HydrophobicContact CG-CD2 3.88Å; L275-L302 PolarHBondContact O-N 3.45Å
276E98.2Very high94.6Very high63 Ų6323.8 Ų23.829%0.29413%0.131SC..  trans-115.2-26.5179.7-69.7169.9-163.800112R245 F274 R301 T303 F304R245-E276 HydrophobicContact CB-CB 4.48Å; R245-E276 HydrophobicContact CB-CG 4.43Å; R245-E276 IonicContact CZ-OE1 3.74Å; R245-E276 IonicContact NH1-OE1 2.68Å; R245-E276 PolarHBondContact NH1-OE1 3.21Å; R245-E276 CarbonylContact O-C 3.53Å; R245-E276 WeakPolarHBondContact O-CA 3.37Å; R245-E276 PolarHBondContact O-N 2.97Å; F274-E276 PolarHBondContact O-N 3.27Å; E276-R301 WeakPolarHBondContact CA-O 3.34Å; E276-R301 HydrophobicContact CG-CB 4.37Å; E276-T303 PolarHBondContact O-N 3.12Å; E276-T303 PolarHBondContact O-OG1 2.68Å; E276-F304 PolarHBondContact O-N 3.03Å
277H98.2Very high94.4Very high6 Ų623.9 Ų23.93%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-142121.3-173.5-178.1-73.7000109.7R245 I246 L247 F304 R348R245-H277 PolarHBondContact O-N 3.08Å; I246-H277 CarbonylContact C-O 3.41Å; I246-H277 WeakPolarHBondContact CA-O 3.24Å; I246-H277 HydrophobicContact CB-CB 4.37Å; I246-H277 HydrophobicContact CG1-CB 4.13Å; I246-H277 HydrophobicContact CG2-CB 4.23Å; L247-H277 PolarHBondContact N-O 2.96Å; H277-F304 WeakPolarHBondContact CD2-CB 3.35Å; H277-F304 AromaticContact CD2-CD1 3.3Å; H277-F304 WeakPolarHBondContact CD2-CD1 3.24Å; H277-F304 AromaticContact CD2-CG 3.35Å; H277-F304 WeakPolarHBondContact CD2-CG 3.22Å; H277-F304 AromaticContact CE1-CD1 3.33Å; H277-F304 WeakPolarHBondContact CE1-CD1 3.39Å; H277-F304 AromaticContact CE1-CE1 3.43Å; H277-F304 VanDerWaalsContact CE1-CE1 3.43Å; H277-F304 WeakPolarHBondContact CE1-CE1 3.26Å; H277-F304 AromaticContact CG-CD1 3.96Å; H277-F304 AromaticContact NE2-CD1 2.82Å; H277-F304 WeakPolarHBondContact NE2-CD1 3.29Å; H277-F304 AromaticContact NE2-CD2 3.84Å; H277-F304 AromaticContact NE2-CE1 3.16Å; H277-F304 WeakPolarHBondContact NE2-CE1 3.28Å; H277-F304 AromaticContact NE2-CG 3.19Å; H277-F304 WeakPolarHBondContact NE2-CG 3.5Å; H277-F304 AromaticContact NE2-CZ 3.81Å; H277-R348 PolarHBondContact CE1-NH2 3.04Å; H277-R348 PolarHBondContact NE2-NH1 3.28Å; H277-R348 VanDerWaalsContact NE2-NH1 3.13Å; H277-R348 PolarHBondContact NE2-NH2 3.32Å
278I97.7Very high94.3Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-131.4135.8177.5-169.9162.2000111.8L247 F266 L275 L280 L295 L302 F304 A305 G306L247-I278 HydrophobicContact CD2-CD1 4.38Å; L247-I278 CarbonylContact O-C 3.59Å; L247-I278 VanDerWaalsContact O-CA 3.27Å; L247-I278 WeakPolarHBondContact O-CA 3.41Å; F266-I278 HydrophobicContact CE1-CD1 3.93Å; F266-I278 HydrophobicContact CZ-CD1 3.46Å; F266-I278 VanDerWaalsContact CZ-CD1 3.46Å; L275-I278 HydrophobicContact CD2-CB 4.02Å; L275-I278 HydrophobicContact CD2-CD1 3.73Å; L275-I278 HydrophobicContact CD2-CG1 4.34Å; L275-I278 HydrophobicContact CG-CB 4.5Å; I278-L280 HydrophobicContact CD1-CD1 4.05Å; I278-L280 HydrophobicContact CD1-CD2 4.25Å; I278-L280 HydrophobicContact CD1-CG 4.12Å; I278-L280 HydrophobicContact CG1-CD1 4.33Å; I278-L280 HydrophobicContact CG1-CD2 4.33Å; I278-L280 HydrophobicContact CG1-CG 3.97Å; I278-L295 HydrophobicContact CD1-CD1 4.16Å; I278-L295 HydrophobicContact CD1-CD2 3.89Å; I278-L295 HydrophobicContact CG2-CD2 4.35Å; I278-L302 HydrophobicContact CB-CD2 4.22Å; I278-L302 HydrophobicContact CG2-CD1 4.2Å; I278-L302 HydrophobicContact CG2-CD2 3.75Å; I278-F304 PolarHBondContact N-O 3.26Å; I278-F304 VanDerWaalsContact N-O 3.12Å; I278-F304 VanDerWaalsContact O-CD1 3.26Å; I278-F304 WeakPolarHBondContact O-CD1 3.23Å; I278-F304 VanDerWaalsContact O-CE1 3.32Å; I278-F304 WeakPolarHBondContact O-CE1 3.34Å; I278-A305 HydrophobicContact CG2-CB 3.98Å; I278-A305 CarbonylContact O-C 3.57Å; I278-A305 VanDerWaalsContact O-CA 3.27Å; I278-A305 WeakPolarHBondContact O-CA 3.4Å; I278-G306 PolarHBondContact O-N 3.4Å
279D96.9Very high94.2Very high0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-127.4109.7173.5-161.9-19000110.7L247 D248 V249 S250 S281 F304 R352L247-D279 PolarHBondContact O-N 3.05Å; D248-D279 HydrophobicContact CB-CB 4.13Å; V249-D279 CarbonylContact C-O 3.59Å; V249-D279 PolarHBondContact N-O 3.21Å; S250-D279 PolarHBondContact N-O 3.5Å; D279-S281 VanDerWaalsContact OD1-CB 3.22Å; D279-S281 WeakPolarHBondContact OD1-CB 3.19Å; D279-S281 PolarHBondContact OD1-N 2.97Å; D279-S281 VanDerWaalsContact OD1-N 3.09Å; D279-S281 PolarHBondContact OD1-OG 2.77Å; D279-F304 HydrophobicContact CB-CE1 4.26Å; D279-R352 IonicContact OD1-NH1 3.44Å; D279-R352 IonicContact OD2-CZ 2.82Å; D279-R352 IonicContact OD2-NH1 2.64Å; D279-R352 PolarHBondContact OD2-NH1 2.95Å; D279-R352 IonicContact OD2-NH2 2.74Å
280L95.2Very high94.3Very high3 Ų327.3 Ų27.32%0.01614%0.143CC..  trans-110.216.2-179.9-62.6170.3000111.4V249 F266 I278 G282 N283 F285 L287 L295 G306 F307V249-L280 HydrophobicContact CG2-CD2 3.54Å; F266-L280 HydrophobicContact CE1-CD1 4.32Å; F266-L280 HydrophobicContact CE1-CD2 4.14Å; F266-L280 HydrophobicContact CZ-CD2 4.26Å; I278-L280 HydrophobicContact CD1-CD1 4.05Å; I278-L280 HydrophobicContact CD1-CD2 4.25Å; I278-L280 HydrophobicContact CD1-CG 4.12Å; I278-L280 HydrophobicContact CG1-CD1 4.33Å; I278-L280 HydrophobicContact CG1-CD2 4.33Å; I278-L280 HydrophobicContact CG1-CG 3.97Å; L280-G282 PolarHBondContact O-N 2.87Å; L280-N283 PolarHBondContact O-N 3.37Å; L280-F285 HydrophobicContact CD2-CD2 4.39Å; L280-F285 HydrophobicContact CD2-CE2 4.24Å; L280-L287 HydrophobicContact CD1-CD2 3.91Å; L280-L295 HydrophobicContact CD1-CD2 3.64Å; L280-G306 CarbonylContact C-O 3.59Å; L280-G306 WeakPolarHBondContact CA-O 3.45Å; L280-G306 PolarHBondContact N-O 3.28Å; L280-F307 HydrophobicContact CB-CD1 4.49Å; L280-F307 HydrophobicContact CD1-CE1 3.98Å
281S94.3Very high94.4Very high0 Ų021.1 Ų21.10%011%0.114CC..THydrogen-bonded Turntrans-56.1137-176.2-57.10000111.4S250 D251 D279 N283 G306 A308 Y355S250-S281 CarbonylContact C-O 3.59Å; S250-S281 VanDerWaalsContact CA-O 3.24Å; S250-S281 WeakPolarHBondContact CA-O 3.41Å; S250-S281 WeakPolarHBondContact CB-O 3.34Å; D251-S281 PolarHBondContact N-O 3.36Å; D279-S281 VanDerWaalsContact OD1-CB 3.22Å; D279-S281 WeakPolarHBondContact OD1-CB 3.19Å; D279-S281 PolarHBondContact OD1-N 2.97Å; D279-S281 VanDerWaalsContact OD1-N 3.09Å; D279-S281 PolarHBondContact OD1-OG 2.77Å; S281-N283 VanDerWaalsContact C-N 3.35Å; S281-G306 PolarHBondContact N-O 3.26Å; S281-A308 CarbonylContact C-O 3.49Å; S281-A308 WeakPolarHBondContact CA-O 2.93Å; S281-A308 VanDerWaalsContact CB-O 3.27Å; S281-A308 WeakPolarHBondContact CB-O 3.4Å; S281-A308 PolarHBondContact OG-N 2.88Å; S281-Y355 PolarHBondContact O-OH 3.24Å
282G91.3Very high94.4Very high2 Ų221 Ų212%0.02111%0.113CC..THydrogen-bonded Turntrans89.1-11.6-171.200000115.1D251 P253 L280 Q284 A308 S309D251-G282 WeakPolarHBondContact O-CA 3.45Å; P253-G282 VanDerWaalsContact CA-O 3.25Å; P253-G282 WeakPolarHBondContact CA-O 3.17Å; P253-G282 WeakPolarHBondContact CB-O 3.43Å; L280-G282 PolarHBondContact O-N 2.87Å; G282-Q284 PolarHBondContact O-N 3.32Å; G282-A308 PolarHBondContact N-O 2.9Å; G282-S309 WeakPolarHBondContact CA-O 3.35Å
283N90.9Very high94.4Very high19 Ų1925.3 Ų25.310%0.10213%0.129CC..  trans48.847.6173.2-165.514.6000114.8L280 S281 F285 G286 L287 W310L280-N283 PolarHBondContact O-N 3.37Å; S281-N283 VanDerWaalsContact C-N 3.35Å; N283-F285 PolarHBondContact O-N 3.01Å; N283-F285 VanDerWaalsContact O-N 3.11Å; N283-G286 PolarHBondContact O-N 2.97Å; N283-L287 PolarHBondContact ND2-O 3.23Å; N283-L287 WeakPolarHBondContact OD1-CB 3.19Å; N283-L287 VanDerWaalsContact OD1-CD1 3.26Å; N283-L287 WeakPolarHBondContact OD1-CD1 3.24Å; N283-L287 PolarHBondContact OD1-N 3.04Å; N283-W310 HydrophobicContact CB-CD2 4.19Å; N283-W310 HydrophobicContact CB-CE3 3.91Å; N283-W310 HydrophobicContact CB-CZ3 4.22Å
284Q89.2Confident94.5Very high7 Ų724.2 Ų24.23%0.03313%0.125CC..THydrogen-bonded Turntrans-66-14-175.166.7170.7-42.200114.8V249 D251 G282V249-Q284 PolarHBondContact O-NE2 2.92Å; D251-Q284 HydrophobicContact CB-CB 4.23Å; D251-Q284 HydrophobicContact CB-CG 4.36Å; G282-Q284 PolarHBondContact O-N 3.32Å
285F91.2Very high94.4Very high2 Ų221.3 Ų21.31%0.00911%0.113CC..THydrogen-bonded Turntrans-98.75179.8-43.9-82.2000113.5I231 L234 L235 V249 Y260 V263 L280 N283 L287I231-F285 HydrophobicContact CG2-CD1 3.5Å; I231-F285 VanDerWaalsContact CG2-CD1 3.5Å; I231-F285 HydrophobicContact CG2-CE1 3.57Å; L234-F285 HydrophobicContact CD2-CE1 3.94Å; L234-F285 HydrophobicContact CD2-CZ 3.82Å; L235-F285 HydrophobicContact CB-CD1 4.25Å; L235-F285 HydrophobicContact CB-CE1 4.11Å; L235-F285 HydrophobicContact CD1-CD1 4.38Å; L235-F285 HydrophobicContact CD1-CE1 4.13Å; L235-F285 HydrophobicContact CD1-CE2 4.41Å; L235-F285 HydrophobicContact CD1-CZ 4.15Å; L235-F285 HydrophobicContact CD2-CD1 4.15Å; L235-F285 HydrophobicContact CD2-CG 4.31Å; V249-F285 HydrophobicContact CB-CE2 4.09Å; V249-F285 HydrophobicContact CB-CZ 4.05Å; V249-F285 HydrophobicContact CG2-CE2 3.6Å; V249-F285 HydrophobicContact CG2-CZ 4.01Å; Y260-F285 HydrophobicContact CD2-CB 4.19Å; Y260-F285 WeakPolarHBondContact CD2-O 3.19Å; Y260-F285 PolarHBondContact N-O 2.88Å; V263-F285 HydrophobicContact CG2-CB 4.17Å; L280-F285 HydrophobicContact CD2-CD2 4.39Å; L280-F285 HydrophobicContact CD2-CE2 4.24Å; N283-F285 PolarHBondContact O-N 3.01Å; N283-F285 VanDerWaalsContact O-N 3.11Å; F285-L287 VanDerWaalsContact C-N 3.3Å; F285-L287 HydrophobicContact CB-CD1 3.69Å; F285-L287 HydrophobicContact CD2-CD1 3.94Å; F285-L287 HydrophobicContact CG-CD1 4.29Å; F285-L287 PolarHBondContact O-N 2.87Å
286G90.1Very high94.4Very high12 Ų1221.5 Ų21.512%0.12411%0.113CC..  trans62.535.2-179.800000113.3R259 N283R259-G286 WeakPolarHBondContact CA-O 3.23Å; R259-G286 VanDerWaalsContact CB-O 3.23Å; R259-G286 WeakPolarHBondContact CB-O 3.37Å; R259-G286 WeakPolarHBondContact CG-O 3.11Å; N283-G286 PolarHBondContact O-N 2.97Å
287L92Very high94.3Very high4 Ų423.7 Ų23.72%0.02112%0.124CC..  trans-61.6144.4173.8-68.194.5000109.6V263 L280 N283 F285 D291 W310V263-L287 HydrophobicContact CG1-CD2 4.33Å; V263-L287 HydrophobicContact CG1-CG 4.08Å; V263-L287 HydrophobicContact CG2-CG 4.47Å; L280-L287 HydrophobicContact CD1-CD2 3.91Å; N283-L287 PolarHBondContact ND2-O 3.23Å; N283-L287 WeakPolarHBondContact OD1-CB 3.19Å; N283-L287 VanDerWaalsContact OD1-CD1 3.26Å; N283-L287 WeakPolarHBondContact OD1-CD1 3.24Å; N283-L287 PolarHBondContact OD1-N 3.04Å; F285-L287 VanDerWaalsContact C-N 3.3Å; F285-L287 HydrophobicContact CB-CD1 3.69Å; F285-L287 HydrophobicContact CD2-CD1 3.94Å; F285-L287 HydrophobicContact CG-CD1 4.29Å; F285-L287 PolarHBondContact O-N 2.87Å; L287-D291 HydrophobicContact CB-CB 4.16Å; L287-D291 HydrophobicContact CD2-CB 4.09Å; L287-D291 HydrophobicContact CG-CB 4.4Å; L287-W310 HydrophobicContact CB-CH2 3.46Å; L287-W310 VanDerWaalsContact CB-CH2 3.46Å; L287-W310 HydrophobicContact CB-CZ2 3.9Å; L287-W310 HydrophobicContact CB-CZ3 4.38Å; L287-W310 HydrophobicContact CD2-CH2 4.45Å; L287-W310 HydrophobicContact CG-CH2 4.43Å; L287-W310 VanDerWaalsContact O-CZ2 3.27Å; L287-W310 WeakPolarHBondContact O-CZ2 3.4Å
288K92.2Very high94.2Very high111 Ų11124.4 Ų24.448%0.48313%0.13SC..  trans-100168.3171.4-60.7-177.6179.6179.40110.4S290 D291 A292K288-S290 PolarHBondContact O-N 3.35Å; K288-D291 PolarHBondContact N-OD2 3.43Å; K288-D291 WeakPolarHBondContact O-CB 3.4Å; K288-D291 PolarHBondContact O-N 3.27Å; K288-A292 PolarHBondContact O-N 3.04Å; K288-A292 VanDerWaalsContact O-N 3.11Å
289L93.5Very high94.2Very high21 Ų2124.7 Ų24.711%0.1113%0.131CC..Hα-helixtrans-53.3-36.1172.9176.963.1000113.3D291 A292 R293 E317 I321 L324L289-D291 VanDerWaalsContact C-N 3.29Å; L289-D291 PolarHBondContact O-N 3.32Å; L289-A292 PolarHBondContact O-N 2.93Å; L289-R293 PolarHBondContact O-N 2.9Å; L289-E317 HydrophobicContact CB-CG 4.37Å; L289-I321 HydrophobicContact CD1-CD1 4.01Å; L289-I321 HydrophobicContact CD1-CG1 4.32Å; L289-L324 HydrophobicContact CD1-CD1 3.76Å; L289-L324 HydrophobicContact CD1-CG 4.41Å
290S94.1Very high94Very high62 Ų6229.9 Ų29.943%0.43417%0.165SC..Hα-helixtrans-62-37.2175.552.30000112.5K288 R293 A294K288-S290 PolarHBondContact O-N 3.35Å; S290-R293 PolarHBondContact O-N 3.27Å; S290-A294 WeakPolarHBondContact O-CB 3.26Å; S290-A294 PolarHBondContact O-N 3.38Å
291D95Very high94.1Very high9 Ų936 Ų365%0.04819%0.188CC..Hα-helixtrans-73.6-41.5-179.2-52.6-38.8000110.4R259 V263 L287 K288 L289 R293 A294 L295R259-D291 WeakPolarHBondContact CD-OD2 3.33Å; R259-D291 IonicContact CZ-OD1 3.34Å; R259-D291 IonicContact CZ-OD2 3.46Å; R259-D291 VanDerWaalsContact NE-CG 3.31Å; R259-D291 IonicContact NE-OD1 3.72Å; R259-D291 PolarHBondContact NE-OD1 3.26Å; R259-D291 VanDerWaalsContact NE-OD1 3.16Å; R259-D291 IonicContact NE-OD2 2.69Å; R259-D291 PolarHBondContact NE-OD2 3.35Å; R259-D291 IonicContact NH2-OD1 3.98Å; R259-D291 PolarHBondContact NH2-OD1 2.66Å; R259-D291 IonicContact NH2-OD2 2.68Å; V263-D291 HydrophobicContact CG1-CB 3.9Å; L287-D291 HydrophobicContact CB-CB 4.16Å; L287-D291 HydrophobicContact CD2-CB 4.09Å; L287-D291 HydrophobicContact CG-CB 4.4Å; K288-D291 PolarHBondContact N-OD2 3.43Å; K288-D291 WeakPolarHBondContact O-CB 3.4Å; K288-D291 PolarHBondContact O-N 3.27Å; L289-D291 VanDerWaalsContact C-N 3.29Å; L289-D291 PolarHBondContact O-N 3.32Å; D291-R293 VanDerWaalsContact C-N 3.29Å; D291-R293 PolarHBondContact O-N 3.3Å; D291-A294 PolarHBondContact O-N 3.24Å; D291-L295 VanDerWaalsContact O-CB 3.29Å; D291-L295 WeakPolarHBondContact O-CB 3.01Å; D291-L295 PolarHBondContact O-N 3.12Å
292A95.3Very high94.2Very high0 Ų036.1 Ų36.10%019%0.188CC..Hα-helixtrans-58.3-43.617200000111.1K288 L289 L296 F307 W310 I321 L324K288-A292 PolarHBondContact O-N 3.04Å; K288-A292 VanDerWaalsContact O-N 3.11Å; L289-A292 PolarHBondContact O-N 2.93Å; A292-L296 VanDerWaalsContact O-CG 3.27Å; A292-L296 WeakPolarHBondContact O-CG 3.23Å; A292-L296 PolarHBondContact O-N 3.39Å; A292-L296 VanDerWaalsContact O-N 3.13Å; A292-F307 HydrophobicContact CB-CE1 4.07Å; A292-F307 HydrophobicContact CB-CZ 4.12Å; A292-W310 HydrophobicContact CB-CH2 4.24Å; A292-I321 HydrophobicContact CB-CD1 3.7Å; A292-L324 HydrophobicContact CB-CD1 4.22Å
293R96.7Very high94.5Very high90 Ų9039.8 Ų39.834%0.3421%0.21SC..Hα-helixtrans-61.9-50.1174.8-175-179.3-57.1103.24.7111.7L289 S290 D291 L295 L296 E297 L324L289-R293 PolarHBondContact O-N 2.9Å; S290-R293 PolarHBondContact O-N 3.27Å; D291-R293 VanDerWaalsContact C-N 3.29Å; D291-R293 PolarHBondContact O-N 3.3Å; R293-L295 VanDerWaalsContact C-N 3.3Å; R293-L295 PolarHBondContact O-N 3.24Å; R293-L296 PolarHBondContact O-N 3.09Å; R293-E297 WeakPolarHBondContact CD-OE1 3.15Å; R293-E297 HydrophobicContact CG-CG 4.43Å; R293-E297 WeakPolarHBondContact CG-OE1 3.29Å; R293-E297 WeakPolarHBondContact O-CG 3.32Å; R293-E297 PolarHBondContact O-N 3.29Å; R293-L324 HydrophobicContact CB-CD1 4.36Å; R293-L324 HydrophobicContact CB-CD2 4.12Å; R293-L324 HydrophobicContact CG-CD2 4.04Å
294A96.9Very high94.9Very high36 Ų3639.4 Ų39.430%0.29821%0.207SC..Hα-helixtrans-57.7-43.4179.500000111.8C267 S290 D291 L296 E297 S298C267-A294 HydrophobicContact CB-CB 4.12Å; S290-A294 WeakPolarHBondContact O-CB 3.26Å; S290-A294 PolarHBondContact O-N 3.38Å; D291-A294 PolarHBondContact O-N 3.24Å; A294-L296 PolarHBondContact O-N 2.94Å; A294-E297 PolarHBondContact O-N 3.27Å; A294-S298 VanDerWaalsContact O-CB 3.3Å; A294-S298 WeakPolarHBondContact O-CB 3.34Å; A294-S298 PolarHBondContact O-N 3.31Å; A294-S298 PolarHBondContact O-OG 3.26Å
295L96.8Very high95.3Very high0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-59.5-45.6176.3-178.376000112.5F266 I278 L280 D291 R293 E297 S298 H299 F307F266-L295 HydrophobicContact CD1-CD1 4.37Å; F266-L295 HydrophobicContact CE1-CD1 4Å; I278-L295 HydrophobicContact CD1-CD1 4.16Å; I278-L295 HydrophobicContact CD1-CD2 3.89Å; I278-L295 HydrophobicContact CG2-CD2 4.35Å; L280-L295 HydrophobicContact CD1-CD2 3.64Å; D291-L295 VanDerWaalsContact O-CB 3.29Å; D291-L295 WeakPolarHBondContact O-CB 3.01Å; D291-L295 PolarHBondContact O-N 3.12Å; R293-L295 VanDerWaalsContact C-N 3.3Å; R293-L295 PolarHBondContact O-N 3.24Å; L295-E297 VanDerWaalsContact C-N 3.34Å; L295-S298 PolarHBondContact O-OG 3.49Å; L295-H299 WeakPolarHBondContact O-CB 3.22Å; L295-H299 PolarHBondContact O-N 2.91Å; L295-H299 PolarHBondContact O-ND1 3.41Å; L295-F307 HydrophobicContact CD2-CZ 4.45Å
296L97.1Very high95.6Very high4 Ų439 Ų392%0.02121%0.206CC..Hα-helixtrans-67.9-35178.9-64.2178.2000112A292 R293 A294 L302 A305 F307 L324 Y328 I331 M333A292-L296 VanDerWaalsContact O-CG 3.27Å; A292-L296 WeakPolarHBondContact O-CG 3.23Å; A292-L296 PolarHBondContact O-N 3.39Å; A292-L296 VanDerWaalsContact O-N 3.13Å; R293-L296 PolarHBondContact O-N 3.09Å; A294-L296 PolarHBondContact O-N 2.94Å; L296-L302 HydrophobicContact CD2-CD1 4.03Å; L296-A305 HydrophobicContact CD2-CB 3.93Å; L296-F307 HydrophobicContact CD1-CE2 4.47Å; L296-F307 HydrophobicContact CD2-CE2 4.39Å; L296-F307 HydrophobicContact CD2-CZ 4.39Å; L296-L324 HydrophobicContact CD1-CB 4.13Å; L296-L324 HydrophobicContact CD1-CD1 4.15Å; L296-Y328 HydrophobicContact CB-CD2 4.33Å; L296-Y328 HydrophobicContact CB-CE1 4.38Å; L296-Y328 HydrophobicContact CB-CE2 4.11Å; L296-Y328 HydrophobicContact CD1-CD2 3.84Å; L296-Y328 HydrophobicContact CD1-CE2 4.18Å; L296-Y328 HydrophobicContact CD1-CG 4.38Å; L296-I331 HydrophobicContact CD2-CD1 3.86Å; L296-M333 HydrophobicContact CD1-CE 4.25Å; L296-M333 HydrophobicContact CD1-SD 4.46Å
297E96.4Very high95.8Very high109 Ų10938.5 Ų38.551%0.50920%0.2SC..Hα-helixtrans-71.8-41.1176.6-73.4171.8-174.900112.1R293 A294 L295 Y328R293-E297 WeakPolarHBondContact CD-OE1 3.15Å; R293-E297 HydrophobicContact CG-CG 4.43Å; R293-E297 WeakPolarHBondContact CG-OE1 3.29Å; R293-E297 WeakPolarHBondContact O-CG 3.32Å; R293-E297 PolarHBondContact O-N 3.29Å; A294-E297 PolarHBondContact O-N 3.27Å; L295-E297 VanDerWaalsContact C-N 3.34Å; E297-Y328 WeakPolarHBondContact CG-OH 3.43Å
298S95.6Very high95.9Very high22 Ų2238.3 Ų38.315%0.15420%0.199CC..Hα-helixtrans-79.2-19.3-175.561.10000114C267 A294 L295 P300C267-S298 VanDerWaalsContact O-CB 3.32Å; C267-S298 WeakPolarHBondContact O-CB 3.11Å; C267-S298 PolarHBondContact O-OG 3.11Å; A294-S298 VanDerWaalsContact O-CB 3.3Å; A294-S298 WeakPolarHBondContact O-CB 3.34Å; A294-S298 PolarHBondContact O-N 3.31Å; A294-S298 PolarHBondContact O-OG 3.26Å; L295-S298 PolarHBondContact O-OG 3.49Å; S298-P300 VanDerWaalsContact O-CD 3.22Å; S298-P300 WeakPolarHBondContact O-CD 3.44Å
299H96.7Very high95.8Very high5 Ų533 Ų332%0.02318%0.176CC..  trans-118.176.5-177.1-60.376000112.2A271 L272 L295 R301 L302A271-H299 PolarHBondContact O-NE2 2.82Å; L272-H299 PolarHBondContact O-CD2 3.41Å; L295-H299 WeakPolarHBondContact O-CB 3.22Å; L295-H299 PolarHBondContact O-N 2.91Å; L295-H299 PolarHBondContact O-ND1 3.41Å; H299-R301 PolarHBondContact O-N 2.93Å; H299-L302 HydrophobicContact CB-CD1 3.67Å; H299-L302 HydrophobicContact CB-CG 3.73Å; H299-L302 WeakPolarHBondContact O-CB 3.42Å; H299-L302 WeakPolarHBondContact O-CG 3.49Å; H299-L302 PolarHBondContact O-N 3.5Å; H299-L302 VanDerWaalsContact O-N 3.07Å
300P93.8Very high95.5Very high110 Ų11032.1 Ų32.171%0.71417%0.172SC*.THydrogen-bonded Turntrans-68.7-9.4-172.828.1-37.2000114.8S298 L302S298-P300 VanDerWaalsContact O-CD 3.22Å; S298-P300 WeakPolarHBondContact O-CD 3.44Å; P300-L302 VanDerWaalsContact C-N 3.35Å
301R96.5Very high94.3Very high132 Ų13233.2 Ų33.250%0.49817%0.172SC..THydrogen-bonded Turntrans-86.4-6.6175.7-66.7179.4-176.3-118.50.1112.9L275 E276 H299 T303L275-R301 CarbonylContact O-C 3.37Å; L275-R301 WeakPolarHBondContact O-CB 3.48Å; E276-R301 WeakPolarHBondContact CA-O 3.34Å; E276-R301 HydrophobicContact CG-CB 4.37Å; H299-R301 PolarHBondContact O-N 2.93Å; R301-T303 PolarHBondContact O-N 2.95Å
302L97.9Very high92.6Very high2 Ų233.8 Ų33.81%0.0118%0.176CC..  trans-59.5131.6179.2-76.9176.7000111L275 I278 L296 H299 P300 I331L275-L302 HydrophobicContact CB-CD2 4.39Å; L275-L302 HydrophobicContact CD2-CD2 4.1Å; L275-L302 HydrophobicContact CG-CD2 3.88Å; L275-L302 PolarHBondContact O-N 3.45Å; I278-L302 HydrophobicContact CB-CD2 4.22Å; I278-L302 HydrophobicContact CG2-CD1 4.2Å; I278-L302 HydrophobicContact CG2-CD2 3.75Å; L296-L302 HydrophobicContact CD2-CD1 4.03Å; H299-L302 HydrophobicContact CB-CD1 3.67Å; H299-L302 HydrophobicContact CB-CG 3.73Å; H299-L302 WeakPolarHBondContact O-CB 3.42Å; H299-L302 WeakPolarHBondContact O-CG 3.49Å; H299-L302 PolarHBondContact O-N 3.5Å; H299-L302 VanDerWaalsContact O-N 3.07Å; P300-L302 VanDerWaalsContact C-N 3.35Å; L302-I331 HydrophobicContact CB-CD1 3.97Å; L302-I331 WeakPolarHBondContact O-CG1 3.47Å
303T97.8Very high90.8Very high78 Ų7839.5 Ų39.548%0.47922%0.216SC..SBendtrans-117.8-11.4173.361.20000111.3E276 R301 I331 T332E276-T303 PolarHBondContact O-N 3.12Å; E276-T303 PolarHBondContact O-OG1 2.68Å; R301-T303 PolarHBondContact O-N 2.95Å; T303-I331 WeakPolarHBondContact O-CA 3.38Å; T303-T332 PolarHBondContact O-N 3.24Å
304F98.3Very high89.8Confident11 Ų1140.1 Ų40.15%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-150.1139.1178.3174.8-81000111.4E276 H277 I278 D279 T332 L334E276-F304 PolarHBondContact O-N 3.03Å; H277-F304 WeakPolarHBondContact CD2-CB 3.35Å; H277-F304 AromaticContact CD2-CD1 3.3Å; H277-F304 WeakPolarHBondContact CD2-CD1 3.24Å; H277-F304 AromaticContact CD2-CG 3.35Å; H277-F304 WeakPolarHBondContact CD2-CG 3.22Å; H277-F304 AromaticContact CE1-CD1 3.33Å; H277-F304 WeakPolarHBondContact CE1-CD1 3.39Å; H277-F304 AromaticContact CE1-CE1 3.43Å; H277-F304 VanDerWaalsContact CE1-CE1 3.43Å; H277-F304 WeakPolarHBondContact CE1-CE1 3.26Å; H277-F304 AromaticContact CG-CD1 3.96Å; H277-F304 AromaticContact NE2-CD1 2.82Å; H277-F304 WeakPolarHBondContact NE2-CD1 3.29Å; H277-F304 AromaticContact NE2-CD2 3.84Å; H277-F304 AromaticContact NE2-CE1 3.16Å; H277-F304 WeakPolarHBondContact NE2-CE1 3.28Å; H277-F304 AromaticContact NE2-CG 3.19Å; H277-F304 WeakPolarHBondContact NE2-CG 3.5Å; H277-F304 AromaticContact NE2-CZ 3.81Å; I278-F304 PolarHBondContact N-O 3.26Å; I278-F304 VanDerWaalsContact N-O 3.12Å; I278-F304 VanDerWaalsContact O-CD1 3.26Å; I278-F304 WeakPolarHBondContact O-CD1 3.23Å; I278-F304 VanDerWaalsContact O-CE1 3.32Å; I278-F304 WeakPolarHBondContact O-CE1 3.34Å; D279-F304 HydrophobicContact CB-CE1 4.26Å; F304-T332 VanDerWaalsContact CA-O 3.3Å; F304-T332 WeakPolarHBondContact CA-O 3.16Å; F304-T332 HydrophobicContact CD2-CG2 4.12Å; F304-T332 WeakPolarHBondContact CD2-O 3.28Å; F304-L334 HydrophobicContact CE2-CD1 4.46Å; F304-L334 HydrophobicContact CE2-CD2 3.87Å; F304-L334 HydrophobicContact CE2-CG 3.91Å; F304-L334 HydrophobicContact CZ-CD1 3.79Å; F304-L334 HydrophobicContact CZ-CD2 4.03Å; F304-L334 HydrophobicContact CZ-CG 3.57Å
305A97.8Very high89.2Confident0 Ų045.2 Ų45.20%024%0.241CC..EExtended strand (participates in β ladder)trans-139.2121.9171.800000111.9I278 L296 F307 I331 T332 M333 L334I278-A305 HydrophobicContact CG2-CB 3.98Å; I278-A305 CarbonylContact O-C 3.57Å; I278-A305 VanDerWaalsContact O-CA 3.27Å; I278-A305 WeakPolarHBondContact O-CA 3.4Å; L296-A305 HydrophobicContact CD2-CB 3.93Å; A305-F307 HydrophobicContact CB-CD2 4.14Å; A305-F307 HydrophobicContact CB-CE2 3.39Å; A305-F307 HydrophobicContact CB-CZ 3.75Å; A305-I331 HydrophobicContact CB-CG2 3.98Å; A305-T332 PolarHBondContact N-O 3.42Å; A305-T332 VanDerWaalsContact N-O 3.13Å; A305-M333 HydrophobicContact CB-CG 4.29Å; A305-M333 VanDerWaalsContact O-CA 3.24Å; A305-M333 WeakPolarHBondContact O-CA 3.5Å; A305-L334 PolarHBondContact O-N 3.16Å
306G96.4Very high88.8Confident1 Ų150.4 Ų50.41%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-92.9110.9179.600000112.4I278 L280 S281I278-G306 PolarHBondContact O-N 3.4Å; L280-G306 CarbonylContact C-O 3.59Å; L280-G306 WeakPolarHBondContact CA-O 3.45Å; L280-G306 PolarHBondContact N-O 3.28Å; S281-G306 PolarHBondContact N-O 3.26Å
307F95.3Very high88.5Confident1 Ų151.4 Ų51.40%0.00427%0.269CS..  trans-123.730.3176.7-54.6-62.9000112.1L280 A292 L295 L296 A305 W310 I321 M333 L334L280-F307 HydrophobicContact CB-CD1 4.49Å; L280-F307 HydrophobicContact CD1-CE1 3.98Å; A292-F307 HydrophobicContact CB-CE1 4.07Å; A292-F307 HydrophobicContact CB-CZ 4.12Å; L295-F307 HydrophobicContact CD2-CZ 4.45Å; L296-F307 HydrophobicContact CD1-CE2 4.47Å; L296-F307 HydrophobicContact CD2-CE2 4.39Å; L296-F307 HydrophobicContact CD2-CZ 4.39Å; A305-F307 HydrophobicContact CB-CD2 4.14Å; A305-F307 HydrophobicContact CB-CE2 3.39Å; A305-F307 HydrophobicContact CB-CZ 3.75Å; F307-W310 HydrophobicContact CB-CE3 4.01Å; F307-W310 HydrophobicContact CB-CZ3 4.41Å; F307-W310 AromaticContact CD1-CE3 3.93Å; F307-W310 HydrophobicContact CD1-CE3 3.93Å; F307-W310 HydrophobicContact CD1-CH2 4.16Å; F307-W310 AromaticContact CD1-CZ3 3.45Å; F307-W310 HydrophobicContact CD1-CZ3 3.45Å; F307-W310 VanDerWaalsContact CD1-CZ3 3.45Å; F307-W310 HydrophobicContact CE1-CH2 4.46Å; F307-W310 HydrophobicContact CE1-CZ3 4.11Å; F307-W310 HydrophobicContact CG-CE3 4.43Å; F307-W310 HydrophobicContact CG-CZ3 4.34Å; F307-I321 HydrophobicContact CB-CD1 4.44Å; F307-I321 HydrophobicContact CB-CG2 3.91Å; F307-I321 HydrophobicContact CD2-CD1 4.36Å; F307-I321 HydrophobicContact CD2-CG2 4.12Å; F307-I321 HydrophobicContact CG-CD1 4.24Å; F307-I321 HydrophobicContact CG-CG2 4.33Å; F307-M333 HydrophobicContact CD2-CE 3.61Å; F307-M333 HydrophobicContact CE2-CE 3.63Å; F307-L334 CarbonylContact C-O 3.59Å; F307-L334 WeakPolarHBondContact CA-O 3.24Å; F307-L334 WeakPolarHBondContact CB-O 3.32Å; F307-L334 PolarHBondContact N-O 3.22Å
308A93.2Very high88.2Confident0 Ų048 Ų480%026%0.255CS..THydrogen-bonded Turntrans-75.5153.6178.500000111.5S281 G282 W310 L334 T345S281-A308 CarbonylContact C-O 3.49Å; S281-A308 WeakPolarHBondContact CA-O 2.93Å; S281-A308 VanDerWaalsContact CB-O 3.27Å; S281-A308 WeakPolarHBondContact CB-O 3.4Å; S281-A308 PolarHBondContact OG-N 2.88Å; G282-A308 PolarHBondContact N-O 2.9Å; A308-W310 PolarHBondContact O-N 2.74Å; A308-L334 HydrophobicContact CB-CB 4.01Å; A308-T345 HydrophobicContact CB-CG2 3.89Å
309S90Very high88.1Confident0 Ų049.1 Ų49.10%026%0.257CS..THydrogen-bonded Turntrans51.242.9-174.8179.70000112.1P253 G282 L311 D336 F354P253-S309 WeakPolarHBondContact CG-OG 3.45Å; G282-S309 WeakPolarHBondContact CA-O 3.35Å; S309-L311 PolarHBondContact O-N 3.43Å; S309-D336 WeakPolarHBondContact CA-OD1 3.12Å; S309-D336 VanDerWaalsContact CA-OD2 3.27Å; S309-D336 WeakPolarHBondContact CA-OD2 3.42Å; S309-D336 PolarHBondContact N-OD1 3.03Å; S309-D336 PolarHBondContact N-OD2 2.99Å; S309-F354 VanDerWaalsContact OG-CE1 3.28Å; S309-F354 WeakPolarHBondContact OG-CE1 3.38Å
310W87.7Confident88Confident3 Ų349.2 Ų49.21%0.01126%0.26CS..  trans-71.282.4173.2-163.7-90.8000107.7N283 L287 A292 F307 A308 S312 E317 L318 D336N283-W310 HydrophobicContact CB-CD2 4.19Å; N283-W310 HydrophobicContact CB-CE3 3.91Å; N283-W310 HydrophobicContact CB-CZ3 4.22Å; L287-W310 HydrophobicContact CB-CH2 3.46Å; L287-W310 VanDerWaalsContact CB-CH2 3.46Å; L287-W310 HydrophobicContact CB-CZ2 3.9Å; L287-W310 HydrophobicContact CB-CZ3 4.38Å; L287-W310 HydrophobicContact CD2-CH2 4.45Å; L287-W310 HydrophobicContact CG-CH2 4.43Å; L287-W310 VanDerWaalsContact O-CZ2 3.27Å; L287-W310 WeakPolarHBondContact O-CZ2 3.4Å; A292-W310 HydrophobicContact CB-CH2 4.24Å; F307-W310 HydrophobicContact CB-CE3 4.01Å; F307-W310 HydrophobicContact CB-CZ3 4.41Å; F307-W310 AromaticContact CD1-CE3 3.93Å; F307-W310 HydrophobicContact CD1-CE3 3.93Å; F307-W310 HydrophobicContact CD1-CH2 4.16Å; F307-W310 AromaticContact CD1-CZ3 3.45Å; F307-W310 HydrophobicContact CD1-CZ3 3.45Å; F307-W310 VanDerWaalsContact CD1-CZ3 3.45Å; F307-W310 HydrophobicContact CE1-CH2 4.46Å; F307-W310 HydrophobicContact CE1-CZ3 4.11Å; F307-W310 HydrophobicContact CG-CE3 4.43Å; F307-W310 HydrophobicContact CG-CZ3 4.34Å; A308-W310 PolarHBondContact O-N 2.74Å; W310-S312 PolarHBondContact O-N 2.83Å; W310-E317 PolarHBondContact NE1-OE2 3.36Å; W310-L318 HydrophobicContact CB-CD2 4.21Å; W310-D336 PolarHBondContact N-OD2 3.03Å
311L68.7Low88.1Confident85 Ų8544.2 Ų44.245%0.44523%0.227SC..  trans-64.279.5177.4-81.2-164.1000109.7P253 S309P253-L311 HydrophobicContact CB-CB 4.07Å; P253-L311 HydrophobicContact CB-CD1 3.28Å; P253-L311 HydrophobicContact CB-CG 3.39Å; P253-L311 HydrophobicContact CG-CD1 3.52Å; P253-L311 HydrophobicContact CG-CG 3.68Å; S309-L311 PolarHBondContact O-N 3.43Å
312S60.4Low88Confident20 Ų2041.6 Ų41.614%0.1422%0.218CC..  trans-106.9127.2158.562.60000105.4W310 H314 E317W310-S312 PolarHBondContact O-N 2.83Å; S312-H314 PolarHBondContact O-N 2.74Å; S312-H314 PolarHBondContact OG-O 2.66Å; S312-E317 WeakPolarHBondContact OG-CB 3.35Å
313S57.7Low88Confident120 Ų12049.2 Ų49.284%0.83925%0.246SC*.SBendtrans-65.111.4167.733.50000112.6
314H74.8Confident87.9Confident103 Ų10345.6 Ų45.648%0.47722%0.224SC..  trans-126.9108.2-166.6-58.554.6000109.8S312 H316 E317S312-H314 PolarHBondContact O-N 2.74Å; S312-H314 PolarHBondContact OG-O 2.66Å; H314-H316 WeakPolarHBondContact CB-ND1 3.34Å; H314-H316 PolarHBondContact O-N 3.36Å; H314-E317 PolarHBondContact O-N 3.27Å
315E83.8Confident87.9Confident143 Ų14345.8 Ų45.867%0.66823%0.227SC*.Hα-helixtrans-52.2-28.6179.9-63.6-170.2145.800113.9E317 L318 E319E315-E317 VanDerWaalsContact C-N 3.28Å; E315-E317 PolarHBondContact O-N 2.97Å; E315-L318 PolarHBondContact O-N 2.79Å; E315-E319 WeakPolarHBondContact O-CB 3.46Å; E315-E319 PolarHBondContact O-N 2.92Å
316H89.6Confident87.8Confident110 Ų11051.2 Ų51.251%0.50925%0.252SS..Hα-helixtrans-62.6-30.7179.390.2-81.4000113.5H314 G320H314-H316 WeakPolarHBondContact CB-ND1 3.34Å; H314-H316 PolarHBondContact O-N 3.36Å; H316-G320 PolarHBondContact O-N 3.18Å
317E90.4Very high87.8Confident25 Ų2556.3 Ų56.312%0.11728%0.275CS..Hα-helixtrans-75.9-43.3178.2-64.2-163-159.700110.9L289 W310 S312 H314 E315 E319 G320 I321L289-E317 HydrophobicContact CB-CG 4.37Å; W310-E317 PolarHBondContact NE1-OE2 3.36Å; S312-E317 WeakPolarHBondContact OG-CB 3.35Å; H314-E317 PolarHBondContact O-N 3.27Å; E315-E317 VanDerWaalsContact C-N 3.28Å; E315-E317 PolarHBondContact O-N 2.97Å; E317-E319 VanDerWaalsContact C-N 3.3Å; E317-E319 PolarHBondContact O-N 2.93Å; E317-G320 CarbonylContact O-C 3.59Å; E317-G320 WeakPolarHBondContact O-CA 3.4Å; E317-G320 PolarHBondContact O-N 3.48Å; E317-I321 WeakPolarHBondContact O-CG1 3.47Å; E317-I321 PolarHBondContact O-N 2.9Å
318L90.5Very high87.9Confident38 Ų3857.7 Ų57.720%0.19928%0.281CS..Hα-helixtrans-59.5-44.3175.9-57.9-176.4000111W310 E315 G320 I321 Y322 D336 R337W310-L318 HydrophobicContact CB-CD2 4.21Å; E315-L318 PolarHBondContact O-N 2.79Å; L318-G320 VanDerWaalsContact C-N 3.34Å; L318-I321 PolarHBondContact O-N 3.36Å; L318-Y322 PolarHBondContact O-N 3.07Å; L318-Y322 VanDerWaalsContact O-N 3.08Å; L318-D336 HydrophobicContact CD2-CB 4.26Å; L318-R337 HydrophobicContact CB-CB 4.42Å
319E92.7Very high88Confident45 Ų4562.8 Ų62.821%0.2131%0.314CS..Hα-helixtrans-62.4-41.1172.6-179.256.2-154.100111.9E315 E317 Y322 R323 R337E315-E319 WeakPolarHBondContact O-CB 3.46Å; E315-E319 PolarHBondContact O-N 2.92Å; E317-E319 VanDerWaalsContact C-N 3.3Å; E317-E319 PolarHBondContact O-N 2.93Å; E319-Y322 WeakPolarHBondContact O-CB 3.41Å; E319-Y322 PolarHBondContact O-N 2.93Å; E319-R323 WeakPolarHBondContact O-CG 3.38Å; E319-R323 PolarHBondContact O-N 3.1Å; E319-R323 IonicContact OE1-CZ 3.16Å; E319-R323 IonicContact OE1-NE 2.72Å; E319-R323 PolarHBondContact OE1-NE 3.34Å; E319-R323 IonicContact OE1-NH2 3.78Å; E319-R323 PolarHBondContact OE1-NH2 3.45Å; E319-R337 WeakPolarHBondContact OE2-CD 3.23Å; E319-R337 IonicContact OE2-NH1 3.15Å; E319-R337 PolarHBondContact OE2-NH1 3.16Å
320G94.8Very high88.2Confident7 Ų768.4 Ų68.47%0.07234%0.34CS..Hα-helixtrans-61.4-46.1176.500000113.4H316 E317 L318 Y322 R323 L324H316-G320 PolarHBondContact O-N 3.18Å; E317-G320 CarbonylContact O-C 3.59Å; E317-G320 WeakPolarHBondContact O-CA 3.4Å; E317-G320 PolarHBondContact O-N 3.48Å; L318-G320 VanDerWaalsContact C-N 3.34Å; G320-Y322 VanDerWaalsContact C-N 3.31Å; G320-Y322 PolarHBondContact O-N 3.37Å; G320-R323 PolarHBondContact O-N 2.65Å; G320-L324 WeakPolarHBondContact O-CG 3.39Å; G320-L324 PolarHBondContact O-N 2.86Å
321I95.2Very high88.7Confident5 Ų568.7 Ų68.73%0.02634%0.341CS..Hα-helixtrans-61.9-41.4175.4-64.9-61.4000110.5L289 A292 F307 E317 L318 R323 L324 S325 M333 L341L289-I321 HydrophobicContact CD1-CD1 4.01Å; L289-I321 HydrophobicContact CD1-CG1 4.32Å; A292-I321 HydrophobicContact CB-CD1 3.7Å; F307-I321 HydrophobicContact CB-CD1 4.44Å; F307-I321 HydrophobicContact CB-CG2 3.91Å; F307-I321 HydrophobicContact CD2-CD1 4.36Å; F307-I321 HydrophobicContact CD2-CG2 4.12Å; F307-I321 HydrophobicContact CG-CD1 4.24Å; F307-I321 HydrophobicContact CG-CG2 4.33Å; E317-I321 WeakPolarHBondContact O-CG1 3.47Å; E317-I321 PolarHBondContact O-N 2.9Å; L318-I321 PolarHBondContact O-N 3.36Å; I321-R323 PolarHBondContact O-N 2.86Å; I321-L324 HydrophobicContact CD1-CD1 4.2Å; I321-L324 PolarHBondContact O-N 3.42Å; I321-S325 PolarHBondContact O-N 3.35Å; I321-S325 VanDerWaalsContact O-N 3.14Å; I321-M333 HydrophobicContact CG2-CE 4.09Å; I321-L341 HydrophobicContact CG2-CD2 4.18Å
322Y95.2Very high90.1Very high77 Ų7768 Ų6830%0.30234%0.341SS..Hα-helixtrans-59.7-44.5174.1175.2-114.7000111.8L318 E319 G320 S325 H326 R337 G338L318-Y322 PolarHBondContact O-N 3.07Å; L318-Y322 VanDerWaalsContact O-N 3.08Å; E319-Y322 WeakPolarHBondContact O-CB 3.41Å; E319-Y322 PolarHBondContact O-N 2.93Å; G320-Y322 VanDerWaalsContact C-N 3.31Å; G320-Y322 PolarHBondContact O-N 3.37Å; Y322-S325 WeakPolarHBondContact O-CB 3.34Å; Y322-S325 PolarHBondContact O-N 2.94Å; Y322-S325 PolarHBondContact O-OG 3.5Å; Y322-H326 AromaticContact CD2-CE1 3.8Å; Y322-H326 AromaticContact CE1-CE1 3.8Å; Y322-H326 AromaticContact CE2-CE1 3.26Å; Y322-H326 WeakPolarHBondContact CE2-CE1 3.38Å; Y322-H326 AromaticContact CZ-CE1 3.23Å; Y322-H326 AromaticContact CZ-NE2 3.85Å; Y322-H326 PolarHBondContact O-ND1 3.48Å; Y322-H326 PolarHBondContact OH-CE1 3.15Å; Y322-R337 HydrophobicContact CG-CG 4.47Å; Y322-G338 VanDerWaalsContact CE2-CA 3.41Å
323R96.9Very high91.8Very high161 Ų16167.2 Ų67.261%0.60834%0.335SS*.Hα-helixtrans-64.4-40.2175.3-70175.3-171.8-168.61.6113E319 G320 I321 S325 H326 Q327E319-R323 WeakPolarHBondContact O-CG 3.38Å; E319-R323 PolarHBondContact O-N 3.1Å; E319-R323 IonicContact OE1-CZ 3.16Å; E319-R323 IonicContact OE1-NE 2.72Å; E319-R323 PolarHBondContact OE1-NE 3.34Å; E319-R323 IonicContact OE1-NH2 3.78Å; E319-R323 PolarHBondContact OE1-NH2 3.45Å; G320-R323 PolarHBondContact O-N 2.65Å; I321-R323 PolarHBondContact O-N 2.86Å; R323-S325 PolarHBondContact O-N 3.47Å; R323-H326 WeakPolarHBondContact O-CB 3.48Å; R323-H326 PolarHBondContact O-N 3.45Å; R323-Q327 PolarHBondContact O-N 2.94Å; R323-Q327 VanDerWaalsContact O-N 3.13Å
324L97.2Very high93.7Very high2 Ų261.5 Ų61.51%0.0130%0.295CS..Hα-helixtrans-57.3-37.1174.5-72.9175.4000111.3L289 A292 R293 L296 G320 I321 H326 Q327 Y328 M333L289-L324 HydrophobicContact CD1-CD1 3.76Å; L289-L324 HydrophobicContact CD1-CG 4.41Å; A292-L324 HydrophobicContact CB-CD1 4.22Å; R293-L324 HydrophobicContact CB-CD1 4.36Å; R293-L324 HydrophobicContact CB-CD2 4.12Å; R293-L324 HydrophobicContact CG-CD2 4.04Å; L296-L324 HydrophobicContact CD1-CB 4.13Å; L296-L324 HydrophobicContact CD1-CD1 4.15Å; G320-L324 WeakPolarHBondContact O-CG 3.39Å; G320-L324 PolarHBondContact O-N 2.86Å; I321-L324 HydrophobicContact CD1-CD1 4.2Å; I321-L324 PolarHBondContact O-N 3.42Å; L324-H326 PolarHBondContact O-N 3.12Å; L324-Q327 WeakPolarHBondContact O-CB 3.35Å; L324-Q327 PolarHBondContact O-N 3.13Å; L324-Q327 VanDerWaalsContact O-N 3.09Å; L324-Y328 HydrophobicContact CD2-CD2 4.43Å; L324-Y328 HydrophobicContact CD2-CE2 4.07Å; L324-Y328 WeakPolarHBondContact O-CD2 3.38Å; L324-Y328 PolarHBondContact O-N 3.09Å; L324-M333 HydrophobicContact CB-CE 3.95Å
325S96.7Very high94.6Very high16 Ų1656.6 Ų56.611%0.11227%0.272CS..Hα-helixtrans-64.6-25.9176.677.20000114.9I321 Y322 R323 Y328 M333 L341I321-S325 PolarHBondContact O-N 3.35Å; I321-S325 VanDerWaalsContact O-N 3.14Å; Y322-S325 WeakPolarHBondContact O-CB 3.34Å; Y322-S325 PolarHBondContact O-N 2.94Å; Y322-S325 PolarHBondContact O-OG 3.5Å; R323-S325 PolarHBondContact O-N 3.47Å; S325-Y328 CarbonylContact O-C 3.53Å; S325-M333 WeakPolarHBondContact CA-SD 3.49Å; S325-L341 WeakPolarHBondContact OG-CD1 3.41Å
326H96.6Very high95Very high113 Ų11350.2 Ų50.252%0.52324%0.243SC..Hα-helixtrans-79.7-33.1173.4-65.373.5000111.5Y322 R323 L324Y322-H326 AromaticContact CD2-CE1 3.8Å; Y322-H326 AromaticContact CE1-CE1 3.8Å; Y322-H326 AromaticContact CE2-CE1 3.26Å; Y322-H326 WeakPolarHBondContact CE2-CE1 3.38Å; Y322-H326 AromaticContact CZ-CE1 3.23Å; Y322-H326 AromaticContact CZ-NE2 3.85Å; Y322-H326 PolarHBondContact O-ND1 3.48Å; Y322-H326 PolarHBondContact OH-CE1 3.15Å; R323-H326 WeakPolarHBondContact O-CB 3.48Å; R323-H326 PolarHBondContact O-N 3.45Å; L324-H326 PolarHBondContact O-N 3.12Å
327Q96.8Very high95.1Very high109 Ų10949.3 Ų49.351%0.50924%0.235SC..Hα-helixtrans-71.3-32.6176-172.4178.5-1.600112R323 L324 P329R323-Q327 PolarHBondContact O-N 2.94Å; R323-Q327 VanDerWaalsContact O-N 3.13Å; L324-Q327 WeakPolarHBondContact O-CB 3.35Å; L324-Q327 PolarHBondContact O-N 3.13Å; L324-Q327 VanDerWaalsContact O-N 3.09Å; Q327-P329 VanDerWaalsContact O-CD 3.25Å; Q327-P329 WeakPolarHBondContact O-CD 3.24Å
328Y96.8Very high95.2Very high30 Ų3048.7 Ų48.712%0.11824%0.235CC..  trans-118.963.2-177.9-62.4-85.1000112.3L296 E297 L324 S325 H330 I331L296-Y328 HydrophobicContact CB-CD2 4.33Å; L296-Y328 HydrophobicContact CB-CE1 4.38Å; L296-Y328 HydrophobicContact CB-CE2 4.11Å; L296-Y328 HydrophobicContact CD1-CD2 3.84Å; L296-Y328 HydrophobicContact CD1-CE2 4.18Å; L296-Y328 HydrophobicContact CD1-CG 4.38Å; E297-Y328 WeakPolarHBondContact CG-OH 3.43Å; L324-Y328 HydrophobicContact CD2-CD2 4.43Å; L324-Y328 HydrophobicContact CD2-CE2 4.07Å; L324-Y328 WeakPolarHBondContact O-CD2 3.38Å; L324-Y328 PolarHBondContact O-N 3.09Å; S325-Y328 CarbonylContact O-C 3.53Å; Y328-H330 AromaticContact CD1-CE1 3.85Å; Y328-H330 PolarHBondContact O-N 2.92Å; Y328-H330 VanDerWaalsContact O-N 3.16Å; Y328-I331 HydrophobicContact CD1-CD1 4.1Å; Y328-I331 HydrophobicContact CG-CD1 4.23Å; Y328-I331 WeakPolarHBondContact O-CB 3.45Å; Y328-I331 PolarHBondContact O-N 2.68Å
329P95.4Very high95.2Very high106 Ų10649.9 Ų49.969%0.68824%0.242SC*.THydrogen-bonded Turntrans-68.2-17.9-173.228.6-36.6000114.1Q327Q327-P329 VanDerWaalsContact O-CD 3.25Å; Q327-P329 WeakPolarHBondContact O-CD 3.24Å
330H95.1Very high95.3Very high119 Ų11953.1 Ų53.155%0.55126%0.257SS*.THydrogen-bonded Turntrans-75.9-12.9173.558.9-82.2000112.6Y328Y328-H330 AromaticContact CD1-CE1 3.85Å; Y328-H330 PolarHBondContact O-N 2.92Å; Y328-H330 VanDerWaalsContact O-N 3.16Å
331I97.3Very high95.4Very high8 Ų853 Ų534%0.04126%0.255CS..SBendtrans-99.5115.8178.5-53.3-173.5000108.7L296 L302 T303 A305 Y328 M333L296-I331 HydrophobicContact CD2-CD1 3.86Å; L302-I331 HydrophobicContact CB-CD1 3.97Å; L302-I331 WeakPolarHBondContact O-CG1 3.47Å; T303-I331 WeakPolarHBondContact O-CA 3.38Å; A305-I331 HydrophobicContact CB-CG2 3.98Å; Y328-I331 HydrophobicContact CD1-CD1 4.1Å; Y328-I331 HydrophobicContact CG-CD1 4.23Å; Y328-I331 WeakPolarHBondContact O-CB 3.45Å; Y328-I331 PolarHBondContact O-N 2.68Å; I331-M333 HydrophobicContact CB-CG 4.45Å; I331-M333 HydrophobicContact CG2-CG 3.94Å; I331-M333 PolarHBondContact O-N 3.15Å; I331-M333 VanDerWaalsContact O-N 3.12Å
332T97.5Very high95.4Very high72 Ų7252.9 Ų52.944%0.44225%0.254SS..EExtended strand (participates in β ladder)trans-71.7109.2172.1-61.70000109.3T303 F304 A305T303-T332 PolarHBondContact O-N 3.24Å; F304-T332 VanDerWaalsContact CA-O 3.3Å; F304-T332 WeakPolarHBondContact CA-O 3.16Å; F304-T332 HydrophobicContact CD2-CG2 4.12Å; F304-T332 WeakPolarHBondContact CD2-O 3.28Å; A305-T332 PolarHBondContact N-O 3.42Å; A305-T332 VanDerWaalsContact N-O 3.13Å
333M97.7Very high95.4Very high2 Ų250.5 Ų50.51%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-101.2143.7-177.5-69.4169.869.300112.8L296 A305 F307 I321 L324 S325 I331 L341 N344L296-M333 HydrophobicContact CD1-CE 4.25Å; L296-M333 HydrophobicContact CD1-SD 4.46Å; A305-M333 HydrophobicContact CB-CG 4.29Å; A305-M333 VanDerWaalsContact O-CA 3.24Å; A305-M333 WeakPolarHBondContact O-CA 3.5Å; F307-M333 HydrophobicContact CD2-CE 3.61Å; F307-M333 HydrophobicContact CE2-CE 3.63Å; I321-M333 HydrophobicContact CG2-CE 4.09Å; L324-M333 HydrophobicContact CB-CE 3.95Å; S325-M333 WeakPolarHBondContact CA-SD 3.49Å; I331-M333 HydrophobicContact CB-CG 4.45Å; I331-M333 HydrophobicContact CG2-CG 3.94Å; I331-M333 PolarHBondContact O-N 3.15Å; I331-M333 VanDerWaalsContact O-N 3.12Å; M333-L341 HydrophobicContact CB-CD1 4.45Å; M333-L341 HydrophobicContact CB-CG 4.26Å; M333-N344 WeakPolarHBondContact O-CB 3.46Å; M333-N344 PolarHBondContact O-ND2 2.92Å
334L96.4Very high95.4Very high1 Ų144.2 Ų44.21%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-97.8146.9162.1-49.1-171.2000109.3F304 A305 F307 A308 N344 R348F304-L334 HydrophobicContact CE2-CD1 4.46Å; F304-L334 HydrophobicContact CE2-CD2 3.87Å; F304-L334 HydrophobicContact CE2-CG 3.91Å; F304-L334 HydrophobicContact CZ-CD1 3.79Å; F304-L334 HydrophobicContact CZ-CD2 4.03Å; F304-L334 HydrophobicContact CZ-CG 3.57Å; A305-L334 PolarHBondContact O-N 3.16Å; F307-L334 CarbonylContact C-O 3.59Å; F307-L334 WeakPolarHBondContact CA-O 3.24Å; F307-L334 WeakPolarHBondContact CB-O 3.32Å; F307-L334 PolarHBondContact N-O 3.22Å; A308-L334 HydrophobicContact CB-CB 4.01Å; L334-N344 HydrophobicContact CD2-CB 3.65Å; L334-R348 HydrophobicContact CD2-CB 4.37Å
335G94.1Very high95.4Very high0 Ų044.1 Ų44.10%022%0.224CC..  trans-170.2-176.217300000112.8T345G335-T345 PolarHBondContact N-OG1 3.33Å; G335-T345 PolarHBondContact O-OG1 3.31Å
336D92.1Very high95.4Very high9 Ų943.5 Ų43.55%0.04822%0.22CC..SBendtrans-104.6-1.2-175.9-55.1-69.7000113.4S309 W310 L318 H358 S362S309-D336 WeakPolarHBondContact CA-OD1 3.12Å; S309-D336 VanDerWaalsContact CA-OD2 3.27Å; S309-D336 WeakPolarHBondContact CA-OD2 3.42Å; S309-D336 PolarHBondContact N-OD1 3.03Å; S309-D336 PolarHBondContact N-OD2 2.99Å; W310-D336 PolarHBondContact N-OD2 3.03Å; L318-D336 HydrophobicContact CD2-CB 4.26Å; D336-H358 IonicContact OD1-CE1 3.6Å; D336-H358 IonicContact OD1-CG 2.59Å; D336-H358 IonicContact OD1-ND1 2.79Å; D336-H358 PolarHBondContact OD1-ND1 3.22Å; D336-S362 WeakPolarHBondContact O-CB 3.34Å; D336-S362 PolarHBondContact O-OG 3.04Å
337R91.9Very high95.2Very high90 Ų9040.2 Ų40.234%0.3421%0.208SC..SBendtrans-137.3143.4176.4-178.9172.8-91.6-170.10.7110.8L318 E319 Y322 L341L318-R337 HydrophobicContact CB-CB 4.42Å; E319-R337 WeakPolarHBondContact OE2-CD 3.23Å; E319-R337 IonicContact OE2-NH1 3.15Å; E319-R337 PolarHBondContact OE2-NH1 3.16Å; Y322-R337 HydrophobicContact CG-CG 4.47Å; R337-L341 WeakPolarHBondContact O-CB 3.28Å
338G91.7Very high95Very high12 Ų1239.8 Ų39.812%0.12420%0.202CC..SBendtrans92.1135.8-179.700000113.2Y322 Q340 L341 L342Y322-G338 VanDerWaalsContact CE2-CA 3.41Å; G338-Q340 PolarHBondContact O-N 3.04Å; G338-L341 PolarHBondContact O-N 3.41Å; G338-L342 WeakPolarHBondContact O-CB 3.1Å; G338-L342 WeakPolarHBondContact O-CG 3.23Å; G338-L342 PolarHBondContact O-N 3.49Å
339D91.6Very high94.7Very high64 Ų6438.5 Ų38.534%0.34220%0.196SC..Hα-helixtrans-57.6-45-172.2-70.7-19000113L342 L343 K374D339-L342 PolarHBondContact O-N 2.9Å; D339-L343 WeakPolarHBondContact O-CB 3.29Å; D339-L343 PolarHBondContact O-N 2.92Å; D339-K374 IonicContact OD1-NZ 2.97Å; D339-K374 PolarHBondContact OD1-NZ 2.97Å; D339-K374 WeakPolarHBondContact OD2-CD 3.33Å; D339-K374 WeakPolarHBondContact OD2-CE 3.42Å; D339-K374 IonicContact OD2-NZ 3.18Å; D339-K374 PolarHBondContact OD2-NZ 3.05Å
340Q94.3Very high94.3Very high113 Ų11337.2 Ų37.253%0.52818%0.18SC..Hα-helixtrans-66.3-40.1-179.2-170.460.254.500111.9G338 L343 N344G338-Q340 PolarHBondContact O-N 3.04Å; Q340-L343 PolarHBondContact O-N 3.17Å; Q340-N344 PolarHBondContact NE2-OD1 3.4Å; Q340-N344 WeakPolarHBondContact O-CB 3.33Å; Q340-N344 PolarHBondContact O-N 3.07Å; Q340-N344 PolarHBondContact O-ND2 2.95Å; Q340-N344 PolarHBondContact O-OD1 3.3Å
341L96.1Very high93.8Very high5 Ų534.9 Ų34.93%0.02617%0.172CC..Hα-helixtrans-68.1-44.8179.4-89.562.4000110.4I321 S325 M333 R337 G338 N344 T345I321-L341 HydrophobicContact CG2-CD2 4.18Å; S325-L341 WeakPolarHBondContact OG-CD1 3.41Å; M333-L341 HydrophobicContact CB-CD1 4.45Å; M333-L341 HydrophobicContact CB-CG 4.26Å; R337-L341 WeakPolarHBondContact O-CB 3.28Å; G338-L341 PolarHBondContact O-N 3.41Å; L341-N344 PolarHBondContact O-N 3.29Å; L341-T345 WeakPolarHBondContact O-CB 2.83Å; L341-T345 PolarHBondContact O-N 3.21Å; L341-T345 PolarHBondContact O-OG1 3.09Å
342L95.5Very high93.4Very high1 Ų135.5 Ų35.51%0.00517%0.173CC..Hα-helixtrans-63.5-43.1176.2-69.9166.3000111.2G338 D339 N344 T345 L346 A359 I363G338-L342 WeakPolarHBondContact O-CB 3.1Å; G338-L342 WeakPolarHBondContact O-CG 3.23Å; G338-L342 PolarHBondContact O-N 3.49Å; D339-L342 PolarHBondContact O-N 2.9Å; L342-N344 PolarHBondContact O-N 3.07Å; L342-T345 WeakPolarHBondContact O-CB 3.25Å; L342-T345 PolarHBondContact O-N 3.09Å; L342-L346 WeakPolarHBondContact O-CG 3.29Å; L342-L346 PolarHBondContact O-N 2.96Å; L342-A359 HydrophobicContact CD2-CB 4.08Å; L342-I363 HydrophobicContact CB-CD1 4.24Å; L342-I363 HydrophobicContact CB-CG1 3.92Å; L342-I363 HydrophobicContact CD1-CG1 3.79Å; L342-I363 HydrophobicContact CD2-CG1 4.22Å; L342-I363 HydrophobicContact CG-CG1 4.19Å
343L96.3Very high93Very high27 Ų2732.4 Ų32.414%0.14116%0.155CC..Hα-helixtrans-60.1-44.9174.6177.760.7000111.6D339 Q340 T345 L346 T347 D376 L377 A380D339-L343 WeakPolarHBondContact O-CB 3.29Å; D339-L343 PolarHBondContact O-N 2.92Å; Q340-L343 PolarHBondContact O-N 3.17Å; L343-T345 VanDerWaalsContact C-N 3.33Å; L343-L346 PolarHBondContact O-N 3.05Å; L343-T347 VanDerWaalsContact O-CB 3.24Å; L343-T347 WeakPolarHBondContact O-CB 3.37Å; L343-T347 PolarHBondContact O-N 3.35Å; L343-T347 PolarHBondContact O-OG1 3.43Å; L343-D376 HydrophobicContact CD1-CB 4.35Å; L343-D376 HydrophobicContact CD2-CB 3.94Å; L343-L377 HydrophobicContact CB-CD1 4.35Å; L343-A380 HydrophobicContact CD1-CB 3.6Å
344N96.8Very high92.6Very high29 Ų2935.8 Ų35.816%0.15517%0.17CC..Hα-helixtrans-61.8-43.4175.2-66.7-16.5000110.6M333 L334 Q340 L341 L342 T347 R348M333-N344 WeakPolarHBondContact O-CB 3.46Å; M333-N344 PolarHBondContact O-ND2 2.92Å; L334-N344 HydrophobicContact CD2-CB 3.65Å; Q340-N344 PolarHBondContact NE2-OD1 3.4Å; Q340-N344 WeakPolarHBondContact O-CB 3.33Å; Q340-N344 PolarHBondContact O-N 3.07Å; Q340-N344 PolarHBondContact O-ND2 2.95Å; Q340-N344 PolarHBondContact O-OD1 3.3Å; L341-N344 PolarHBondContact O-N 3.29Å; L342-N344 PolarHBondContact O-N 3.07Å; N344-T347 PolarHBondContact O-N 3.18Å; N344-R348 VanDerWaalsContact O-CB 3.32Å; N344-R348 WeakPolarHBondContact O-CB 3.34Å; N344-R348 PolarHBondContact O-N 3.02Å
345T96.4Very high92.4Very high0 Ų035.8 Ų35.80%017%0.17CC..Hα-helixtrans-59.1-48.5177.2-63.10000110.9A308 G335 L341 L342 L343 N349 A359A308-T345 HydrophobicContact CB-CG2 3.89Å; G335-T345 PolarHBondContact N-OG1 3.33Å; G335-T345 PolarHBondContact O-OG1 3.31Å; L341-T345 WeakPolarHBondContact O-CB 2.83Å; L341-T345 PolarHBondContact O-N 3.21Å; L341-T345 PolarHBondContact O-OG1 3.09Å; L342-T345 WeakPolarHBondContact O-CB 3.25Å; L342-T345 PolarHBondContact O-N 3.09Å; L343-T345 VanDerWaalsContact C-N 3.33Å; T345-N349 VanDerWaalsContact O-CB 3.23Å; T345-N349 WeakPolarHBondContact O-CB 3.4Å; T345-N349 PolarHBondContact O-N 3.41Å; T345-N349 PolarHBondContact O-ND2 3Å; T345-A359 HydrophobicContact CG2-CB 3.77Å
346L96.3Very high92.4Very high4 Ų435.8 Ų35.82%0.02117%0.17CC..Hα-helixtrans-65.9-38.5177.5-65.1-171.5000112.8L342 L343 L356 A359 L360 I363 L377 A380 V381 V384L342-L346 WeakPolarHBondContact O-CG 3.29Å; L342-L346 PolarHBondContact O-N 2.96Å; L343-L346 PolarHBondContact O-N 3.05Å; L346-L356 HydrophobicContact CD2-CD2 3.85Å; L346-A359 HydrophobicContact CD2-CB 3.78Å; L346-L360 HydrophobicContact CD2-CD2 4.38Å; L346-L360 HydrophobicContact CD2-CG 4.45Å; L346-I363 HydrophobicContact CD1-CD1 3.45Å; L346-I363 VanDerWaalsContact CD1-CD1 3.45Å; L346-I363 HydrophobicContact CD2-CD1 4.3Å; L346-I363 HydrophobicContact CG-CD1 4Å; L346-L377 HydrophobicContact CD1-CD1 4.21Å; L346-A380 HydrophobicContact CB-CB 3.95Å; L346-A380 HydrophobicContact CD1-CB 3.93Å; L346-V381 HydrophobicContact CD1-CG2 3.68Å; L346-V384 HydrophobicContact CB-CG2 4.14Å; L346-V384 HydrophobicContact CD2-CG2 4.15Å
347T94.1Very high92.4Very high44 Ų4438.8 Ų38.827%0.2718%0.184SC..Hα-helixtrans-75.3-39-173.4-60.70000112.4I9 L343 N344I9-T347 HydrophobicContact CD1-CG2 3.91Å; L343-T347 VanDerWaalsContact O-CB 3.24Å; L343-T347 WeakPolarHBondContact O-CB 3.37Å; L343-T347 PolarHBondContact O-N 3.35Å; L343-T347 PolarHBondContact O-OG1 3.43Å; N344-T347 PolarHBondContact O-N 3.18Å
348R92Very high92.3Very high100 Ų10036.9 Ų36.938%0.37718%0.179SC..Hα-helixtrans-81.8-41.8-177.1-176.5174.1166.597.98.8112.6H277 L334 N344 K350H277-R348 PolarHBondContact CE1-NH2 3.04Å; H277-R348 PolarHBondContact NE2-NH1 3.28Å; H277-R348 VanDerWaalsContact NE2-NH1 3.13Å; H277-R348 PolarHBondContact NE2-NH2 3.32Å; L334-R348 HydrophobicContact CD2-CB 4.37Å; N344-R348 VanDerWaalsContact O-CB 3.32Å; N344-R348 WeakPolarHBondContact O-CB 3.34Å; N344-R348 PolarHBondContact O-N 3.02Å; R348-K350 PolarHBondContact O-N 2.87Å
349N90.4Very high92.5Very high2 Ų236.3 Ų36.31%0.01117%0.173CC..  trans-8470.6-170.8-69.7-59.2000113.2T345 D351 R352 L356T345-N349 VanDerWaalsContact O-CB 3.23Å; T345-N349 WeakPolarHBondContact O-CB 3.4Å; T345-N349 PolarHBondContact O-N 3.41Å; T345-N349 PolarHBondContact O-ND2 3Å; N349-D351 PolarHBondContact O-N 3.13Å; N349-R352 HydrophobicContact CB-CB 4.04Å; N349-R352 HydrophobicContact CB-CG 4.39Å; N349-R352 VanDerWaalsContact OD1-CD 3.26Å; N349-R352 WeakPolarHBondContact OD1-CD 3.42Å; N349-R352 PolarHBondContact OD1-NH1 3.19Å; N349-L356 HydrophobicContact CB-CD2 3.99Å; N349-L356 HydrophobicContact CB-CG 4.17Å; N349-L356 WeakPolarHBondContact O-CD1 3.4Å; N349-L356 VanDerWaalsContact O-CD2 3.32Å; N349-L356 WeakPolarHBondContact O-CD2 3.35Å; N349-L356 WeakPolarHBondContact O-CG 3.39Å
350K86.3Confident92.7Very high80 Ų8033.3 Ų33.335%0.34816%0.157SC..SBendtrans-62.6-43.6-177.7-60.7178-171.2174.60113.4D6 R348 L387 H388D6-K350 IonicContact OD2-NZ 3.36Å; D6-K350 PolarHBondContact OD2-NZ 3.28Å; R348-K350 PolarHBondContact O-N 2.87Å; K350-L387 HydrophobicContact CB-CD1 4.4Å; K350-H388 PolarHBondContact O-NE2 3.07Å
351D84.3Confident92.6Very high69 Ų6932.4 Ų32.437%0.36915%0.152SC..SBendtrans-111.55.7-173.275.8-53000113.9R174 R199 N349 A353R174-D351 IonicContact CZ-OD2 3.96Å; R174-D351 IonicContact NH2-OD2 3.11Å; R174-D351 PolarHBondContact NH2-OD2 3.22Å; R199-D351 IonicContact CZ-OD2 2.72Å; R199-D351 IonicContact NH1-OD2 3.43Å; R199-D351 PolarHBondContact NH1-OD2 3.2Å; R199-D351 IonicContact NH2-OD2 3.62Å; R199-D351 PolarHBondContact NH2-OD2 3.07Å; N349-D351 PolarHBondContact O-N 3.13Å; D351-A353 PolarHBondContact O-N 3.17Å
352R89.8Confident92.4Very high21 Ų2132.8 Ų32.88%0.07916%0.155CC..  trans-98.970.8-178.5-48-163.4-172.9160.8-11.2111.4D248 S250 D279 N349 F354 Y355 L356D248-R352 IonicContact OD1-NH2 2.79Å; D248-R352 IonicContact OD2-CZ 2.76Å; D248-R352 IonicContact OD2-NH2 3.98Å; D248-R352 PolarHBondContact OD2-NH2 3.14Å; S250-R352 PolarHBondContact OG-NH1 3.12Å; D279-R352 IonicContact OD1-NH1 3.44Å; D279-R352 IonicContact OD2-CZ 2.82Å; D279-R352 IonicContact OD2-NH1 2.64Å; D279-R352 PolarHBondContact OD2-NH1 2.95Å; D279-R352 IonicContact OD2-NH2 2.74Å; N349-R352 HydrophobicContact CB-CB 4.04Å; N349-R352 HydrophobicContact CB-CG 4.39Å; N349-R352 VanDerWaalsContact OD1-CD 3.26Å; N349-R352 WeakPolarHBondContact OD1-CD 3.42Å; N349-R352 PolarHBondContact OD1-NH1 3.19Å; R352-F354 PolarHBondContact O-N 3.17Å; R352-F354 VanDerWaalsContact O-N 3.09Å; R352-Y355 HydrophobicContact CB-CD2 3.58Å; R352-Y355 HydrophobicContact CB-CE2 4.03Å; R352-Y355 HydrophobicContact CB-CG 4.3Å; R352-Y355 VanDerWaalsContact CD-CD2 3.49Å; R352-Y355 HydrophobicContact CG-CD2 4.22Å; R352-Y355 HydrophobicContact CG-CE2 4.31Å; R352-Y355 PolarHBondContact O-N 3.49Å; R352-Y355 VanDerWaalsContact O-N 3.13Å; R352-L356 PolarHBondContact O-N 3.43Å; R352-L356 VanDerWaalsContact O-N 3.15Å
353A89.7Confident92.4Very high7 Ų732.8 Ų32.86%0.05816%0.155CC..Hα-helixtrans-56-30.4-174.200000114.9D351 L356 Q357 M394D351-A353 PolarHBondContact O-N 3.17Å; A353-L356 PolarHBondContact O-N 2.94Å; A353-Q357 WeakPolarHBondContact O-CB 3.38Å; A353-Q357 PolarHBondContact O-N 3.26Å; A353-M394 VanDerWaalsContact C-CE 3.49Å; A353-M394 VanDerWaalsContact CA-CE 3.4Å; A353-M394 HydrophobicContact CB-CE 3.49Å; A353-M394 VanDerWaalsContact CB-CE 3.49Å; A353-M394 WeakPolarHBondContact O-CE 3.41Å
354F88.6Confident92.2Very high74 Ų7434.9 Ų34.933%0.32516%0.163SC..Hα-helixtrans-62.7-48.8178-170.8-82.6000111.4P253 S309 R352 L356 Q357 H358P253-F354 HydrophobicContact CG-CD1 4.18Å; P253-F354 HydrophobicContact CG-CE1 3.29Å; P253-F354 HydrophobicContact CG-CE2 4.47Å; P253-F354 HydrophobicContact CG-CZ 3.44Å; P253-F354 VanDerWaalsContact CG-CZ 3.44Å; S309-F354 VanDerWaalsContact OG-CE1 3.28Å; S309-F354 WeakPolarHBondContact OG-CE1 3.38Å; R352-F354 PolarHBondContact O-N 3.17Å; R352-F354 VanDerWaalsContact O-N 3.09Å; F354-L356 PolarHBondContact O-N 3.06Å; F354-Q357 PolarHBondContact O-N 2.97Å; F354-H358 PolarHBondContact O-N 3.35Å; F354-H358 VanDerWaalsContact O-N 3.12Å
355Y92.1Very high91.9Very high0 Ų039.1 Ų39.10%018%0.182CC..Hα-helixtrans-67.3-39179.4-49-30.8000111.8S250 D251 S281 R352 H358 A359S250-Y355 WeakPolarHBondContact CB-OH 3.29Å; D251-Y355 PolarHBondContact N-OH 3.49Å; D251-Y355 VanDerWaalsContact N-OH 3.17Å; D251-Y355 WeakPolarHBondContact O-CE1 3.21Å; D251-Y355 PolarHBondContact O-OH 2.94Å; S281-Y355 PolarHBondContact O-OH 3.24Å; R352-Y355 HydrophobicContact CB-CD2 3.58Å; R352-Y355 HydrophobicContact CB-CE2 4.03Å; R352-Y355 HydrophobicContact CB-CG 4.3Å; R352-Y355 VanDerWaalsContact CD-CD2 3.49Å; R352-Y355 HydrophobicContact CG-CD2 4.22Å; R352-Y355 HydrophobicContact CG-CE2 4.31Å; R352-Y355 PolarHBondContact O-N 3.49Å; R352-Y355 VanDerWaalsContact O-N 3.13Å; Y355-H358 PolarHBondContact O-N 3.11Å; Y355-A359 VanDerWaalsContact O-CB 3.28Å; Y355-A359 WeakPolarHBondContact O-CB 3.44Å; Y355-A359 PolarHBondContact O-N 3.07Å
356L94.2Very high91.6Very high0 Ų041.8 Ų41.80%020%0.204CC..Hα-helixtrans-62.1-42.3176.3-71.7177.8000112.1L346 N349 R352 A353 F354 A359 L360 V384 H388 M394L346-L356 HydrophobicContact CD2-CD2 3.85Å; N349-L356 HydrophobicContact CB-CD2 3.99Å; N349-L356 HydrophobicContact CB-CG 4.17Å; N349-L356 WeakPolarHBondContact O-CD1 3.4Å; N349-L356 VanDerWaalsContact O-CD2 3.32Å; N349-L356 WeakPolarHBondContact O-CD2 3.35Å; N349-L356 WeakPolarHBondContact O-CG 3.39Å; R352-L356 PolarHBondContact O-N 3.43Å; R352-L356 VanDerWaalsContact O-N 3.15Å; A353-L356 PolarHBondContact O-N 2.94Å; F354-L356 PolarHBondContact O-N 3.06Å; L356-A359 PolarHBondContact O-N 3.31Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.5Å; L356-L360 PolarHBondContact O-N 3.3Å; L356-V384 HydrophobicContact CB-CG1 4.21Å; L356-V384 HydrophobicContact CD1-CG1 3.93Å; L356-V384 HydrophobicContact CD1-CG2 4.38Å; L356-V384 HydrophobicContact CD2-CG1 4.25Å; L356-V384 HydrophobicContact CD2-CG2 3.75Å; L356-V384 HydrophobicContact CG-CG1 4.37Å; L356-H388 WeakPolarHBondContact CD1-NE2 3.42Å; L356-M394 HydrophobicContact CB-CE 3.8Å; L356-M394 HydrophobicContact CB-SD 4.42Å
357Q91.8Very high91.3Very high72 Ų7241.6 Ų41.634%0.33620%0.203SC..Hα-helixtrans-64.6-44.7178.1-177.4177.8-5.800111.1A353 F354 L360 H361 M394A353-Q357 WeakPolarHBondContact O-CB 3.38Å; A353-Q357 PolarHBondContact O-N 3.26Å; F354-Q357 PolarHBondContact O-N 2.97Å; Q357-L360 PolarHBondContact O-N 3.36Å; Q357-H361 PolarHBondContact O-N 3.39Å; Q357-H361 VanDerWaalsContact O-N 3.09Å; Q357-M394 HydrophobicContact CB-CE 3.83Å; Q357-M394 HydrophobicContact CB-SD 4.03Å
358H90.5Very high90.9Very high51 Ų5143.2 Ų43.224%0.23621%0.21CC..Hα-helixtrans-62.1-46.2176.3-162.5-99.2000111.3D336 F354 Y355 L360 H361 S362D336-H358 IonicContact OD1-CE1 3.6Å; D336-H358 IonicContact OD1-CG 2.59Å; D336-H358 IonicContact OD1-ND1 2.79Å; D336-H358 PolarHBondContact OD1-ND1 3.22Å; F354-H358 PolarHBondContact O-N 3.35Å; F354-H358 VanDerWaalsContact O-N 3.12Å; Y355-H358 PolarHBondContact O-N 3.11Å; H358-L360 VanDerWaalsContact C-N 3.34Å; H358-L360 PolarHBondContact O-N 3.13Å; H358-H361 WeakPolarHBondContact O-CB 3.17Å; H358-H361 PolarHBondContact O-N 3.02Å; H358-H361 VanDerWaalsContact O-N 3.07Å; H358-S362 PolarHBondContact O-N 2.57Å; H358-S362 PolarHBondContact O-OG 2.68Å
359A94.7Very high90.4Very high0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-59.7-41.1176.200000112.5L342 T345 L346 Y355 L356 H361 S362 I363L342-A359 HydrophobicContact CD2-CB 4.08Å; T345-A359 HydrophobicContact CG2-CB 3.77Å; L346-A359 HydrophobicContact CD2-CB 3.78Å; Y355-A359 VanDerWaalsContact O-CB 3.28Å; Y355-A359 WeakPolarHBondContact O-CB 3.44Å; Y355-A359 PolarHBondContact O-N 3.07Å; L356-A359 PolarHBondContact O-N 3.31Å; A359-H361 VanDerWaalsContact C-N 3.3Å; A359-H361 PolarHBondContact O-N 2.81Å; A359-S362 PolarHBondContact O-N 3.41Å; A359-I363 WeakPolarHBondContact O-CB 3.41Å; A359-I363 WeakPolarHBondContact O-CD1 3.3Å; A359-I363 WeakPolarHBondContact O-CG1 3.42Å; A359-I363 PolarHBondContact O-N 3Å
360L95.7Very high89.5Confident1 Ų146.8 Ų46.81%0.00524%0.235CC..Hα-helixtrans-61.5-40174.7-72.3172.8000111.8L346 L356 Q357 H358 I363 F364 V381 V384 M394 A397 V401L346-L360 HydrophobicContact CD2-CD2 4.38Å; L346-L360 HydrophobicContact CD2-CG 4.45Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.5Å; L356-L360 PolarHBondContact O-N 3.3Å; Q357-L360 PolarHBondContact O-N 3.36Å; H358-L360 VanDerWaalsContact C-N 3.34Å; H358-L360 PolarHBondContact O-N 3.13Å; L360-I363 PolarHBondContact O-N 3.25Å; L360-F364 WeakPolarHBondContact O-CB 3.4Å; L360-F364 PolarHBondContact O-N 2.93Å; L360-V381 HydrophobicContact CD2-CB 4.37Å; L360-V381 HydrophobicContact CD2-CG1 3.93Å; L360-V381 HydrophobicContact CD2-CG2 3.93Å; L360-V384 HydrophobicContact CD1-CG1 4.27Å; L360-M394 HydrophobicContact CD1-SD 3.97Å; L360-A397 HydrophobicContact CB-CB 3.88Å; L360-A397 HydrophobicContact CD1-CB 4.11Å; L360-V401 HydrophobicContact CD2-CG2 4.36Å; L360-V401 WeakPolarHBondContact O-CG2 3.49Å
361H92.9Very high88.7Confident93 Ų9351.1 Ų51.143%0.43126%0.256SS..Hα-helixtrans-64.4-48.3175.5-177.358.7000111.8Q357 H358 A359 I363 F364 E365Q357-H361 PolarHBondContact O-N 3.39Å; Q357-H361 VanDerWaalsContact O-N 3.09Å; H358-H361 WeakPolarHBondContact O-CB 3.17Å; H358-H361 PolarHBondContact O-N 3.02Å; H358-H361 VanDerWaalsContact O-N 3.07Å; A359-H361 VanDerWaalsContact C-N 3.3Å; A359-H361 PolarHBondContact O-N 2.81Å; H361-I363 VanDerWaalsContact C-N 3.3Å; H361-I363 PolarHBondContact O-N 3.16Å; H361-F364 WeakPolarHBondContact O-CB 3.5Å; H361-F364 PolarHBondContact O-N 3.43Å; H361-F364 VanDerWaalsContact O-N 3.07Å; H361-E365 IonicContact CE1-OE1 2.74Å; H361-E365 IonicContact NE2-OE1 2.99Å; H361-E365 PolarHBondContact NE2-OE1 3.16Å; H361-E365 PolarHBondContact O-N 3.07Å
362S92.4Very high88.6Confident13 Ų1350.9 Ų50.99%0.09126%0.26CS..Hα-helixtrans-61.8-36.9176.5-53.90000112.7D336 H358 A359 E365 A366D336-S362 WeakPolarHBondContact O-CB 3.34Å; D336-S362 PolarHBondContact O-OG 3.04Å; H358-S362 PolarHBondContact O-N 2.57Å; H358-S362 PolarHBondContact O-OG 2.68Å; A359-S362 PolarHBondContact O-N 3.41Å; S362-E365 PolarHBondContact O-N 3.04Å; S362-A366 VanDerWaalsContact O-CB 3.24Å; S362-A366 WeakPolarHBondContact O-CB 3.3Å; S362-A366 PolarHBondContact O-N 3.03Å
363I94.3Very high88.3Confident1 Ų151.5 Ų51.51%0.00527%0.266CS..Hα-helixtrans-64.1-43.5173.4-68.7161.1000110.4L342 L346 A359 L360 H361 E365 A366 T367 L377 V381 V401L342-I363 HydrophobicContact CB-CD1 4.24Å; L342-I363 HydrophobicContact CB-CG1 3.92Å; L342-I363 HydrophobicContact CD1-CG1 3.79Å; L342-I363 HydrophobicContact CD2-CG1 4.22Å; L342-I363 HydrophobicContact CG-CG1 4.19Å; L346-I363 HydrophobicContact CD1-CD1 3.45Å; L346-I363 VanDerWaalsContact CD1-CD1 3.45Å; L346-I363 HydrophobicContact CD2-CD1 4.3Å; L346-I363 HydrophobicContact CG-CD1 4Å; A359-I363 WeakPolarHBondContact O-CB 3.41Å; A359-I363 WeakPolarHBondContact O-CD1 3.3Å; A359-I363 WeakPolarHBondContact O-CG1 3.42Å; A359-I363 PolarHBondContact O-N 3Å; L360-I363 PolarHBondContact O-N 3.25Å; H361-I363 VanDerWaalsContact C-N 3.3Å; H361-I363 PolarHBondContact O-N 3.16Å; I363-E365 PolarHBondContact O-N 3.4Å; I363-A366 PolarHBondContact O-N 2.93Å; I363-T367 HydrophobicContact CG2-CG2 4.08Å; I363-T367 VanDerWaalsContact O-CB 3.32Å; I363-T367 WeakPolarHBondContact O-CB 3.22Å; I363-T367 VanDerWaalsContact O-CG2 3.24Å; I363-T367 WeakPolarHBondContact O-CG2 3.22Å; I363-T367 PolarHBondContact O-N 3.05Å; I363-T367 PolarHBondContact O-OG1 2.74Å; I363-L377 HydrophobicContact CD1-CD1 3.72Å; I363-L377 HydrophobicContact CD1-CG 4.34Å; I363-L377 HydrophobicContact CG1-CD1 4.17Å; I363-L377 HydrophobicContact CG1-CD2 4.32Å; I363-L377 HydrophobicContact CG2-CD2 3.78Å; I363-L377 HydrophobicContact CG2-CG 4.29Å; I363-V381 HydrophobicContact CD1-CG2 4.33Å; I363-V401 HydrophobicContact CB-CG1 4.48Å; I363-V401 HydrophobicContact CB-CG2 4.27Å; I363-V401 HydrophobicContact CG2-CB 4.46Å; I363-V401 HydrophobicContact CG2-CG1 3.51Å; I363-V401 HydrophobicContact CG2-CG2 4.06Å
364F93.3Very high88.3Confident72 Ų7252.6 Ų52.632%0.31627%0.27SS..Hα-helixtrans-57.8-48.8177.8169.3-100.4000111L360 H361 T367 N368 A400 V401 N404L360-F364 WeakPolarHBondContact O-CB 3.4Å; L360-F364 PolarHBondContact O-N 2.93Å; H361-F364 WeakPolarHBondContact O-CB 3.5Å; H361-F364 PolarHBondContact O-N 3.43Å; H361-F364 VanDerWaalsContact O-N 3.07Å; F364-T367 PolarHBondContact O-N 3.46Å; F364-T367 PolarHBondContact O-OG1 3.25Å; F364-N368 PolarHBondContact O-N 3.01Å; F364-A400 HydrophobicContact CD2-CB 3.7Å; F364-A400 HydrophobicContact CE2-CB 3.95Å; F364-A400 HydrophobicContact CG-CB 4.43Å; F364-V401 HydrophobicContact CB-CG2 3.89Å; F364-N404 WeakPolarHBondContact CD2-ND2 3.12Å; F364-N404 WeakPolarHBondContact CE2-ND2 3.38Å; F364-N404 PolarHBondContact O-ND2 3.03Å; F364-N404 VanDerWaalsContact O-ND2 3.07Å
365E90.7Very high88.6Confident117 Ų11751.2 Ų51.255%0.54727%0.268SS..Hα-helixtrans-60.8-48.1176.5-66.3-176.5151.800111.9H361 S362 I363 T367 N368H361-E365 IonicContact CE1-OE1 2.74Å; H361-E365 IonicContact NE2-OE1 2.99Å; H361-E365 PolarHBondContact NE2-OE1 3.16Å; H361-E365 PolarHBondContact O-N 3.07Å; S362-E365 PolarHBondContact O-N 3.04Å; I363-E365 PolarHBondContact O-N 3.4Å; E365-T367 PolarHBondContact O-N 3.38Å; E365-N368 WeakPolarHBondContact O-CB 3.37Å; E365-N368 PolarHBondContact O-N 2.61Å
366A88.8Confident88.7Confident56 Ų5656.1 Ų56.146%0.46329%0.294SS..Hα-helixtrans-66.8-16.5-179.600000114.1S362 I363S362-A366 VanDerWaalsContact O-CB 3.24Å; S362-A366 WeakPolarHBondContact O-CB 3.3Å; S362-A366 PolarHBondContact O-N 3.03Å; I363-A366 PolarHBondContact O-N 2.93Å
367T89.9Confident88.7Confident0 Ų056.4 Ų56.40%030%0.296CS..THydrogen-bonded Turntrans-107.25.8-179.456.50000113.2I363 F364 E365 N369 N404 L405I363-T367 HydrophobicContact CG2-CG2 4.08Å; I363-T367 VanDerWaalsContact O-CB 3.32Å; I363-T367 WeakPolarHBondContact O-CB 3.22Å; I363-T367 VanDerWaalsContact O-CG2 3.24Å; I363-T367 WeakPolarHBondContact O-CG2 3.22Å; I363-T367 PolarHBondContact O-N 3.05Å; I363-T367 PolarHBondContact O-OG1 2.74Å; F364-T367 PolarHBondContact O-N 3.46Å; F364-T367 PolarHBondContact O-OG1 3.25Å; E365-T367 PolarHBondContact O-N 3.38Å; T367-N369 PolarHBondContact O-N 3.44Å; T367-N404 VanDerWaalsContact OG1-CB 3.31Å; T367-N404 WeakPolarHBondContact OG1-CB 3.26Å; T367-N404 PolarHBondContact OG1-ND2 2.91Å; T367-L405 HydrophobicContact CG2-CD2 3.81Å
368N86.6Confident88.9Confident78 Ų7853 Ų5342%0.41728%0.28SS..THydrogen-bonded Turntrans-70.2-30.4-177.3-167.139.6000113.8F364 E365 R407F364-N368 PolarHBondContact O-N 3.01Å; E365-N368 WeakPolarHBondContact O-CB 3.37Å; E365-N368 PolarHBondContact O-N 2.61Å; N368-R407 PolarHBondContact O-NH2 3.28Å
369N81.6Confident89.2Confident147 Ų14753.7 Ų53.779%0.78628%0.283SS*.THydrogen-bonded Turntrans-119.546.8178.7-67.3-16.9000111.6T367T367-N369 PolarHBondContact O-N 3.44Å
370R70.4Confident89.3Confident30 Ų3054 Ų5411%0.11329%0.286CS..  trans-61.3138-165.2-173-168.4-173.1-165.722.5115.2S372 V373 K374 L405R370-S372 WeakPolarHBondContact CG-O 3.49Å; R370-S372 PolarHBondContact NE-O 3.35Å; R370-V373 VanDerWaalsContact NH2-CA 3.33Å; R370-K374 VanDerWaalsContact NH2-N 3.16Å; R370-L405 PolarHBondContact NH1-O 3.09Å; R370-L405 PolarHBondContact NH2-O 3.25Å
371E71Confident89.3Confident171 Ų17154 Ų5480%0.79929%0.285SS*.  trans-109.3-28.5170.5-63.7178174.500114.3Q410E371-Q410 PolarHBondContact O-NE2 3.25Å; E371-Q410 VanDerWaalsContact O-NE2 3.1Å
372S81.5Confident89.6Confident65 Ų6549.9 Ų49.946%0.45527%0.267SS..SBendtrans-131.8153.6-168.767.60000115.3R370R370-S372 WeakPolarHBondContact CG-O 3.49Å; R370-S372 PolarHBondContact NE-O 3.35Å
373V83.7Confident89.7Confident34 Ų3453.3 Ų53.321%0.20628%0.278CS..  trans-79.1137-177.3-171.60000112.1R370 Q410 Q413 L414R370-V373 VanDerWaalsContact NH2-CA 3.33Å; V373-Q410 HydrophobicContact CG2-CB 3.71Å; V373-Q410 WeakPolarHBondContact CG2-O 3.36Å; V373-Q413 HydrophobicContact CG2-CB 4.14Å; V373-L414 HydrophobicContact CG1-CD2 3.47Å; V373-L414 VanDerWaalsContact CG1-CD2 3.47Å; V373-L414 HydrophobicContact CG1-CG 3.9Å
374K90.1Very high89.8Confident30 Ų3053.3 Ų53.313%0.1328%0.278CS..  trans-130.771.9-173-56.7-175.8-174.6-1760111.6D339 R370 L377 L378 L405D339-K374 IonicContact OD1-NZ 2.97Å; D339-K374 PolarHBondContact OD1-NZ 2.97Å; D339-K374 WeakPolarHBondContact OD2-CD 3.33Å; D339-K374 WeakPolarHBondContact OD2-CE 3.42Å; D339-K374 IonicContact OD2-NZ 3.18Å; D339-K374 PolarHBondContact OD2-NZ 3.05Å; R370-K374 VanDerWaalsContact NH2-N 3.16Å; K374-L377 HydrophobicContact CB-CB 3.96Å; K374-L377 HydrophobicContact CB-CD2 4.4Å; K374-L377 HydrophobicContact CD-CD2 3.93Å; K374-L378 PolarHBondContact O-N 3.16Å; K374-L378 VanDerWaalsContact O-N 3.15Å; K374-L405 HydrophobicContact CB-CD2 4.16Å
375P93.8Very high89.9Confident45 Ų4549.9 Ų49.929%0.29226%0.263SS..Hα-helixtrans-67.1-42.3-174.126.7-32.5000112.6L377 L378 Q379 L414 L418P375-L377 VanDerWaalsContact C-N 3.3Å; P375-L377 PolarHBondContact O-N 2.92Å; P375-L378 PolarHBondContact O-N 3.27Å; P375-Q379 WeakPolarHBondContact O-CB 3.28Å; P375-Q379 PolarHBondContact O-N 2.96Å; P375-L414 HydrophobicContact CB-CD2 4.39Å; P375-L418 HydrophobicContact CB-CD2 3.83Å; P375-L418 WeakPolarHBondContact O-CD2 3.33Å
376D94.7Very high90.1Very high102 Ų10253.3 Ų53.355%0.54527%0.271SS..Hα-helixtrans-62.8-39.5-179.9-64.8-34.8000111.9L343 Q379 A380L343-D376 HydrophobicContact CD1-CB 4.35Å; L343-D376 HydrophobicContact CD2-CB 3.94Å; D376-Q379 PolarHBondContact O-N 3.24Å; D376-A380 WeakPolarHBondContact O-CB 3.3Å; D376-A380 PolarHBondContact O-N 2.61Å
377L94.6Very high90.3Very high7 Ų755 Ų554%0.03727%0.271CS..Hα-helixtrans-65-46.2176.8-167.260.9000111.1L343 L346 I363 K374 P375 Q379 A380 V381L343-L377 HydrophobicContact CB-CD1 4.35Å; L346-L377 HydrophobicContact CD1-CD1 4.21Å; I363-L377 HydrophobicContact CD1-CD1 3.72Å; I363-L377 HydrophobicContact CD1-CG 4.34Å; I363-L377 HydrophobicContact CG1-CD1 4.17Å; I363-L377 HydrophobicContact CG1-CD2 4.32Å; I363-L377 HydrophobicContact CG2-CD2 3.78Å; I363-L377 HydrophobicContact CG2-CG 4.29Å; K374-L377 HydrophobicContact CB-CB 3.96Å; K374-L377 HydrophobicContact CB-CD2 4.4Å; K374-L377 HydrophobicContact CD-CD2 3.93Å; P375-L377 VanDerWaalsContact C-N 3.3Å; P375-L377 PolarHBondContact O-N 2.92Å; L377-Q379 VanDerWaalsContact C-N 3.32Å; L377-Q379 PolarHBondContact O-N 3.31Å; L377-A380 PolarHBondContact O-N 3.43Å; L377-V381 VanDerWaalsContact O-CG2 3.23Å; L377-V381 WeakPolarHBondContact O-CG2 3.37Å; L377-V381 PolarHBondContact O-N 2.85Å
378L95.8Very high90.5Very high0 Ų056.1 Ų56.10%028%0.276CS..Hα-helixtrans-59.3-43.6174.6178.157.4000111.2K374 P375 A380 V381 L382 I402 L405 T406 L414 L418 A422K374-L378 PolarHBondContact O-N 3.16Å; K374-L378 VanDerWaalsContact O-N 3.15Å; P375-L378 PolarHBondContact O-N 3.27Å; L378-A380 VanDerWaalsContact C-N 3.33Å; L378-A380 PolarHBondContact O-N 3.41Å; L378-V381 PolarHBondContact O-N 2.89Å; L378-L382 HydrophobicContact CD1-CD1 4.24Å; L378-L382 HydrophobicContact CD1-CG 4.14Å; L378-L382 HydrophobicContact CG-CD1 4.18Å; L378-L382 VanDerWaalsContact O-CG 3.25Å; L378-L382 WeakPolarHBondContact O-CG 3.21Å; L378-L382 PolarHBondContact O-N 2.8Å; L378-I402 HydrophobicContact CD1-CG1 4.17Å; L378-L405 HydrophobicContact CB-CB 4.49Å; L378-L405 HydrophobicContact CB-CD1 3.85Å; L378-L405 HydrophobicContact CD1-CB 4.24Å; L378-L405 HydrophobicContact CD1-CD1 4.09Å; L378-T406 HydrophobicContact CD2-CG2 4.13Å; L378-L414 HydrophobicContact CD2-CD1 4.07Å; L378-L414 HydrophobicContact CD2-CD2 4.2Å; L378-L418 HydrophobicContact CB-CD2 4.17Å; L378-L418 HydrophobicContact CD2-CD1 4.48Å; L378-L418 HydrophobicContact CD2-CD2 3.94Å; L378-L418 HydrophobicContact CD2-CG 3.82Å; L378-L418 HydrophobicContact CG-CD1 4.23Å; L378-L418 HydrophobicContact CG-CD2 4.18Å; L378-L418 HydrophobicContact CG-CG 4.08Å; L378-A422 HydrophobicContact CD1-CB 4.38Å; L378-A422 HydrophobicContact CD2-CB 4.48Å
379Q96.7Very high90.8Very high65 Ų6554.7 Ų54.730%0.30427%0.269SS..Hα-helixtrans-60.7-41.3176.9176.8163.6-200112.6P375 D376 L377 R383 L418P375-Q379 WeakPolarHBondContact O-CB 3.28Å; P375-Q379 PolarHBondContact O-N 2.96Å; D376-Q379 PolarHBondContact O-N 3.24Å; L377-Q379 VanDerWaalsContact C-N 3.32Å; L377-Q379 PolarHBondContact O-N 3.31Å; Q379-R383 PolarHBondContact O-N 3.11Å; Q379-R383 VanDerWaalsContact O-N 3.09Å; Q379-L418 HydrophobicContact CB-CD1 3.98Å
380A96.4Very high91.3Very high7 Ų758.6 Ų58.66%0.05827%0.272CS..Hα-helixtrans-66.7-43.1176.400000112L343 L346 D376 L377 L378 L382 R383 V384L343-A380 HydrophobicContact CD1-CB 3.6Å; L346-A380 HydrophobicContact CB-CB 3.95Å; L346-A380 HydrophobicContact CD1-CB 3.93Å; D376-A380 WeakPolarHBondContact O-CB 3.3Å; D376-A380 PolarHBondContact O-N 2.61Å; L377-A380 PolarHBondContact O-N 3.43Å; L378-A380 VanDerWaalsContact C-N 3.33Å; L378-A380 PolarHBondContact O-N 3.41Å; A380-L382 PolarHBondContact O-N 2.82Å; A380-R383 WeakPolarHBondContact O-CB 3.39Å; A380-R383 PolarHBondContact O-N 3.07Å; A380-V384 WeakPolarHBondContact O-CG2 2.92Å; A380-V384 PolarHBondContact O-N 3.12Å
381V97.1Very high92.4Very high0 Ų061.6 Ų61.60%028%0.284CS..Hα-helixtrans-58.3-49.6175.3170.90000110.7L346 L360 I363 L377 L378 R383 V384 M385 V401L346-V381 HydrophobicContact CD1-CG2 3.68Å; L360-V381 HydrophobicContact CD2-CB 4.37Å; L360-V381 HydrophobicContact CD2-CG1 3.93Å; L360-V381 HydrophobicContact CD2-CG2 3.93Å; I363-V381 HydrophobicContact CD1-CG2 4.33Å; L377-V381 VanDerWaalsContact O-CG2 3.23Å; L377-V381 WeakPolarHBondContact O-CG2 3.37Å; L377-V381 PolarHBondContact O-N 2.85Å; L378-V381 PolarHBondContact O-N 2.89Å; V381-R383 VanDerWaalsContact C-N 3.26Å; V381-R383 PolarHBondContact O-N 3.3Å; V381-V384 PolarHBondContact O-N 3.42Å; V381-V384 VanDerWaalsContact O-N 3.09Å; V381-M385 HydrophobicContact CG1-CG 4.44Å; V381-M385 HydrophobicContact CG1-SD 4.05Å; V381-M385 WeakPolarHBondContact O-CG 3.14Å; V381-M385 PolarHBondContact O-N 2.92Å; V381-V401 HydrophobicContact CB-CG1 4.37Å; V381-V401 HydrophobicContact CG1-CB 4.26Å; V381-V401 HydrophobicContact CG1-CG1 4Å; V381-V401 HydrophobicContact CG2-CG1 3.64Å
382L97.5Very high93.6Very high7 Ų756.2 Ų56.24%0.03726%0.259CS..Hα-helixtrans-60.8-36.4178.5-66.7174000112.5L378 A380 R386 I402 L418 R421 A422 M425L378-L382 HydrophobicContact CD1-CD1 4.24Å; L378-L382 HydrophobicContact CD1-CG 4.14Å; L378-L382 HydrophobicContact CG-CD1 4.18Å; L378-L382 VanDerWaalsContact O-CG 3.25Å; L378-L382 WeakPolarHBondContact O-CG 3.21Å; L378-L382 PolarHBondContact O-N 2.8Å; A380-L382 PolarHBondContact O-N 2.82Å; L382-R386 WeakPolarHBondContact O-CB 3.44Å; L382-R386 PolarHBondContact O-N 3.26Å; L382-I402 HydrophobicContact CD2-CD1 3.62Å; L382-I402 HydrophobicContact CD2-CG1 4.09Å; L382-L418 HydrophobicContact CD1-CD1 3.74Å; L382-R421 HydrophobicContact CD1-CB 3.96Å; L382-A422 HydrophobicContact CD1-CB 4.25Å; L382-A422 HydrophobicContact CD2-CB 4.29Å; L382-M425 HydrophobicContact CD2-CB 3.71Å; L382-M425 HydrophobicContact CD2-CG 3.93Å
383R95.5Very high94.2Very high86 Ų8657.6 Ų57.633%0.32526%0.259SS..Hα-helixtrans-64-46.4174.1-178.9-171.8-175.7176.17.6111.2Q379 A380 V381 R386 L387Q379-R383 PolarHBondContact O-N 3.11Å; Q379-R383 VanDerWaalsContact O-N 3.09Å; A380-R383 WeakPolarHBondContact O-CB 3.39Å; A380-R383 PolarHBondContact O-N 3.07Å; V381-R383 VanDerWaalsContact C-N 3.26Å; V381-R383 PolarHBondContact O-N 3.3Å; R383-R386 PolarHBondContact O-N 3.34Å; R383-L387 HydrophobicContact CG-CD1 4.29Å; R383-L387 WeakPolarHBondContact O-CG 3.35Å; R383-L387 PolarHBondContact O-N 3.49Å
384V95.9Very high94.7Very high1 Ų156 Ų561%0.00625%0.249CC..Hα-helixtrans-62-47.9179.4168.30000110.6L346 L356 L360 A380 V381 R386 L387 H388L346-V384 HydrophobicContact CB-CG2 4.14Å; L346-V384 HydrophobicContact CD2-CG2 4.15Å; L356-V384 HydrophobicContact CB-CG1 4.21Å; L356-V384 HydrophobicContact CD1-CG1 3.93Å; L356-V384 HydrophobicContact CD1-CG2 4.38Å; L356-V384 HydrophobicContact CD2-CG1 4.25Å; L356-V384 HydrophobicContact CD2-CG2 3.75Å; L356-V384 HydrophobicContact CG-CG1 4.37Å; L360-V384 HydrophobicContact CD1-CG1 4.27Å; A380-V384 WeakPolarHBondContact O-CG2 2.92Å; A380-V384 PolarHBondContact O-N 3.12Å; V381-V384 PolarHBondContact O-N 3.42Å; V381-V384 VanDerWaalsContact O-N 3.09Å; V384-R386 VanDerWaalsContact C-N 3.31Å; V384-R386 PolarHBondContact O-N 2.63Å; V384-L387 PolarHBondContact O-N 3.25Å; V384-L387 VanDerWaalsContact O-N 3.12Å; V384-H388 PolarHBondContact O-CD2 3.48Å; V384-H388 PolarHBondContact O-N 3.28Å
385M96.9Very high95Very high0 Ų054.6 Ų54.60%024%0.243CC..Hα-helixtrans-56.2-46175.5-68.6177.177.300111.6V381 L387 H388 L389 I395 G398 T399 I402 M425V381-M385 HydrophobicContact CG1-CG 4.44Å; V381-M385 HydrophobicContact CG1-SD 4.05Å; V381-M385 WeakPolarHBondContact O-CG 3.14Å; V381-M385 PolarHBondContact O-N 2.92Å; M385-L387 VanDerWaalsContact C-N 3.32Å; M385-L387 PolarHBondContact O-N 3.03Å; M385-H388 CarbonylContact O-C 3.55Å; M385-H388 VanDerWaalsContact O-C 3.31Å; M385-H388 PolarHBondContact O-N 3.07Å; M385-H388 VanDerWaalsContact O-N 3.12Å; M385-L389 WeakPolarHBondContact O-CG 3.31Å; M385-L389 PolarHBondContact O-N 3.19Å; M385-I395 HydrophobicContact CB-CD1 3.79Å; M385-I395 HydrophobicContact CE-CD1 4.15Å; M385-I395 HydrophobicContact CE-CG2 4.12Å; M385-I395 HydrophobicContact CG-CD1 4.17Å; M385-I395 WeakPolarHBondContact O-CD1 3.19Å; M385-G398 VanDerWaalsContact SD-CA 3.56Å; M385-T399 HydrophobicContact CE-CG2 3.88Å; M385-I402 HydrophobicContact CE-CD1 3.86Å; M385-I402 HydrophobicContact SD-CD1 3.51Å; M385-I402 VanDerWaalsContact SD-CD1 3.51Å; M385-I402 HydrophobicContact SD-CG1 4.18Å; M385-M425 HydrophobicContact CB-CE 4.24Å; M385-M425 HydrophobicContact CB-CG 4.22Å; M385-M425 HydrophobicContact CB-SD 3.91Å; M385-M425 HydrophobicContact CE-CG 3.59Å; M385-M425 HydrophobicContact CE-SD 4.17Å; M385-M425 HydrophobicContact SD-CG 3.86Å
386R94.8Very high95.2Very high189 Ų18954.9 Ų54.971%0.71324%0.242SC*.Hα-helixtrans-60.1-39.3177.4-177.3-180144.4174.6-4.5113L382 R383 V384 H388 L389 M425L382-R386 WeakPolarHBondContact O-CB 3.44Å; L382-R386 PolarHBondContact O-N 3.26Å; R383-R386 PolarHBondContact O-N 3.34Å; V384-R386 VanDerWaalsContact C-N 3.31Å; V384-R386 PolarHBondContact O-N 2.63Å; R386-H388 VanDerWaalsContact C-N 3.3Å; R386-L389 WeakPolarHBondContact O-CG 3.42Å; R386-M425 HydrophobicContact CB-CE 3.94Å
387L92.2Very high95.2Very high91 Ų9151.1 Ų51.148%0.47623%0.225SC..Hα-helixtrans-70.7-28.2178.1-70.4172.8000112.4K350 R383 V384 M385K350-L387 HydrophobicContact CB-CD1 4.4Å; R383-L387 HydrophobicContact CG-CD1 4.29Å; R383-L387 WeakPolarHBondContact O-CG 3.35Å; R383-L387 PolarHBondContact O-N 3.49Å; V384-L387 PolarHBondContact O-N 3.25Å; V384-L387 VanDerWaalsContact O-N 3.12Å; M385-L387 VanDerWaalsContact C-N 3.32Å; M385-L387 PolarHBondContact O-N 3.03Å
388H93.6Very high95.3Very high23 Ų2350.8 Ų50.811%0.10622%0.223CC..THydrogen-bonded Turntrans-116.129.8-174.6-64.3-80.1000113.1K350 L356 V384 M385 R386 R390 R391 M394K350-H388 PolarHBondContact O-NE2 3.07Å; L356-H388 WeakPolarHBondContact CD1-NE2 3.42Å; V384-H388 PolarHBondContact O-CD2 3.48Å; V384-H388 PolarHBondContact O-N 3.28Å; M385-H388 CarbonylContact O-C 3.55Å; M385-H388 VanDerWaalsContact O-C 3.31Å; M385-H388 PolarHBondContact O-N 3.07Å; M385-H388 VanDerWaalsContact O-N 3.12Å; R386-H388 VanDerWaalsContact C-N 3.3Å; H388-R390 PolarHBondContact O-N 3.23Å; H388-R391 HydrophobicContact CB-CB 4.45Å; H388-R391 PolarHBondContact O-N 2.96Å; H388-M394 HydrophobicContact CB-CB 3.96Å; H388-M394 HydrophobicContact CB-CG 3.87Å
389L93.5Very high95.4Very high48 Ų4850.8 Ų50.825%0.25122%0.223SC..THydrogen-bonded Turntrans-55.1-17.7-177.9-76.7171.8000115M385 R386 I395 M425 T428 K432M385-L389 WeakPolarHBondContact O-CG 3.31Å; M385-L389 PolarHBondContact O-N 3.19Å; R386-L389 WeakPolarHBondContact O-CG 3.42Å; L389-I395 HydrophobicContact CD2-CD1 4.11Å; L389-M425 HydrophobicContact CD2-CE 4.3Å; L389-M425 HydrophobicContact CD2-SD 3.81Å; L389-T428 HydrophobicContact CD2-CG2 4.23Å; L389-K432 WeakPolarHBondContact O-CD 3.21Å; L389-K432 WeakPolarHBondContact O-CE 3.41Å; L389-K432 PolarHBondContact O-NZ 3.35Å
390R91.4Very high95.4Very high229 Ų22948.4 Ų48.486%0.86421%0.214SC*.THydrogen-bonded Turntrans-91-6.9178.7-63.4-176.3-177.8-177.80.1113.3H388H388-R390 PolarHBondContact O-N 3.23Å
391R94.1Very high95.4Very high94 Ų9448 Ų4836%0.35521%0.211SC..  trans-104.3108.7-174.7-63.1-17662.1141.7-2.2110.2H388 E393 M394 I395H388-R391 HydrophobicContact CB-CB 4.45Å; H388-R391 PolarHBondContact O-N 2.96Å; R391-E393 VanDerWaalsContact C-N 3.28Å; R391-E393 PolarHBondContact O-N 3.09Å; R391-M394 HydrophobicContact CB-CB 4.03Å; R391-M394 HydrophobicContact CB-CG 3.9Å; R391-M394 WeakPolarHBondContact O-CB 3.2Å; R391-M394 PolarHBondContact O-N 3.21Å; R391-I395 WeakPolarHBondContact O-CG1 3.48Å; R391-I395 PolarHBondContact O-N 3.05Å
392M95.2Very high95.3Very high58 Ų5848 Ų4829%0.28621%0.211SC..Hα-helixtrans-54.7-44.5-178.2-179.868.284.100112M394 I395 L396 F433 N436 L439M392-M394 VanDerWaalsContact C-N 3.26Å; M392-M394 PolarHBondContact O-N 3.29Å; M392-I395 PolarHBondContact O-N 3.18Å; M392-L396 WeakPolarHBondContact O-CB 3.43Å; M392-L396 PolarHBondContact O-N 3.14Å; M392-F433 HydrophobicContact CB-CE1 4.27Å; M392-F433 HydrophobicContact CE-CB 3.76Å; M392-F433 HydrophobicContact CE-CD1 3.04Å; M392-F433 HydrophobicContact CE-CE1 3.7Å; M392-F433 HydrophobicContact CE-CG 3.57Å; M392-F433 HydrophobicContact SD-CB 3.9Å; M392-F433 HydrophobicContact SD-CD1 3.49Å; M392-F433 WeakPolarHBondContact SD-CD1 3.4Å; M392-F433 HydrophobicContact SD-CD2 4.09Å; M392-F433 HydrophobicContact SD-CE1 3.91Å; M392-F433 HydrophobicContact SD-CE2 4.5Å; M392-F433 HydrophobicContact SD-CG 3.54Å; M392-F433 VanDerWaalsContact SD-CG 3.54Å; M392-F433 HydrophobicContact SD-CZ 4.39Å; M392-N436 HydrophobicContact CE-CB 3.87Å; M392-N436 HydrophobicContact SD-CB 4.06Å; M392-N436 PolarHBondContact SD-ND2 3.27Å; M392-L439 HydrophobicContact SD-CD1 3.81Å
393E94.1Very high95.2Very high94 Ų9450.2 Ų50.244%0.43922%0.219SC..Hα-helixtrans-64.1-36.2-174.4-47.278.9-167.400111.4R391 A397R391-E393 VanDerWaalsContact C-N 3.28Å; R391-E393 PolarHBondContact O-N 3.09Å; E393-A397 WeakPolarHBondContact O-CB 3.47Å; E393-A397 PolarHBondContact O-N 2.81Å; E393-A397 VanDerWaalsContact O-N 3.07Å
394M94.5Very high95.1Very high0 Ų046.2 Ų46.20%020%0.204CC..Hα-helixtrans-68.5-42.4176.7-72.8-66.7-169.500112.5A353 L356 Q357 L360 H388 R391 M392 G398A353-M394 VanDerWaalsContact C-CE 3.49Å; A353-M394 VanDerWaalsContact CA-CE 3.4Å; A353-M394 HydrophobicContact CB-CE 3.49Å; A353-M394 VanDerWaalsContact CB-CE 3.49Å; A353-M394 WeakPolarHBondContact O-CE 3.41Å; L356-M394 HydrophobicContact CB-CE 3.8Å; L356-M394 HydrophobicContact CB-SD 4.42Å; Q357-M394 HydrophobicContact CB-CE 3.83Å; Q357-M394 HydrophobicContact CB-SD 4.03Å; L360-M394 HydrophobicContact CD1-SD 3.97Å; H388-M394 HydrophobicContact CB-CB 3.96Å; H388-M394 HydrophobicContact CB-CG 3.87Å; R391-M394 HydrophobicContact CB-CB 4.03Å; R391-M394 HydrophobicContact CB-CG 3.9Å; R391-M394 WeakPolarHBondContact O-CB 3.2Å; R391-M394 PolarHBondContact O-N 3.21Å; M392-M394 VanDerWaalsContact C-N 3.26Å; M392-M394 PolarHBondContact O-N 3.29Å; M394-G398 PolarHBondContact O-N 3.3Å
395I97.1Very high95Very high1 Ų146.1 Ų46.11%0.00520%0.204CC..Hα-helixtrans-73-39.5-178.7-59.6-55.4000110.2M385 L389 R391 M392 G398 T399 A429 F433 L439M385-I395 HydrophobicContact CB-CD1 3.79Å; M385-I395 HydrophobicContact CE-CD1 4.15Å; M385-I395 HydrophobicContact CE-CG2 4.12Å; M385-I395 HydrophobicContact CG-CD1 4.17Å; M385-I395 WeakPolarHBondContact O-CD1 3.19Å; L389-I395 HydrophobicContact CD2-CD1 4.11Å; R391-I395 WeakPolarHBondContact O-CG1 3.48Å; R391-I395 PolarHBondContact O-N 3.05Å; M392-I395 PolarHBondContact O-N 3.18Å; I395-G398 PolarHBondContact O-N 3.01Å; I395-T399 HydrophobicContact CG2-CG2 4.31Å; I395-T399 WeakPolarHBondContact O-CG2 3.3Å; I395-T399 PolarHBondContact O-N 3.31Å; I395-T399 PolarHBondContact O-OG1 2.95Å; I395-A429 HydrophobicContact CG2-CB 3.5Å; I395-A429 VanDerWaalsContact CG2-CB 3.5Å; I395-F433 HydrophobicContact CB-CD2 4.39Å; I395-F433 HydrophobicContact CB-CE2 3.87Å; I395-F433 HydrophobicContact CG1-CE2 3.85Å; I395-F433 HydrophobicContact CG1-CZ 4.47Å; I395-F433 HydrophobicContact CG2-CD2 4.05Å; I395-F433 HydrophobicContact CG2-CE2 3.9Å; I395-L439 HydrophobicContact CB-CD1 4.44Å; I395-L439 HydrophobicContact CG2-CD1 3.88Å
396L97Very high94.8Very high51 Ų5146.2 Ų46.227%0.26720%0.204SC..Hα-helixtrans-59.3-48.4173.8178.863.5000112.3M392 T399 A400 Q438 L439 N442M392-L396 WeakPolarHBondContact O-CB 3.43Å; M392-L396 PolarHBondContact O-N 3.14Å; L396-T399 PolarHBondContact O-OG1 3.34Å; L396-A400 PolarHBondContact O-N 3.26Å; L396-Q438 HydrophobicContact CD1-CB 4.26Å; L396-Q438 HydrophobicContact CD1-CG 4.02Å; L396-L439 HydrophobicContact CD1-CB 3.92Å; L396-N442 PolarHBondContact O-ND2 2.76Å
397A95.7Very high94.4Very high23 Ų2340.3 Ų40.319%0.1918%0.182CC..Hα-helixtrans-65.6-42176.300000111.4L360 E393 T399 A400 V401L360-A397 HydrophobicContact CB-CB 3.88Å; L360-A397 HydrophobicContact CD1-CB 4.11Å; E393-A397 WeakPolarHBondContact O-CB 3.47Å; E393-A397 PolarHBondContact O-N 2.81Å; E393-A397 VanDerWaalsContact O-N 3.07Å; A397-T399 PolarHBondContact O-N 3.01Å; A397-A400 PolarHBondContact O-N 2.89Å; A397-V401 WeakPolarHBondContact O-CG2 3.47Å; A397-V401 PolarHBondContact O-N 2.87Å; A397-V401 VanDerWaalsContact O-N 3.08Å
398G97.5Very high94.2Very high0 Ų038.1 Ų38.10%018%0.181CC..Hα-helixtrans-61.4-41.917800000113.6M385 M394 I395 V401 I402M385-G398 VanDerWaalsContact SD-CA 3.56Å; M394-G398 PolarHBondContact O-N 3.3Å; I395-G398 PolarHBondContact O-N 3.01Å; G398-V401 PolarHBondContact O-N 3.43Å; G398-I402 WeakPolarHBondContact O-CG1 3.35Å; G398-I402 PolarHBondContact O-N 3.08Å
399T97.9Very high93.8Very high0 Ų045.1 Ų45.10%021%0.214CC..Hα-helixtrans-68-35.1177.555.80000112.3M385 I395 L396 A397 V401 I402 Y403 A429 N442M385-T399 HydrophobicContact CE-CG2 3.88Å; I395-T399 HydrophobicContact CG2-CG2 4.31Å; I395-T399 WeakPolarHBondContact O-CG2 3.3Å; I395-T399 PolarHBondContact O-N 3.31Å; I395-T399 PolarHBondContact O-OG1 2.95Å; L396-T399 PolarHBondContact O-OG1 3.34Å; A397-T399 PolarHBondContact O-N 3.01Å; T399-V401 VanDerWaalsContact C-N 3.34Å; T399-I402 PolarHBondContact O-N 3.31Å; T399-Y403 PolarHBondContact O-N 3.32Å; T399-A429 HydrophobicContact CG2-CB 3.81Å; T399-N442 PolarHBondContact OG1-ND2 2.89Å
400A95.8Very high93.3Very high14 Ų1446 Ų4612%0.11622%0.217CC..Hα-helixtrans-62.5-42.5172.700000111.6F364 L396 A397 Y403 N404F364-A400 HydrophobicContact CD2-CB 3.7Å; F364-A400 HydrophobicContact CE2-CB 3.95Å; F364-A400 HydrophobicContact CG-CB 4.43Å; L396-A400 PolarHBondContact O-N 3.26Å; A397-A400 PolarHBondContact O-N 2.89Å; A400-Y403 PolarHBondContact O-N 3Å; A400-N404 PolarHBondContact O-N 3.41Å
401V95.9Very high93.2Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-67.2-42.6176173.90000111.8L360 I363 F364 V381 A397 G398 T399 Y403 N404 L405L360-V401 HydrophobicContact CD2-CG2 4.36Å; L360-V401 WeakPolarHBondContact O-CG2 3.49Å; I363-V401 HydrophobicContact CB-CG1 4.48Å; I363-V401 HydrophobicContact CB-CG2 4.27Å; I363-V401 HydrophobicContact CG2-CB 4.46Å; I363-V401 HydrophobicContact CG2-CG1 3.51Å; I363-V401 HydrophobicContact CG2-CG2 4.06Å; F364-V401 HydrophobicContact CB-CG2 3.89Å; V381-V401 HydrophobicContact CB-CG1 4.37Å; V381-V401 HydrophobicContact CG1-CB 4.26Å; V381-V401 HydrophobicContact CG1-CG1 4Å; V381-V401 HydrophobicContact CG2-CG1 3.64Å; A397-V401 WeakPolarHBondContact O-CG2 3.47Å; A397-V401 PolarHBondContact O-N 2.87Å; A397-V401 VanDerWaalsContact O-N 3.08Å; G398-V401 PolarHBondContact O-N 3.43Å; T399-V401 VanDerWaalsContact C-N 3.34Å; V401-Y403 VanDerWaalsContact C-N 3.32Å; V401-Y403 PolarHBondContact O-N 3.28Å; V401-N404 PolarHBondContact O-N 3.48Å; V401-L405 HydrophobicContact CG1-CD1 3.56Å; V401-L405 HydrophobicContact CG1-CG 4.09Å; V401-L405 WeakPolarHBondContact O-CB 3.48Å; V401-L405 VanDerWaalsContact O-CG 3.29Å; V401-L405 WeakPolarHBondContact O-CG 3.4Å; V401-L405 PolarHBondContact O-N 2.92Å
402I96.3Very high92.9Very high0 Ų034.2 Ų34.20%018%0.178CC..Hα-helixtrans-54.9-51.6175.3-73.2170.8000109.7L378 L382 M385 G398 T399 N404 L405 T406 A422 M425 T446L378-I402 HydrophobicContact CD1-CG1 4.17Å; L382-I402 HydrophobicContact CD2-CD1 3.62Å; L382-I402 HydrophobicContact CD2-CG1 4.09Å; M385-I402 HydrophobicContact CE-CD1 3.86Å; M385-I402 HydrophobicContact SD-CD1 3.51Å; M385-I402 VanDerWaalsContact SD-CD1 3.51Å; M385-I402 HydrophobicContact SD-CG1 4.18Å; G398-I402 WeakPolarHBondContact O-CG1 3.35Å; G398-I402 PolarHBondContact O-N 3.08Å; T399-I402 PolarHBondContact O-N 3.31Å; I402-N404 VanDerWaalsContact C-N 3.33Å; I402-N404 PolarHBondContact O-N 3.07Å; I402-L405 CarbonylContact O-C 3.47Å; I402-L405 PolarHBondContact O-N 3.36Å; I402-T406 HydrophobicContact CG2-CG2 4.13Å; I402-T406 WeakPolarHBondContact O-CG2 3.5Å; I402-T406 PolarHBondContact O-N 3.12Å; I402-T406 PolarHBondContact O-OG1 2.88Å; I402-A422 HydrophobicContact CG2-CB 4.13Å; I402-M425 HydrophobicContact CD1-CB 4.33Å; I402-M425 HydrophobicContact CD1-CG 4.09Å; I402-T446 HydrophobicContact CG2-CG2 3.78Å
403Y94.7Very high92.7Very high53 Ų5338.5 Ų38.521%0.20820%0.198CC..Hα-helixtrans-52.7-50.4178.6167.9-116.5000111.8T399 A400 V401 L405 T406 R407 L445 T446T399-Y403 PolarHBondContact O-N 3.32Å; A400-Y403 PolarHBondContact O-N 3Å; V401-Y403 VanDerWaalsContact C-N 3.32Å; V401-Y403 PolarHBondContact O-N 3.28Å; Y403-L405 VanDerWaalsContact C-N 3.26Å; Y403-L405 PolarHBondContact O-N 2.98Å; Y403-T406 PolarHBondContact O-N 3.12Å; Y403-R407 HydrophobicContact CD2-CB 4.24Å; Y403-R407 HydrophobicContact CE2-CB 3.87Å; Y403-R407 HydrophobicContact CE2-CG 4.39Å; Y403-R407 VanDerWaalsContact O-CB 3.31Å; Y403-R407 WeakPolarHBondContact O-CB 3.21Å; Y403-R407 VanDerWaalsContact O-CG 3.3Å; Y403-R407 WeakPolarHBondContact O-CG 3.43Å; Y403-R407 PolarHBondContact O-N 3.35Å; Y403-L445 HydrophobicContact CD1-CB 4.46Å; Y403-L445 HydrophobicContact CD1-CD1 4.39Å; Y403-L445 HydrophobicContact CD2-CB 3.56Å; Y403-L445 HydrophobicContact CE1-CD1 4.2Å; Y403-L445 HydrophobicContact CE2-CB 3.61Å; Y403-L445 HydrophobicContact CE2-CD2 4.38Å; Y403-L445 HydrophobicContact CE2-CG 4.44Å; Y403-L445 HydrophobicContact CG-CB 4Å; Y403-T446 WeakPolarHBondContact CA-OG1 3.26Å; Y403-T446 WeakPolarHBondContact CB-OG1 3.49Å
404N93.1Very high92.6Very high1 Ų134.1 Ų34.11%0.00518%0.177CC..Hα-helixtrans-61.9-33.8178.6-76.5-0.8000113.1F364 T367 A400 V401 I402F364-N404 WeakPolarHBondContact CD2-ND2 3.12Å; F364-N404 WeakPolarHBondContact CE2-ND2 3.38Å; F364-N404 PolarHBondContact O-ND2 3.03Å; F364-N404 VanDerWaalsContact O-ND2 3.07Å; T367-N404 VanDerWaalsContact OG1-CB 3.31Å; T367-N404 WeakPolarHBondContact OG1-CB 3.26Å; T367-N404 PolarHBondContact OG1-ND2 2.91Å; A400-N404 PolarHBondContact O-N 3.41Å; V401-N404 PolarHBondContact O-N 3.48Å; I402-N404 VanDerWaalsContact C-N 3.33Å; I402-N404 PolarHBondContact O-N 3.07Å
405L92.8Very high92.6Very high0 Ų037.5 Ų37.50%020%0.199CC..Hα-helixtrans-83.1-19.9-178.4-68.1178.3000113.7T367 R370 K374 L378 V401 I402 Y403T367-L405 HydrophobicContact CG2-CD2 3.81Å; R370-L405 PolarHBondContact NH1-O 3.09Å; R370-L405 PolarHBondContact NH2-O 3.25Å; K374-L405 HydrophobicContact CB-CD2 4.16Å; L378-L405 HydrophobicContact CB-CB 4.49Å; L378-L405 HydrophobicContact CB-CD1 3.85Å; L378-L405 HydrophobicContact CD1-CB 4.24Å; L378-L405 HydrophobicContact CD1-CD1 4.09Å; V401-L405 HydrophobicContact CG1-CD1 3.56Å; V401-L405 HydrophobicContact CG1-CG 4.09Å; V401-L405 WeakPolarHBondContact O-CB 3.48Å; V401-L405 VanDerWaalsContact O-CG 3.29Å; V401-L405 WeakPolarHBondContact O-CG 3.4Å; V401-L405 PolarHBondContact O-N 2.92Å; I402-L405 CarbonylContact O-C 3.47Å; I402-L405 PolarHBondContact O-N 3.36Å; Y403-L405 VanDerWaalsContact C-N 3.26Å; Y403-L405 PolarHBondContact O-N 2.98Å
406T92.7Very high92.5Very high1 Ų140.6 Ų40.61%0.00622%0.215CC..Hα-helixtrans-110.5-6-177.863.30000115L378 I402 Y403 S411 L414 L419 A422L378-T406 HydrophobicContact CD2-CG2 4.13Å; I402-T406 HydrophobicContact CG2-CG2 4.13Å; I402-T406 WeakPolarHBondContact O-CG2 3.5Å; I402-T406 PolarHBondContact O-N 3.12Å; I402-T406 PolarHBondContact O-OG1 2.88Å; Y403-T406 PolarHBondContact O-N 3.12Å; T406-S411 WeakPolarHBondContact O-CB 3.43Å; T406-S411 PolarHBondContact O-OG 3.24Å; T406-L414 HydrophobicContact CG2-CD1 4.17Å; T406-L419 HydrophobicContact CG2-CD1 4.16Å; T406-A422 HydrophobicContact CG2-CB 4.17Å
407R88.3Confident92.3Very high65 Ų6543.7 Ų43.725%0.24523%0.232CC..  trans-84.4161.417672.1-174.7-177.7148.6-0.8113.4N368 Y403N368-R407 PolarHBondContact O-NH2 3.28Å; Y403-R407 HydrophobicContact CD2-CB 4.24Å; Y403-R407 HydrophobicContact CE2-CB 3.87Å; Y403-R407 HydrophobicContact CE2-CG 4.39Å; Y403-R407 VanDerWaalsContact O-CB 3.31Å; Y403-R407 WeakPolarHBondContact O-CB 3.21Å; Y403-R407 VanDerWaalsContact O-CG 3.3Å; Y403-R407 WeakPolarHBondContact O-CG 3.43Å; Y403-R407 PolarHBondContact O-N 3.35Å
408G86.1Confident92.3Very high45 Ų4543.1 Ų43.146%0.46423%0.225SC..SBendtrans78.3166.317500000114Q410 S411G408-Q410 VanDerWaalsContact C-N 3.25Å; G408-Q410 PolarHBondContact O-N 3.04Å; G408-S411 PolarHBondContact O-N 2.92Å; G408-S411 VanDerWaalsContact O-N 3.14Å; G408-S411 PolarHBondContact O-OG 3.33Å
409E85.3Confident92.2Very high170 Ų17043.1 Ų43.179%0.79423%0.225SC*.G310 helixtrans-60.5-31.2-174.6-64.9-178.7174.400113.6S411 N412E409-S411 PolarHBondContact O-N 3.04Å; E409-N412 WeakPolarHBondContact O-CB 3.49Å; E409-N412 VanDerWaalsContact O-CG 3.32Å; E409-N412 PolarHBondContact O-N 2.86Å; E409-N412 PolarHBondContact O-ND2 2.93Å
410Q84.7Confident92.2Very high66 Ų6643.7 Ų43.731%0.30823%0.228SC..G310 helixtrans-64.5-23.7-179.2-52.8116.9-19.600112.3E371 V373 G408 N412 Q413E371-Q410 PolarHBondContact O-NE2 3.25Å; E371-Q410 VanDerWaalsContact O-NE2 3.1Å; V373-Q410 HydrophobicContact CG2-CB 3.71Å; V373-Q410 WeakPolarHBondContact CG2-O 3.36Å; G408-Q410 VanDerWaalsContact C-N 3.25Å; G408-Q410 PolarHBondContact O-N 3.04Å; Q410-N412 PolarHBondContact O-N 3.29Å; Q410-N412 VanDerWaalsContact O-N 3.07Å; Q410-Q413 PolarHBondContact O-N 2.83Å
411S88Confident92.2Very high0 Ų047.3 Ų47.30%024%0.239CC..G310 helixtrans-65.3-11.5176.871.60000112.7T406 G408 E409 Q413 L414 T451 R455T406-S411 WeakPolarHBondContact O-CB 3.43Å; T406-S411 PolarHBondContact O-OG 3.24Å; G408-S411 PolarHBondContact O-N 2.92Å; G408-S411 VanDerWaalsContact O-N 3.14Å; G408-S411 PolarHBondContact O-OG 3.33Å; E409-S411 PolarHBondContact O-N 3.04Å; S411-Q413 PolarHBondContact O-N 3.43Å; S411-L414 WeakPolarHBondContact O-CB 3.4Å; S411-L414 PolarHBondContact O-N 3.4Å; S411-T451 VanDerWaalsContact OG-CB 3.26Å; S411-T451 WeakPolarHBondContact OG-CB 3.5Å; S411-T451 VanDerWaalsContact OG-CG2 3.26Å; S411-T451 WeakPolarHBondContact OG-CG2 3.27Å; S411-T451 PolarHBondContact OG-OG1 3.12Å; S411-R455 PolarHBondContact O-NH1 3.02Å
412N87.9Confident92.3Very high77 Ų7747.3 Ų47.341%0.41224%0.239SC..G310 helixtrans-59.2-24.1167.6-69.5-23.9000113.3E409 Q410 L414 T451 R455E409-N412 WeakPolarHBondContact O-CB 3.49Å; E409-N412 VanDerWaalsContact O-CG 3.32Å; E409-N412 PolarHBondContact O-N 2.86Å; E409-N412 PolarHBondContact O-ND2 2.93Å; Q410-N412 PolarHBondContact O-N 3.29Å; Q410-N412 VanDerWaalsContact O-N 3.07Å; N412-L414 VanDerWaalsContact C-N 3.35Å; N412-T451 WeakPolarHBondContact OD1-CG2 3.46Å; N412-T451 PolarHBondContact OD1-OG1 3.43Å; N412-T451 VanDerWaalsContact OD1-OG1 3.07Å; N412-R455 VanDerWaalsContact CA-NH1 3.26Å; N412-R455 PolarHBondContact O-NH1 3.01Å; N412-R455 PolarHBondContact O-NH2 3.04Å; N412-R455 WeakPolarHBondContact OD1-CD 3.38Å
413Q90.4Very high92.4Very high148 Ų14847.3 Ų47.369%0.69224%0.239SC*.G310 helixtrans-86.8-4.8177.4-51.1171.9-2.500113V373 Q410 S411V373-Q413 HydrophobicContact CG2-CB 4.14Å; Q410-Q413 PolarHBondContact O-N 2.83Å; S411-Q413 PolarHBondContact O-N 3.43Å
414L92.7Very high92.5Very high2 Ų251.3 Ų51.31%0.0125%0.254CS..SBendtrans-65.8138.8176.1-73.9172.3000110.9V373 P375 L378 T406 S411 N412 I416 L418 R455V373-L414 HydrophobicContact CG1-CD2 3.47Å; V373-L414 VanDerWaalsContact CG1-CD2 3.47Å; V373-L414 HydrophobicContact CG1-CG 3.9Å; P375-L414 HydrophobicContact CB-CD2 4.39Å; L378-L414 HydrophobicContact CD2-CD1 4.07Å; L378-L414 HydrophobicContact CD2-CD2 4.2Å; T406-L414 HydrophobicContact CG2-CD1 4.17Å; S411-L414 WeakPolarHBondContact O-CB 3.4Å; S411-L414 PolarHBondContact O-N 3.4Å; N412-L414 VanDerWaalsContact C-N 3.35Å; L414-I416 PolarHBondContact O-N 3.19Å; L414-L418 HydrophobicContact CD2-CD2 4.46Å; L414-R455 PolarHBondContact O-NH2 3.17Å
415P94.5Very high92.7Very high70 Ų7052.3 Ų52.346%0.45526%0.259SS..  trans-56133.6170.6-24.633.7000111.1D417 L418 L419P415-D417 VanDerWaalsContact C-N 3.3Å; P415-D417 PolarHBondContact O-N 2.78Å; P415-L418 HydrophobicContact CB-CB 4.21Å; P415-L418 WeakPolarHBondContact O-CB 3.4Å; P415-L418 PolarHBondContact O-N 3.23Å; P415-L419 PolarHBondContact O-N 3.31Å
416I94.2Very high93Very high67 Ų6752.3 Ų52.334%0.34426%0.259SS..Hα-helixtrans-58.6-40.8-174.3-17556.1000112.4L414 L418 L419 N420 R455L414-I416 PolarHBondContact O-N 3.19Å; I416-L418 VanDerWaalsContact C-N 3.26Å; I416-L418 PolarHBondContact O-N 2.76Å; I416-L419 HydrophobicContact CD1-CD2 4.43Å; I416-L419 PolarHBondContact O-N 3.15Å; I416-N420 WeakPolarHBondContact O-CB 2.93Å; I416-N420 PolarHBondContact O-N 3.02Å; I416-N420 PolarHBondContact O-ND2 2.74Å; I416-N420 PolarHBondContact O-OD1 2.97Å; I416-R455 WeakPolarHBondContact CD1-O 3.41Å
417D94.5Very high93.2Very high116 Ų11652.4 Ų52.462%0.6226%0.259SS*.Hα-helixtrans-62.6-35.1177.4-72-39.3000112.7P415 R421P415-D417 VanDerWaalsContact C-N 3.3Å; P415-D417 PolarHBondContact O-N 2.78Å; D417-R421 WeakPolarHBondContact O-CB 3.31Å; D417-R421 WeakPolarHBondContact O-CD 3.38Å; D417-R421 WeakPolarHBondContact O-CG 3.04Å; D417-R421 PolarHBondContact O-N 3.25Å
418L95.6Very high93.7Very high10 Ų1051.9 Ų51.95%0.05226%0.263CS..Hα-helixtrans-72.9-41.7178.3-174.861.4000111P375 L378 Q379 L382 L414 P415 I416 R421 A422P375-L418 HydrophobicContact CB-CD2 3.83Å; P375-L418 WeakPolarHBondContact O-CD2 3.33Å; L378-L418 HydrophobicContact CB-CD2 4.17Å; L378-L418 HydrophobicContact CD2-CD1 4.48Å; L378-L418 HydrophobicContact CD2-CD2 3.94Å; L378-L418 HydrophobicContact CD2-CG 3.82Å; L378-L418 HydrophobicContact CG-CD1 4.23Å; L378-L418 HydrophobicContact CG-CD2 4.18Å; L378-L418 HydrophobicContact CG-CG 4.08Å; Q379-L418 HydrophobicContact CB-CD1 3.98Å; L382-L418 HydrophobicContact CD1-CD1 3.74Å; L414-L418 HydrophobicContact CD2-CD2 4.46Å; P415-L418 HydrophobicContact CB-CB 4.21Å; P415-L418 WeakPolarHBondContact O-CB 3.4Å; P415-L418 PolarHBondContact O-N 3.23Å; I416-L418 VanDerWaalsContact C-N 3.26Å; I416-L418 PolarHBondContact O-N 2.76Å; L418-R421 PolarHBondContact O-N 3.46Å; L418-A422 PolarHBondContact O-N 3.47Å
419L95.6Very high94.2Very high0 Ų049.9 Ų49.90%024%0.242CC..Hα-helixtrans-59.5-47.5172.6-175.264.5000110.8T406 P415 I416 R421 A422 V423 T451 V452 R455 A456T406-L419 HydrophobicContact CG2-CD1 4.16Å; P415-L419 PolarHBondContact O-N 3.31Å; I416-L419 HydrophobicContact CD1-CD2 4.43Å; I416-L419 PolarHBondContact O-N 3.15Å; L419-R421 VanDerWaalsContact C-N 3.27Å; L419-R421 PolarHBondContact O-N 3.16Å; L419-A422 WeakPolarHBondContact O-CA 3.33Å; L419-A422 WeakPolarHBondContact O-CB 3.47Å; L419-A422 PolarHBondContact O-N 3.38Å; L419-V423 WeakPolarHBondContact O-CG2 3.46Å; L419-V423 PolarHBondContact O-N 3.19Å; L419-T451 HydrophobicContact CD2-CG2 3.98Å; L419-V452 HydrophobicContact CD1-CG2 3.95Å; L419-R455 HydrophobicContact CD2-CB 4.18Å; L419-A456 HydrophobicContact CD2-CB 3.91Å; L419-A456 HydrophobicContact CG-CB 3.94Å
420N96.2Very high94.9Very high12 Ų1241.9 Ų41.96%0.06421%0.205CC..Hα-helixtrans-60.1-35.7176.5-67.9-16.1000112.8I416 R424 A456 T457I416-N420 WeakPolarHBondContact O-CB 2.93Å; I416-N420 PolarHBondContact O-N 3.02Å; I416-N420 PolarHBondContact O-ND2 2.74Å; I416-N420 PolarHBondContact O-OD1 2.97Å; N420-R424 WeakPolarHBondContact O-CB 3.37Å; N420-R424 WeakPolarHBondContact O-CG 3.24Å; N420-R424 PolarHBondContact O-N 2.99Å; N420-R424 VanDerWaalsContact O-N 3.08Å; N420-R424 PolarHBondContact O-NE 3.38Å; N420-A456 WeakPolarHBondContact OD1-CA 3.48Å; N420-T457 PolarHBondContact ND2-OG1 3.48Å; N420-T457 PolarHBondContact OD1-N 2.7Å; N420-T457 PolarHBondContact OD1-O 3.15Å; N420-T457 PolarHBondContact OD1-OG1 3.31Å
421R97Very high95.4Very high90 Ų9044.4 Ų44.434%0.3422%0.217SC..Hα-helixtrans-70.8-37.3174.2-74.616759.8-169.2-5.8111.9L382 D417 L418 L419 M425L382-R421 HydrophobicContact CD1-CB 3.96Å; D417-R421 WeakPolarHBondContact O-CB 3.31Å; D417-R421 WeakPolarHBondContact O-CD 3.38Å; D417-R421 WeakPolarHBondContact O-CG 3.04Å; D417-R421 PolarHBondContact O-N 3.25Å; L418-R421 PolarHBondContact O-N 3.46Å; L419-R421 VanDerWaalsContact C-N 3.27Å; L419-R421 PolarHBondContact O-N 3.16Å; R421-M425 WeakPolarHBondContact O-CB 3.48Å; R421-M425 PolarHBondContact O-N 3.03Å
422A97.5Very high95.8Very high0 Ų048.6 Ų48.60%024%0.235CC..Hα-helixtrans-63-48.9175.200000110.8L378 L382 I402 T406 L418 L419 R424 M425 T426L378-A422 HydrophobicContact CD1-CB 4.38Å; L378-A422 HydrophobicContact CD2-CB 4.48Å; L382-A422 HydrophobicContact CD1-CB 4.25Å; L382-A422 HydrophobicContact CD2-CB 4.29Å; I402-A422 HydrophobicContact CG2-CB 4.13Å; T406-A422 HydrophobicContact CG2-CB 4.17Å; L418-A422 PolarHBondContact O-N 3.47Å; L419-A422 WeakPolarHBondContact O-CA 3.33Å; L419-A422 WeakPolarHBondContact O-CB 3.47Å; L419-A422 PolarHBondContact O-N 3.38Å; A422-R424 PolarHBondContact O-N 3.47Å; A422-M425 WeakPolarHBondContact O-CB 3.34Å; A422-M425 PolarHBondContact O-N 3.31Å; A422-M425 VanDerWaalsContact O-N 3.15Å; A422-T426 PolarHBondContact O-N 3.48Å; A422-T426 PolarHBondContact O-OG1 3.04Å; A422-T426 VanDerWaalsContact O-OG1 3.05Å
423V97.6Very high96.3Very high0 Ų046.2 Ų46.20%022%0.221CC..Hα-helixtrans-60.5-46.6177.51790000111.6L419 M425 T426 L427 L447 V452 A456 F458L419-V423 WeakPolarHBondContact O-CG2 3.46Å; L419-V423 PolarHBondContact O-N 3.19Å; V423-M425 VanDerWaalsContact C-N 3.29Å; V423-M425 PolarHBondContact O-N 3.04Å; V423-T426 WeakPolarHBondContact O-CA 3.48Å; V423-T426 WeakPolarHBondContact O-CB 3.24Å; V423-T426 PolarHBondContact O-N 3.2Å; V423-T426 VanDerWaalsContact O-N 3.08Å; V423-L427 HydrophobicContact CG1-CD1 4.32Å; V423-L427 HydrophobicContact CG1-CG 4.42Å; V423-L427 WeakPolarHBondContact O-CG 3.33Å; V423-L427 PolarHBondContact O-N 3.42Å; V423-L447 HydrophobicContact CG1-CD2 3.95Å; V423-V452 HydrophobicContact CG2-CB 4.39Å; V423-V452 HydrophobicContact CG2-CG1 3.6Å; V423-V452 HydrophobicContact CG2-CG2 3.97Å; V423-A456 HydrophobicContact CG2-CB 3.88Å; V423-F458 HydrophobicContact CB-CD1 4.41Å; V423-F458 HydrophobicContact CG1-CB 3.88Å; V423-F458 HydrophobicContact CG1-CD1 3.64Å; V423-F458 HydrophobicContact CG1-CD2 3.94Å; V423-F458 HydrophobicContact CG1-CE1 4.11Å; V423-F458 HydrophobicContact CG1-CE2 4.38Å; V423-F458 HydrophobicContact CG1-CG 3.54Å; V423-F458 HydrophobicContact CG1-CZ 4.45Å
424R97.5Very high96.6Very high138 Ų13842 Ų4252%0.52121%0.207SC..Hα-helixtrans-59.5-38.2175.7-77.3-178-70.2157-13.4113.2N420 A422 T428N420-R424 WeakPolarHBondContact O-CB 3.37Å; N420-R424 WeakPolarHBondContact O-CG 3.24Å; N420-R424 PolarHBondContact O-N 2.99Å; N420-R424 VanDerWaalsContact O-N 3.08Å; N420-R424 PolarHBondContact O-NE 3.38Å; A422-R424 PolarHBondContact O-N 3.47Å; R424-T428 WeakPolarHBondContact O-CB 3.48Å; R424-T428 PolarHBondContact O-N 3.07Å; R424-T428 PolarHBondContact O-OG1 3.3Å
425M97.8Very high96.7Very high22 Ų2248.5 Ų48.511%0.10824%0.241CC..Hα-helixtrans-66.7-40.3175.1-176.657.963.800111.3L382 M385 R386 L389 I402 R421 A422 V423 T428 A429L382-M425 HydrophobicContact CD2-CB 3.71Å; L382-M425 HydrophobicContact CD2-CG 3.93Å; M385-M425 HydrophobicContact CB-CE 4.24Å; M385-M425 HydrophobicContact CB-CG 4.22Å; M385-M425 HydrophobicContact CB-SD 3.91Å; M385-M425 HydrophobicContact CE-CG 3.59Å; M385-M425 HydrophobicContact CE-SD 4.17Å; M385-M425 HydrophobicContact SD-CG 3.86Å; R386-M425 HydrophobicContact CB-CE 3.94Å; L389-M425 HydrophobicContact CD2-CE 4.3Å; L389-M425 HydrophobicContact CD2-SD 3.81Å; I402-M425 HydrophobicContact CD1-CB 4.33Å; I402-M425 HydrophobicContact CD1-CG 4.09Å; R421-M425 WeakPolarHBondContact O-CB 3.48Å; R421-M425 PolarHBondContact O-N 3.03Å; A422-M425 WeakPolarHBondContact O-CB 3.34Å; A422-M425 PolarHBondContact O-N 3.31Å; A422-M425 VanDerWaalsContact O-N 3.15Å; V423-M425 VanDerWaalsContact C-N 3.29Å; V423-M425 PolarHBondContact O-N 3.04Å; M425-T428 PolarHBondContact O-N 2.74Å; M425-A429 WeakPolarHBondContact O-CB 3.37Å; M425-A429 PolarHBondContact O-N 3.14Å
426T98.2Very high96.8Very high0 Ų046.9 Ų46.90%023%0.229CC..Hα-helixtrans-59.7-47.9174.2-58.70000111.5A422 V423 T428 A429 M430 C443 T446 L447A422-T426 PolarHBondContact O-N 3.48Å; A422-T426 PolarHBondContact O-OG1 3.04Å; A422-T426 VanDerWaalsContact O-OG1 3.05Å; V423-T426 WeakPolarHBondContact O-CA 3.48Å; V423-T426 WeakPolarHBondContact O-CB 3.24Å; V423-T426 PolarHBondContact O-N 3.2Å; V423-T426 VanDerWaalsContact O-N 3.08Å; T426-T428 PolarHBondContact O-N 3.49Å; T426-A429 WeakPolarHBondContact O-CB 3.48Å; T426-A429 PolarHBondContact O-N 3.07Å; T426-M430 WeakPolarHBondContact O-CG 3.48Å; T426-M430 PolarHBondContact O-N 3.07Å; T426-C443 HydrophobicContact CG2-CB 3.56Å; T426-T446 HydrophobicContact CG2-CG2 4.36Å; T426-L447 HydrophobicContact CG2-CD1 4.43Å; T426-L447 HydrophobicContact CG2-CD2 4.26Å; T426-L447 HydrophobicContact CG2-CG 4.04Å
427L98.3Very high96.9Very high2 Ų250 Ų501%0.0124%0.236CC..Hα-helixtrans-62.2-43.4176.1-62.6177.1000111.7V423 A429 M430 E431 L447 F458 C463 L466V423-L427 HydrophobicContact CG1-CD1 4.32Å; V423-L427 HydrophobicContact CG1-CG 4.42Å; V423-L427 WeakPolarHBondContact O-CG 3.33Å; V423-L427 PolarHBondContact O-N 3.42Å; L427-A429 VanDerWaalsContact C-N 3.28Å; L427-A429 PolarHBondContact O-N 3.02Å; L427-M430 HydrophobicContact CD2-SD 4.43Å; L427-M430 WeakPolarHBondContact O-CB 3.19Å; L427-M430 PolarHBondContact O-N 2.84Å; L427-E431 PolarHBondContact O-N 3.2Å; L427-L447 HydrophobicContact CD2-CD1 4.03Å; L427-L447 HydrophobicContact CD2-CD2 4.1Å; L427-F458 HydrophobicContact CD1-CD2 4.16Å; L427-C463 HydrophobicContact CD1-CB 4.49Å; L427-C463 HydrophobicContact CD2-CB 3.93Å; L427-L466 HydrophobicContact CB-CD1 4.04Å; L427-L466 HydrophobicContact CD2-CD1 3.98Å
428T97.8Very high97Very high55 Ų5549.4 Ų49.434%0.33723%0.23SC..Hα-helixtrans-59.6-39175.1-56.70000111.7L389 R424 M425 T426 K432L389-T428 HydrophobicContact CD2-CG2 4.23Å; R424-T428 WeakPolarHBondContact O-CB 3.48Å; R424-T428 PolarHBondContact O-N 3.07Å; R424-T428 PolarHBondContact O-OG1 3.3Å; M425-T428 PolarHBondContact O-N 2.74Å; T426-T428 PolarHBondContact O-N 3.49Å; T428-K432 VanDerWaalsContact O-CB 3.27Å; T428-K432 WeakPolarHBondContact O-CB 3.4Å; T428-K432 PolarHBondContact O-N 3.31Å; T428-K432 VanDerWaalsContact O-N 3.1Å
429A98.1Very high97.1Very high2 Ų249 Ų492%0.01723%0.227CC..Hα-helixtrans-66.7-41.8177.200000111.5I395 T399 M425 T426 L427 K432 F433 L439I395-A429 HydrophobicContact CG2-CB 3.5Å; I395-A429 VanDerWaalsContact CG2-CB 3.5Å; T399-A429 HydrophobicContact CG2-CB 3.81Å; M425-A429 WeakPolarHBondContact O-CB 3.37Å; M425-A429 PolarHBondContact O-N 3.14Å; T426-A429 WeakPolarHBondContact O-CB 3.48Å; T426-A429 PolarHBondContact O-N 3.07Å; L427-A429 VanDerWaalsContact C-N 3.28Å; L427-A429 PolarHBondContact O-N 3.02Å; A429-K432 PolarHBondContact O-N 3.23Å; A429-F433 PolarHBondContact O-N 2.85Å; A429-F433 VanDerWaalsContact O-N 3.12Å; A429-L439 HydrophobicContact CB-CD2 4.24Å
430M98.1Very high97.2Very high2 Ų249.1 Ų49.11%0.0123%0.228CC..Hα-helixtrans-61.6-47176.7-69177.373.600112.1T426 L427 K432 F433 Q440 C443 F444 L447 L466T426-M430 WeakPolarHBondContact O-CG 3.48Å; T426-M430 PolarHBondContact O-N 3.07Å; L427-M430 HydrophobicContact CD2-SD 4.43Å; L427-M430 WeakPolarHBondContact O-CB 3.19Å; L427-M430 PolarHBondContact O-N 2.84Å; M430-K432 VanDerWaalsContact C-N 3.34Å; M430-K432 PolarHBondContact O-N 3.19Å; M430-F433 CarbonylContact O-C 3.55Å; M430-Q440 PolarHBondContact O-NE2 3.39Å; M430-C443 HydrophobicContact CG-CB 3.39Å; M430-C443 HydrophobicContact SD-CB 3.69Å; M430-F444 HydrophobicContact CE-CD2 3.98Å; M430-F444 HydrophobicContact CE-CE2 3.57Å; M430-L447 HydrophobicContact CE-CD1 4.34Å; M430-L447 HydrophobicContact SD-CD1 3.45Å; M430-L447 WeakPolarHBondContact SD-CD1 3.35Å; M430-L466 HydrophobicContact CB-CD1 4.26Å; M430-L466 HydrophobicContact CB-CD2 4.48Å; M430-L466 HydrophobicContact CE-CB 3.98Å
431E97.1Very high97.2Very high119 Ų11951 Ų5156%0.55624%0.236SC*.Hα-helixtrans-63.8-39.2-179.4-174.3-180175.400112.1L427 L466L427-E431 PolarHBondContact O-N 3.2Å; E431-L466 HydrophobicContact CB-CD2 3.93Å; E431-L466 HydrophobicContact CG-CD2 4.44Å
432K96.5Very high97.2Very high89 Ų8947.5 Ų47.539%0.38722%0.224SC..Hα-helixtrans-79.2-27-175.6-169163.1-170.1165.70114.1L389 T428 A429 M430L389-K432 WeakPolarHBondContact O-CD 3.21Å; L389-K432 WeakPolarHBondContact O-CE 3.41Å; L389-K432 PolarHBondContact O-NZ 3.35Å; T428-K432 VanDerWaalsContact O-CB 3.27Å; T428-K432 WeakPolarHBondContact O-CB 3.4Å; T428-K432 PolarHBondContact O-N 3.31Å; T428-K432 VanDerWaalsContact O-N 3.1Å; A429-K432 PolarHBondContact O-N 3.23Å; M430-K432 VanDerWaalsContact C-N 3.34Å; M430-K432 PolarHBondContact O-N 3.19Å
433F96.9Very high97.3Very high26 Ų2647.5 Ų47.511%0.11422%0.224CC..  trans-130.558-174.8-57.5-65.6000111.3M392 I395 A429 M430 D435 N436 L439 Q440M392-F433 HydrophobicContact CB-CE1 4.27Å; M392-F433 HydrophobicContact CE-CB 3.76Å; M392-F433 HydrophobicContact CE-CD1 3.04Å; M392-F433 HydrophobicContact CE-CE1 3.7Å; M392-F433 HydrophobicContact CE-CG 3.57Å; M392-F433 HydrophobicContact SD-CB 3.9Å; M392-F433 HydrophobicContact SD-CD1 3.49Å; M392-F433 WeakPolarHBondContact SD-CD1 3.4Å; M392-F433 HydrophobicContact SD-CD2 4.09Å; M392-F433 HydrophobicContact SD-CE1 3.91Å; M392-F433 HydrophobicContact SD-CE2 4.5Å; M392-F433 HydrophobicContact SD-CG 3.54Å; M392-F433 VanDerWaalsContact SD-CG 3.54Å; M392-F433 HydrophobicContact SD-CZ 4.39Å; I395-F433 HydrophobicContact CB-CD2 4.39Å; I395-F433 HydrophobicContact CB-CE2 3.87Å; I395-F433 HydrophobicContact CG1-CE2 3.85Å; I395-F433 HydrophobicContact CG1-CZ 4.47Å; I395-F433 HydrophobicContact CG2-CD2 4.05Å; I395-F433 HydrophobicContact CG2-CE2 3.9Å; A429-F433 PolarHBondContact O-N 2.85Å; A429-F433 VanDerWaalsContact O-N 3.12Å; M430-F433 CarbonylContact O-C 3.55Å; F433-D435 VanDerWaalsContact C-N 3.27Å; F433-D435 PolarHBondContact O-N 3.23Å; F433-N436 HydrophobicContact CB-CB 4.37Å; F433-N436 PolarHBondContact O-N 3.3Å; F433-L439 HydrophobicContact CB-CD1 3.8Å; F433-L439 HydrophobicContact CB-CD2 4.21Å; F433-L439 HydrophobicContact CD2-CD1 3.72Å; F433-L439 HydrophobicContact CG-CD1 4.02Å; F433-Q440 PolarHBondContact O-NE2 3.14Å
434P96.3Very high97.3Very high61 Ų6147.5 Ų47.540%0.39622%0.224SC..THydrogen-bonded Turntrans-60.7-36.3-174.325.6-34.3000112.2N436 F474P434-N436 VanDerWaalsContact C-N 3.34Å; P434-N436 PolarHBondContact O-N 2.93Å; P434-F474 VanDerWaalsContact O-CE2 3.28Å; P434-F474 WeakPolarHBondContact O-CE2 3.48Å; P434-F474 WeakPolarHBondContact O-CZ 3.23Å
435D95.9Very high97.3Very high137 Ų13743.9 Ų43.973%0.73321%0.214SC*.THydrogen-bonded Turntrans-80-11.6-174.9-51.5-52.7000114.1F433 R437F433-D435 VanDerWaalsContact C-N 3.27Å; F433-D435 PolarHBondContact O-N 3.23Å; D435-R437 PolarHBondContact O-N 3.3Å; D435-R437 VanDerWaalsContact O-N 3.13Å
436N96.5Very high97.2Very high37 Ų3742.9 Ų42.920%0.19821%0.209CC..  trans-84.593.9-177.2-172.7-35.9000111.6M392 F433 P434 Q438 L439 Q440M392-N436 HydrophobicContact CE-CB 3.87Å; M392-N436 HydrophobicContact SD-CB 4.06Å; M392-N436 PolarHBondContact SD-ND2 3.27Å; F433-N436 HydrophobicContact CB-CB 4.37Å; F433-N436 PolarHBondContact O-N 3.3Å; P434-N436 VanDerWaalsContact C-N 3.34Å; P434-N436 PolarHBondContact O-N 2.93Å; N436-Q438 VanDerWaalsContact C-N 3.33Å; N436-Q438 PolarHBondContact O-N 2.94Å; N436-Q438 PolarHBondContact OD1-N 3.28Å; N436-L439 HydrophobicContact CB-CB 3.89Å; N436-L439 PolarHBondContact O-N 3.41Å; N436-L439 VanDerWaalsContact O-N 3.17Å; N436-L439 PolarHBondContact OD1-N 3.28Å; N436-Q440 VanDerWaalsContact O-CG 3.23Å; N436-Q440 WeakPolarHBondContact O-CG 3.34Å; N436-Q440 PolarHBondContact O-N 2.9Å
437R96Very high97.2Very high133 Ų13342.9 Ų42.950%0.50221%0.21SC..Hα-helixtrans-50.1-45.7-179.1-169.7-178.6-62.8-169.40.3114.1D435 Q440 K441 F474 M479D435-R437 PolarHBondContact O-N 3.3Å; D435-R437 VanDerWaalsContact O-N 3.13Å; R437-Q440 PolarHBondContact O-N 2.81Å; R437-K441 WeakPolarHBondContact O-CG 3.42Å; R437-K441 PolarHBondContact O-N 2.9Å; R437-F474 HydrophobicContact CB-CD1 4.22Å; R437-F474 HydrophobicContact CB-CE1 3.79Å; R437-F474 HydrophobicContact CB-CZ 4.28Å; R437-F474 HydrophobicContact CG-CD1 4.08Å; R437-F474 HydrophobicContact CG-CE1 4.18Å; R437-M479 HydrophobicContact CG-SD 4.31Å
438Q96.6Very high97Very high103 Ų10344.5 Ų44.548%0.48122%0.22SC..Hα-helixtrans-70.2-40.2-176.7-174.458.639.200111.8L396 N436 Q440 K441 N442L396-Q438 HydrophobicContact CD1-CB 4.26Å; L396-Q438 HydrophobicContact CD1-CG 4.02Å; N436-Q438 VanDerWaalsContact C-N 3.33Å; N436-Q438 PolarHBondContact O-N 2.94Å; N436-Q438 PolarHBondContact OD1-N 3.28Å; Q438-Q440 VanDerWaalsContact C-N 3.31Å; Q438-Q440 PolarHBondContact O-N 2.77Å; Q438-K441 PolarHBondContact O-N 2.95Å; Q438-N442 PolarHBondContact NE2-OD1 2.95Å; Q438-N442 PolarHBondContact O-N 3.45Å; Q438-N442 VanDerWaalsContact O-N 3.12Å; Q438-N442 PolarHBondContact O-OD1 3.35Å
439L97.4Very high96.8Very high0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-60.3-45.4174.1-178.6153.1000110.5M392 I395 L396 A429 F433 N436 K441 N442 C443M392-L439 HydrophobicContact SD-CD1 3.81Å; I395-L439 HydrophobicContact CB-CD1 4.44Å; I395-L439 HydrophobicContact CG2-CD1 3.88Å; L396-L439 HydrophobicContact CD1-CB 3.92Å; A429-L439 HydrophobicContact CB-CD2 4.24Å; F433-L439 HydrophobicContact CB-CD1 3.8Å; F433-L439 HydrophobicContact CB-CD2 4.21Å; F433-L439 HydrophobicContact CD2-CD1 3.72Å; F433-L439 HydrophobicContact CG-CD1 4.02Å; N436-L439 HydrophobicContact CB-CB 3.89Å; N436-L439 PolarHBondContact O-N 3.41Å; N436-L439 VanDerWaalsContact O-N 3.17Å; N436-L439 PolarHBondContact OD1-N 3.28Å; L439-K441 VanDerWaalsContact C-N 3.33Å; L439-K441 PolarHBondContact O-N 3.05Å; L439-N442 WeakPolarHBondContact O-CB 3.41Å; L439-N442 PolarHBondContact O-N 3.08Å; L439-C443 PolarHBondContact O-N 2.83Å; L439-C443 PolarHBondContact O-SG 2.89Å
440Q97.8Very high96.5Very high4 Ų447.9 Ų47.92%0.01924%0.238CC..Hα-helixtrans-61-41.3178.2-64.4-66.3-35.200111.8M430 F433 N436 R437 Q438 N442 C443 F444 N470 F474 M479M430-Q440 PolarHBondContact O-NE2 3.39Å; F433-Q440 PolarHBondContact O-NE2 3.14Å; N436-Q440 VanDerWaalsContact O-CG 3.23Å; N436-Q440 WeakPolarHBondContact O-CG 3.34Å; N436-Q440 PolarHBondContact O-N 2.9Å; R437-Q440 PolarHBondContact O-N 2.81Å; Q438-Q440 VanDerWaalsContact C-N 3.31Å; Q438-Q440 PolarHBondContact O-N 2.77Å; Q440-N442 PolarHBondContact O-N 2.9Å; Q440-C443 WeakPolarHBondContact O-CB 3.02Å; Q440-C443 PolarHBondContact O-N 2.64Å; Q440-C443 VanDerWaalsContact O-N 3.17Å; Q440-F444 VanDerWaalsContact O-CD2 3.27Å; Q440-F444 WeakPolarHBondContact O-CD2 3.2Å; Q440-F444 PolarHBondContact O-N 3.09Å; Q440-N470 WeakPolarHBondContact CB-ND2 3.49Å; Q440-N470 VanDerWaalsContact CG-ND2 3.27Å; Q440-N470 WeakPolarHBondContact CG-ND2 3.22Å; Q440-N470 PolarHBondContact OE1-ND2 3.08Å; Q440-N470 VanDerWaalsContact OE1-ND2 3.09Å; Q440-F474 HydrophobicContact CG-CE2 4.06Å; Q440-M479 HydrophobicContact CB-CE 3.66Å
441K97.5Very high96.2Very high52 Ų5248.2 Ų48.223%0.22624%0.24CC..Hα-helixtrans-57.5-46.1173.5-75.5-178.8175.9-168.50112.4R437 Q438 L439 C443 F444 L445 D476 M479R437-K441 WeakPolarHBondContact O-CG 3.42Å; R437-K441 PolarHBondContact O-N 2.9Å; Q438-K441 PolarHBondContact O-N 2.95Å; L439-K441 VanDerWaalsContact C-N 3.33Å; L439-K441 PolarHBondContact O-N 3.05Å; K441-C443 VanDerWaalsContact C-N 3.29Å; K441-C443 PolarHBondContact O-N 3.01Å; K441-F444 PolarHBondContact O-N 3.31Å; K441-L445 WeakPolarHBondContact O-CG 3.35Å; K441-L445 PolarHBondContact O-N 3.08Å; K441-D476 WeakPolarHBondContact CE-OD2 3.47Å; K441-D476 IonicContact NZ-OD1 3.98Å; K441-D476 IonicContact NZ-OD2 3.18Å; K441-D476 PolarHBondContact NZ-OD2 3.15Å; K441-M479 HydrophobicContact CG-CE 4.42Å; K441-M479 HydrophobicContact CG-CG 3.93Å; K441-M479 HydrophobicContact CG-SD 3.78Å
442N97.1Very high96Very high16 Ų1642.6 Ų42.69%0.08621%0.213CC..Hα-helixtrans-60.8-40.1176.6-64.7-4.6000111.6L396 T399 Q438 L439 Q440 L445 T446L396-N442 PolarHBondContact O-ND2 2.76Å; T399-N442 PolarHBondContact OG1-ND2 2.89Å; Q438-N442 PolarHBondContact NE2-OD1 2.95Å; Q438-N442 PolarHBondContact O-N 3.45Å; Q438-N442 VanDerWaalsContact O-N 3.12Å; Q438-N442 PolarHBondContact O-OD1 3.35Å; L439-N442 WeakPolarHBondContact O-CB 3.41Å; L439-N442 PolarHBondContact O-N 3.08Å; Q440-N442 PolarHBondContact O-N 2.9Å; N442-L445 PolarHBondContact O-N 3.35Å; N442-T446 PolarHBondContact O-N 2.91Å; N442-T446 PolarHBondContact O-OG1 3.31Å; N442-T446 VanDerWaalsContact O-OG1 3.07Å
443C98.4Very high95.8Very high0 Ų039.1 Ų39.10%020%0.199CC..Hα-helixtrans-65.7-45.3177.7-65.40000112T426 M430 L439 Q440 K441 L445 T446 L447T426-C443 HydrophobicContact CG2-CB 3.56Å; M430-C443 HydrophobicContact CG-CB 3.39Å; M430-C443 HydrophobicContact SD-CB 3.69Å; L439-C443 PolarHBondContact O-N 2.83Å; L439-C443 PolarHBondContact O-SG 2.89Å; Q440-C443 WeakPolarHBondContact O-CB 3.02Å; Q440-C443 PolarHBondContact O-N 2.64Å; Q440-C443 VanDerWaalsContact O-N 3.17Å; K441-C443 VanDerWaalsContact C-N 3.29Å; K441-C443 PolarHBondContact O-N 3.01Å; C443-L445 VanDerWaalsContact C-N 3.34Å; C443-L445 PolarHBondContact O-N 3.11Å; C443-T446 WeakPolarHBondContact O-CB 3.48Å; C443-T446 PolarHBondContact O-N 3.38Å; C443-T446 VanDerWaalsContact O-N 3.13Å; C443-L447 WeakPolarHBondContact O-CG 3.23Å; C443-L447 PolarHBondContact O-N 3.13Å
444F98.1Very high95.5Very high0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-60.2-42.5175.9-88.4-121.9000112.1M430 Q440 K441 T446 L447 C448 V467 N470 L471 M479 M482 I486M430-F444 HydrophobicContact CE-CD2 3.98Å; M430-F444 HydrophobicContact CE-CE2 3.57Å; Q440-F444 VanDerWaalsContact O-CD2 3.27Å; Q440-F444 WeakPolarHBondContact O-CD2 3.2Å; Q440-F444 PolarHBondContact O-N 3.09Å; K441-F444 PolarHBondContact O-N 3.31Å; F444-T446 PolarHBondContact O-N 3.22Å; F444-L447 PolarHBondContact O-N 3.17Å; F444-C448 WeakPolarHBondContact O-CB 3.45Å; F444-C448 PolarHBondContact O-N 3.43Å; F444-V467 HydrophobicContact CE1-CG1 3.98Å; F444-V467 HydrophobicContact CZ-CB 4.27Å; F444-V467 HydrophobicContact CZ-CG1 3.86Å; F444-V467 HydrophobicContact CZ-CG2 4.23Å; F444-N470 HydrophobicContact CE2-CB 3.74Å; F444-N470 VanDerWaalsContact CE2-CG 3.41Å; F444-N470 WeakPolarHBondContact CE2-OD1 3.31Å; F444-N470 HydrophobicContact CZ-CB 3.73Å; F444-N470 VanDerWaalsContact CZ-OD1 3.23Å; F444-N470 WeakPolarHBondContact CZ-OD1 3.18Å; F444-L471 HydrophobicContact CE1-CD2 4.39Å; F444-M479 HydrophobicContact CE1-CB 4.42Å; F444-M479 WeakPolarHBondContact CE1-O 3.23Å; F444-M482 HydrophobicContact CB-CB 4.36Å; F444-M482 HydrophobicContact CB-CE 3.75Å; F444-M482 HydrophobicContact CB-SD 4.07Å; F444-M482 HydrophobicContact CD1-CB 3.82Å; F444-I486 HydrophobicContact CD1-CD1 4.32Å
445L96.3Very high95.4Very high61 Ų6146.7 Ų46.732%0.31922%0.22SC..Hα-helixtrans-59.2-36175.7-75.4170.5000112.5Y403 K441 N442 C443 M482Y403-L445 HydrophobicContact CD1-CB 4.46Å; Y403-L445 HydrophobicContact CD1-CD1 4.39Å; Y403-L445 HydrophobicContact CD2-CB 3.56Å; Y403-L445 HydrophobicContact CE1-CD1 4.2Å; Y403-L445 HydrophobicContact CE2-CB 3.61Å; Y403-L445 HydrophobicContact CE2-CD2 4.38Å; Y403-L445 HydrophobicContact CE2-CG 4.44Å; Y403-L445 HydrophobicContact CG-CB 4Å; K441-L445 WeakPolarHBondContact O-CG 3.35Å; K441-L445 PolarHBondContact O-N 3.08Å; N442-L445 PolarHBondContact O-N 3.35Å; C443-L445 VanDerWaalsContact C-N 3.34Å; C443-L445 PolarHBondContact O-N 3.11Å; L445-M482 HydrophobicContact CD2-CE 4.48Å; L445-M482 HydrophobicContact CD2-SD 3.79Å; L445-M482 HydrophobicContact CG-SD 4.16Å
446T96.7Very high95.2Very high1 Ų140.8 Ų40.81%0.00619%0.19CC..Hα-helixtrans-71.2-50.5175.3-57.10000111.2I402 Y403 T426 N442 C443 F444 C448 S449I402-T446 HydrophobicContact CG2-CG2 3.78Å; Y403-T446 WeakPolarHBondContact CA-OG1 3.26Å; Y403-T446 WeakPolarHBondContact CB-OG1 3.49Å; T426-T446 HydrophobicContact CG2-CG2 4.36Å; N442-T446 PolarHBondContact O-N 2.91Å; N442-T446 PolarHBondContact O-OG1 3.31Å; N442-T446 VanDerWaalsContact O-OG1 3.07Å; C443-T446 WeakPolarHBondContact O-CB 3.48Å; C443-T446 PolarHBondContact O-N 3.38Å; C443-T446 VanDerWaalsContact O-N 3.13Å; F444-T446 PolarHBondContact O-N 3.22Å; T446-C448 VanDerWaalsContact C-N 3.31Å; T446-C448 PolarHBondContact O-N 3.41Å; T446-S449 PolarHBondContact O-N 3.44Å; T446-S449 PolarHBondContact O-OG 3.41Å
447L97.5Very high95.1Very high1 Ų142.4 Ų42.41%0.00520%0.202CC..Hα-helixtrans-68.2-28.9-175.2-67.6175.1000113.1V423 T426 L427 M430 C443 F444 S449 V452 L453 I486V423-L447 HydrophobicContact CG1-CD2 3.95Å; T426-L447 HydrophobicContact CG2-CD1 4.43Å; T426-L447 HydrophobicContact CG2-CD2 4.26Å; T426-L447 HydrophobicContact CG2-CG 4.04Å; L427-L447 HydrophobicContact CD2-CD1 4.03Å; L427-L447 HydrophobicContact CD2-CD2 4.1Å; M430-L447 HydrophobicContact CE-CD1 4.34Å; M430-L447 HydrophobicContact SD-CD1 3.45Å; M430-L447 WeakPolarHBondContact SD-CD1 3.35Å; C443-L447 WeakPolarHBondContact O-CG 3.23Å; C443-L447 PolarHBondContact O-N 3.13Å; F444-L447 PolarHBondContact O-N 3.17Å; L447-S449 VanDerWaalsContact C-N 3.26Å; L447-S449 PolarHBondContact O-N 3.48Å; L447-V452 HydrophobicContact CD2-CG1 4.5Å; L447-L453 VanDerWaalsContact O-CD2 3.23Å; L447-L453 WeakPolarHBondContact O-CD2 3.23Å; L447-L453 VanDerWaalsContact O-CG 3.23Å; L447-L453 WeakPolarHBondContact O-CG 3.16Å; L447-I486 HydrophobicContact CB-CD1 3.78Å; L447-I486 HydrophobicContact CB-CG1 4.47Å
448C95.6Very high95Very high35 Ų3537.6 Ų37.624%0.23618%0.184CC..THydrogen-bonded Turntrans-83.64.4179.4-162.70000113.3F444 T446 M482 I486F444-C448 WeakPolarHBondContact O-CB 3.45Å; F444-C448 PolarHBondContact O-N 3.43Å; T446-C448 VanDerWaalsContact C-N 3.31Å; T446-C448 PolarHBondContact O-N 3.41Å; C448-M482 HydrophobicContact CB-CB 4.28Å; C448-M482 HydrophobicContact CB-CG 4.25Å; C448-M482 HydrophobicContact CB-SD 4.5Å; C448-I486 HydrophobicContact CB-CD1 4.02Å; C448-I486 HydrophobicContact CB-CG1 3.95Å
449S92.9Very high94.8Very high17 Ų1736.8 Ų36.812%0.11918%0.184CC..SBendtrans-79.8137.6177.565.50000111.5T446 L447 T451 V452 L453T446-S449 PolarHBondContact O-N 3.44Å; T446-S449 PolarHBondContact O-OG 3.41Å; L447-S449 VanDerWaalsContact C-N 3.26Å; L447-S449 PolarHBondContact O-N 3.48Å; S449-T451 VanDerWaalsContact C-N 3.29Å; S449-T451 PolarHBondContact O-N 3.2Å; S449-V452 WeakPolarHBondContact O-CA 3.42Å; S449-V452 WeakPolarHBondContact O-CB 3.24Å; S449-V452 PolarHBondContact O-N 3.33Å; S449-V452 WeakPolarHBondContact OG-CB 3.5Å; S449-V452 WeakPolarHBondContact OG-CG2 3.44Å; S449-L453 PolarHBondContact O-N 3.01Å
450D91.2Very high94.7Very high112 Ų11238.3 Ų38.360%0.59919%0.194SC*.Hα-helixtrans-57.4-41.8-176.9-62.5-27.3000112.4V452 L453 Y454D450-V452 VanDerWaalsContact C-N 3.26Å; D450-V452 PolarHBondContact O-N 3.17Å; D450-L453 PolarHBondContact O-N 3.02Å; D450-Y454 HydrophobicContact CB-CD2 4.07Å; D450-Y454 HydrophobicContact CB-CE2 4.28Å; D450-Y454 WeakPolarHBondContact O-CB 3.43Å; D450-Y454 VanDerWaalsContact O-CD2 3.24Å; D450-Y454 WeakPolarHBondContact O-CD2 3.46Å; D450-Y454 PolarHBondContact O-N 3.45Å
451T91.2Very high94.6Very high9 Ų940.1 Ų40.16%0.05520%0.203CC..Hα-helixtrans-57.7-39.8175.1-53.90000111.8S411 N412 L419 S449 R455S411-T451 VanDerWaalsContact OG-CB 3.26Å; S411-T451 WeakPolarHBondContact OG-CB 3.5Å; S411-T451 VanDerWaalsContact OG-CG2 3.26Å; S411-T451 WeakPolarHBondContact OG-CG2 3.27Å; S411-T451 PolarHBondContact OG-OG1 3.12Å; N412-T451 WeakPolarHBondContact OD1-CG2 3.46Å; N412-T451 PolarHBondContact OD1-OG1 3.43Å; N412-T451 VanDerWaalsContact OD1-OG1 3.07Å; L419-T451 HydrophobicContact CD2-CG2 3.98Å; S449-T451 VanDerWaalsContact C-N 3.29Å; S449-T451 PolarHBondContact O-N 3.2Å; T451-R455 WeakPolarHBondContact O-CB 3.26Å; T451-R455 PolarHBondContact O-N 3.43Å; T451-R455 VanDerWaalsContact O-N 3.09Å
452V93.3Very high94.6Very high0 Ų040.4 Ų40.40%021%0.205CC..Hα-helixtrans-70.8-49.8177166.90000110.6L419 V423 L447 S449 D450 Y454 A456 F458L419-V452 HydrophobicContact CD1-CG2 3.95Å; V423-V452 HydrophobicContact CG2-CB 4.39Å; V423-V452 HydrophobicContact CG2-CG1 3.6Å; V423-V452 HydrophobicContact CG2-CG2 3.97Å; L447-V452 HydrophobicContact CD2-CG1 4.5Å; S449-V452 WeakPolarHBondContact O-CA 3.42Å; S449-V452 WeakPolarHBondContact O-CB 3.24Å; S449-V452 PolarHBondContact O-N 3.33Å; S449-V452 WeakPolarHBondContact OG-CB 3.5Å; S449-V452 WeakPolarHBondContact OG-CG2 3.44Å; D450-V452 VanDerWaalsContact C-N 3.26Å; D450-V452 PolarHBondContact O-N 3.17Å; V452-Y454 VanDerWaalsContact C-N 3.34Å; V452-Y454 PolarHBondContact O-N 3.28Å; V452-A456 HydrophobicContact CG1-CB 4.43Å; V452-A456 WeakPolarHBondContact O-CB 3.26Å; V452-A456 PolarHBondContact O-N 3.03Å; V452-A456 VanDerWaalsContact O-N 3.14Å; V452-F458 HydrophobicContact CG1-CE1 4.19Å
453L93Very high94.6Very high16 Ų1639.6 Ų39.68%0.08420%0.201CC..Hα-helixtrans-64.6-35.2-174.3-69.6171.8000113.3L447 S449 D450 I486 I489 L490L447-L453 VanDerWaalsContact O-CD2 3.23Å; L447-L453 WeakPolarHBondContact O-CD2 3.23Å; L447-L453 VanDerWaalsContact O-CG 3.23Å; L447-L453 WeakPolarHBondContact O-CG 3.16Å; S449-L453 PolarHBondContact O-N 3.01Å; D450-L453 PolarHBondContact O-N 3.02Å; L453-I486 HydrophobicContact CD2-CG2 4.34Å; L453-I489 HydrophobicContact CB-CG2 4.36Å; L453-I489 HydrophobicContact CD1-CD1 3.68Å; L453-L490 HydrophobicContact CD2-CD2 4.03Å; L453-L490 HydrophobicContact CD2-CG 4.2Å
454Y91.1Very high94.6Very high161 Ų16139.6 Ų39.663%0.63120%0.201SC*.Hα-helixtrans-103-23.1-175.1-63.3-65.8000114.8D450 V452 I489D450-Y454 HydrophobicContact CB-CD2 4.07Å; D450-Y454 HydrophobicContact CB-CE2 4.28Å; D450-Y454 WeakPolarHBondContact O-CB 3.43Å; D450-Y454 VanDerWaalsContact O-CD2 3.24Å; D450-Y454 WeakPolarHBondContact O-CD2 3.46Å; D450-Y454 PolarHBondContact O-N 3.45Å; V452-Y454 VanDerWaalsContact C-N 3.34Å; V452-Y454 PolarHBondContact O-N 3.28Å; Y454-I489 HydrophobicContact CE1-CG2 4.23Å
455R92.7Very high94.6Very high85 Ų8543 Ų4332%0.32122%0.217SC..Hα-helixtrans-106.6-35.5-179.2-58.4177.661-129.94.6113.7S411 N412 L414 I416 L419 T451S411-R455 PolarHBondContact O-NH1 3.02Å; N412-R455 VanDerWaalsContact CA-NH1 3.26Å; N412-R455 PolarHBondContact O-NH1 3.01Å; N412-R455 PolarHBondContact O-NH2 3.04Å; N412-R455 WeakPolarHBondContact OD1-CD 3.38Å; L414-R455 PolarHBondContact O-NH2 3.17Å; I416-R455 WeakPolarHBondContact CD1-O 3.41Å; L419-R455 HydrophobicContact CD2-CB 4.18Å; T451-R455 WeakPolarHBondContact O-CB 3.26Å; T451-R455 PolarHBondContact O-N 3.43Å; T451-R455 VanDerWaalsContact O-N 3.09Å
456A93.2Very high94.7Very high13 Ų1341 Ų4111%0.10721%0.207CC..  trans-75.2141.6-172.300000111.6L419 N420 V423 V452 F458L419-A456 HydrophobicContact CD2-CB 3.91Å; L419-A456 HydrophobicContact CG-CB 3.94Å; N420-A456 WeakPolarHBondContact OD1-CA 3.48Å; V423-A456 HydrophobicContact CG2-CB 3.88Å; V452-A456 HydrophobicContact CG1-CB 4.43Å; V452-A456 WeakPolarHBondContact O-CB 3.26Å; V452-A456 PolarHBondContact O-N 3.03Å; V452-A456 VanDerWaalsContact O-N 3.14Å; A456-F458 HydrophobicContact CB-CD1 3.81Å; A456-F458 HydrophobicContact CB-CE1 3.96Å
457T93Very high94.8Very high71 Ų7141 Ų4144%0.43621%0.206SC..  trans-104.6114.3172.9610000109.7N420N420-T457 PolarHBondContact ND2-OG1 3.48Å; N420-T457 PolarHBondContact OD1-N 2.7Å; N420-T457 PolarHBondContact OD1-O 3.15Å; N420-T457 PolarHBondContact OD1-OG1 3.31Å
458F94.3Very high94.8Very high32 Ų3241 Ų4114%0.1421%0.206CC..  trans-151.1173.2-17957.6-84.5000110.6V423 L427 V452 A456 C460 C463 L490V423-F458 HydrophobicContact CB-CD1 4.41Å; V423-F458 HydrophobicContact CG1-CB 3.88Å; V423-F458 HydrophobicContact CG1-CD1 3.64Å; V423-F458 HydrophobicContact CG1-CD2 3.94Å; V423-F458 HydrophobicContact CG1-CE1 4.11Å; V423-F458 HydrophobicContact CG1-CE2 4.38Å; V423-F458 HydrophobicContact CG1-CG 3.54Å; V423-F458 HydrophobicContact CG1-CZ 4.45Å; L427-F458 HydrophobicContact CD1-CD2 4.16Å; V452-F458 HydrophobicContact CG1-CE1 4.19Å; A456-F458 HydrophobicContact CB-CD1 3.81Å; A456-F458 HydrophobicContact CB-CE1 3.96Å; F458-C460 PolarHBondContact O-N 3.28Å; F458-C463 HydrophobicContact CD2-CB 4.11Å; F458-C463 HydrophobicContact CE2-CB 3.74Å; F458-L490 HydrophobicContact CE2-CD1 4.05Å; F458-L490 HydrophobicContact CE2-CD2 4.4Å; F458-L490 HydrophobicContact CZ-CD1 4.29Å; F458-L490 HydrophobicContact CZ-CD2 4Å
459N93.7Very high94.9Very high87 Ų8742.7 Ų42.747%0.46521%0.213SC..  trans-73.599.3177.9-175.1-23.5000110I461 Q462 C463N459-I461 VanDerWaalsContact C-N 3.33Å; N459-I461 PolarHBondContact O-N 3.18Å; N459-I461 WeakPolarHBondContact OD1-CB 3.32Å; N459-I461 PolarHBondContact OD1-N 3Å; N459-I461 VanDerWaalsContact OD1-N 3.12Å; N459-Q462 HydrophobicContact CB-CB 3.93Å; N459-Q462 PolarHBondContact O-N 3.43Å; N459-Q462 PolarHBondContact OD1-N 3.12Å; N459-C463 PolarHBondContact O-N 2.86Å
460C95.1Very high95.1Very high31 Ų3142.1 Ų42.121%0.20921%0.208CC..Hα-helixtrans-62.5-37.5-179.6-620000112.4F458 C463 C464 L490 I494F458-C460 PolarHBondContact O-N 3.28Å; C460-C463 WeakPolarHBondContact O-CB 3.45Å; C460-C463 PolarHBondContact O-N 2.91Å; C460-C464 PolarHBondContact O-N 2.99Å; C460-C464 PolarHBondContact O-SG 3.1Å; C460-L490 HydrophobicContact CB-CB 4.47Å; C460-I494 HydrophobicContact CB-CD1 4.05Å; C460-I494 HydrophobicContact CB-CG1 3.62Å
461I96Very high95.3Very high42 Ų4237.1 Ų37.122%0.21518%0.182CC..Hα-helixtrans-62.2-54.4178.1-61.2165.1000109.4N459 C463 C464 E465 I494 G498 L502N459-I461 VanDerWaalsContact C-N 3.33Å; N459-I461 PolarHBondContact O-N 3.18Å; N459-I461 WeakPolarHBondContact OD1-CB 3.32Å; N459-I461 PolarHBondContact OD1-N 3Å; N459-I461 VanDerWaalsContact OD1-N 3.12Å; I461-C463 PolarHBondContact O-N 3.19Å; I461-C464 WeakPolarHBondContact O-CB 3.38Å; I461-C464 PolarHBondContact O-N 3.34Å; I461-E465 HydrophobicContact CG2-CG 4.37Å; I461-E465 WeakPolarHBondContact O-CG 3.38Å; I461-E465 PolarHBondContact O-N 3.17Å; I461-I494 HydrophobicContact CD1-CG2 4.2Å; I461-I494 HydrophobicContact CG1-CD1 4.28Å; I461-I494 HydrophobicContact CG1-CG1 4.12Å; I461-I494 HydrophobicContact CG1-CG2 3.62Å; I461-G498 VanDerWaalsContact CD1-CA 3.46Å; I461-L502 HydrophobicContact CG2-CD2 4.44Å; I461-L502 HydrophobicContact CG2-CG 4.43Å
462Q96.6Very high95.5Very high58 Ų5839.8 Ų39.827%0.27120%0.195SC..Hα-helixtrans-55.5-41177.4-175.9-171.416.500111.6N459 E465 L466N459-Q462 HydrophobicContact CB-CB 3.93Å; N459-Q462 PolarHBondContact O-N 3.43Å; N459-Q462 PolarHBondContact OD1-N 3.12Å; Q462-E465 PolarHBondContact O-N 3.48Å; Q462-L466 HydrophobicContact CG-CD1 4.14Å; Q462-L466 WeakPolarHBondContact O-CG 3.31Å; Q462-L466 PolarHBondContact O-N 3.05Å
463C98Very high95.6Very high0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-60.8-49.7176-174.90000111.5L427 F458 N459 C460 I461 E465 L466 V467 L490L427-C463 HydrophobicContact CD1-CB 4.49Å; L427-C463 HydrophobicContact CD2-CB 3.93Å; F458-C463 HydrophobicContact CD2-CB 4.11Å; F458-C463 HydrophobicContact CE2-CB 3.74Å; N459-C463 PolarHBondContact O-N 2.86Å; C460-C463 WeakPolarHBondContact O-CB 3.45Å; C460-C463 PolarHBondContact O-N 2.91Å; I461-C463 PolarHBondContact O-N 3.19Å; C463-E465 VanDerWaalsContact C-N 3.33Å; C463-E465 PolarHBondContact O-N 3.49Å; C463-L466 PolarHBondContact O-N 3.46Å; C463-V467 VanDerWaalsContact O-CG2 3.29Å; C463-V467 WeakPolarHBondContact O-CG2 3.38Å; C463-V467 PolarHBondContact O-N 3.02Å; C463-L490 HydrophobicContact CB-CD1 3.94Å
464C98.1Very high95.6Very high0 Ų043.7 Ų43.70%022%0.222CC..Hα-helixtrans-59.7-41.4176.1-75.10000112.1C460 I461 L466 V467 F468 I494 L502C460-C464 PolarHBondContact O-N 2.99Å; C460-C464 PolarHBondContact O-SG 3.1Å; I461-C464 WeakPolarHBondContact O-CB 3.38Å; I461-C464 PolarHBondContact O-N 3.34Å; C464-L466 PolarHBondContact O-N 2.89Å; C464-V467 PolarHBondContact O-N 3.12Å; C464-F468 WeakPolarHBondContact O-CB 3.36Å; C464-F468 WeakPolarHBondContact O-CD2 3.49Å; C464-F468 PolarHBondContact O-N 3.02Å; C464-I494 HydrophobicContact CB-CD1 4.3Å; C464-L502 HydrophobicContact CB-CD1 3.74Å; C464-L502 HydrophobicContact CB-CD2 3.92Å
465E97.7Very high95.6Very high70 Ų7039.8 Ų39.833%0.32721%0.212SC..Hα-helixtrans-60.3-46.3176.4-67.1-172125.900112.3I461 Q462 C463 F468 N469 L502 R508I461-E465 HydrophobicContact CG2-CG 4.37Å; I461-E465 WeakPolarHBondContact O-CG 3.38Å; I461-E465 PolarHBondContact O-N 3.17Å; Q462-E465 PolarHBondContact O-N 3.48Å; C463-E465 VanDerWaalsContact C-N 3.33Å; C463-E465 PolarHBondContact O-N 3.49Å; E465-F468 PolarHBondContact O-N 3.29Å; E465-N469 WeakPolarHBondContact O-CB 3.32Å; E465-N469 PolarHBondContact O-N 2.94Å; E465-N469 PolarHBondContact O-ND2 3.06Å; E465-N469 PolarHBondContact O-OD1 3.46Å; E465-L502 HydrophobicContact CG-CD2 3.55Å; E465-R508 IonicContact OE1-NH2 2.74Å
466L98.3Very high95.7Very high21 Ų2136.8 Ų36.811%0.1120%0.202CC..Hα-helixtrans-65.6-40.1177.9-70.7170.6000111.9L427 M430 E431 Q462 C463 C464 N470L427-L466 HydrophobicContact CB-CD1 4.04Å; L427-L466 HydrophobicContact CD2-CD1 3.98Å; M430-L466 HydrophobicContact CB-CD1 4.26Å; M430-L466 HydrophobicContact CB-CD2 4.48Å; M430-L466 HydrophobicContact CE-CB 3.98Å; E431-L466 HydrophobicContact CB-CD2 3.93Å; E431-L466 HydrophobicContact CG-CD2 4.44Å; Q462-L466 HydrophobicContact CG-CD1 4.14Å; Q462-L466 WeakPolarHBondContact O-CG 3.31Å; Q462-L466 PolarHBondContact O-N 3.05Å; C463-L466 PolarHBondContact O-N 3.46Å; C464-L466 PolarHBondContact O-N 2.89Å; L466-N470 VanDerWaalsContact O-CB 3.3Å; L466-N470 WeakPolarHBondContact O-CB 3.47Å; L466-N470 PolarHBondContact O-N 2.95Å
467V98.3Very high95.7Very high0 Ų041.4 Ų41.40%022%0.224CC..Hα-helixtrans-64.3-45.4174.71730000110.5F444 C463 C464 N470 L471 I486 I487F444-V467 HydrophobicContact CE1-CG1 3.98Å; F444-V467 HydrophobicContact CZ-CB 4.27Å; F444-V467 HydrophobicContact CZ-CG1 3.86Å; F444-V467 HydrophobicContact CZ-CG2 4.23Å; C463-V467 VanDerWaalsContact O-CG2 3.29Å; C463-V467 WeakPolarHBondContact O-CG2 3.38Å; C463-V467 PolarHBondContact O-N 3.02Å; C464-V467 PolarHBondContact O-N 3.12Å; V467-N470 WeakPolarHBondContact O-CB 3.02Å; V467-N470 PolarHBondContact O-N 3.17Å; V467-L471 HydrophobicContact CG1-CD1 4.1Å; V467-L471 HydrophobicContact CG1-CG 4.3Å; V467-L471 VanDerWaalsContact O-CG 3.31Å; V467-L471 WeakPolarHBondContact O-CG 3.41Å; V467-L471 PolarHBondContact O-N 3.11Å; V467-I486 HydrophobicContact CG2-CD1 4.35Å; V467-I486 HydrophobicContact CG2-CG2 4.16Å; V467-I487 HydrophobicContact CB-CD1 4.23Å; V467-I487 HydrophobicContact CB-CG1 4.4Å; V467-I487 HydrophobicContact CG1-CD1 3.6Å; V467-I487 HydrophobicContact CG1-CG1 3.93Å
468F97.9Very high95.7Very high1 Ų142.6 Ų42.60%0.00422%0.224CC..Hα-helixtrans-61.6-48.4176.1-87.2-58.8000112.3C464 E465 N470 L471 L472 I487 L502 R508 F512 L564C464-F468 WeakPolarHBondContact O-CB 3.36Å; C464-F468 WeakPolarHBondContact O-CD2 3.49Å; C464-F468 PolarHBondContact O-N 3.02Å; E465-F468 PolarHBondContact O-N 3.29Å; F468-N470 PolarHBondContact O-N 2.57Å; F468-L471 PolarHBondContact O-N 3.36Å; F468-L471 VanDerWaalsContact O-N 3.13Å; F468-L472 WeakPolarHBondContact O-CB 3.38Å; F468-L472 VanDerWaalsContact O-CG 3.24Å; F468-L472 WeakPolarHBondContact O-CG 3.44Å; F468-L472 PolarHBondContact O-N 3.08Å; F468-I487 HydrophobicContact CD1-CD1 3.96Å; F468-I487 HydrophobicContact CD2-CD1 3.96Å; F468-I487 HydrophobicContact CE1-CD1 3.8Å; F468-I487 HydrophobicContact CE2-CD1 3.8Å; F468-I487 HydrophobicContact CE2-CG1 4.48Å; F468-I487 HydrophobicContact CE2-CG2 4.3Å; F468-I487 HydrophobicContact CG-CD1 4.04Å; F468-I487 HydrophobicContact CZ-CD1 3.73Å; F468-I487 HydrophobicContact CZ-CG2 4.16Å; F468-L502 HydrophobicContact CD2-CD2 4.33Å; F468-R508 HydrophobicContact CB-CG 3.89Å; F468-R508 HydrophobicContact CD1-CB 3.76Å; F468-R508 HydrophobicContact CD1-CG 3.7Å; F468-R508 HydrophobicContact CD2-CB 4.35Å; F468-R508 HydrophobicContact CD2-CG 3.98Å; F468-R508 HydrophobicContact CE1-CB 3.7Å; F468-R508 HydrophobicContact CE1-CG 4.15Å; F468-R508 HydrophobicContact CE2-CB 4.3Å; F468-R508 HydrophobicContact CE2-CG 4.4Å; F468-R508 HydrophobicContact CG-CB 4.1Å; F468-R508 HydrophobicContact CG-CG 3.6Å; F468-R508 HydrophobicContact CZ-CB 3.97Å; F468-R508 HydrophobicContact CZ-CG 4.48Å; F468-F512 HydrophobicContact CE1-CD1 4.25Å; F468-F512 AromaticContact CE1-CE1 3.74Å; F468-F512 HydrophobicContact CE1-CE1 3.74Å; F468-F512 HydrophobicContact CE1-CE2 4.01Å; F468-F512 AromaticContact CE1-CZ 3.62Å; F468-F512 HydrophobicContact CE1-CZ 3.62Å; F468-F512 HydrophobicContact CZ-CE1 4.42Å; F468-F512 AromaticContact CZ-CE2 3.92Å; F468-F512 HydrophobicContact CZ-CE2 3.92Å; F468-F512 AromaticContact CZ-CZ 3.85Å; F468-F512 HydrophobicContact CZ-CZ 3.85Å; F468-L564 HydrophobicContact CZ-CD1 3.99Å
469N96.6Very high95.8Very high71 Ų7141.1 Ų41.138%0.3822%0.218SC..Hα-helixtrans-54.8-42.1177.1-70.3-15.3000110.6E465 L472 S473E465-N469 WeakPolarHBondContact O-CB 3.32Å; E465-N469 PolarHBondContact O-N 2.94Å; E465-N469 PolarHBondContact O-ND2 3.06Å; E465-N469 PolarHBondContact O-OD1 3.46Å; N469-L472 PolarHBondContact O-N 3.28Å; N469-S473 WeakPolarHBondContact O-CB 3.47Å; N469-S473 PolarHBondContact O-N 3.06Å; N469-S473 PolarHBondContact O-OG 2.94Å
470N97.4Very high96Very high4 Ų438.3 Ų38.32%0.02120%0.201CC..Hα-helixtrans-64.9-47.9176.4-176.3-82.1000113.5Q440 F444 L466 V467 F468 L472 S473 F474 M479Q440-N470 WeakPolarHBondContact CB-ND2 3.49Å; Q440-N470 VanDerWaalsContact CG-ND2 3.27Å; Q440-N470 WeakPolarHBondContact CG-ND2 3.22Å; Q440-N470 PolarHBondContact OE1-ND2 3.08Å; Q440-N470 VanDerWaalsContact OE1-ND2 3.09Å; F444-N470 HydrophobicContact CE2-CB 3.74Å; F444-N470 VanDerWaalsContact CE2-CG 3.41Å; F444-N470 WeakPolarHBondContact CE2-OD1 3.31Å; F444-N470 HydrophobicContact CZ-CB 3.73Å; F444-N470 VanDerWaalsContact CZ-OD1 3.23Å; F444-N470 WeakPolarHBondContact CZ-OD1 3.18Å; L466-N470 VanDerWaalsContact O-CB 3.3Å; L466-N470 WeakPolarHBondContact O-CB 3.47Å; L466-N470 PolarHBondContact O-N 2.95Å; V467-N470 WeakPolarHBondContact O-CB 3.02Å; V467-N470 PolarHBondContact O-N 3.17Å; F468-N470 PolarHBondContact O-N 2.57Å; N470-L472 PolarHBondContact O-N 3.43Å; N470-S473 PolarHBondContact O-N 3.19Å; N470-F474 VanDerWaalsContact ND2-CD2 3.31Å; N470-F474 WeakPolarHBondContact ND2-CD2 3.27Å; N470-F474 WeakPolarHBondContact ND2-CE2 3.23Å; N470-F474 WeakPolarHBondContact O-CD2 3.49Å; N470-F474 PolarHBondContact O-N 3.15Å; N470-M479 VanDerWaalsContact CG-CE 3.46Å; N470-M479 VanDerWaalsContact ND2-CE 3.27Å; N470-M479 WeakPolarHBondContact ND2-CE 3.27Å; N470-M479 WeakPolarHBondContact OD1-CE 3.37Å
471L96.7Very high96.1Very high8 Ų842.4 Ų42.44%0.04221%0.212CC..Hα-helixtrans-61.4-30177.8-70.3-180000112.7F444 V467 F468 M479 K480 I487 F512F444-L471 HydrophobicContact CE1-CD2 4.39Å; V467-L471 HydrophobicContact CG1-CD1 4.1Å; V467-L471 HydrophobicContact CG1-CG 4.3Å; V467-L471 VanDerWaalsContact O-CG 3.31Å; V467-L471 WeakPolarHBondContact O-CG 3.41Å; V467-L471 PolarHBondContact O-N 3.11Å; F468-L471 PolarHBondContact O-N 3.36Å; F468-L471 VanDerWaalsContact O-N 3.13Å; L471-M479 WeakPolarHBondContact CD2-O 3.43Å; L471-K480 HydrophobicContact CD2-CG 4.44Å; L471-I487 HydrophobicContact CD1-CD1 4.21Å; L471-F512 HydrophobicContact CD1-CE1 4.06Å
472L94.8Very high96.1Very high64 Ų6441.3 Ų41.334%0.33521%0.207SC..Hα-helixtrans-77-28.2174.2-67.4172.4000112.7F468 N469 N470 R507 C511F468-L472 WeakPolarHBondContact O-CB 3.38Å; F468-L472 VanDerWaalsContact O-CG 3.24Å; F468-L472 WeakPolarHBondContact O-CG 3.44Å; F468-L472 PolarHBondContact O-N 3.08Å; N469-L472 PolarHBondContact O-N 3.28Å; N470-L472 PolarHBondContact O-N 3.43Å; L472-R507 HydrophobicContact CD1-CB 3.97Å; L472-R507 HydrophobicContact CD2-CB 3.91Å; L472-C511 HydrophobicContact CD2-CB 3.91Å
473S94.5Very high96.2Very high79 Ų7938.6 Ų38.655%0.55219%0.194SC*.Hα-helixtrans-89.5-27.5-179.2-63.60000114.3N469 N470N469-S473 WeakPolarHBondContact O-CB 3.47Å; N469-S473 PolarHBondContact O-N 3.06Å; N469-S473 PolarHBondContact O-OG 2.94Å; N470-S473 PolarHBondContact O-N 3.19Å
474F93.8Very high96.2Very high19 Ų1938.6 Ų38.68%0.08319%0.194CC..  trans-125123.1-173.9-60.1-73000113.2P434 R437 Q440 N470 D476 M479P434-F474 VanDerWaalsContact O-CE2 3.28Å; P434-F474 WeakPolarHBondContact O-CE2 3.48Å; P434-F474 WeakPolarHBondContact O-CZ 3.23Å; R437-F474 HydrophobicContact CB-CD1 4.22Å; R437-F474 HydrophobicContact CB-CE1 3.79Å; R437-F474 HydrophobicContact CB-CZ 4.28Å; R437-F474 HydrophobicContact CG-CD1 4.08Å; R437-F474 HydrophobicContact CG-CE1 4.18Å; Q440-F474 HydrophobicContact CG-CE2 4.06Å; N470-F474 VanDerWaalsContact ND2-CD2 3.31Å; N470-F474 WeakPolarHBondContact ND2-CD2 3.27Å; N470-F474 WeakPolarHBondContact ND2-CE2 3.23Å; N470-F474 WeakPolarHBondContact O-CD2 3.49Å; N470-F474 PolarHBondContact O-N 3.15Å; F474-D476 PolarHBondContact O-N 3.27Å; F474-M479 HydrophobicContact CB-CE 4.39Å; F474-M479 HydrophobicContact CB-SD 4.21Å; F474-M479 HydrophobicContact CD2-CE 3.97Å; F474-M479 HydrophobicContact CG-CE 4.33Å
475D91.3Very high96.2Very high80 Ų8039 Ų3943%0.42820%0.197SC..  trans-86.280.7165.9-175.431000110.4K480 R541D475-K480 VanDerWaalsContact OD1-CE 3.3Å; D475-K480 WeakPolarHBondContact OD1-CE 3.32Å; D475-K480 IonicContact OD1-NZ 3.51Å; D475-K480 PolarHBondContact OD1-NZ 2.85Å; D475-R541 IonicContact OD2-CZ 3.53Å; D475-R541 IonicContact OD2-NH1 3.51Å; D475-R541 PolarHBondContact OD2-NH1 2.98Å; D475-R541 IonicContact OD2-NH2 2.79Å; D475-R541 PolarHBondContact OD2-NH2 2.9Å
476D94Very high96.2Very high21 Ų2135.6 Ų35.611%0.11218%0.181CC..  trans-131.2125.5176.9-177.6-73.1000111.2K441 F474 H478 M479 K480K441-D476 WeakPolarHBondContact CE-OD2 3.47Å; K441-D476 IonicContact NZ-OD1 3.98Å; K441-D476 IonicContact NZ-OD2 3.18Å; K441-D476 PolarHBondContact NZ-OD2 3.15Å; F474-D476 PolarHBondContact O-N 3.27Å; D476-H478 VanDerWaalsContact C-N 3.32Å; D476-H478 PolarHBondContact O-N 3.25Å; D476-H478 WeakPolarHBondContact OD1-CB 3.27Å; D476-H478 PolarHBondContact OD1-N 3.37Å; D476-M479 HydrophobicContact CB-CB 4.07Å; D476-M479 HydrophobicContact CB-CG 3.92Å; D476-M479 HydrophobicContact CB-SD 3.69Å; D476-M479 PolarHBondContact O-N 3.1Å; D476-M479 PolarHBondContact OD1-N 2.99Å; D476-M479 VanDerWaalsContact OD1-N 3.12Å; D476-K480 VanDerWaalsContact O-CG 3.31Å; D476-K480 WeakPolarHBondContact O-CG 3.5Å; D476-K480 PolarHBondContact O-N 3.4Å
477I93.3Very high96.2Very high110 Ų11034.6 Ų34.656%0.56418%0.176SC*.Hα-helixtrans-61-36.5-173.4-167.9168.5000113.6R481I477-R481 PolarHBondContact O-N 3.45Å; I477-R481 VanDerWaalsContact O-N 3.09Å
478H94.5Very high96.2Very high97 Ų9735 Ų3545%0.44918%0.179SC..Hα-helixtrans-75.6-39.1-178.5-63.1-65.8000110.7D476 R481 M482D476-H478 VanDerWaalsContact C-N 3.32Å; D476-H478 PolarHBondContact O-N 3.25Å; D476-H478 WeakPolarHBondContact OD1-CB 3.27Å; D476-H478 PolarHBondContact OD1-N 3.37Å; H478-R481 PolarHBondContact O-N 2.7Å; H478-M482 HydrophobicContact CB-CE 4.3Å; H478-M482 WeakPolarHBondContact O-CB 3.47Å; H478-M482 WeakPolarHBondContact O-CE 3.39Å; H478-M482 WeakPolarHBondContact O-CG 3.39Å; H478-M482 PolarHBondContact O-N 3.5Å
479M96.1Very high96.1Very high0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-65.3-42.5175.1-60.8174.77900110.8R437 Q440 K441 F444 N470 L471 F474 D476 R481 M482 G483R437-M479 HydrophobicContact CG-SD 4.31Å; Q440-M479 HydrophobicContact CB-CE 3.66Å; K441-M479 HydrophobicContact CG-CE 4.42Å; K441-M479 HydrophobicContact CG-CG 3.93Å; K441-M479 HydrophobicContact CG-SD 3.78Å; F444-M479 HydrophobicContact CE1-CB 4.42Å; F444-M479 WeakPolarHBondContact CE1-O 3.23Å; N470-M479 VanDerWaalsContact CG-CE 3.46Å; N470-M479 VanDerWaalsContact ND2-CE 3.27Å; N470-M479 WeakPolarHBondContact ND2-CE 3.27Å; N470-M479 WeakPolarHBondContact OD1-CE 3.37Å; L471-M479 WeakPolarHBondContact CD2-O 3.43Å; F474-M479 HydrophobicContact CB-CE 4.39Å; F474-M479 HydrophobicContact CB-SD 4.21Å; F474-M479 HydrophobicContact CD2-CE 3.97Å; F474-M479 HydrophobicContact CG-CE 4.33Å; D476-M479 HydrophobicContact CB-CB 4.07Å; D476-M479 HydrophobicContact CB-CG 3.92Å; D476-M479 HydrophobicContact CB-SD 3.69Å; D476-M479 PolarHBondContact O-N 3.1Å; D476-M479 PolarHBondContact OD1-N 2.99Å; D476-M479 VanDerWaalsContact OD1-N 3.12Å; M479-R481 PolarHBondContact O-N 3.21Å; M479-M482 PolarHBondContact O-N 2.99Å; M479-G483 PolarHBondContact O-N 3.06Å
480K96.3Very high96.1Very high29 Ų2933.4 Ų33.413%0.12617%0.17CC..Hα-helixtrans-52.4-56171.2-74.2-179.4172.51790111.2L471 D475 D476 M482 G483 V484 Y515 E518L471-K480 HydrophobicContact CD2-CG 4.44Å; D475-K480 VanDerWaalsContact OD1-CE 3.3Å; D475-K480 WeakPolarHBondContact OD1-CE 3.32Å; D475-K480 IonicContact OD1-NZ 3.51Å; D475-K480 PolarHBondContact OD1-NZ 2.85Å; D476-K480 VanDerWaalsContact O-CG 3.31Å; D476-K480 WeakPolarHBondContact O-CG 3.5Å; D476-K480 PolarHBondContact O-N 3.4Å; K480-M482 PolarHBondContact O-N 2.91Å; K480-G483 PolarHBondContact O-N 3.06Å; K480-V484 WeakPolarHBondContact O-CG1 3.5Å; K480-V484 WeakPolarHBondContact O-CG2 3.29Å; K480-V484 PolarHBondContact O-N 3.36Å; K480-Y515 HydrophobicContact CB-CE2 4.35Å; K480-Y515 HydrophobicContact CD-CD1 4.45Å; K480-Y515 HydrophobicContact CD-CE1 3.87Å; K480-Y515 HydrophobicContact CD-CE2 4.46Å; K480-Y515 VanDerWaalsContact CE-CE1 3.44Å; K480-Y515 HydrophobicContact CG-CE1 4.24Å; K480-Y515 HydrophobicContact CG-CE2 4.08Å; K480-E518 IonicContact NZ-OE2 3.92Å
481R97.1Very high96Very high116 Ų11633.2 Ų33.244%0.43817%0.169SC..Hα-helixtrans-57.9-47.5-178.9-175.5179.764.5-178.20.6112.8I477 H478 M479 V484 A485 T552I477-R481 PolarHBondContact O-N 3.45Å; I477-R481 VanDerWaalsContact O-N 3.09Å; H478-R481 PolarHBondContact O-N 2.7Å; M479-R481 PolarHBondContact O-N 3.21Å; R481-V484 VanDerWaalsContact O-CG2 3.28Å; R481-V484 WeakPolarHBondContact O-CG2 3.49Å; R481-A485 WeakPolarHBondContact O-CB 3.31Å; R481-A485 PolarHBondContact O-N 3.19Å; R481-T552 HydrophobicContact CG-CG2 4.48Å
482M97.7Very high95.8Very high20 Ų2034.9 Ų34.910%0.09918%0.184CC..Hα-helixtrans-69.5-40.7179.8-73.1-176.6-67.900111.8F444 L445 C448 H478 M479 K480 A485 I486F444-M482 HydrophobicContact CB-CB 4.36Å; F444-M482 HydrophobicContact CB-CE 3.75Å; F444-M482 HydrophobicContact CB-SD 4.07Å; F444-M482 HydrophobicContact CD1-CB 3.82Å; L445-M482 HydrophobicContact CD2-CE 4.48Å; L445-M482 HydrophobicContact CD2-SD 3.79Å; L445-M482 HydrophobicContact CG-SD 4.16Å; C448-M482 HydrophobicContact CB-CB 4.28Å; C448-M482 HydrophobicContact CB-CG 4.25Å; C448-M482 HydrophobicContact CB-SD 4.5Å; H478-M482 HydrophobicContact CB-CE 4.3Å; H478-M482 WeakPolarHBondContact O-CB 3.47Å; H478-M482 WeakPolarHBondContact O-CE 3.39Å; H478-M482 WeakPolarHBondContact O-CG 3.39Å; H478-M482 PolarHBondContact O-N 3.5Å; M479-M482 PolarHBondContact O-N 2.99Å; K480-M482 PolarHBondContact O-N 2.91Å; M482-A485 WeakPolarHBondContact O-CB 3.36Å; M482-A485 PolarHBondContact O-N 3.4Å; M482-I486 VanDerWaalsContact O-CG1 3.27Å; M482-I486 WeakPolarHBondContact O-CG1 3.37Å; M482-I486 PolarHBondContact O-N 2.7Å
483G98.1Very high95.7Very high0 Ų039.1 Ų39.10%020%0.202CC..Hα-helixtrans-64.3-44.1-178.800000112.8M479 K480 A485 I486 I487M479-G483 PolarHBondContact O-N 3.06Å; K480-G483 PolarHBondContact O-N 3.06Å; G483-A485 VanDerWaalsContact C-N 3.3Å; G483-A485 PolarHBondContact O-N 3.41Å; G483-I486 PolarHBondContact O-N 3.22Å; G483-I487 WeakPolarHBondContact O-CG1 3.48Å; G483-I487 PolarHBondContact O-N 2.97Å
484V98.1Very high95.7Very high0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-66-34.7175.7-600000111.7K480 R481 S488 F512 Y515 T553 F556 T557K480-V484 WeakPolarHBondContact O-CG1 3.5Å; K480-V484 WeakPolarHBondContact O-CG2 3.29Å; K480-V484 PolarHBondContact O-N 3.36Å; R481-V484 VanDerWaalsContact O-CG2 3.28Å; R481-V484 WeakPolarHBondContact O-CG2 3.49Å; V484-S488 WeakPolarHBondContact O-CB 3.44Å; V484-S488 PolarHBondContact O-N 3.13Å; V484-S488 PolarHBondContact O-OG 3.28Å; V484-F512 HydrophobicContact CG1-CD1 4.31Å; V484-F512 HydrophobicContact CG1-CE1 3.79Å; V484-F512 HydrophobicContact CG1-CZ 4.29Å; V484-Y515 HydrophobicContact CG1-CD2 3.9Å; V484-Y515 HydrophobicContact CG1-CE2 4Å; V484-T553 HydrophobicContact CG2-CG2 4.12Å; V484-F556 HydrophobicContact CB-CB 4.09Å; V484-F556 HydrophobicContact CG2-CB 3.61Å; V484-T557 WeakPolarHBondContact CG1-OG1 3.46Å
485A97.6Very high95.7Very high8 Ų837.5 Ų37.57%0.06619%0.193CC..Hα-helixtrans-65.6-49.2175.900000111.4R481 M482 G483 I487 S488 I489 F556R481-A485 WeakPolarHBondContact O-CB 3.31Å; R481-A485 PolarHBondContact O-N 3.19Å; M482-A485 WeakPolarHBondContact O-CB 3.36Å; M482-A485 PolarHBondContact O-N 3.4Å; G483-A485 VanDerWaalsContact C-N 3.3Å; G483-A485 PolarHBondContact O-N 3.41Å; A485-I487 PolarHBondContact O-N 2.92Å; A485-S488 PolarHBondContact O-N 3.43Å; A485-S488 PolarHBondContact O-OG 3.24Å; A485-I489 PolarHBondContact O-N 3.46Å; A485-F556 HydrophobicContact CB-CD1 4.45Å; A485-F556 HydrophobicContact CB-CD2 3.68Å; A485-F556 HydrophobicContact CB-CE2 3.77Å; A485-F556 HydrophobicContact CB-CG 4.05Å; A485-F556 HydrophobicContact CB-CZ 4.25Å
486I98.1Very high95.8Very high0 Ų036.8 Ų36.80%019%0.191CC..Hα-helixtrans-56.1-52.4176.4-67.5161.5000110.3F444 L447 C448 L453 V467 M482 G483 S488 I489 L490F444-I486 HydrophobicContact CD1-CD1 4.32Å; L447-I486 HydrophobicContact CB-CD1 3.78Å; L447-I486 HydrophobicContact CB-CG1 4.47Å; C448-I486 HydrophobicContact CB-CD1 4.02Å; C448-I486 HydrophobicContact CB-CG1 3.95Å; L453-I486 HydrophobicContact CD2-CG2 4.34Å; V467-I486 HydrophobicContact CG2-CD1 4.35Å; V467-I486 HydrophobicContact CG2-CG2 4.16Å; M482-I486 VanDerWaalsContact O-CG1 3.27Å; M482-I486 WeakPolarHBondContact O-CG1 3.37Å; M482-I486 PolarHBondContact O-N 2.7Å; G483-I486 PolarHBondContact O-N 3.22Å; I486-S488 VanDerWaalsContact C-N 3.32Å; I486-S488 PolarHBondContact O-N 3.25Å; I486-I489 PolarHBondContact O-N 2.88Å; I486-L490 HydrophobicContact CG2-CD1 3.61Å; I486-L490 HydrophobicContact CG2-CG 4.14Å; I486-L490 WeakPolarHBondContact O-CB 3.31Å; I486-L490 WeakPolarHBondContact O-CG 3.36Å; I486-L490 PolarHBondContact O-N 3.25Å
487I98.2Very high95.8Very high0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-65.2-37.5-178.3-65.9166000110.9V467 F468 L471 G483 A485 I489 L490 A491 F512 A560 L564V467-I487 HydrophobicContact CB-CD1 4.23Å; V467-I487 HydrophobicContact CB-CG1 4.4Å; V467-I487 HydrophobicContact CG1-CD1 3.6Å; V467-I487 HydrophobicContact CG1-CG1 3.93Å; F468-I487 HydrophobicContact CD1-CD1 3.96Å; F468-I487 HydrophobicContact CD2-CD1 3.96Å; F468-I487 HydrophobicContact CE1-CD1 3.8Å; F468-I487 HydrophobicContact CE2-CD1 3.8Å; F468-I487 HydrophobicContact CE2-CG1 4.48Å; F468-I487 HydrophobicContact CE2-CG2 4.3Å; F468-I487 HydrophobicContact CG-CD1 4.04Å; F468-I487 HydrophobicContact CZ-CD1 3.73Å; F468-I487 HydrophobicContact CZ-CG2 4.16Å; L471-I487 HydrophobicContact CD1-CD1 4.21Å; G483-I487 WeakPolarHBondContact O-CG1 3.48Å; G483-I487 PolarHBondContact O-N 2.97Å; A485-I487 PolarHBondContact O-N 2.92Å; I487-I489 PolarHBondContact O-N 3.48Å; I487-L490 PolarHBondContact O-N 3.25Å; I487-A491 WeakPolarHBondContact O-CB 3.44Å; I487-A491 PolarHBondContact O-N 3.09Å; I487-F512 HydrophobicContact CB-CZ 4.04Å; I487-F512 HydrophobicContact CD1-CE1 4.24Å; I487-F512 HydrophobicContact CD1-CZ 3.61Å; I487-F512 HydrophobicContact CG1-CZ 4.42Å; I487-F512 HydrophobicContact CG2-CE2 3.89Å; I487-F512 HydrophobicContact CG2-CZ 3.87Å; I487-A560 HydrophobicContact CG2-CB 4.15Å; I487-L564 HydrophobicContact CG2-CD1 4.25Å; I487-L564 HydrophobicContact CG2-CD2 4.41Å; I487-L564 HydrophobicContact CG2-CG 4.48Å
488S97.2Very high95.9Very high9 Ų934.2 Ų34.26%0.06318%0.184CC..Hα-helixtrans-59.6-33.8178.474.70000113.1V484 A485 I486 F556 N563V484-S488 WeakPolarHBondContact O-CB 3.44Å; V484-S488 PolarHBondContact O-N 3.13Å; V484-S488 PolarHBondContact O-OG 3.28Å; A485-S488 PolarHBondContact O-N 3.43Å; A485-S488 PolarHBondContact O-OG 3.24Å; I486-S488 VanDerWaalsContact C-N 3.32Å; I486-S488 PolarHBondContact O-N 3.25Å; S488-F556 WeakPolarHBondContact OG-CD1 3.32Å; S488-N563 PolarHBondContact O-ND2 3.06Å
489I96.1Very high96Very high35 Ų3529.6 Ų29.618%0.17916%0.163CC..Hα-helixtrans-83.9-51.4178.4-67.9164.5000110.1L453 Y454 A485 I486 I487 A491 A492L453-I489 HydrophobicContact CB-CG2 4.36Å; L453-I489 HydrophobicContact CD1-CD1 3.68Å; Y454-I489 HydrophobicContact CE1-CG2 4.23Å; A485-I489 PolarHBondContact O-N 3.46Å; I486-I489 PolarHBondContact O-N 2.88Å; I487-I489 PolarHBondContact O-N 3.48Å; I489-A491 PolarHBondContact O-N 3.29Å; I489-A492 WeakPolarHBondContact O-CB 3.42Å; I489-A492 PolarHBondContact O-N 3.41Å
490L96.5Very high96Very high3 Ų331.4 Ų31.42%0.01618%0.176CC..Hα-helixtrans-67.8-32.1-174.4-63.9-174.3000113.4L453 F458 C460 C463 I486 I487 A492 E493 I494L453-L490 HydrophobicContact CD2-CD2 4.03Å; L453-L490 HydrophobicContact CD2-CG 4.2Å; F458-L490 HydrophobicContact CE2-CD1 4.05Å; F458-L490 HydrophobicContact CE2-CD2 4.4Å; F458-L490 HydrophobicContact CZ-CD1 4.29Å; F458-L490 HydrophobicContact CZ-CD2 4Å; C460-L490 HydrophobicContact CB-CB 4.47Å; C463-L490 HydrophobicContact CB-CD1 3.94Å; I486-L490 HydrophobicContact CG2-CD1 3.61Å; I486-L490 HydrophobicContact CG2-CG 4.14Å; I486-L490 WeakPolarHBondContact O-CB 3.31Å; I486-L490 WeakPolarHBondContact O-CG 3.36Å; I486-L490 PolarHBondContact O-N 3.25Å; I487-L490 PolarHBondContact O-N 3.25Å; L490-A492 PolarHBondContact O-N 2.92Å; L490-E493 PolarHBondContact O-N 3.3Å; L490-I494 VanDerWaalsContact O-CG1 3.31Å; L490-I494 WeakPolarHBondContact O-CG1 3.25Å; L490-I494 PolarHBondContact O-N 2.8Å
491A96.1Very high96Very high0 Ų033.5 Ų33.50%019%0.188CC..Hα-helixtrans-59.1-32.4178.500000112.2I487 I489 E493 I494 L499 N563 L564 R695I487-A491 WeakPolarHBondContact O-CB 3.44Å; I487-A491 PolarHBondContact O-N 3.09Å; I489-A491 PolarHBondContact O-N 3.29Å; A491-E493 VanDerWaalsContact C-N 3.25Å; A491-E493 PolarHBondContact O-N 3.5Å; A491-I494 PolarHBondContact O-N 2.93Å; A491-L499 HydrophobicContact CB-CD2 4.33Å; A491-N563 HydrophobicContact CB-CB 3.75Å; A491-L564 HydrophobicContact CB-CD2 3.99Å; A491-L564 HydrophobicContact CB-CG 4.18Å; A491-R695 PolarHBondContact O-NH2 3.46Å
492A93.3Very high95.9Very high42 Ų4228.1 Ų28.135%0.34717%0.168SC..Hα-helixtrans-65.8-26.6176.800000113.2I489 L490 R695I489-A492 WeakPolarHBondContact O-CB 3.42Å; I489-A492 PolarHBondContact O-N 3.41Å; L490-A492 PolarHBondContact O-N 2.92Å; A492-R695 PolarHBondContact O-NH1 2.94Å; A492-R695 PolarHBondContact O-NH2 3.35Å
493E91.1Very high95.8Very high153 Ų15327.4 Ų27.472%0.71517%0.165SC*.Hα-helixtrans-97.7-11.1-176.7-62.5-65.1147.800113.1L490 A491L490-E493 PolarHBondContact O-N 3.3Å; A491-E493 VanDerWaalsContact C-N 3.25Å; A491-E493 PolarHBondContact O-N 3.5Å
494I94.4Very high95.7Very high5 Ų533.1 Ų33.13%0.02619%0.19CC..SBendtrans-79.7141.3179.7-69.6167.3000109.9C460 I461 C464 L490 A491 L499 L502 R695C460-I494 HydrophobicContact CB-CD1 4.05Å; C460-I494 HydrophobicContact CB-CG1 3.62Å; I461-I494 HydrophobicContact CD1-CG2 4.2Å; I461-I494 HydrophobicContact CG1-CD1 4.28Å; I461-I494 HydrophobicContact CG1-CG1 4.12Å; I461-I494 HydrophobicContact CG1-CG2 3.62Å; C464-I494 HydrophobicContact CB-CD1 4.3Å; L490-I494 VanDerWaalsContact O-CG1 3.31Å; L490-I494 WeakPolarHBondContact O-CG1 3.25Å; L490-I494 PolarHBondContact O-N 2.8Å; A491-I494 PolarHBondContact O-N 2.93Å; I494-L499 HydrophobicContact CB-CD2 3.94Å; I494-L499 HydrophobicContact CB-CG 4.34Å; I494-L499 HydrophobicContact CG2-CD2 3.83Å; I494-L499 HydrophobicContact CG2-CG 3.96Å; I494-L502 HydrophobicContact CD1-CD1 3.86Å; I494-R695 PolarHBondContact O-NH1 3.39Å
495S94.3Very high95.5Very high60 Ų6034.4 Ų34.442%0.4220%0.197SC..  trans-63.5157173.963.30000112.2S497 G498 L499S495-S497 VanDerWaalsContact C-N 3.25Å; S495-S497 PolarHBondContact O-N 3.31Å; S495-S497 PolarHBondContact OG-OG 3.43Å; S495-G498 WeakPolarHBondContact O-CA 3.48Å; S495-G498 PolarHBondContact O-N 3.01Å; S495-G498 PolarHBondContact OG-N 2.67Å; S495-L499 PolarHBondContact O-N 3.17Å
496T93.6Very high95.3Very high65 Ų6535.9 Ų35.940%0.39921%0.206SC..Hα-helixtrans-57.3-37.9176.753.50000112.6L499 S500 E567T496-L499 PolarHBondContact O-N 3.48Å; T496-S500 WeakPolarHBondContact O-CB 3.44Å; T496-S500 PolarHBondContact O-N 3.42Å; T496-E567 HydrophobicContact CG2-CB 3.79Å; T496-E567 WeakPolarHBondContact CG2-O 3.49Å
497S94.3Very high95.2Very high76 Ų7642.1 Ų42.153%0.53123%0.23SC..Hα-helixtrans-61.4-43.6172.356.70000112.6S495 S500 D501S495-S497 VanDerWaalsContact C-N 3.25Å; S495-S497 PolarHBondContact O-N 3.31Å; S495-S497 PolarHBondContact OG-OG 3.43Å; S497-S500 WeakPolarHBondContact O-CB 3.3Å; S497-S500 PolarHBondContact O-N 3.36Å; S497-D501 PolarHBondContact O-N 3.03Å
498G95.2Very high95.1Very high0 Ų042.9 Ų42.90%023%0.233CC..Hα-helixtrans-67.2-37.5176.600000113.4I461 S495 S500 D501 L502I461-G498 VanDerWaalsContact CD1-CA 3.46Å; S495-G498 WeakPolarHBondContact O-CA 3.48Å; S495-G498 PolarHBondContact O-N 3.01Å; S495-G498 PolarHBondContact OG-N 2.67Å; G498-S500 VanDerWaalsContact C-N 3.33Å; G498-D501 PolarHBondContact O-N 3.29Å; G498-L502 WeakPolarHBondContact O-CG 3.46Å; G498-L502 PolarHBondContact O-N 3.38Å
499L96.2Very high95Very high1 Ų142.7 Ų42.71%0.00523%0.231CC..Hα-helixtrans-64.2-40.1172.3-66.7-176.8000111.3A491 I494 S495 T496 L502 A503 L564 C568A491-L499 HydrophobicContact CB-CD2 4.33Å; I494-L499 HydrophobicContact CB-CD2 3.94Å; I494-L499 HydrophobicContact CB-CG 4.34Å; I494-L499 HydrophobicContact CG2-CD2 3.83Å; I494-L499 HydrophobicContact CG2-CG 3.96Å; S495-L499 PolarHBondContact O-N 3.17Å; T496-L499 PolarHBondContact O-N 3.48Å; L499-L502 HydrophobicContact CD2-CD1 4.45Å; L499-L502 WeakPolarHBondContact O-CB 3.28Å; L499-L502 PolarHBondContact O-N 3.23Å; L499-A503 WeakPolarHBondContact O-CB 3.36Å; L499-A503 PolarHBondContact O-N 3.12Å; L499-L564 HydrophobicContact CD2-CD2 3.95Å; L499-C568 HydrophobicContact CB-CB 4.12Å; L499-C568 HydrophobicContact CD1-CB 4.47Å
500S96.3Very high95Very high38 Ų3842 Ų4227%0.26623%0.227SC..Hα-helixtrans-61.6-44.9175-174.30000111.5T496 S497 G498 L502 A503 K504 C568T496-S500 WeakPolarHBondContact O-CB 3.44Å; T496-S500 PolarHBondContact O-N 3.42Å; S497-S500 WeakPolarHBondContact O-CB 3.3Å; S497-S500 PolarHBondContact O-N 3.36Å; G498-S500 VanDerWaalsContact C-N 3.33Å; S500-L502 VanDerWaalsContact C-N 3.3Å; S500-L502 PolarHBondContact O-N 3.47Å; S500-A503 PolarHBondContact O-N 3.32Å; S500-A503 VanDerWaalsContact O-N 3.12Å; S500-K504 PolarHBondContact O-N 3.23Å; S500-K504 VanDerWaalsContact O-N 3.11Å; S500-C568 PolarHBondContact N-SG 3.07Å
501D95.7Very high94.9Very high72 Ų7242.4 Ų42.439%0.38523%0.23SC..Hα-helixtrans-60.5-39.1173.6-75.8-25.4000112.4S497 G498 K504S497-D501 PolarHBondContact O-N 3.03Å; G498-D501 PolarHBondContact O-N 3.29Å; D501-K504 WeakPolarHBondContact OD1-CE 3.21Å; D501-K504 IonicContact OD1-NZ 3.75Å; D501-K504 PolarHBondContact OD1-NZ 3.24Å
502L96.1Very high95Very high3 Ų342.4 Ų42.42%0.01623%0.23CC..Hα-helixtrans-62.9-42.9173.4-73.4174.7000111.8I461 C464 E465 F468 I494 G498 L499 S500 K504 R508 L564I461-L502 HydrophobicContact CG2-CD2 4.44Å; I461-L502 HydrophobicContact CG2-CG 4.43Å; C464-L502 HydrophobicContact CB-CD1 3.74Å; C464-L502 HydrophobicContact CB-CD2 3.92Å; E465-L502 HydrophobicContact CG-CD2 3.55Å; F468-L502 HydrophobicContact CD2-CD2 4.33Å; I494-L502 HydrophobicContact CD1-CD1 3.86Å; G498-L502 WeakPolarHBondContact O-CG 3.46Å; G498-L502 PolarHBondContact O-N 3.38Å; L499-L502 HydrophobicContact CD2-CD1 4.45Å; L499-L502 WeakPolarHBondContact O-CB 3.28Å; L499-L502 PolarHBondContact O-N 3.23Å; S500-L502 VanDerWaalsContact C-N 3.3Å; S500-L502 PolarHBondContact O-N 3.47Å; L502-K504 VanDerWaalsContact C-N 3.32Å; L502-K504 PolarHBondContact O-N 2.91Å; L502-R508 VanDerWaalsContact CA-NH1 3.3Å; L502-R508 WeakPolarHBondContact O-CD 3.49Å; L502-R508 PolarHBondContact O-NH1 3.05Å; L502-L564 HydrophobicContact CD1-CD2 4.34Å
503A95.3Very high95.1Very high5 Ų540.4 Ų40.44%0.04121%0.213CC..Hα-helixtrans-73.1-16.9-176.600000114.8L499 S500 D505 E570 A571L499-A503 WeakPolarHBondContact O-CB 3.36Å; L499-A503 PolarHBondContact O-N 3.12Å; S500-A503 PolarHBondContact O-N 3.32Å; S500-A503 VanDerWaalsContact O-N 3.12Å; A503-D505 PolarHBondContact O-N 3.38Å; A503-E570 HydrophobicContact CB-CB 4.39Å; A503-E570 HydrophobicContact CB-CG 4.03Å; A503-A571 HydrophobicContact CB-CB 3.81Å
504K95.2Very high95.3Very high120 Ų12034 Ų3452%0.52219%0.185SC..THydrogen-bonded Turntrans-55.3-34.4177.5-78.2174-177.1166.20113.3S500 D501 L502 P506S500-K504 PolarHBondContact O-N 3.23Å; S500-K504 VanDerWaalsContact O-N 3.11Å; D501-K504 WeakPolarHBondContact OD1-CE 3.21Å; D501-K504 IonicContact OD1-NZ 3.75Å; D501-K504 PolarHBondContact OD1-NZ 3.24Å; L502-K504 VanDerWaalsContact C-N 3.32Å; L502-K504 PolarHBondContact O-N 2.91Å; K504-P506 VanDerWaalsContact O-CD 3.25Å; K504-P506 WeakPolarHBondContact O-CD 3.5Å
505D95.3Very high95.3Very high28 Ų2834.2 Ų34.215%0.1519%0.186CC..SBendtrans-85.2107174.7-175.2-5.5000110.6A503 R507 R508A503-D505 PolarHBondContact O-N 3.38Å; D505-R507 PolarHBondContact O-N 2.87Å; D505-R507 VanDerWaalsContact O-N 3.09Å; D505-R507 WeakPolarHBondContact OD1-CB 3.42Å; D505-R507 WeakPolarHBondContact OD1-CG 3.31Å; D505-R507 IonicContact OD1-CZ 3.58Å; D505-R507 PolarHBondContact OD1-N 3.42Å; D505-R507 VanDerWaalsContact OD1-N 3.09Å; D505-R507 IonicContact OD1-NE 3.93Å; D505-R507 PolarHBondContact OD1-NE 3.24Å; D505-R507 IonicContact OD1-NH2 3.31Å; D505-R507 IonicContact OD2-CZ 2.84Å; D505-R507 IonicContact OD2-NE 3.33Å; D505-R507 PolarHBondContact OD2-NE 3.19Å; D505-R507 IonicContact OD2-NH2 3Å; D505-R507 PolarHBondContact OD2-NH2 2.96Å; D505-R508 HydrophobicContact CB-CG 4.2Å; D505-R508 PolarHBondContact O-N 2.77Å
506P93.7Very high95.5Very high39 Ų3931.3 Ų31.325%0.25317%0.166SC..Hα-helixtrans-57.4-29.7-177.219.9-30.2000113.4K504 R508 I509 E510K504-P506 VanDerWaalsContact O-CD 3.25Å; K504-P506 WeakPolarHBondContact O-CD 3.5Å; P506-R508 PolarHBondContact O-N 3.36Å; P506-R508 VanDerWaalsContact O-N 3.16Å; P506-I509 PolarHBondContact O-N 3.08Å; P506-E510 WeakPolarHBondContact O-CG 3.38Å; P506-E510 PolarHBondContact O-N 3.11Å; P506-E510 VanDerWaalsContact O-N 3.11Å
507R94.6Very high95.5Very high130 Ų13028.3 Ų28.349%0.49115%0.147SC..Hα-helixtrans-62.8-25.3-175.2-60.2174.8-63.31705.2112.3L472 D505 C511L472-R507 HydrophobicContact CD1-CB 3.97Å; L472-R507 HydrophobicContact CD2-CB 3.91Å; D505-R507 PolarHBondContact O-N 2.87Å; D505-R507 VanDerWaalsContact O-N 3.09Å; D505-R507 WeakPolarHBondContact OD1-CB 3.42Å; D505-R507 WeakPolarHBondContact OD1-CG 3.31Å; D505-R507 IonicContact OD1-CZ 3.58Å; D505-R507 PolarHBondContact OD1-N 3.42Å; D505-R507 VanDerWaalsContact OD1-N 3.09Å; D505-R507 IonicContact OD1-NE 3.93Å; D505-R507 PolarHBondContact OD1-NE 3.24Å; D505-R507 IonicContact OD1-NH2 3.31Å; D505-R507 IonicContact OD2-CZ 2.84Å; D505-R507 IonicContact OD2-NE 3.33Å; D505-R507 PolarHBondContact OD2-NE 3.19Å; D505-R507 IonicContact OD2-NH2 3Å; D505-R507 PolarHBondContact OD2-NH2 2.96Å; R507-C511 WeakPolarHBondContact O-CB 3.28Å; R507-C511 PolarHBondContact O-N 2.89Å
508R96Very high95.5Very high17 Ų1726.5 Ų26.56%0.06413%0.13CC..Hα-helixtrans-70-44.3-179-66.6175.9174.2158.9-5111.9E465 F468 L502 D505 P506 C511 F512E465-R508 IonicContact OE1-NH2 2.74Å; F468-R508 HydrophobicContact CB-CG 3.89Å; F468-R508 HydrophobicContact CD1-CB 3.76Å; F468-R508 HydrophobicContact CD1-CG 3.7Å; F468-R508 HydrophobicContact CD2-CB 4.35Å; F468-R508 HydrophobicContact CD2-CG 3.98Å; F468-R508 HydrophobicContact CE1-CB 3.7Å; F468-R508 HydrophobicContact CE1-CG 4.15Å; F468-R508 HydrophobicContact CE2-CB 4.3Å; F468-R508 HydrophobicContact CE2-CG 4.4Å; F468-R508 HydrophobicContact CG-CB 4.1Å; F468-R508 HydrophobicContact CG-CG 3.6Å; F468-R508 HydrophobicContact CZ-CB 3.97Å; F468-R508 HydrophobicContact CZ-CG 4.48Å; L502-R508 VanDerWaalsContact CA-NH1 3.3Å; L502-R508 WeakPolarHBondContact O-CD 3.49Å; L502-R508 PolarHBondContact O-NH1 3.05Å; D505-R508 HydrophobicContact CB-CG 4.2Å; D505-R508 PolarHBondContact O-N 2.77Å; P506-R508 PolarHBondContact O-N 3.36Å; P506-R508 VanDerWaalsContact O-N 3.16Å; R508-C511 WeakPolarHBondContact O-CB 3.42Å; R508-C511 PolarHBondContact O-N 3.38Å; R508-F512 PolarHBondContact O-N 3.49Å
509I96.2Very high95.6Very high4 Ų428.4 Ų28.42%0.02114%0.138CC..Hα-helixtrans-71.2-41.7174.4-59.3-60.3000110.5P506 C511 F512 L513 L561 L564 R574 F575P506-I509 PolarHBondContact O-N 3.08Å; I509-C511 VanDerWaalsContact C-N 3.27Å; I509-C511 PolarHBondContact O-N 3.44Å; I509-F512 PolarHBondContact O-N 2.69Å; I509-L513 HydrophobicContact CG2-CD1 3.94Å; I509-L513 HydrophobicContact CG2-CG 4.24Å; I509-L513 WeakPolarHBondContact O-CB 2.88Å; I509-L513 WeakPolarHBondContact O-CG 3.27Å; I509-L513 PolarHBondContact O-N 3.01Å; I509-L561 HydrophobicContact CD1-CD2 4.37Å; I509-L564 HydrophobicContact CD1-CD1 4.49Å; I509-R574 HydrophobicContact CG1-CB 4.08Å; I509-F575 HydrophobicContact CG2-CB 4.3Å
510E94.8Very high95.6Very high22 Ų2228.3 Ų28.310%0.10314%0.138CC..Hα-helixtrans-56.5-41.7173.3-66.9177160.800111.8P506 F512 L513 S514 S535 Y536 Q578P506-E510 WeakPolarHBondContact O-CG 3.38Å; P506-E510 PolarHBondContact O-N 3.11Å; P506-E510 VanDerWaalsContact O-N 3.11Å; E510-F512 PolarHBondContact O-N 2.96Å; E510-L513 PolarHBondContact O-N 3.2Å; E510-S514 WeakPolarHBondContact O-CB 3.22Å; E510-S514 PolarHBondContact O-N 2.95Å; E510-S535 WeakPolarHBondContact OE1-CB 3.03Å; E510-S535 PolarHBondContact OE1-OG 3.32Å; E510-Y536 HydrophobicContact CB-CD1 3.65Å; E510-Y536 HydrophobicContact CB-CD2 4.49Å; E510-Y536 HydrophobicContact CB-CE1 3.97Å; E510-Y536 HydrophobicContact CB-CG 3.93Å; E510-Y536 HydrophobicContact CG-CD1 3.42Å; E510-Y536 VanDerWaalsContact CG-CD1 3.42Å; E510-Y536 HydrophobicContact CG-CE1 3.62Å; E510-Y536 HydrophobicContact CG-CG 4.21Å; E510-Q578 HydrophobicContact CG-CB 4.25Å; E510-Q578 HydrophobicContact CG-CG 3.95Å; E510-Q578 VanDerWaalsContact CG-NE2 3.33Å; E510-Q578 PolarHBondContact OE1-NE2 2.93Å
511C95.3Very high95.6Very high10 Ų1026.5 Ų26.57%0.06813%0.126CC..Hα-helixtrans-57.2-49.1177.5-178.80000111.5L472 R507 R508 I509 S514 Y515L472-C511 HydrophobicContact CD2-CB 3.91Å; R507-C511 WeakPolarHBondContact O-CB 3.28Å; R507-C511 PolarHBondContact O-N 2.89Å; R508-C511 WeakPolarHBondContact O-CB 3.42Å; R508-C511 PolarHBondContact O-N 3.38Å; I509-C511 VanDerWaalsContact C-N 3.27Å; I509-C511 PolarHBondContact O-N 3.44Å; C511-S514 WeakPolarHBondContact O-CB 3.2Å; C511-S514 PolarHBondContact O-N 3.29Å; C511-S514 PolarHBondContact O-OG 3.38Å; C511-Y515 WeakPolarHBondContact O-CD1 3.31Å; C511-Y515 PolarHBondContact O-N 2.88Å; C511-Y515 PolarHBondContact SG-OH 2.93Å
512F97.5Very high95.5Very high0 Ų024 Ų240%011%0.112CC..Hα-helixtrans-71.1-38.9178.6-75.61.8000112.9F468 L471 V484 I487 R508 I509 E510 S514 Y515 V516 T557 A560 L561 L564F468-F512 HydrophobicContact CE1-CD1 4.25Å; F468-F512 AromaticContact CE1-CE1 3.74Å; F468-F512 HydrophobicContact CE1-CE1 3.74Å; F468-F512 HydrophobicContact CE1-CE2 4.01Å; F468-F512 AromaticContact CE1-CZ 3.62Å; F468-F512 HydrophobicContact CE1-CZ 3.62Å; F468-F512 HydrophobicContact CZ-CE1 4.42Å; F468-F512 AromaticContact CZ-CE2 3.92Å; F468-F512 HydrophobicContact CZ-CE2 3.92Å; F468-F512 AromaticContact CZ-CZ 3.85Å; F468-F512 HydrophobicContact CZ-CZ 3.85Å; L471-F512 HydrophobicContact CD1-CE1 4.06Å; V484-F512 HydrophobicContact CG1-CD1 4.31Å; V484-F512 HydrophobicContact CG1-CE1 3.79Å; V484-F512 HydrophobicContact CG1-CZ 4.29Å; I487-F512 HydrophobicContact CB-CZ 4.04Å; I487-F512 HydrophobicContact CD1-CE1 4.24Å; I487-F512 HydrophobicContact CD1-CZ 3.61Å; I487-F512 HydrophobicContact CG1-CZ 4.42Å; I487-F512 HydrophobicContact CG2-CE2 3.89Å; I487-F512 HydrophobicContact CG2-CZ 3.87Å; R508-F512 PolarHBondContact O-N 3.49Å; I509-F512 PolarHBondContact O-N 2.69Å; E510-F512 PolarHBondContact O-N 2.96Å; F512-S514 PolarHBondContact O-N 3.35Å; F512-Y515 HydrophobicContact CD1-CD2 4.32Å; F512-Y515 HydrophobicContact CD1-CE2 4.38Å; F512-Y515 PolarHBondContact O-N 2.87Å; F512-Y515 VanDerWaalsContact O-N 3.16Å; F512-V516 WeakPolarHBondContact O-CG2 3.39Å; F512-V516 PolarHBondContact O-N 3.43Å; F512-T557 HydrophobicContact CB-CG2 3.78Å; F512-T557 HydrophobicContact CD1-CG2 4.45Å; F512-T557 HydrophobicContact CG-CG2 4.04Å; F512-T557 WeakPolarHBondContact O-CG2 3.44Å; F512-A560 HydrophobicContact CD2-CB 4.17Å; F512-A560 HydrophobicContact CE2-CB 3.49Å; F512-A560 VanDerWaalsContact CE2-CB 3.49Å; F512-A560 HydrophobicContact CZ-CB 4.16Å; F512-L561 HydrophobicContact CB-CD1 4.11Å; F512-L561 HydrophobicContact CB-CD2 3.71Å; F512-L561 HydrophobicContact CB-CG 3.83Å; F512-L561 HydrophobicContact CD2-CD2 3.97Å; F512-L561 HydrophobicContact CD2-CG 3.97Å; F512-L561 HydrophobicContact CG-CD2 4.38Å; F512-L561 HydrophobicContact CG-CG 4.41Å; F512-L564 HydrophobicContact CD2-CD1 3.95Å; F512-L564 HydrophobicContact CE2-CD1 3.67Å
513L96Very high95.2Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-60.3-36.7172.8-72177.9000111.7I509 E510 Y515 V516 A517 Y536 L561 F575 Q578 I583 Y584I509-L513 HydrophobicContact CG2-CD1 3.94Å; I509-L513 HydrophobicContact CG2-CG 4.24Å; I509-L513 WeakPolarHBondContact O-CB 2.88Å; I509-L513 WeakPolarHBondContact O-CG 3.27Å; I509-L513 PolarHBondContact O-N 3.01Å; E510-L513 PolarHBondContact O-N 3.2Å; L513-Y515 VanDerWaalsContact C-N 3.34Å; L513-Y515 PolarHBondContact O-N 3.37Å; L513-V516 PolarHBondContact O-N 2.9Å; L513-A517 WeakPolarHBondContact O-CB 3.3Å; L513-A517 PolarHBondContact O-N 3.07Å; L513-Y536 HydrophobicContact CB-CE2 4.19Å; L513-Y536 WeakPolarHBondContact CB-OH 3.31Å; L513-Y536 WeakPolarHBondContact CD1-OH 3.46Å; L513-L561 HydrophobicContact CD2-CD1 4.42Å; L513-F575 HydrophobicContact CD2-CD2 3.98Å; L513-F575 HydrophobicContact CD2-CE2 3.68Å; L513-Q578 HydrophobicContact CD1-CB 3.83Å; L513-Q578 WeakPolarHBondContact CD1-O 3.33Å; L513-I583 HydrophobicContact CB-CD1 3.95Å; L513-I583 HydrophobicContact CD2-CD1 4.2Å; L513-I583 HydrophobicContact CG-CD1 4.45Å; L513-Y584 HydrophobicContact CD2-CE2 4.42Å
514S94.6Very high95Very high18 Ų1831 Ų3113%0.12616%0.158CC..Hα-helixtrans-61.5-42.2175820000111.8E510 C511 F512 A517 E518 L540E510-S514 WeakPolarHBondContact O-CB 3.22Å; E510-S514 PolarHBondContact O-N 2.95Å; C511-S514 WeakPolarHBondContact O-CB 3.2Å; C511-S514 PolarHBondContact O-N 3.29Å; C511-S514 PolarHBondContact O-OG 3.38Å; F512-S514 PolarHBondContact O-N 3.35Å; S514-A517 PolarHBondContact O-N 3.05Å; S514-E518 WeakPolarHBondContact O-CB 3.29Å; S514-E518 WeakPolarHBondContact O-CG 3.38Å; S514-E518 PolarHBondContact O-N 3.44Å; S514-L540 VanDerWaalsContact CB-CD2 3.43Å
515Y95.8Very high94.7Very high10 Ų1026.4 Ų26.44%0.03914%0.139CC..Hα-helixtrans-68.7-39.2178.9-61-8.9000111.7K480 V484 C511 F512 L513 K519K480-Y515 HydrophobicContact CB-CE2 4.35Å; K480-Y515 HydrophobicContact CD-CD1 4.45Å; K480-Y515 HydrophobicContact CD-CE1 3.87Å; K480-Y515 HydrophobicContact CD-CE2 4.46Å; K480-Y515 VanDerWaalsContact CE-CE1 3.44Å; K480-Y515 HydrophobicContact CG-CE1 4.24Å; K480-Y515 HydrophobicContact CG-CE2 4.08Å; V484-Y515 HydrophobicContact CG1-CD2 3.9Å; V484-Y515 HydrophobicContact CG1-CE2 4Å; C511-Y515 WeakPolarHBondContact O-CD1 3.31Å; C511-Y515 PolarHBondContact O-N 2.88Å; C511-Y515 PolarHBondContact SG-OH 2.93Å; F512-Y515 HydrophobicContact CD1-CD2 4.32Å; F512-Y515 HydrophobicContact CD1-CE2 4.38Å; F512-Y515 PolarHBondContact O-N 2.87Å; F512-Y515 VanDerWaalsContact O-N 3.16Å; L513-Y515 VanDerWaalsContact C-N 3.34Å; L513-Y515 PolarHBondContact O-N 3.37Å; Y515-K519 WeakPolarHBondContact O-CB 3.12Å; Y515-K519 WeakPolarHBondContact O-CG 3.2Å; Y515-K519 PolarHBondContact O-N 2.79Å
516V97.2Very high93.9Very high0 Ų026.5 Ų26.50%014%0.141CC..Hα-helixtrans-61.8-46.1172.8176.70000110.2F512 L513 K519 C520 L554 T557 L558 L561 I583 Y584 V587F512-V516 WeakPolarHBondContact O-CG2 3.39Å; F512-V516 PolarHBondContact O-N 3.43Å; L513-V516 PolarHBondContact O-N 2.9Å; V516-K519 PolarHBondContact O-N 3.27Å; V516-C520 VanDerWaalsContact O-CB 3.26Å; V516-C520 WeakPolarHBondContact O-CB 3.4Å; V516-C520 PolarHBondContact O-N 3.09Å; V516-C520 PolarHBondContact O-SG 3.41Å; V516-L554 HydrophobicContact CB-CD1 4.44Å; V516-L554 HydrophobicContact CG1-CD1 4.4Å; V516-L554 HydrophobicContact CG2-CD1 4.13Å; V516-T557 HydrophobicContact CG2-CG2 3.75Å; V516-L558 HydrophobicContact CG1-CD2 4.41Å; V516-L558 HydrophobicContact CG2-CD2 3.92Å; V516-L561 HydrophobicContact CG2-CD1 4.07Å; V516-I583 HydrophobicContact CB-CG2 4.48Å; V516-I583 HydrophobicContact CG1-CG2 3.89Å; V516-Y584 HydrophobicContact CG1-CE2 4.49Å; V516-V587 HydrophobicContact CG1-CG2 3.66Å
517A94.9Very high93.1Very high1 Ų129.7 Ų29.71%0.00816%0.161CC..Hα-helixtrans-61.9-49.6179.700000112.2L513 S514 K519 C520 L521 L540 L542L513-A517 WeakPolarHBondContact O-CB 3.3Å; L513-A517 PolarHBondContact O-N 3.07Å; S514-A517 PolarHBondContact O-N 3.05Å; A517-K519 VanDerWaalsContact C-N 3.26Å; A517-K519 PolarHBondContact O-N 3.3Å; A517-C520 PolarHBondContact O-N 3.12Å; A517-L521 HydrophobicContact CB-CD1 4.05Å; A517-L521 HydrophobicContact CB-CG 4.47Å; A517-L521 WeakPolarHBondContact O-CB 3.46Å; A517-L521 PolarHBondContact O-N 3.48Å; A517-L540 HydrophobicContact CB-CD1 4.22Å; A517-L540 HydrophobicContact CB-CD2 4.38Å; A517-L542 HydrophobicContact CB-CD2 4.45Å
518E94.7Very high91.9Very high38 Ų3828.4 Ų28.418%0.17816%0.164CC..Hα-helixtrans-59.1-34.9179.1-74-176.6162.800113.3K480 S514 L540 R541K480-E518 IonicContact NZ-OE2 3.92Å; S514-E518 WeakPolarHBondContact O-CB 3.29Å; S514-E518 WeakPolarHBondContact O-CG 3.38Å; S514-E518 PolarHBondContact O-N 3.44Å; E518-L540 HydrophobicContact CG-CD2 4.24Å; E518-R541 PolarHBondContact OE1-N 3.38Å; E518-R541 VanDerWaalsContact OE1-N 3.1Å
519K96.1Very high90.7Very high40 Ų4027.7 Ų27.717%0.17416%0.161CC..Hα-helixtrans-80.5-36.1-179.7-66.4-71.2174.6176.70112.4Y515 V516 A517 R543 I549 D551 L554Y515-K519 WeakPolarHBondContact O-CB 3.12Å; Y515-K519 WeakPolarHBondContact O-CG 3.2Å; Y515-K519 PolarHBondContact O-N 2.79Å; V516-K519 PolarHBondContact O-N 3.27Å; A517-K519 VanDerWaalsContact C-N 3.26Å; A517-K519 PolarHBondContact O-N 3.3Å; K519-R543 PolarHBondContact O-NH2 2.96Å; K519-I549 HydrophobicContact CD-CB 3.96Å; K519-I549 HydrophobicContact CD-CG2 3.86Å; K519-I549 PolarHBondContact O-N 3.24Å; K519-D551 WeakPolarHBondContact CE-OD2 3.45Å; K519-D551 IonicContact NZ-OD2 3.97Å; K519-D551 PolarHBondContact NZ-OD2 3.06Å; K519-L554 HydrophobicContact CB-CB 4.47Å; K519-L554 HydrophobicContact CB-CD1 4.37Å; K519-L554 HydrophobicContact CB-CD2 4.27Å; K519-L554 HydrophobicContact CG-CB 4.45Å
520C96.9Very high89.3Confident0 Ų029.8 Ų29.80%018%0.184CC..Hα-helixtrans-103.8-36.5-166.9-57.90000114.4V516 A517 P548 L554 V587 R590 F591V516-C520 VanDerWaalsContact O-CB 3.26Å; V516-C520 WeakPolarHBondContact O-CB 3.4Å; V516-C520 PolarHBondContact O-N 3.09Å; V516-C520 PolarHBondContact O-SG 3.41Å; A517-C520 PolarHBondContact O-N 3.12Å; C520-P548 HydrophobicContact CB-CB 4.45Å; C520-L554 VanDerWaalsContact SG-CD2 3.57Å; C520-V587 HydrophobicContact CB-CG2 3.7Å; C520-R590 PolarHBondContact O-NE 3.06Å; C520-F591 HydrophobicContact CB-CE2 4.34Å
521L94.8Very high88Confident0 Ų032 Ų320%020%0.202CC..  trans-97.2156.3-167.2-53.2-173.1000112.4A517 D525 L529 L542 I583 K586 V587A517-L521 HydrophobicContact CB-CD1 4.05Å; A517-L521 HydrophobicContact CB-CG 4.47Å; A517-L521 WeakPolarHBondContact O-CB 3.46Å; A517-L521 PolarHBondContact O-N 3.48Å; L521-D525 WeakPolarHBondContact CA-OD2 3.45Å; L521-D525 HydrophobicContact CB-CB 4.23Å; L521-L529 HydrophobicContact CD1-CD1 4.25Å; L521-L542 HydrophobicContact CB-CD2 4.44Å; L521-I583 HydrophobicContact CD1-CG2 4.44Å; L521-K586 HydrophobicContact CD2-CB 3.48Å; L521-K586 VanDerWaalsContact CD2-CB 3.48Å; L521-V587 HydrophobicContact CD2-CG2 4.39Å
522L93.8Very high86.6Confident18 Ų1833.1 Ų33.19%0.09421%0.212CC..BIsolated β-bridgetrans-108.1164.6172.5-59-179.9000110.9S524 D525 R543L522-S524 PolarHBondContact O-N 3.44Å; L522-D525 PolarHBondContact N-OD2 2.98Å; L522-D525 WeakPolarHBondContact O-CB 3.42Å; L522-D525 PolarHBondContact O-N 3.07Å; L522-R543 CarbonylContact C-O 3.59Å; L522-R543 WeakPolarHBondContact CA-O 3.39Å; L522-R543 HydrophobicContact CD2-CB 4.02Å
523V90.6Very high85.4Confident76 Ų7633.1 Ų33.146%0.46121%0.212SC..G310 helixtrans-55.2-32.6172.3176.80000111.6D525 V526 L542 R543 T544V523-D525 VanDerWaalsContact C-N 3.25Å; V523-D525 PolarHBondContact O-N 3.41Å; V523-V526 VanDerWaalsContact O-CB 3.24Å; V523-V526 WeakPolarHBondContact O-CB 3.35Å; V523-V526 VanDerWaalsContact O-CG2 3.29Å; V523-V526 WeakPolarHBondContact O-CG2 3.41Å; V523-V526 PolarHBondContact O-N 3.3Å; V523-L542 HydrophobicContact CG2-CB 4.01Å; V523-R543 PolarHBondContact N-O 3.29Å; V523-T544 HydrophobicContact CG2-CG2 4.41Å
524S90.7Very high84.2Confident81 Ų8142 Ų4257%0.56625%0.245SC*.G310 helixtrans-67.5-21.3175.8580000114.2L522 V526 P527L522-S524 PolarHBondContact O-N 3.44Å; S524-V526 VanDerWaalsContact C-N 3.26Å; S524-P527 WeakPolarHBondContact O-CD 3.37Å
525D88.8Confident83.4Confident22 Ų2244.3 Ų44.312%0.11826%0.261CS..G310 helixtrans-80.1-12.7177.7-62.6-48.7000112.1L521 L522 V523L521-D525 WeakPolarHBondContact CA-OD2 3.45Å; L521-D525 HydrophobicContact CB-CB 4.23Å; L522-D525 PolarHBondContact N-OD2 2.98Å; L522-D525 WeakPolarHBondContact O-CB 3.42Å; L522-D525 PolarHBondContact O-N 3.07Å; V523-D525 VanDerWaalsContact C-N 3.25Å; V523-D525 PolarHBondContact O-N 3.41Å
526V79.5Confident82.8Confident31 Ų3144.3 Ų44.319%0.18826%0.261CS..SBendtrans-72.9-44-170.3-179.60000115.5V523 S524 D528 L529 M537 L542V523-V526 VanDerWaalsContact O-CB 3.24Å; V523-V526 WeakPolarHBondContact O-CB 3.35Å; V523-V526 VanDerWaalsContact O-CG2 3.29Å; V523-V526 WeakPolarHBondContact O-CG2 3.41Å; V523-V526 PolarHBondContact O-N 3.3Å; S524-V526 VanDerWaalsContact C-N 3.26Å; V526-D528 PolarHBondContact O-N 3.48Å; V526-L529 HydrophobicContact CB-CD1 4.45Å; V526-L529 HydrophobicContact CG2-CD1 4.4Å; V526-L529 WeakPolarHBondContact O-CB 3.2Å; V526-L529 PolarHBondContact O-N 3.41Å; V526-M537 HydrophobicContact CG1-CE 3.38Å; V526-M537 HydrophobicContact CG1-SD 3.85Å; V526-L542 HydrophobicContact CG2-CD1 3.15Å
527P76.4Confident81.7Confident106 Ų10646.7 Ų46.769%0.68827%0.273SS*.G310 helixtrans-55.3-29.3-175.5-26.435.8000113.1S524S524-P527 WeakPolarHBondContact O-CD 3.37Å
528D69.4Low80.9Confident103 Ų10352 Ų5255%0.55131%0.308SS*.G310 helixtrans-82.3-9.9-179.5-60.7-23.1000114.1V526 G530 K586V526-D528 PolarHBondContact O-N 3.48Å; D528-G530 VanDerWaalsContact C-N 3.27Å; D528-G530 PolarHBondContact O-N 3.33Å; D528-K586 IonicContact OD2-NZ 3.35Å; D528-K586 PolarHBondContact OD2-NZ 3.23Å
529L70.5Confident80.2Confident1 Ų157.5 Ų57.51%0.00533%0.333CS..G310 helixtrans-77.4-11.7-173.3-69.9161.8000113.5L521 V526 L533 M537 I582 I583L521-L529 HydrophobicContact CD1-CD1 4.25Å; V526-L529 HydrophobicContact CB-CD1 4.45Å; V526-L529 HydrophobicContact CG2-CD1 4.4Å; V526-L529 WeakPolarHBondContact O-CB 3.2Å; V526-L529 PolarHBondContact O-N 3.41Å; L529-L533 HydrophobicContact CB-CD1 3.57Å; L529-L533 HydrophobicContact CB-CG 4.1Å; L529-L533 HydrophobicContact CD1-CD1 3.65Å; L529-L533 HydrophobicContact CD2-CD1 3.78Å; L529-L533 HydrophobicContact CG-CD1 3.84Å; L529-M537 HydrophobicContact CB-CE 3.73Å; L529-M537 HydrophobicContact CD1-CE 4.08Å; L529-I582 HydrophobicContact CD2-CB 4.18Å; L529-I582 HydrophobicContact CD2-CG2 3.6Å; L529-I583 HydrophobicContact CD2-CG1 4.16Å
530G66.4Low79.8Confident48 Ų4856.8 Ų56.850%0.49533%0.331SS..G310 helixtrans63.9-164.2168.800000115.9D528 A532D528-G530 VanDerWaalsContact C-N 3.27Å; D528-G530 PolarHBondContact O-N 3.33Å; G530-A532 VanDerWaalsContact C-N 3.25Å; G530-A532 PolarHBondContact O-N 2.88Å
531S69.2Low79.4Confident70 Ų7065 Ų6549%0.4936%0.362SS..G310 helixtrans-65.7-20.7-177.445.40000115.2L533 R534S531-L533 VanDerWaalsContact C-N 3.3Å; S531-L533 PolarHBondContact O-N 2.79Å; S531-R534 WeakPolarHBondContact O-CG 3.47Å; S531-R534 PolarHBondContact O-N 3.5Å; S531-R534 PolarHBondContact O-NE 3.04Å
532A64.9Low79.2Confident32 Ų3266.6 Ų66.626%0.26437%0.371SS..G310 helixtrans-68.5-25.7-170.100000113.5G530G530-A532 VanDerWaalsContact C-N 3.25Å; G530-A532 PolarHBondContact O-N 2.88Å
533L71.3Confident79.2Confident1 Ų169 Ų691%0.00538%0.378CS..G310 helixtrans-964.7-178-56.9-164.9000114.2L529 S531 S535 Y536 M537 Q578 I583L529-L533 HydrophobicContact CB-CD1 3.57Å; L529-L533 HydrophobicContact CB-CG 4.1Å; L529-L533 HydrophobicContact CD1-CD1 3.65Å; L529-L533 HydrophobicContact CD2-CD1 3.78Å; L529-L533 HydrophobicContact CG-CD1 3.84Å; S531-L533 VanDerWaalsContact C-N 3.3Å; S531-L533 PolarHBondContact O-N 2.79Å; L533-S535 PolarHBondContact O-N 3.27Å; L533-Y536 HydrophobicContact CD2-CE1 3.97Å; L533-Y536 HydrophobicContact CD2-CE2 4.42Å; L533-Y536 WeakPolarHBondContact CD2-OH 3.47Å; L533-Y536 PolarHBondContact O-N 2.78Å; L533-M537 HydrophobicContact CB-CB 3.93Å; L533-M537 HydrophobicContact CB-CE 4.12Å; L533-M537 HydrophobicContact CD1-CE 4.12Å; L533-M537 WeakPolarHBondContact O-CB 3.34Å; L533-M537 PolarHBondContact O-N 3.38Å; L533-Q578 WeakPolarHBondContact CD2-O 3.46Å; L533-I583 HydrophobicContact CD1-CD1 4.29Å; L533-I583 HydrophobicContact CD1-CG1 4.38Å; L533-I583 HydrophobicContact CD2-CD1 4.05Å
534R71.9Confident79.4Confident186 Ų18670.6 Ų70.670%0.70239%0.388SS*.THydrogen-bonded Turntrans-56.5-27.6-170.4-81-171.5-73.3-132.712.1114.6S531S531-R534 WeakPolarHBondContact O-CG 3.47Å; S531-R534 PolarHBondContact O-N 3.5Å; S531-R534 PolarHBondContact O-NE 3.04Å
535S78.4Confident79.6Confident66 Ų6673.9 Ų73.946%0.46240%0.395SS..THydrogen-bonded Turntrans-70.7-38.6-17847.90000113.6E510 L533E510-S535 WeakPolarHBondContact OE1-CB 3.03Å; E510-S535 PolarHBondContact OE1-OG 3.32Å; L533-S535 PolarHBondContact O-N 3.27Å
536Y82.2Confident79.8Confident10 Ų1075 Ų754%0.03941%0.411CS..THydrogen-bonded Turntrans-123.9-11.1-173.166.1-85.3000114.7E510 L513 L533 P538 Q539 L540 Q578 I583E510-Y536 HydrophobicContact CB-CD1 3.65Å; E510-Y536 HydrophobicContact CB-CD2 4.49Å; E510-Y536 HydrophobicContact CB-CE1 3.97Å; E510-Y536 HydrophobicContact CB-CG 3.93Å; E510-Y536 HydrophobicContact CG-CD1 3.42Å; E510-Y536 VanDerWaalsContact CG-CD1 3.42Å; E510-Y536 HydrophobicContact CG-CE1 3.62Å; E510-Y536 HydrophobicContact CG-CG 4.21Å; L513-Y536 HydrophobicContact CB-CE2 4.19Å; L513-Y536 WeakPolarHBondContact CB-OH 3.31Å; L513-Y536 WeakPolarHBondContact CD1-OH 3.46Å; L533-Y536 HydrophobicContact CD2-CE1 3.97Å; L533-Y536 HydrophobicContact CD2-CE2 4.42Å; L533-Y536 WeakPolarHBondContact CD2-OH 3.47Å; L533-Y536 PolarHBondContact O-N 2.78Å; Y536-P538 VanDerWaalsContact C-CD 3.42Å; Y536-Q539 PolarHBondContact O-N 3.34Å; Y536-Q539 VanDerWaalsContact O-N 3.12Å; Y536-L540 HydrophobicContact CD2-CD2 4.28Å; Y536-Q578 HydrophobicContact CE1-CB 4.37Å; Y536-Q578 PolarHBondContact OH-O 2.97Å; Y536-I583 WeakPolarHBondContact OH-CD1 3.39Å
537M74.9Confident80.5Confident50 Ų5075.9 Ų75.925%0.24642%0.422CS..G310 helixtrans-53.6-42.1176.5-176.2-170.4-98.800114.1V526 L529 L533 Q539 L540V526-M537 HydrophobicContact CG1-CE 3.38Å; V526-M537 HydrophobicContact CG1-SD 3.85Å; L529-M537 HydrophobicContact CB-CE 3.73Å; L529-M537 HydrophobicContact CD1-CE 4.08Å; L533-M537 HydrophobicContact CB-CB 3.93Å; L533-M537 HydrophobicContact CB-CE 4.12Å; L533-M537 HydrophobicContact CD1-CE 4.12Å; L533-M537 WeakPolarHBondContact O-CB 3.34Å; L533-M537 PolarHBondContact O-N 3.38Å; M537-Q539 PolarHBondContact O-N 3.45Å; M537-L540 HydrophobicContact CB-CD1 4.47Å; M537-L540 HydrophobicContact CG-CD1 4.38Å; M537-L540 WeakPolarHBondContact O-CB 3.22Å; M537-L540 PolarHBondContact O-N 2.88Å
538P76.8Confident81.5Confident113 Ų11371.2 Ų71.273%0.73439%0.391SS*.G310 helixtrans-60.6-15.7-179.4-24.635.4000114.6Y536Y536-P538 VanDerWaalsContact C-CD 3.42Å
539Q81.3Confident82.8Confident154 Ų15469.2 Ų69.272%0.7238%0.38SS*.G310 helixtrans-96.3-10.1-178.3-54.8-179.820.800112.8Y536 M537 R541Y536-Q539 PolarHBondContact O-N 3.34Å; Y536-Q539 VanDerWaalsContact O-N 3.12Å; M537-Q539 PolarHBondContact O-N 3.45Å; Q539-R541 PolarHBondContact O-N 3.37Å
540L86.3Confident84.1Confident24 Ų2471 Ų7113%0.12639%0.388CS..  trans-72.7127.2-175.2-63177.3000111.8S514 A517 E518 Y536 M537 L542S514-L540 VanDerWaalsContact CB-CD2 3.43Å; A517-L540 HydrophobicContact CB-CD1 4.22Å; A517-L540 HydrophobicContact CB-CD2 4.38Å; E518-L540 HydrophobicContact CG-CD2 4.24Å; Y536-L540 HydrophobicContact CD2-CD2 4.28Å; M537-L540 HydrophobicContact CB-CD1 4.47Å; M537-L540 HydrophobicContact CG-CD1 4.38Å; M537-L540 WeakPolarHBondContact O-CB 3.22Å; M537-L540 PolarHBondContact O-N 2.88Å; L540-L542 HydrophobicContact CB-CD1 4.49Å; L540-L542 HydrophobicContact CB-CD2 4.21Å; L540-L542 HydrophobicContact CB-CG 3.99Å; L540-L542 PolarHBondContact O-N 3.13Å
541R88.6Confident85.5Confident173 Ų17370.9 Ų70.965%0.65338%0.376SS*.  trans-93.379.8171.6-64-173.3-173.3140.310.9111D475 E518 Q539D475-R541 IonicContact OD2-CZ 3.53Å; D475-R541 IonicContact OD2-NH1 3.51Å; D475-R541 PolarHBondContact OD2-NH1 2.98Å; D475-R541 IonicContact OD2-NH2 2.79Å; D475-R541 PolarHBondContact OD2-NH2 2.9Å; E518-R541 PolarHBondContact OE1-N 3.38Å; E518-R541 VanDerWaalsContact OE1-N 3.1Å; Q539-R541 PolarHBondContact O-N 3.37Å
542L91.6Very high86.8Confident34 Ų3470.8 Ų70.818%0.17837%0.373CS..  trans-82.9144.9-179.7-58179000112A517 L521 V523 V526 L540A517-L542 HydrophobicContact CB-CD2 4.45Å; L521-L542 HydrophobicContact CB-CD2 4.44Å; V523-L542 HydrophobicContact CG2-CB 4.01Å; V526-L542 HydrophobicContact CG2-CD1 3.15Å; L540-L542 HydrophobicContact CB-CD1 4.49Å; L540-L542 HydrophobicContact CB-CD2 4.21Å; L540-L542 HydrophobicContact CB-CG 3.99Å; L540-L542 PolarHBondContact O-N 3.13Å
543R94.1Very high88.3Confident68 Ų6869.8 Ų69.826%0.25736%0.363SS..BIsolated β-bridgetrans-82.3152.1176-64.9178.8-69.9148.22.2110.3K519 L522 V523 A547 I549K519-R543 PolarHBondContact O-NH2 2.96Å; L522-R543 CarbonylContact C-O 3.59Å; L522-R543 WeakPolarHBondContact CA-O 3.39Å; L522-R543 HydrophobicContact CD2-CB 4.02Å; V523-R543 PolarHBondContact N-O 3.29Å; R543-A547 VanDerWaalsContact CZ-O 3.31Å; R543-A547 PolarHBondContact NH1-O 3.02Å; R543-A547 PolarHBondContact NH2-O 3.26Å; R543-I549 VanDerWaalsContact CZ-CD1 3.43Å
544T93.6Very high89.6Confident109 Ų10969.8 Ų69.867%0.66936%0.363SS*.SBendtrans-78.5-34175.847.30000112.2V523V523-T544 HydrophobicContact CG2-CG2 4.41Å
545E94.6Very high90.9Very high151 Ų15165 Ų6571%0.70635%0.345SS*.SBendtrans-150.9173.8-175.663.7-175171.300112.5
546G94.5Very high91.8Very high44 Ų4465.1 Ų65.145%0.45434%0.337SS..SBendtrans105.6171.5175.500000114.5R590G546-R590 PolarHBondContact O-NH2 3.15Å
547A94.6Very high92.6Very high50 Ų5064.7 Ų64.741%0.41334%0.336SS..  trans-73.5156.8176.500000112.1R543R543-A547 VanDerWaalsContact CZ-O 3.31Å; R543-A547 PolarHBondContact NH1-O 3.02Å; R543-A547 PolarHBondContact NH2-O 3.26Å
548P96.8Very high93.7Very high8 Ų862.3 Ų62.35%0.05232%0.324CS..  trans-62141.8173.729.3-36.1000111.1C520 F550 F591 Q594C520-P548 HydrophobicContact CB-CB 4.45Å; P548-F550 PolarHBondContact O-N 3.03Å; P548-F591 HydrophobicContact CB-CD2 4.08Å; P548-F591 HydrophobicContact CB-CE1 4.26Å; P548-F591 HydrophobicContact CB-CE2 3.44Å; P548-F591 VanDerWaalsContact CB-CE2 3.44Å; P548-F591 HydrophobicContact CB-CZ 3.55Å; P548-F591 HydrophobicContact CG-CD1 4.17Å; P548-F591 HydrophobicContact CG-CD2 3.95Å; P548-F591 HydrophobicContact CG-CE1 3.93Å; P548-F591 HydrophobicContact CG-CE2 3.73Å; P548-F591 HydrophobicContact CG-CG 4.18Å; P548-F591 HydrophobicContact CG-CZ 3.72Å; P548-Q594 HydrophobicContact CG-CG 4.04Å
549I96.2Very high94.7Very high61 Ų6157.7 Ų57.731%0.31330%0.295SS..  trans-88110.3-178.6-66161.2000109.4K519 R543 D551 L554K519-I549 HydrophobicContact CD-CB 3.96Å; K519-I549 HydrophobicContact CD-CG2 3.86Å; K519-I549 PolarHBondContact O-N 3.24Å; R543-I549 VanDerWaalsContact CZ-CD1 3.43Å; I549-D551 HydrophobicContact CG2-CB 4.17Å; I549-L554 VanDerWaalsContact O-CD2 3.26Å; I549-L554 WeakPolarHBondContact O-CD2 3.47Å
550F97.3Very high95.5Very high39 Ų3950.4 Ų50.417%0.17126%0.26CS..  trans-100.280176.3-173.7-122.3000112.1P548 L554 R555 F591 T598 H601 V602P548-F550 PolarHBondContact O-N 3.03Å; F550-L554 HydrophobicContact CD2-CD2 4.11Å; F550-R555 VanDerWaalsContact CD1-CZ 3.43Å; F550-R555 HydrophobicContact CD2-CG 4.26Å; F550-R555 HydrophobicContact CE1-CG 4.39Å; F550-R555 HydrophobicContact CE2-CG 3.47Å; F550-R555 VanDerWaalsContact CE2-CG 3.47Å; F550-R555 HydrophobicContact CZ-CG 3.54Å; F550-R555 VanDerWaalsContact CZ-CZ 3.49Å; F550-R555 VanDerWaalsContact CZ-NE 3.32Å; F550-R555 PolarHBondContact O-NH1 3Å; F550-F591 HydrophobicContact CB-CE1 4.04Å; F550-F591 HydrophobicContact CB-CZ 4.29Å; F550-F591 HydrophobicContact CD2-CE1 4.35Å; F550-F591 HydrophobicContact CD2-CZ 4.5Å; F550-F591 HydrophobicContact CG-CE1 4.37Å; F550-T598 HydrophobicContact CB-CG2 3.79Å; F550-T598 HydrophobicContact CD1-CG2 3.28Å; F550-T598 HydrophobicContact CD2-CG2 4.19Å; F550-T598 HydrophobicContact CE1-CG2 3.79Å; F550-T598 HydrophobicContact CG-CG2 3.5Å; F550-T598 HydrophobicContact CZ-CG2 4.47Å; F550-H601 AromaticContact CE2-CD2 3.73Å; F550-H601 HydrophobicContact CZ-CB 3.83Å; F550-H601 AromaticContact CZ-CD2 3.44Å; F550-H601 VanDerWaalsContact CZ-CD2 3.44Å; F550-H601 WeakPolarHBondContact CZ-CD2 3.44Å; F550-H601 AromaticContact CZ-CG 3.64Å; F550-V602 HydrophobicContact CD2-CG2 3.77Å; F550-V602 HydrophobicContact CE2-CG2 3.63Å; F550-V602 HydrophobicContact CZ-CG2 4.45Å
551D96.4Very high96.1Very high45 Ų4549.2 Ų49.224%0.24125%0.254CS..  trans-106.2-178.417868.312.7000112.6K519 I549 T553 L554 R555K519-D551 WeakPolarHBondContact CE-OD2 3.45Å; K519-D551 IonicContact NZ-OD2 3.97Å; K519-D551 PolarHBondContact NZ-OD2 3.06Å; I549-D551 HydrophobicContact CG2-CB 4.17Å; D551-T553 VanDerWaalsContact C-N 3.26Å; D551-T553 PolarHBondContact O-N 3.37Å; D551-T553 WeakPolarHBondContact OD1-CA 3.38Å; D551-T553 WeakPolarHBondContact OD1-CB 3.37Å; D551-T553 PolarHBondContact OD1-N 3.02Å; D551-L554 PolarHBondContact O-N 2.89Å; D551-L554 PolarHBondContact OD1-N 2.87Å; D551-R555 WeakPolarHBondContact O-CG 3.25Å; D551-R555 PolarHBondContact O-N 3.37Å; D551-R555 VanDerWaalsContact O-N 3.15Å; D551-R555 PolarHBondContact O-NH1 3.47Å
552T95.8Very high96.6Very high69 Ų6942.3 Ų42.342%0.42323%0.228SC..Hα-helixtrans-60.2-35.9177.7-52.30000112.4R481 R555 F556R481-T552 HydrophobicContact CG-CG2 4.48Å; T552-R555 PolarHBondContact O-N 3.43Å; T552-F556 HydrophobicContact CG2-CD2 3.48Å; T552-F556 VanDerWaalsContact CG2-CD2 3.48Å; T552-F556 HydrophobicContact CG2-CE2 3.22Å; T552-F556 HydrophobicContact CG2-CZ 4.29Å; T552-F556 WeakPolarHBondContact O-CD2 3.46Å; T552-F556 PolarHBondContact O-N 3.15Å; T552-F556 VanDerWaalsContact O-N 3.07Å
553T97.5Very high96.9Very high11 Ų1142.5 Ų42.57%0.06723%0.229CC..Hα-helixtrans-63.2-50.1178.6-56.30000109.9V484 D551 R555 F556 T557V484-T553 HydrophobicContact CG2-CG2 4.12Å; D551-T553 VanDerWaalsContact C-N 3.26Å; D551-T553 PolarHBondContact O-N 3.37Å; D551-T553 WeakPolarHBondContact OD1-CA 3.38Å; D551-T553 WeakPolarHBondContact OD1-CB 3.37Å; D551-T553 PolarHBondContact OD1-N 3.02Å; T553-R555 PolarHBondContact O-N 2.82Å; T553-F556 PolarHBondContact O-N 2.75Å; T553-T557 WeakPolarHBondContact O-CB 3.39Å; T553-T557 PolarHBondContact O-N 2.74Å; T553-T557 PolarHBondContact O-OG1 3.44Å
554L98.3Very high97.1Very high1 Ų139.6 Ų39.61%0.00522%0.219CC..Hα-helixtrans-61-45.1178.3-179.160.3000112.1V516 K519 C520 I549 F550 D551 F556 T557 L558 F591V516-L554 HydrophobicContact CB-CD1 4.44Å; V516-L554 HydrophobicContact CG1-CD1 4.4Å; V516-L554 HydrophobicContact CG2-CD1 4.13Å; K519-L554 HydrophobicContact CB-CB 4.47Å; K519-L554 HydrophobicContact CB-CD1 4.37Å; K519-L554 HydrophobicContact CB-CD2 4.27Å; K519-L554 HydrophobicContact CG-CB 4.45Å; C520-L554 VanDerWaalsContact SG-CD2 3.57Å; I549-L554 VanDerWaalsContact O-CD2 3.26Å; I549-L554 WeakPolarHBondContact O-CD2 3.47Å; F550-L554 HydrophobicContact CD2-CD2 4.11Å; D551-L554 PolarHBondContact O-N 2.89Å; D551-L554 PolarHBondContact OD1-N 2.87Å; L554-F556 VanDerWaalsContact C-N 3.33Å; L554-F556 PolarHBondContact O-N 3.38Å; L554-T557 PolarHBondContact O-N 2.97Å; L554-L558 HydrophobicContact CD1-CD1 4.12Å; L554-L558 HydrophobicContact CD1-CD2 4.37Å; L554-L558 HydrophobicContact CD1-CG 3.96Å; L554-L558 HydrophobicContact CG-CD1 4.12Å; L554-L558 HydrophobicContact CG-CG 4.37Å; L554-L558 WeakPolarHBondContact O-CG 3.43Å; L554-L558 PolarHBondContact O-N 3.4Å; L554-F591 HydrophobicContact CD2-CE2 4.36Å; L554-F591 HydrophobicContact CD2-CZ 3.93Å
555R98.2Very high97.3Very high84 Ų8434.4 Ų34.432%0.31719%0.187SC..Hα-helixtrans-55-47.2177.8-73.6177.9-17877.7-10.8112.2F550 D551 T552 T553 S559F550-R555 VanDerWaalsContact CD1-CZ 3.43Å; F550-R555 HydrophobicContact CD2-CG 4.26Å; F550-R555 HydrophobicContact CE1-CG 4.39Å; F550-R555 HydrophobicContact CE2-CG 3.47Å; F550-R555 VanDerWaalsContact CE2-CG 3.47Å; F550-R555 HydrophobicContact CZ-CG 3.54Å; F550-R555 VanDerWaalsContact CZ-CZ 3.49Å; F550-R555 VanDerWaalsContact CZ-NE 3.32Å; F550-R555 PolarHBondContact O-NH1 3Å; D551-R555 WeakPolarHBondContact O-CG 3.25Å; D551-R555 PolarHBondContact O-N 3.37Å; D551-R555 VanDerWaalsContact O-N 3.15Å; D551-R555 PolarHBondContact O-NH1 3.47Å; T552-R555 PolarHBondContact O-N 3.43Å; T553-R555 PolarHBondContact O-N 2.82Å; R555-S559 PolarHBondContact O-N 3.42Å; R555-S559 VanDerWaalsContact O-N 3.15Å; R555-S559 PolarHBondContact O-OG 3.34Å
556F98.3Very high97.4Very high69 Ų6928.5 Ų28.530%0.30316%0.161SC..Hα-helixtrans-73.7-36.1178.7-73.3-49.5000112.9V484 A485 S488 T552 T553 L554 L558 S559 A560V484-F556 HydrophobicContact CB-CB 4.09Å; V484-F556 HydrophobicContact CG2-CB 3.61Å; A485-F556 HydrophobicContact CB-CD1 4.45Å; A485-F556 HydrophobicContact CB-CD2 3.68Å; A485-F556 HydrophobicContact CB-CE2 3.77Å; A485-F556 HydrophobicContact CB-CG 4.05Å; A485-F556 HydrophobicContact CB-CZ 4.25Å; S488-F556 WeakPolarHBondContact OG-CD1 3.32Å; T552-F556 HydrophobicContact CG2-CD2 3.48Å; T552-F556 VanDerWaalsContact CG2-CD2 3.48Å; T552-F556 HydrophobicContact CG2-CE2 3.22Å; T552-F556 HydrophobicContact CG2-CZ 4.29Å; T552-F556 WeakPolarHBondContact O-CD2 3.46Å; T552-F556 PolarHBondContact O-N 3.15Å; T552-F556 VanDerWaalsContact O-N 3.07Å; T553-F556 PolarHBondContact O-N 2.75Å; L554-F556 VanDerWaalsContact C-N 3.33Å; L554-F556 PolarHBondContact O-N 3.38Å; F556-L558 PolarHBondContact O-N 3.16Å; F556-S559 PolarHBondContact O-N 3.41Å; F556-A560 WeakPolarHBondContact O-CB 3.46Å; F556-A560 PolarHBondContact O-N 2.67Å
557T98.6Very high97.5Very high1 Ų128.3 Ų28.31%0.00615%0.148CC..Hα-helixtrans-61.4-45.2175-57.80000111.7V484 F512 V516 T553 L554 A560 L561V484-T557 WeakPolarHBondContact CG1-OG1 3.46Å; F512-T557 HydrophobicContact CB-CG2 3.78Å; F512-T557 HydrophobicContact CD1-CG2 4.45Å; F512-T557 HydrophobicContact CG-CG2 4.04Å; F512-T557 WeakPolarHBondContact O-CG2 3.44Å; V516-T557 HydrophobicContact CG2-CG2 3.75Å; T553-T557 WeakPolarHBondContact O-CB 3.39Å; T553-T557 PolarHBondContact O-N 2.74Å; T553-T557 PolarHBondContact O-OG1 3.44Å; L554-T557 PolarHBondContact O-N 2.97Å; T557-A560 PolarHBondContact O-N 3.39Å; T557-L561 HydrophobicContact CG2-CD1 4.36Å; T557-L561 WeakPolarHBondContact O-CB 3.43Å; T557-L561 WeakPolarHBondContact O-CG 3.45Å; T557-L561 PolarHBondContact O-N 2.9Å
558L98.7Very high97.6Very high1 Ų126 Ų261%0.00513%0.129CC..Hα-helixtrans-63.8-41.9176.8-66.5176000111.6V516 L554 F556 W562 Y584 V602 K605V516-L558 HydrophobicContact CG1-CD2 4.41Å; V516-L558 HydrophobicContact CG2-CD2 3.92Å; L554-L558 HydrophobicContact CD1-CD1 4.12Å; L554-L558 HydrophobicContact CD1-CD2 4.37Å; L554-L558 HydrophobicContact CD1-CG 3.96Å; L554-L558 HydrophobicContact CG-CD1 4.12Å; L554-L558 HydrophobicContact CG-CG 4.37Å; L554-L558 WeakPolarHBondContact O-CG 3.43Å; L554-L558 PolarHBondContact O-N 3.4Å; F556-L558 PolarHBondContact O-N 3.16Å; L558-W562 PolarHBondContact O-N 3.19Å; L558-W562 VanDerWaalsContact O-N 3.08Å; L558-Y584 HydrophobicContact CD2-CE2 4.45Å; L558-V602 HydrophobicContact CD1-CG1 4.27Å; L558-V602 HydrophobicContact CD1-CG2 4.32Å; L558-K605 HydrophobicContact CB-CB 3.87Å; L558-K605 HydrophobicContact CB-CG 4.39Å; L558-K605 HydrophobicContact CD1-CB 4.39Å
559S98.2Very high97.6Very high16 Ų1628.9 Ų28.911%0.11215%0.147CC..Hα-helixtrans-66.1-39.3176.7-60.10000112.4R555 F556 W562 N563 K605R555-S559 PolarHBondContact O-N 3.42Å; R555-S559 VanDerWaalsContact O-N 3.15Å; R555-S559 PolarHBondContact O-OG 3.34Å; F556-S559 PolarHBondContact O-N 3.41Å; S559-W562 PolarHBondContact O-N 3.39Å; S559-N563 PolarHBondContact O-N 2.96Å; S559-K605 VanDerWaalsContact OG-CE 3.29Å; S559-K605 WeakPolarHBondContact OG-CE 3.26Å; S559-K605 PolarHBondContact OG-NZ 3.12Å; S559-K605 VanDerWaalsContact OG-NZ 3.15Å
560A98.3Very high97.7Very high0 Ų028.4 Ų28.40%014%0.144CC..Hα-helixtrans-66.4-44.5177.300000111.7I487 F512 F556 T557 W562 N563 L564I487-A560 HydrophobicContact CG2-CB 4.15Å; F512-A560 HydrophobicContact CD2-CB 4.17Å; F512-A560 HydrophobicContact CE2-CB 3.49Å; F512-A560 VanDerWaalsContact CE2-CB 3.49Å; F512-A560 HydrophobicContact CZ-CB 4.16Å; F556-A560 WeakPolarHBondContact O-CB 3.46Å; F556-A560 PolarHBondContact O-N 2.67Å; T557-A560 PolarHBondContact O-N 3.39Å; A560-W562 VanDerWaalsContact C-N 3.33Å; A560-W562 PolarHBondContact O-N 2.86Å; A560-N563 PolarHBondContact O-N 3.37Å; A560-L564 WeakPolarHBondContact O-CB 3.47Å; A560-L564 WeakPolarHBondContact O-CG 3.37Å; A560-L564 PolarHBondContact O-N 3.49Å
561L98.6Very high97.7Very high0 Ų026.6 Ų26.60%014%0.136CC..Hα-helixtrans-58.1-46.6174.7-79.8172.4000111.2I509 F512 L513 V516 T557 N563 L564 T565 Y584 L609I509-L561 HydrophobicContact CD1-CD2 4.37Å; F512-L561 HydrophobicContact CB-CD1 4.11Å; F512-L561 HydrophobicContact CB-CD2 3.71Å; F512-L561 HydrophobicContact CB-CG 3.83Å; F512-L561 HydrophobicContact CD2-CD2 3.97Å; F512-L561 HydrophobicContact CD2-CG 3.97Å; F512-L561 HydrophobicContact CG-CD2 4.38Å; F512-L561 HydrophobicContact CG-CG 4.41Å; L513-L561 HydrophobicContact CD2-CD1 4.42Å; V516-L561 HydrophobicContact CG2-CD1 4.07Å; T557-L561 HydrophobicContact CG2-CD1 4.36Å; T557-L561 WeakPolarHBondContact O-CB 3.43Å; T557-L561 WeakPolarHBondContact O-CG 3.45Å; T557-L561 PolarHBondContact O-N 2.9Å; L561-N563 PolarHBondContact O-N 2.88Å; L561-L564 PolarHBondContact O-N 3.1Å; L561-T565 WeakPolarHBondContact O-CG2 3.42Å; L561-T565 PolarHBondContact O-N 3.09Å; L561-T565 VanDerWaalsContact O-N 3.1Å; L561-T565 PolarHBondContact O-OG1 2.66Å; L561-Y584 HydrophobicContact CD1-CE2 4.41Å; L561-Y584 WeakPolarHBondContact CD1-OH 3.48Å; L561-L609 HydrophobicContact CB-CD1 3.55Å
562W98.3Very high97.8Very high28 Ų2824.4 Ų24.411%0.10612%0.124CC..Hα-helixtrans-58.3-50.4177.9-176.810.9000111.4L558 S559 A560 L564 T565 D566 K605 G608 L609 N612 F646 V692L558-W562 PolarHBondContact O-N 3.19Å; L558-W562 VanDerWaalsContact O-N 3.08Å; S559-W562 PolarHBondContact O-N 3.39Å; A560-W562 VanDerWaalsContact C-N 3.33Å; A560-W562 PolarHBondContact O-N 2.86Å; W562-L564 VanDerWaalsContact C-N 3.32Å; W562-L564 PolarHBondContact O-N 2.96Å; W562-T565 PolarHBondContact O-N 2.68Å; W562-T565 PolarHBondContact O-OG1 3.46Å; W562-D566 PolarHBondContact O-N 3.44Å; W562-K605 HydrophobicContact CE3-CD 3.51Å; W562-K605 HydrophobicContact CZ3-CD 3.69Å; W562-G608 PolarHBondContact NE1-O 3.47Å; W562-L609 HydrophobicContact CB-CB 4.3Å; W562-N612 VanDerWaalsContact CD1-ND2 3.32Å; W562-F646 HydrophobicContact CH2-CE1 4.24Å; W562-F646 AromaticContact CH2-CE2 3.93Å; W562-F646 HydrophobicContact CH2-CE2 3.93Å; W562-F646 AromaticContact CH2-CZ 3.39Å; W562-F646 HydrophobicContact CH2-CZ 3.39Å; W562-F646 AromaticContact CZ2-CE1 3.71Å; W562-F646 HydrophobicContact CZ2-CE1 3.71Å; W562-F646 HydrophobicContact CZ2-CE2 4.22Å; W562-F646 AromaticContact CZ2-CZ 3.32Å; W562-F646 HydrophobicContact CZ2-CZ 3.32Å; W562-V692 HydrophobicContact CZ2-CG1 4.44Å
563N97.9Very high97.9Very high37 Ų3722.7 Ų22.720%0.19811%0.112CC..Hα-helixtrans-65.8-30.6179.9-70-11.2000113.6S488 A491 S559 A560 L561S488-N563 PolarHBondContact O-ND2 3.06Å; A491-N563 HydrophobicContact CB-CB 3.75Å; S559-N563 PolarHBondContact O-N 2.96Å; A560-N563 PolarHBondContact O-N 3.37Å; L561-N563 PolarHBondContact O-N 2.88Å
564L98.1Very high97.8Very high7 Ų724.9 Ų24.94%0.03712%0.119CC..Hα-helixtrans-72.7-29.9175.9-73.6169000112.6F468 I487 A491 L499 L502 I509 F512 A560 L561 W562 C568 A571F468-L564 HydrophobicContact CZ-CD1 3.99Å; I487-L564 HydrophobicContact CG2-CD1 4.25Å; I487-L564 HydrophobicContact CG2-CD2 4.41Å; I487-L564 HydrophobicContact CG2-CG 4.48Å; A491-L564 HydrophobicContact CB-CD2 3.99Å; A491-L564 HydrophobicContact CB-CG 4.18Å; L499-L564 HydrophobicContact CD2-CD2 3.95Å; L502-L564 HydrophobicContact CD1-CD2 4.34Å; I509-L564 HydrophobicContact CD1-CD1 4.49Å; F512-L564 HydrophobicContact CD2-CD1 3.95Å; F512-L564 HydrophobicContact CE2-CD1 3.67Å; A560-L564 WeakPolarHBondContact O-CB 3.47Å; A560-L564 WeakPolarHBondContact O-CG 3.37Å; A560-L564 PolarHBondContact O-N 3.49Å; L561-L564 PolarHBondContact O-N 3.1Å; W562-L564 VanDerWaalsContact C-N 3.32Å; W562-L564 PolarHBondContact O-N 2.96Å; L564-C568 WeakPolarHBondContact O-CB 3.34Å; L564-A571 WeakPolarHBondContact O-CB 3.34Å
565T97.8Very high97.8Very high1 Ų124.8 Ų24.81%0.00612%0.119CC..Hα-helixtrans-85.4-11.8178.850.30000114L561 W562 E567 C568 A571 C572 L609L561-T565 WeakPolarHBondContact O-CG2 3.42Å; L561-T565 PolarHBondContact O-N 3.09Å; L561-T565 VanDerWaalsContact O-N 3.1Å; L561-T565 PolarHBondContact O-OG1 2.66Å; W562-T565 PolarHBondContact O-N 2.68Å; W562-T565 PolarHBondContact O-OG1 3.46Å; T565-E567 PolarHBondContact O-N 3.32Å; T565-C568 PolarHBondContact O-N 3.26Å; T565-A571 HydrophobicContact CG2-CB 4.24Å; T565-C572 PolarHBondContact O-SG 2.99Å; T565-C572 VanDerWaalsContact O-SG 3.37Å; T565-L609 HydrophobicContact CG2-CD1 4.05Å; T565-L609 HydrophobicContact CG2-CG 4.17Å
566D97Very high97.7Very high27 Ų2722.3 Ų22.314%0.14411%0.113CC..THydrogen-bonded Turntrans-66.1118.3-175.9-16439.3000112.7W562 C568 N612 R695W562-D566 PolarHBondContact O-N 3.44Å; D566-C568 PolarHBondContact O-N 2.82Å; D566-N612 WeakPolarHBondContact CA-ND2 3.45Å; D566-N612 PolarHBondContact N-ND2 3.06Å; D566-N612 PolarHBondContact OD1-ND2 3.35Å; D566-R695 WeakPolarHBondContact OD2-CD 3.37Å; D566-R695 WeakPolarHBondContact OD2-CG 3.36Å; D566-R695 IonicContact OD2-CZ 2.64Å; D566-R695 IonicContact OD2-NE 3.54Å; D566-R695 PolarHBondContact OD2-NE 3.4Å
567E96.1Very high97.4Very high39 Ų3926.3 Ų26.318%0.18213%0.126CC..THydrogen-bonded Turntrans46.633.7-173.1-63.9-176.5-127.500113.3T496 T565 R695 S696 P699T496-E567 HydrophobicContact CG2-CB 3.79Å; T496-E567 WeakPolarHBondContact CG2-O 3.49Å; T565-E567 PolarHBondContact O-N 3.32Å; E567-R695 WeakPolarHBondContact OE1-CB 3.26Å; E567-S696 PolarHBondContact OE1-N 3.23Å; E567-S696 PolarHBondContact OE1-OG 2.98Å; E567-S696 VanDerWaalsContact OE1-OG 3.09Å; E567-S696 PolarHBondContact OE2-OG 3.31Å; E567-P699 HydrophobicContact CG-CG 3.86Å
568C97.1Very high97.2Very high2 Ų227.6 Ų27.61%0.01413%0.132CC..  trans-127.387.1-177.9-169.10000111.8L499 S500 L564 T565 D566 E570 A571 C572L499-C568 HydrophobicContact CB-CB 4.12Å; L499-C568 HydrophobicContact CD1-CB 4.47Å; S500-C568 PolarHBondContact N-SG 3.07Å; L564-C568 WeakPolarHBondContact O-CB 3.34Å; T565-C568 PolarHBondContact O-N 3.26Å; D566-C568 PolarHBondContact O-N 2.82Å; C568-E570 VanDerWaalsContact C-N 3.28Å; C568-E570 PolarHBondContact O-N 3.04Å; C568-A571 HydrophobicContact CB-CB 3.94Å; C568-A571 PolarHBondContact O-N 3.16Å; C568-C572 PolarHBondContact O-N 3.06Å; C568-C572 VanDerWaalsContact O-N 3.12Å
569P97.6Very high96.9Very high68 Ų6827.7 Ų27.744%0.44213%0.133SC..Hα-helixtrans-55.3-38.7-179-28.835.9000114.5C572 L573 V616P569-C572 PolarHBondContact O-N 3.47Å; P569-L573 WeakPolarHBondContact O-CB 3.3Å; P569-L573 WeakPolarHBondContact O-CD1 3.41Å; P569-L573 VanDerWaalsContact O-CG 3.29Å; P569-L573 WeakPolarHBondContact O-CG 3.4Å; P569-L573 PolarHBondContact O-N 3.2Å; P569-V616 HydrophobicContact CB-CG1 3.98Å; P569-V616 HydrophobicContact CB-CG2 4.14Å; P569-V616 HydrophobicContact CG-CG2 4.29Å
570E97.6Very high96.7Very high51 Ų5126.9 Ų26.924%0.23813%0.128CC..Hα-helixtrans-61.8-44.7177.3-175.365-161.900110.9A503 C568 L573 R574A503-E570 HydrophobicContact CB-CB 4.39Å; A503-E570 HydrophobicContact CB-CG 4.03Å; C568-E570 VanDerWaalsContact C-N 3.28Å; C568-E570 PolarHBondContact O-N 3.04Å; E570-L573 PolarHBondContact O-N 2.95Å; E570-R574 HydrophobicContact CG-CG 4.46Å; E570-R574 WeakPolarHBondContact O-CB 3.44Å; E570-R574 WeakPolarHBondContact O-CG 3.49Å; E570-R574 PolarHBondContact O-N 2.88Å; E570-R574 IonicContact OE1-CZ 2.74Å; E570-R574 VanDerWaalsContact OE1-CZ 3.26Å; E570-R574 IonicContact OE1-NE 2.79Å; E570-R574 PolarHBondContact OE1-NE 3.28Å; E570-R574 IonicContact OE1-NH2 3.86Å; E570-R574 PolarHBondContact OE1-NH2 3.18Å
571A97.8Very high96.6Very high1 Ų127.1 Ų27.11%0.00813%0.129CC..Hα-helixtrans-64.3-42.2177.700000112.3A503 L564 T565 C568 R574 F575A503-A571 HydrophobicContact CB-CB 3.81Å; L564-A571 WeakPolarHBondContact O-CB 3.34Å; T565-A571 HydrophobicContact CG2-CB 4.24Å; C568-A571 HydrophobicContact CB-CB 3.94Å; C568-A571 PolarHBondContact O-N 3.16Å; A571-R574 PolarHBondContact O-N 3.35Å; A571-F575 WeakPolarHBondContact O-CB 3.37Å; A571-F575 PolarHBondContact O-N 3.12Å
572C98.5Very high96.3Very high0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-61.6-46.8175.1-67.70000111.8T565 C568 P569 R574 F575 V576 N612 V613 V616T565-C572 PolarHBondContact O-SG 2.99Å; T565-C572 VanDerWaalsContact O-SG 3.37Å; C568-C572 PolarHBondContact O-N 3.06Å; C568-C572 VanDerWaalsContact O-N 3.12Å; P569-C572 PolarHBondContact O-N 3.47Å; C572-R574 VanDerWaalsContact C-N 3.31Å; C572-R574 PolarHBondContact O-N 3.5Å; C572-F575 WeakPolarHBondContact O-CB 3.45Å; C572-F575 PolarHBondContact O-N 3.3Å; C572-V576 WeakPolarHBondContact O-CG2 3.39Å; C572-V576 PolarHBondContact O-N 3.21Å; C572-N612 PolarHBondContact SG-O 3.49Å; C572-N612 VanDerWaalsContact SG-O 3.39Å; C572-V613 HydrophobicContact CB-CG2 4.26Å; C572-V616 HydrophobicContact CB-CB 4.32Å; C572-V616 HydrophobicContact CB-CG2 3.8Å
573L97.6Very high96.2Very high32 Ų3227.6 Ų27.617%0.16813%0.133CC..Hα-helixtrans-59.9-41.8176-77.3164.9000111.6P569 E570 V576 R577 Q618 T619P569-L573 WeakPolarHBondContact O-CB 3.3Å; P569-L573 WeakPolarHBondContact O-CD1 3.41Å; P569-L573 VanDerWaalsContact O-CG 3.29Å; P569-L573 WeakPolarHBondContact O-CG 3.4Å; P569-L573 PolarHBondContact O-N 3.2Å; E570-L573 PolarHBondContact O-N 2.95Å; L573-V576 PolarHBondContact O-N 3.31Å; L573-R577 WeakPolarHBondContact O-CB 3.33Å; L573-R577 VanDerWaalsContact O-CG 3.24Å; L573-R577 WeakPolarHBondContact O-CG 3.36Å; L573-R577 PolarHBondContact O-N 3.45Å; L573-Q618 HydrophobicContact CD2-CB 4.01Å; L573-T619 HydrophobicContact CD2-CG2 3.69Å; L573-T619 HydrophobicContact CG-CG2 4.04Å
574R95.6Very high96.1Very high57 Ų5725.8 Ų25.822%0.21512%0.124CC..Hα-helixtrans-64.7-46.5176.2-67.5-77171.3166.48.4111.1I509 E570 A571 C572 V576 R577 Q578I509-R574 HydrophobicContact CG1-CB 4.08Å; E570-R574 HydrophobicContact CG-CG 4.46Å; E570-R574 WeakPolarHBondContact O-CB 3.44Å; E570-R574 WeakPolarHBondContact O-CG 3.49Å; E570-R574 PolarHBondContact O-N 2.88Å; E570-R574 IonicContact OE1-CZ 2.74Å; E570-R574 VanDerWaalsContact OE1-CZ 3.26Å; E570-R574 IonicContact OE1-NE 2.79Å; E570-R574 PolarHBondContact OE1-NE 3.28Å; E570-R574 IonicContact OE1-NH2 3.86Å; E570-R574 PolarHBondContact OE1-NH2 3.18Å; A571-R574 PolarHBondContact O-N 3.35Å; C572-R574 VanDerWaalsContact C-N 3.31Å; C572-R574 PolarHBondContact O-N 3.5Å; R574-V576 VanDerWaalsContact C-N 3.32Å; R574-V576 PolarHBondContact O-N 3.16Å; R574-R577 PolarHBondContact O-N 3.37Å; R574-Q578 WeakPolarHBondContact O-CB 3.42Å; R574-Q578 WeakPolarHBondContact O-CG 3.49Å; R574-Q578 PolarHBondContact O-N 3.01Å
575F97.2Very high96Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-54.4-47.8175.9173-92.4000112I509 L513 A571 C572 G580 L581 Y584 L609 L610 V613I509-F575 HydrophobicContact CG2-CB 4.3Å; L513-F575 HydrophobicContact CD2-CD2 3.98Å; L513-F575 HydrophobicContact CD2-CE2 3.68Å; A571-F575 WeakPolarHBondContact O-CB 3.37Å; A571-F575 PolarHBondContact O-N 3.12Å; C572-F575 WeakPolarHBondContact O-CB 3.45Å; C572-F575 PolarHBondContact O-N 3.3Å; F575-G580 VanDerWaalsContact CZ-CA 3.5Å; F575-G580 WeakPolarHBondContact CZ-O 3.42Å; F575-G580 WeakPolarHBondContact O-CA 3.47Å; F575-G580 PolarHBondContact O-N 3.38Å; F575-L581 HydrophobicContact CE1-CD2 3.96Å; F575-L581 HydrophobicContact CE1-CG 4.37Å; F575-Y584 HydrophobicContact CE2-CD2 4.02Å; F575-Y584 HydrophobicContact CE2-CE1 4.32Å; F575-Y584 AromaticContact CE2-CE2 3.67Å; F575-Y584 HydrophobicContact CE2-CE2 3.67Å; F575-Y584 AromaticContact CE2-CZ 3.84Å; F575-Y584 AromaticContact CZ-CD1 3.96Å; F575-Y584 HydrophobicContact CZ-CD1 3.96Å; F575-Y584 AromaticContact CZ-CD2 3.75Å; F575-Y584 HydrophobicContact CZ-CD2 3.75Å; F575-Y584 HydrophobicContact CZ-CE1 4.01Å; F575-Y584 AromaticContact CZ-CE2 3.83Å; F575-Y584 HydrophobicContact CZ-CE2 3.83Å; F575-Y584 AromaticContact CZ-CG 3.85Å; F575-Y584 HydrophobicContact CZ-CG 3.85Å; F575-Y584 AromaticContact CZ-CZ 3.97Å; F575-L609 HydrophobicContact CD1-CD2 3.83Å; F575-L609 HydrophobicContact CD2-CD1 4.16Å; F575-L609 HydrophobicContact CD2-CD2 4.09Å; F575-L609 HydrophobicContact CE1-CD2 3.44Å; F575-L609 VanDerWaalsContact CE1-CD2 3.44Å; F575-L609 HydrophobicContact CE2-CD1 4Å; F575-L609 HydrophobicContact CE2-CD2 3.72Å; F575-L609 HydrophobicContact CG-CD2 4.14Å; F575-L609 HydrophobicContact CZ-CD1 4.46Å; F575-L609 HydrophobicContact CZ-CD2 3.38Å; F575-L610 HydrophobicContact CE1-CD2 4.25Å; F575-V613 HydrophobicContact CD1-CG2 3.93Å; F575-V613 HydrophobicContact CE1-CG2 4.3Å
576V96Very high95.8Very high32 Ų3228.1 Ų28.119%0.19413%0.134CC..Hα-helixtrans-64.5-50178.1173.10000111.5C572 L573 R574 Q578 G579 L581 V613 T619 S622C572-V576 WeakPolarHBondContact O-CG2 3.39Å; C572-V576 PolarHBondContact O-N 3.21Å; L573-V576 PolarHBondContact O-N 3.31Å; R574-V576 VanDerWaalsContact C-N 3.32Å; R574-V576 PolarHBondContact O-N 3.16Å; V576-Q578 PolarHBondContact O-N 3.22Å; V576-G579 PolarHBondContact O-N 2.93Å; V576-G579 VanDerWaalsContact O-N 3.1Å; V576-L581 HydrophobicContact CG1-CD1 4.1Å; V576-L581 HydrophobicContact CG2-CD1 4.08Å; V576-L581 HydrophobicContact CG2-CG 4.15Å; V576-V613 HydrophobicContact CG2-CG1 3.77Å; V576-T619 HydrophobicContact CG2-CG2 4.07Å; V576-S622 WeakPolarHBondContact CG1-OG 3.39Å
577R93.3Very high95.8Very high153 Ų15326.9 Ų26.958%0.57713%0.127SC*.Hα-helixtrans-59.6-33.5-178.3-76.3173.2178.1163.51.2112.8L573 R574 G579L573-R577 WeakPolarHBondContact O-CB 3.33Å; L573-R577 VanDerWaalsContact O-CG 3.24Å; L573-R577 WeakPolarHBondContact O-CG 3.36Å; L573-R577 PolarHBondContact O-N 3.45Å; R574-R577 PolarHBondContact O-N 3.37Å; R577-G579 PolarHBondContact O-N 3.44Å
578Q92.9Very high95.9Very high27 Ų2725.1 Ų25.113%0.12612%0.119CC..THydrogen-bonded Turntrans-88.818.2-179.5-56.3-63.842.700113.9E510 L513 L533 Y536 R574 V576 G580E510-Q578 HydrophobicContact CG-CB 4.25Å; E510-Q578 HydrophobicContact CG-CG 3.95Å; E510-Q578 VanDerWaalsContact CG-NE2 3.33Å; E510-Q578 PolarHBondContact OE1-NE2 2.93Å; L513-Q578 HydrophobicContact CD1-CB 3.83Å; L513-Q578 WeakPolarHBondContact CD1-O 3.33Å; L533-Q578 WeakPolarHBondContact CD2-O 3.46Å; Y536-Q578 HydrophobicContact CE1-CB 4.37Å; Y536-Q578 PolarHBondContact OH-O 2.97Å; R574-Q578 WeakPolarHBondContact O-CB 3.42Å; R574-Q578 WeakPolarHBondContact O-CG 3.49Å; R574-Q578 PolarHBondContact O-N 3.01Å; V576-Q578 PolarHBondContact O-N 3.22Å; Q578-G580 PolarHBondContact O-N 3.4Å
579G92.8Very high95.8Very high3 Ų330.3 Ų30.33%0.03114%0.141CC..THydrogen-bonded Turntrans78.914.4173.800000114.8V576 R577 L581 I582 I583V576-G579 PolarHBondContact O-N 2.93Å; V576-G579 VanDerWaalsContact O-N 3.1Å; R577-G579 PolarHBondContact O-N 3.44Å; G579-L581 VanDerWaalsContact C-N 3.27Å; G579-L581 PolarHBondContact O-N 3.37Å; G579-I582 PolarHBondContact O-N 2.68Å; G579-I582 VanDerWaalsContact O-N 3.09Å; G579-I583 PolarHBondContact O-N 3.14Å; G579-I583 VanDerWaalsContact O-N 3.13Å
580G95.5Very high95.7Very high0 Ų029.6 Ų29.60%013%0.13CC..Hα-helixtrans-55.4-38.4-177.600000113.8F575 Q578 I582 I583 Y584F575-G580 VanDerWaalsContact CZ-CA 3.5Å; F575-G580 WeakPolarHBondContact CZ-O 3.42Å; F575-G580 WeakPolarHBondContact O-CA 3.47Å; F575-G580 PolarHBondContact O-N 3.38Å; Q578-G580 PolarHBondContact O-N 3.4Å; G580-I582 PolarHBondContact O-N 3.08Å; G580-I583 PolarHBondContact O-N 2.81Å; G580-Y584 WeakPolarHBondContact O-CB 3.14Å; G580-Y584 WeakPolarHBondContact O-CD2 3.05Å; G580-Y584 PolarHBondContact O-N 3.36Å
581L95.5Very high95.7Very high5 Ų527.2 Ų27.23%0.02612%0.119CC..Hα-helixtrans-62.4-41.8177.1-65.4-178.4000113.2F575 V576 G579 Y584 E585 L610 S622 L623F575-L581 HydrophobicContact CE1-CD2 3.96Å; F575-L581 HydrophobicContact CE1-CG 4.37Å; V576-L581 HydrophobicContact CG1-CD1 4.1Å; V576-L581 HydrophobicContact CG2-CD1 4.08Å; V576-L581 HydrophobicContact CG2-CG 4.15Å; G579-L581 VanDerWaalsContact C-N 3.27Å; G579-L581 PolarHBondContact O-N 3.37Å; L581-Y584 PolarHBondContact O-N 3.04Å; L581-E585 WeakPolarHBondContact O-CB 3.15Å; L581-E585 PolarHBondContact O-N 3.45Å; L581-L610 HydrophobicContact CD2-CD2 3.41Å; L581-L610 VanDerWaalsContact CD2-CD2 3.41Å; L581-S622 VanDerWaalsContact CD1-O 3.3Å; L581-S622 WeakPolarHBondContact CD1-O 3.16Å; L581-S622 WeakPolarHBondContact CD1-OG 3.24Å; L581-L623 HydrophobicContact CD1-CD2 4.4Å; L581-L623 HydrophobicContact CD2-CD2 3.51Å; L581-L623 HydrophobicContact CD2-CG 4.39Å
582I92.7Very high95.6Very high37 Ų3729.1 Ų29.119%0.1914%0.135CC..Hα-helixtrans-70.3-42.2-178.9-52.3172.6000109.4L529 G579 G580 Y584 E585 K586L529-I582 HydrophobicContact CD2-CB 4.18Å; L529-I582 HydrophobicContact CD2-CG2 3.6Å; G579-I582 PolarHBondContact O-N 2.68Å; G579-I582 VanDerWaalsContact O-N 3.09Å; G580-I582 PolarHBondContact O-N 3.08Å; I582-Y584 VanDerWaalsContact C-N 3.34Å; I582-Y584 PolarHBondContact O-N 3.15Å; I582-E585 PolarHBondContact O-N 2.92Å; I582-K586 WeakPolarHBondContact O-CG 3.35Å; I582-K586 PolarHBondContact O-N 3.41Å
583I94.6Very high95.4Very high0 Ų036.4 Ų36.40%017%0.173CC..Hα-helixtrans-58.6-48.5174.2-67.4171.6000109.9L513 V516 L521 L529 L533 Y536 G579 G580 E585 K586 V587L513-I583 HydrophobicContact CB-CD1 3.95Å; L513-I583 HydrophobicContact CD2-CD1 4.2Å; L513-I583 HydrophobicContact CG-CD1 4.45Å; V516-I583 HydrophobicContact CB-CG2 4.48Å; V516-I583 HydrophobicContact CG1-CG2 3.89Å; L521-I583 HydrophobicContact CD1-CG2 4.44Å; L529-I583 HydrophobicContact CD2-CG1 4.16Å; L533-I583 HydrophobicContact CD1-CD1 4.29Å; L533-I583 HydrophobicContact CD1-CG1 4.38Å; L533-I583 HydrophobicContact CD2-CD1 4.05Å; Y536-I583 WeakPolarHBondContact OH-CD1 3.39Å; G579-I583 PolarHBondContact O-N 3.14Å; G579-I583 VanDerWaalsContact O-N 3.13Å; G580-I583 PolarHBondContact O-N 2.81Å; I583-E585 PolarHBondContact O-N 3.13Å; I583-K586 PolarHBondContact O-N 2.97Å; I583-V587 HydrophobicContact CG2-CG2 4.12Å; I583-V587 WeakPolarHBondContact O-CG2 3.12Å; I583-V587 PolarHBondContact O-N 2.91Å
584Y97.2Very high95.3Very high0 Ų037.6 Ų37.60%018%0.178CC..Hα-helixtrans-65.4-38.3-178.2-87.3-140.1000112.3L513 V516 L558 L561 F575 G580 L581 I582 K586 V587 L588 C606 L609 L610L513-Y584 HydrophobicContact CD2-CE2 4.42Å; V516-Y584 HydrophobicContact CG1-CE2 4.49Å; L558-Y584 HydrophobicContact CD2-CE2 4.45Å; L561-Y584 HydrophobicContact CD1-CE2 4.41Å; L561-Y584 WeakPolarHBondContact CD1-OH 3.48Å; F575-Y584 HydrophobicContact CE2-CD2 4.02Å; F575-Y584 HydrophobicContact CE2-CE1 4.32Å; F575-Y584 AromaticContact CE2-CE2 3.67Å; F575-Y584 HydrophobicContact CE2-CE2 3.67Å; F575-Y584 AromaticContact CE2-CZ 3.84Å; F575-Y584 AromaticContact CZ-CD1 3.96Å; F575-Y584 HydrophobicContact CZ-CD1 3.96Å; F575-Y584 AromaticContact CZ-CD2 3.75Å; F575-Y584 HydrophobicContact CZ-CD2 3.75Å; F575-Y584 HydrophobicContact CZ-CE1 4.01Å; F575-Y584 AromaticContact CZ-CE2 3.83Å; F575-Y584 HydrophobicContact CZ-CE2 3.83Å; F575-Y584 AromaticContact CZ-CG 3.85Å; F575-Y584 HydrophobicContact CZ-CG 3.85Å; F575-Y584 AromaticContact CZ-CZ 3.97Å; G580-Y584 WeakPolarHBondContact O-CB 3.14Å; G580-Y584 WeakPolarHBondContact O-CD2 3.05Å; G580-Y584 PolarHBondContact O-N 3.36Å; L581-Y584 PolarHBondContact O-N 3.04Å; I582-Y584 VanDerWaalsContact C-N 3.34Å; I582-Y584 PolarHBondContact O-N 3.15Å; Y584-K586 VanDerWaalsContact C-N 3.31Å; Y584-K586 PolarHBondContact O-N 2.69Å; Y584-V587 PolarHBondContact O-N 3.21Å; Y584-L588 WeakPolarHBondContact O-CB 3.23Å; Y584-L588 WeakPolarHBondContact O-CG 3.2Å; Y584-L588 PolarHBondContact O-N 3.4Å; Y584-C606 HydrophobicContact CD1-CB 3.79Å; Y584-C606 HydrophobicContact CE1-CB 3.91Å; Y584-L609 HydrophobicContact CD1-CD2 4.46Å; Y584-L609 HydrophobicContact CE1-CB 4.14Å; Y584-L609 HydrophobicContact CE1-CD1 4.22Å; Y584-L609 HydrophobicContact CE1-CD2 3.91Å; Y584-L609 HydrophobicContact CE1-CG 4.33Å; Y584-L610 HydrophobicContact CD1-CD1 4.32Å; Y584-L610 HydrophobicContact CD1-CD2 4.25Å; Y584-L610 HydrophobicContact CD1-CG 4.11Å
585E95.3Very high95.3Very high27 Ų2738.2 Ų38.213%0.12619%0.191CC..Hα-helixtrans-57.9-45.3174-171.2-171.3154.500111.7L581 I582 I583 K589 S627 L628L581-E585 WeakPolarHBondContact O-CB 3.15Å; L581-E585 PolarHBondContact O-N 3.45Å; I582-E585 PolarHBondContact O-N 2.92Å; I583-E585 PolarHBondContact O-N 3.13Å; E585-K589 WeakPolarHBondContact O-CG 3.46Å; E585-K589 PolarHBondContact O-N 2.89Å; E585-K589 VanDerWaalsContact O-N 3.16Å; E585-K589 IonicContact OE1-NZ 2.97Å; E585-K589 PolarHBondContact OE1-NZ 2.96Å; E585-S627 WeakPolarHBondContact OE1-CB 3.45Å; E585-S627 PolarHBondContact OE1-OG 3.23Å; E585-S627 PolarHBondContact OE2-OG 3.4Å; E585-L628 HydrophobicContact CB-CD2 3.99Å; E585-L628 HydrophobicContact CG-CD2 4.05Å
586K94.4Very high95.3Very high30 Ų3043.3 Ų43.313%0.1322%0.215CC..Hα-helixtrans-68.3-41.7177.7-64-70-171.4170.50111.5L521 D528 I582 I583 Y584 L588 K589 R590L521-K586 HydrophobicContact CD2-CB 3.48Å; L521-K586 VanDerWaalsContact CD2-CB 3.48Å; D528-K586 IonicContact OD2-NZ 3.35Å; D528-K586 PolarHBondContact OD2-NZ 3.23Å; I582-K586 WeakPolarHBondContact O-CG 3.35Å; I582-K586 PolarHBondContact O-N 3.41Å; I583-K586 PolarHBondContact O-N 2.97Å; Y584-K586 VanDerWaalsContact C-N 3.31Å; Y584-K586 PolarHBondContact O-N 2.69Å; K586-L588 PolarHBondContact O-N 3.5Å; K586-K589 PolarHBondContact O-N 2.99Å; K586-R590 WeakPolarHBondContact O-CB 3.43Å; K586-R590 WeakPolarHBondContact O-CG 3.47Å; K586-R590 PolarHBondContact O-N 3.25Å
587V96.6Very high95.3Very high0 Ų049.6 Ų49.60%024%0.242CC..Hα-helixtrans-56.9-51.3174.81710000110.5V516 C520 L521 I583 Y584 K589 R590 F591 V602V516-V587 HydrophobicContact CG1-CG2 3.66Å; C520-V587 HydrophobicContact CB-CG2 3.7Å; L521-V587 HydrophobicContact CD2-CG2 4.39Å; I583-V587 HydrophobicContact CG2-CG2 4.12Å; I583-V587 WeakPolarHBondContact O-CG2 3.12Å; I583-V587 PolarHBondContact O-N 2.91Å; Y584-V587 PolarHBondContact O-N 3.21Å; V587-K589 VanDerWaalsContact C-N 3.3Å; V587-K589 PolarHBondContact O-N 3.44Å; V587-R590 PolarHBondContact O-N 2.85Å; V587-R590 VanDerWaalsContact O-N 3.14Å; V587-F591 HydrophobicContact CG1-CD2 3.92Å; V587-F591 HydrophobicContact CG1-CE2 4.15Å; V587-F591 WeakPolarHBondContact O-CD2 3.44Å; V587-F591 PolarHBondContact O-N 2.95Å; V587-V602 HydrophobicContact CG1-CG1 3.83Å
588L97.8Very high95.5Very high3 Ų343.5 Ų43.52%0.01622%0.222CC..Hα-helixtrans-59.6-39.7-179.2-69.3168.2000112.1Y584 K586 A592 Y603 C606 L610 F631Y584-L588 WeakPolarHBondContact O-CB 3.23Å; Y584-L588 WeakPolarHBondContact O-CG 3.2Å; Y584-L588 PolarHBondContact O-N 3.4Å; K586-L588 PolarHBondContact O-N 3.5Å; L588-A592 PolarHBondContact O-N 3.27Å; L588-Y603 HydrophobicContact CB-CE1 4.26Å; L588-Y603 HydrophobicContact CD2-CD1 3.43Å; L588-Y603 VanDerWaalsContact CD2-CD1 3.43Å; L588-Y603 HydrophobicContact CD2-CE1 3.65Å; L588-Y603 HydrophobicContact CD2-CG 4.08Å; L588-Y603 WeakPolarHBondContact O-CE1 3.23Å; L588-Y603 PolarHBondContact O-OH 3.05Å; L588-C606 HydrophobicContact CD2-CB 3.82Å; L588-C606 HydrophobicContact CG-CB 4.4Å; L588-L610 HydrophobicContact CD1-CD1 4.42Å; L588-F631 HydrophobicContact CB-CE2 4.27Å; L588-F631 HydrophobicContact CB-CZ 4.15Å; L588-F631 HydrophobicContact CD1-CD1 4.05Å; L588-F631 HydrophobicContact CD1-CE1 3.69Å; L588-F631 HydrophobicContact CD1-CZ 4.1Å; L588-F631 HydrophobicContact CD2-CE1 4.05Å; L588-F631 HydrophobicContact CD2-CZ 3.81Å; L588-F631 HydrophobicContact CG-CE1 4.31Å; L588-F631 HydrophobicContact CG-CZ 4.23Å
589K96Very high95.7Very high110 Ų11043.4 Ų43.448%0.47822%0.221SC..Hα-helixtrans-65-46.2173.9-74.1171.2174.9171.70112.1E585 K586 V587 F591 A592E585-K589 WeakPolarHBondContact O-CG 3.46Å; E585-K589 PolarHBondContact O-N 2.89Å; E585-K589 VanDerWaalsContact O-N 3.16Å; E585-K589 IonicContact OE1-NZ 2.97Å; E585-K589 PolarHBondContact OE1-NZ 2.96Å; K586-K589 PolarHBondContact O-N 2.99Å; V587-K589 VanDerWaalsContact C-N 3.3Å; V587-K589 PolarHBondContact O-N 3.44Å; K589-F591 VanDerWaalsContact C-N 3.28Å; K589-F591 PolarHBondContact O-N 2.89Å; K589-A592 VanDerWaalsContact O-CB 3.22Å; K589-A592 WeakPolarHBondContact O-CB 3.48Å; K589-A592 PolarHBondContact O-N 2.93Å; K589-A592 VanDerWaalsContact O-N 3.16Å
590R95.2Very high95.9Very high54 Ų5444.9 Ų44.920%0.20423%0.228CC..Hα-helixtrans-65-29.4-178.2-71.9-77.8-64.8136-2.6113.5C520 G546 K586 V587C520-R590 PolarHBondContact O-NE 3.06Å; G546-R590 PolarHBondContact O-NH2 3.15Å; K586-R590 WeakPolarHBondContact O-CB 3.43Å; K586-R590 WeakPolarHBondContact O-CG 3.47Å; K586-R590 PolarHBondContact O-N 3.25Å; V587-R590 PolarHBondContact O-N 2.85Å; V587-R590 VanDerWaalsContact O-N 3.14Å
591F97.3Very high96Very high0 Ų048.1 Ų48.10%024%0.243CC..THydrogen-bonded Turntrans-87.7-3.3177.1-84-89.5000114.3C520 P548 F550 L554 V587 K589 D593 Q594 T598 K599 V602 Y603C520-F591 HydrophobicContact CB-CE2 4.34Å; P548-F591 HydrophobicContact CB-CD2 4.08Å; P548-F591 HydrophobicContact CB-CE1 4.26Å; P548-F591 HydrophobicContact CB-CE2 3.44Å; P548-F591 VanDerWaalsContact CB-CE2 3.44Å; P548-F591 HydrophobicContact CB-CZ 3.55Å; P548-F591 HydrophobicContact CG-CD1 4.17Å; P548-F591 HydrophobicContact CG-CD2 3.95Å; P548-F591 HydrophobicContact CG-CE1 3.93Å; P548-F591 HydrophobicContact CG-CE2 3.73Å; P548-F591 HydrophobicContact CG-CG 4.18Å; P548-F591 HydrophobicContact CG-CZ 3.72Å; F550-F591 HydrophobicContact CB-CE1 4.04Å; F550-F591 HydrophobicContact CB-CZ 4.29Å; F550-F591 HydrophobicContact CD2-CE1 4.35Å; F550-F591 HydrophobicContact CD2-CZ 4.5Å; F550-F591 HydrophobicContact CG-CE1 4.37Å; L554-F591 HydrophobicContact CD2-CE2 4.36Å; L554-F591 HydrophobicContact CD2-CZ 3.93Å; V587-F591 HydrophobicContact CG1-CD2 3.92Å; V587-F591 HydrophobicContact CG1-CE2 4.15Å; V587-F591 WeakPolarHBondContact O-CD2 3.44Å; V587-F591 PolarHBondContact O-N 2.95Å; K589-F591 VanDerWaalsContact C-N 3.28Å; K589-F591 PolarHBondContact O-N 2.89Å; F591-D593 VanDerWaalsContact C-N 3.26Å; F591-D593 PolarHBondContact O-N 3.31Å; F591-Q594 HydrophobicContact CB-CG 4.49Å; F591-Q594 HydrophobicContact CD1-CB 4.16Å; F591-Q594 HydrophobicContact CD1-CG 3.75Å; F591-Q594 HydrophobicContact CE1-CG 4.33Å; F591-Q594 HydrophobicContact CG-CG 4.34Å; F591-Q594 PolarHBondContact O-N 3.25Å; F591-T598 HydrophobicContact CD1-CG2 3.86Å; F591-T598 HydrophobicContact CE1-CG2 3.6Å; F591-K599 WeakPolarHBondContact O-CG 3.15Å; F591-V602 HydrophobicContact CB-CG1 4.47Å; F591-V602 HydrophobicContact CD1-CB 4.23Å; F591-V602 HydrophobicContact CD1-CG1 4.48Å; F591-V602 HydrophobicContact CD1-CG2 3.81Å; F591-V602 HydrophobicContact CD2-CG1 3.96Å; F591-V602 HydrophobicContact CD2-CG2 4.45Å; F591-V602 HydrophobicContact CE1-CG2 3.66Å; F591-V602 HydrophobicContact CE2-CG1 4.29Å; F591-V602 HydrophobicContact CE2-CG2 4.29Å; F591-V602 HydrophobicContact CG-CB 4.24Å; F591-V602 HydrophobicContact CG-CG1 4.05Å; F591-V602 HydrophobicContact CG-CG2 4.21Å; F591-V602 HydrophobicContact CZ-CG2 3.9Å; F591-Y603 HydrophobicContact CB-CE1 4.19Å
592A96Very high96.2Very high42 Ų4247.9 Ų47.935%0.34724%0.242SC..THydrogen-bonded Turntrans-60.4-34.5-177.200000113.4L588 K589L588-A592 PolarHBondContact O-N 3.27Å; K589-A592 VanDerWaalsContact O-CB 3.22Å; K589-A592 WeakPolarHBondContact O-CB 3.48Å; K589-A592 PolarHBondContact O-N 2.93Å; K589-A592 VanDerWaalsContact O-N 3.16Å
593D93.9Very high96.4Very high152 Ų15246.7 Ų46.781%0.81324%0.235SC*.THydrogen-bonded Turntrans-97.78.1-178-54.1-45.9000113.5F591F591-D593 VanDerWaalsContact C-N 3.26Å; F591-D593 PolarHBondContact O-N 3.31Å
594Q96.1Very high96.6Very high58 Ų5847.3 Ų47.327%0.27124%0.239SC..SBendtrans-83.7165.6177-61.4-59.6-62.100111.2P548 F591 E596 T598P548-Q594 HydrophobicContact CG-CG 4.04Å; F591-Q594 HydrophobicContact CB-CG 4.49Å; F591-Q594 HydrophobicContact CD1-CB 4.16Å; F591-Q594 HydrophobicContact CD1-CG 3.75Å; F591-Q594 HydrophobicContact CE1-CG 4.33Å; F591-Q594 HydrophobicContact CG-CG 4.34Å; F591-Q594 PolarHBondContact O-N 3.25Å; Q594-E596 PolarHBondContact O-N 2.93Å; Q594-T598 HydrophobicContact CB-CG2 4.39Å
595S96.1Very high96.6Very high69 Ų6949.5 Ų49.548%0.48325%0.249SC..  trans-49140.9174.264.80000111.3E597 T598 K599S595-E597 VanDerWaalsContact C-N 3.26Å; S595-E597 PolarHBondContact O-N 3.13Å; S595-E597 VanDerWaalsContact O-N 3.14Å; S595-T598 PolarHBondContact O-N 2.79Å; S595-T598 VanDerWaalsContact O-N 3.13Å; S595-T598 VanDerWaalsContact OG-CB 3.24Å; S595-T598 WeakPolarHBondContact OG-CB 3.39Å; S595-T598 PolarHBondContact OG-N 2.87Å; S595-T598 PolarHBondContact OG-OG1 3.36Å; S595-T598 VanDerWaalsContact OG-OG1 3.08Å; S595-K599 WeakPolarHBondContact O-CB 3.3Å; S595-K599 PolarHBondContact O-N 3.4Å
596E96.4Very high96.8Very high108 Ų10848.2 Ų48.251%0.50524%0.243SC..Hα-helixtrans-50.5-42.1-178.6-68.7-57.513100113.5Q594 K599 N600Q594-E596 PolarHBondContact O-N 2.93Å; E596-K599 PolarHBondContact O-N 3.08Å; E596-K599 IonicContact OE1-NZ 2.72Å; E596-K599 PolarHBondContact OE1-NZ 2.76Å; E596-K599 WeakPolarHBondContact OE2-CE 3.46Å; E596-K599 IonicContact OE2-NZ 2.98Å; E596-K599 PolarHBondContact OE2-NZ 3.32Å; E596-N600 WeakPolarHBondContact O-CB 3.31Å; E596-N600 PolarHBondContact O-N 3.38Å; E596-N600 PolarHBondContact O-ND2 3.48Å
597E96.3Very high97Very high164 Ų16446.8 Ų46.877%0.76624%0.236SC*.Hα-helixtrans-61-53.7179.1-172.9-171.3164.300112.1S595 N600 H601S595-E597 VanDerWaalsContact C-N 3.26Å; S595-E597 PolarHBondContact O-N 3.13Å; S595-E597 VanDerWaalsContact O-N 3.14Å; E597-N600 PolarHBondContact O-N 3.49Å; E597-H601 PolarHBondContact O-N 3.39Å
598T97Very high97.1Very high24 Ų2446.8 Ų46.815%0.14724%0.236CC..Hα-helixtrans-60.7-46.3177.4-64.90000111.7F550 F591 Q594 S595 N600 H601 V602F550-T598 HydrophobicContact CB-CG2 3.79Å; F550-T598 HydrophobicContact CD1-CG2 3.28Å; F550-T598 HydrophobicContact CD2-CG2 4.19Å; F550-T598 HydrophobicContact CE1-CG2 3.79Å; F550-T598 HydrophobicContact CG-CG2 3.5Å; F550-T598 HydrophobicContact CZ-CG2 4.47Å; F591-T598 HydrophobicContact CD1-CG2 3.86Å; F591-T598 HydrophobicContact CE1-CG2 3.6Å; Q594-T598 HydrophobicContact CB-CG2 4.39Å; S595-T598 PolarHBondContact O-N 2.79Å; S595-T598 VanDerWaalsContact O-N 3.13Å; S595-T598 VanDerWaalsContact OG-CB 3.24Å; S595-T598 WeakPolarHBondContact OG-CB 3.39Å; S595-T598 PolarHBondContact OG-N 2.87Å; S595-T598 PolarHBondContact OG-OG1 3.36Å; S595-T598 VanDerWaalsContact OG-OG1 3.08Å; T598-N600 PolarHBondContact O-N 3.02Å; T598-H601 PolarHBondContact O-N 3.18Å; T598-V602 WeakPolarHBondContact O-CG2 3.21Å; T598-V602 PolarHBondContact O-N 3.1Å; T598-V602 VanDerWaalsContact O-N 3.07Å
599K97.5Very high97.1Very high25 Ų2546.6 Ų46.611%0.10924%0.236CC..Hα-helixtrans-58.8-48.4178-179.8-178.670-174.50110.6F591 S595 E596 H601 V602 Y603F591-K599 WeakPolarHBondContact O-CG 3.15Å; S595-K599 WeakPolarHBondContact O-CB 3.3Å; S595-K599 PolarHBondContact O-N 3.4Å; E596-K599 PolarHBondContact O-N 3.08Å; E596-K599 IonicContact OE1-NZ 2.72Å; E596-K599 PolarHBondContact OE1-NZ 2.76Å; E596-K599 WeakPolarHBondContact OE2-CE 3.46Å; E596-K599 IonicContact OE2-NZ 2.98Å; E596-K599 PolarHBondContact OE2-NZ 3.32Å; K599-H601 VanDerWaalsContact C-N 3.34Å; K599-H601 PolarHBondContact O-N 3.23Å; K599-V602 PolarHBondContact O-N 3.4Å; K599-Y603 HydrophobicContact CD-CE2 4.24Å; K599-Y603 HydrophobicContact CG-CD1 4.21Å; K599-Y603 HydrophobicContact CG-CD2 4.22Å; K599-Y603 HydrophobicContact CG-CE1 4.01Å; K599-Y603 HydrophobicContact CG-CE2 4.01Å; K599-Y603 HydrophobicContact CG-CG 4.34Å; K599-Y603 WeakPolarHBondContact O-CB 3.36Å; K599-Y603 WeakPolarHBondContact O-CD1 3.4Å; K599-Y603 PolarHBondContact O-N 3.27Å
600N97.6Very high97.3Very high35 Ų3541.4 Ų41.419%0.18721%0.213CC..Hα-helixtrans-64.1-40.9-178.8-71.7-16000111.7E596 E597 T598 V602 Y603 T604 H638 I643E596-N600 WeakPolarHBondContact O-CB 3.31Å; E596-N600 PolarHBondContact O-N 3.38Å; E596-N600 PolarHBondContact O-ND2 3.48Å; E597-N600 PolarHBondContact O-N 3.49Å; T598-N600 PolarHBondContact O-N 3.02Å; N600-V602 PolarHBondContact O-N 3.3Å; N600-Y603 PolarHBondContact O-N 2.9Å; N600-T604 WeakPolarHBondContact O-CB 3.48Å; N600-T604 PolarHBondContact O-N 3.5Å; N600-T604 PolarHBondContact O-OG1 3.36Å; N600-H638 PolarHBondContact OD1-CE1 3.36Å; N600-H638 VanDerWaalsContact OD1-CE1 3.23Å; N600-I643 HydrophobicContact CB-CD1 3.97Å; N600-I643 WeakPolarHBondContact OD1-CD1 3.4Å
601H97.3Very high97.4Very high68 Ų6839.1 Ų39.132%0.31521%0.205SC..Hα-helixtrans-60.2-48.2176.4-170.9103000112F550 E597 T598 K599 K605F550-H601 AromaticContact CE2-CD2 3.73Å; F550-H601 HydrophobicContact CZ-CB 3.83Å; F550-H601 AromaticContact CZ-CD2 3.44Å; F550-H601 VanDerWaalsContact CZ-CD2 3.44Å; F550-H601 WeakPolarHBondContact CZ-CD2 3.44Å; F550-H601 AromaticContact CZ-CG 3.64Å; E597-H601 PolarHBondContact O-N 3.39Å; T598-H601 PolarHBondContact O-N 3.18Å; K599-H601 VanDerWaalsContact C-N 3.34Å; K599-H601 PolarHBondContact O-N 3.23Å; H601-K605 WeakPolarHBondContact O-CG 3.36Å; H601-K605 PolarHBondContact O-N 3.46Å
602V98.4Very high97.5Very high0 Ų039.5 Ų39.50%021%0.207CC..Hα-helixtrans-65.1-44.3178.7173.80000110.9F550 L558 V587 F591 T598 K599 N600 K605 C606F550-V602 HydrophobicContact CD2-CG2 3.77Å; F550-V602 HydrophobicContact CE2-CG2 3.63Å; F550-V602 HydrophobicContact CZ-CG2 4.45Å; L558-V602 HydrophobicContact CD1-CG1 4.27Å; L558-V602 HydrophobicContact CD1-CG2 4.32Å; V587-V602 HydrophobicContact CG1-CG1 3.83Å; F591-V602 HydrophobicContact CB-CG1 4.47Å; F591-V602 HydrophobicContact CD1-CB 4.23Å; F591-V602 HydrophobicContact CD1-CG1 4.48Å; F591-V602 HydrophobicContact CD1-CG2 3.81Å; F591-V602 HydrophobicContact CD2-CG1 3.96Å; F591-V602 HydrophobicContact CD2-CG2 4.45Å; F591-V602 HydrophobicContact CE1-CG2 3.66Å; F591-V602 HydrophobicContact CE2-CG1 4.29Å; F591-V602 HydrophobicContact CE2-CG2 4.29Å; F591-V602 HydrophobicContact CG-CB 4.24Å; F591-V602 HydrophobicContact CG-CG1 4.05Å; F591-V602 HydrophobicContact CG-CG2 4.21Å; F591-V602 HydrophobicContact CZ-CG2 3.9Å; T598-V602 WeakPolarHBondContact O-CG2 3.21Å; T598-V602 PolarHBondContact O-N 3.1Å; T598-V602 VanDerWaalsContact O-N 3.07Å; K599-V602 PolarHBondContact O-N 3.4Å; N600-V602 PolarHBondContact O-N 3.3Å; V602-K605 PolarHBondContact O-N 2.87Å; V602-C606 WeakPolarHBondContact O-CB 3.43Å; V602-C606 PolarHBondContact O-N 2.7Å; V602-C606 PolarHBondContact O-SG 2.81Å
603Y98.5Very high97.6Very high12 Ų1237.5 Ų37.55%0.04719%0.19CC..Hα-helixtrans-62.1-46.4-179.7-80.219.5000111.6L588 F591 K599 N600 K605 C606 L607 F631 M635 I643L588-Y603 HydrophobicContact CB-CE1 4.26Å; L588-Y603 HydrophobicContact CD2-CD1 3.43Å; L588-Y603 VanDerWaalsContact CD2-CD1 3.43Å; L588-Y603 HydrophobicContact CD2-CE1 3.65Å; L588-Y603 HydrophobicContact CD2-CG 4.08Å; L588-Y603 WeakPolarHBondContact O-CE1 3.23Å; L588-Y603 PolarHBondContact O-OH 3.05Å; F591-Y603 HydrophobicContact CB-CE1 4.19Å; K599-Y603 HydrophobicContact CD-CE2 4.24Å; K599-Y603 HydrophobicContact CG-CD1 4.21Å; K599-Y603 HydrophobicContact CG-CD2 4.22Å; K599-Y603 HydrophobicContact CG-CE1 4.01Å; K599-Y603 HydrophobicContact CG-CE2 4.01Å; K599-Y603 HydrophobicContact CG-CG 4.34Å; K599-Y603 WeakPolarHBondContact O-CB 3.36Å; K599-Y603 WeakPolarHBondContact O-CD1 3.4Å; K599-Y603 PolarHBondContact O-N 3.27Å; N600-Y603 PolarHBondContact O-N 2.9Å; Y603-K605 VanDerWaalsContact C-N 3.34Å; Y603-K605 PolarHBondContact O-N 3.29Å; Y603-C606 PolarHBondContact O-N 3.47Å; Y603-L607 VanDerWaalsContact O-CB 3.24Å; Y603-L607 WeakPolarHBondContact O-CB 3.44Å; Y603-L607 VanDerWaalsContact O-CG 3.3Å; Y603-L607 WeakPolarHBondContact O-CG 3.26Å; Y603-L607 PolarHBondContact O-N 3.32Å; Y603-F631 HydrophobicContact CD2-CE2 4.44Å; Y603-F631 AromaticContact CD2-CZ 3.85Å; Y603-F631 HydrophobicContact CD2-CZ 3.85Å; Y603-F631 HydrophobicContact CE1-CZ 4.27Å; Y603-F631 AromaticContact CE2-CE2 3.7Å; Y603-F631 HydrophobicContact CE2-CE2 3.7Å; Y603-F631 AromaticContact CE2-CZ 3.56Å; Y603-F631 HydrophobicContact CE2-CZ 3.56Å; Y603-F631 HydrophobicContact CG-CZ 4.32Å; Y603-F631 AromaticContact CZ-CE2 3.73Å; Y603-F631 AromaticContact CZ-CZ 3.77Å; Y603-M635 HydrophobicContact CD2-SD 3.83Å; Y603-M635 HydrophobicContact CE2-CE 4.39Å; Y603-M635 HydrophobicContact CE2-SD 3.94Å; Y603-I643 HydrophobicContact CD2-CD1 4.36Å
604T98.1Very high97.8Very high13 Ų1330.2 Ų30.28%0.0815%0.151CC..Hα-helixtrans-56.4-47.1176.3-65.50000111.3N600 G608 Q642 F646N600-T604 WeakPolarHBondContact O-CB 3.48Å; N600-T604 PolarHBondContact O-N 3.5Å; N600-T604 PolarHBondContact O-OG1 3.36Å; T604-G608 PolarHBondContact O-N 3.37Å; T604-Q642 HydrophobicContact CG2-CB 4.26Å; T604-F646 HydrophobicContact CG2-CD2 4.27Å; T604-F646 HydrophobicContact CG2-CE2 3.81Å
605K98.1Very high97.9Very high45 Ų4529.4 Ų29.420%0.19615%0.147CC..Hα-helixtrans-69.2-42.1-179-63.3-65.6178.41730112.7L558 S559 W562 H601 V602 Y603 L609L558-K605 HydrophobicContact CB-CB 3.87Å; L558-K605 HydrophobicContact CB-CG 4.39Å; L558-K605 HydrophobicContact CD1-CB 4.39Å; S559-K605 VanDerWaalsContact OG-CE 3.29Å; S559-K605 WeakPolarHBondContact OG-CE 3.26Å; S559-K605 PolarHBondContact OG-NZ 3.12Å; S559-K605 VanDerWaalsContact OG-NZ 3.15Å; W562-K605 HydrophobicContact CE3-CD 3.51Å; W562-K605 HydrophobicContact CZ3-CD 3.69Å; H601-K605 WeakPolarHBondContact O-CG 3.36Å; H601-K605 PolarHBondContact O-N 3.46Å; V602-K605 PolarHBondContact O-N 2.87Å; Y603-K605 VanDerWaalsContact C-N 3.34Å; Y603-K605 PolarHBondContact O-N 3.29Å; K605-L609 PolarHBondContact O-N 3.45Å
606C98.6Very high97.9Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-65.4-46.3177.7-75.80000111.6Y584 L588 V602 Y603 L609 L610Y584-C606 HydrophobicContact CD1-CB 3.79Å; Y584-C606 HydrophobicContact CE1-CB 3.91Å; L588-C606 HydrophobicContact CD2-CB 3.82Å; L588-C606 HydrophobicContact CG-CB 4.4Å; V602-C606 WeakPolarHBondContact O-CB 3.43Å; V602-C606 PolarHBondContact O-N 2.7Å; V602-C606 PolarHBondContact O-SG 2.81Å; Y603-C606 PolarHBondContact O-N 3.47Å; C606-L609 PolarHBondContact O-N 3.27Å; C606-L610 VanDerWaalsContact O-CG 3.23Å; C606-L610 WeakPolarHBondContact O-CG 3.24Å; C606-L610 PolarHBondContact O-N 2.97Å
607L98.7Very high97.9Very high0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-68.8-34.8178.4-70.7168.7000112.2Y603 L610 N611 F631 F632 M635 I643 F646 I650Y603-L607 VanDerWaalsContact O-CB 3.24Å; Y603-L607 WeakPolarHBondContact O-CB 3.44Å; Y603-L607 VanDerWaalsContact O-CG 3.3Å; Y603-L607 WeakPolarHBondContact O-CG 3.26Å; Y603-L607 PolarHBondContact O-N 3.32Å; L607-L610 PolarHBondContact O-N 3.06Å; L607-N611 WeakPolarHBondContact O-CB 3.3Å; L607-N611 PolarHBondContact O-N 3.22Å; L607-F631 HydrophobicContact CD1-CE1 4.47Å; L607-F631 HydrophobicContact CD2-CE1 4.05Å; L607-F631 HydrophobicContact CG-CE1 4.46Å; L607-F632 HydrophobicContact CD2-CD1 3.78Å; L607-F632 HydrophobicContact CD2-CE1 3.72Å; L607-M635 HydrophobicContact CD1-CG 4.29Å; L607-I643 HydrophobicContact CD1-CB 4.37Å; L607-I643 HydrophobicContact CD1-CG2 3.69Å; L607-F646 HydrophobicContact CB-CB 3.55Å; L607-F646 HydrophobicContact CB-CG 4.34Å; L607-I650 HydrophobicContact CB-CD1 4.5Å; L607-I650 HydrophobicContact CD2-CD1 3.63Å
608G98.3Very high97.9Very high0 Ų026.4 Ų26.40%013%0.127CC..Hα-helixtrans-56.7-49.8172.100000112W562 T604 N611 N612W562-G608 PolarHBondContact NE1-O 3.47Å; T604-G608 PolarHBondContact O-N 3.37Å; G608-N611 WeakPolarHBondContact O-CB 3.24Å; G608-N611 PolarHBondContact O-N 3.11Å; G608-N612 PolarHBondContact O-N 3.12Å; G608-N612 PolarHBondContact O-OD1 2.88Å; G608-N612 VanDerWaalsContact O-OD1 3.08Å
609L98.6Very high97.9Very high0 Ų025.3 Ų25.30%012%0.12CC..Hα-helixtrans-62.6-44.9173.8-179.4151000112.4L561 W562 T565 F575 Y584 K605 C606 N611 N612 V613L561-L609 HydrophobicContact CB-CD1 3.55Å; W562-L609 HydrophobicContact CB-CB 4.3Å; T565-L609 HydrophobicContact CG2-CD1 4.05Å; T565-L609 HydrophobicContact CG2-CG 4.17Å; F575-L609 HydrophobicContact CD1-CD2 3.83Å; F575-L609 HydrophobicContact CD2-CD1 4.16Å; F575-L609 HydrophobicContact CD2-CD2 4.09Å; F575-L609 HydrophobicContact CE1-CD2 3.44Å; F575-L609 VanDerWaalsContact CE1-CD2 3.44Å; F575-L609 HydrophobicContact CE2-CD1 4Å; F575-L609 HydrophobicContact CE2-CD2 3.72Å; F575-L609 HydrophobicContact CG-CD2 4.14Å; F575-L609 HydrophobicContact CZ-CD1 4.46Å; F575-L609 HydrophobicContact CZ-CD2 3.38Å; Y584-L609 HydrophobicContact CD1-CD2 4.46Å; Y584-L609 HydrophobicContact CE1-CB 4.14Å; Y584-L609 HydrophobicContact CE1-CD1 4.22Å; Y584-L609 HydrophobicContact CE1-CD2 3.91Å; Y584-L609 HydrophobicContact CE1-CG 4.33Å; K605-L609 PolarHBondContact O-N 3.45Å; C606-L609 PolarHBondContact O-N 3.27Å; L609-N611 PolarHBondContact O-N 2.95Å; L609-N612 WeakPolarHBondContact O-CB 3.1Å; L609-N612 PolarHBondContact O-N 3.2Å; L609-N612 VanDerWaalsContact O-N 3.09Å; L609-V613 HydrophobicContact CD2-CG2 3.76Å; L609-V613 WeakPolarHBondContact O-CG2 3.4Å; L609-V613 PolarHBondContact O-N 3.24Å
610L98.7Very high97.9Very high1 Ų124.9 Ų24.91%0.00512%0.118CC..Hα-helixtrans-66.3-28.3-178.1-68173.6000112.4F575 L581 Y584 L588 C606 L607 V613 A614 L623 F632 I650F575-L610 HydrophobicContact CE1-CD2 4.25Å; L581-L610 HydrophobicContact CD2-CD2 3.41Å; L581-L610 VanDerWaalsContact CD2-CD2 3.41Å; Y584-L610 HydrophobicContact CD1-CD1 4.32Å; Y584-L610 HydrophobicContact CD1-CD2 4.25Å; Y584-L610 HydrophobicContact CD1-CG 4.11Å; L588-L610 HydrophobicContact CD1-CD1 4.42Å; C606-L610 VanDerWaalsContact O-CG 3.23Å; C606-L610 WeakPolarHBondContact O-CG 3.24Å; C606-L610 PolarHBondContact O-N 2.97Å; L607-L610 PolarHBondContact O-N 3.06Å; L610-V613 PolarHBondContact O-N 3.11Å; L610-A614 WeakPolarHBondContact O-CB 3.19Å; L610-A614 PolarHBondContact O-N 3.39Å; L610-L623 HydrophobicContact CD2-CD2 4Å; L610-F632 HydrophobicContact CD1-CE1 4.06Å; L610-F632 HydrophobicContact CD1-CZ 4.14Å; L610-I650 HydrophobicContact CB-CD1 3.73Å; L610-I650 HydrophobicContact CB-CG1 4.4Å
611N98.6Very high97.9Very high6 Ų627.1 Ų27.13%0.03213%0.127CC..Hα-helixtrans-63-47.5169178.175.9000110.8L607 G608 L609 V613 A614 E615 F646 G649 I650L607-N611 WeakPolarHBondContact O-CB 3.3Å; L607-N611 PolarHBondContact O-N 3.22Å; G608-N611 WeakPolarHBondContact O-CB 3.24Å; G608-N611 PolarHBondContact O-N 3.11Å; L609-N611 PolarHBondContact O-N 2.95Å; N611-V613 PolarHBondContact O-N 3.48Å; N611-A614 WeakPolarHBondContact O-CA 3.18Å; N611-A614 WeakPolarHBondContact O-CB 3.48Å; N611-A614 PolarHBondContact O-N 2.89Å; N611-E615 PolarHBondContact ND2-OE1 3Å; N611-E615 WeakPolarHBondContact O-CG 3.26Å; N611-E615 PolarHBondContact O-N 3.47Å; N611-F646 HydrophobicContact CB-CD1 4.12Å; N611-G649 VanDerWaalsContact OD1-CA 3.25Å; N611-G649 WeakPolarHBondContact OD1-CA 3.42Å; N611-I650 HydrophobicContact CB-CG1 3.99Å; N611-I650 PolarHBondContact OD1-N 3.38Å
612N98.4Very high97.8Very high7 Ų725.5 Ų25.54%0.03712%0.124CC..Hα-helixtrans-62.3-32.9175.6-62.515.1000112.1W562 D566 C572 G608 L609W562-N612 VanDerWaalsContact CD1-ND2 3.32Å; D566-N612 WeakPolarHBondContact CA-ND2 3.45Å; D566-N612 PolarHBondContact N-ND2 3.06Å; D566-N612 PolarHBondContact OD1-ND2 3.35Å; C572-N612 PolarHBondContact SG-O 3.49Å; C572-N612 VanDerWaalsContact SG-O 3.39Å; G608-N612 PolarHBondContact O-N 3.12Å; G608-N612 PolarHBondContact O-OD1 2.88Å; G608-N612 VanDerWaalsContact O-OD1 3.08Å; L609-N612 WeakPolarHBondContact O-CB 3.1Å; L609-N612 PolarHBondContact O-N 3.2Å; L609-N612 VanDerWaalsContact O-N 3.09Å
613V98.5Very high97.8Very high0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-65.3-49.2170176.60000109.6C572 F575 V576 L609 L610 N611 E615 V616 T619 L623C572-V613 HydrophobicContact CB-CG2 4.26Å; F575-V613 HydrophobicContact CD1-CG2 3.93Å; F575-V613 HydrophobicContact CE1-CG2 4.3Å; V576-V613 HydrophobicContact CG2-CG1 3.77Å; L609-V613 HydrophobicContact CD2-CG2 3.76Å; L609-V613 WeakPolarHBondContact O-CG2 3.4Å; L609-V613 PolarHBondContact O-N 3.24Å; L610-V613 PolarHBondContact O-N 3.11Å; N611-V613 PolarHBondContact O-N 3.48Å; V613-E615 PolarHBondContact O-N 3.19Å; V613-V616 PolarHBondContact O-N 2.99Å; V613-T619 HydrophobicContact CG1-CG2 4.44Å; V613-T619 VanDerWaalsContact CG1-OG1 3.26Å; V613-T619 WeakPolarHBondContact CG1-OG1 3.47Å; V613-T619 PolarHBondContact O-OG1 3.26Å; V613-L623 HydrophobicContact CB-CD1 4.39Å; V613-L623 HydrophobicContact CG1-CD1 3.93Å; V613-L623 HydrophobicContact CG1-CG 4.25Å
614A98.4Very high97.7Very high0 Ų025.2 Ų25.20%012%0.123CC..Hα-helixtrans-59.9-30.1-179.800000113.7L610 N611 V616 R620 L623 I650 H653L610-A614 WeakPolarHBondContact O-CB 3.19Å; L610-A614 PolarHBondContact O-N 3.39Å; N611-A614 WeakPolarHBondContact O-CA 3.18Å; N611-A614 WeakPolarHBondContact O-CB 3.48Å; N611-A614 PolarHBondContact O-N 2.89Å; A614-V616 PolarHBondContact O-N 3.45Å; A614-R620 WeakPolarHBondContact O-CG 3.38Å; A614-R620 PolarHBondContact O-NE 2.93Å; A614-L623 HydrophobicContact CB-CD1 3.68Å; A614-I650 HydrophobicContact CB-CB 4.44Å; A614-I650 HydrophobicContact CB-CG1 4.43Å; A614-I650 HydrophobicContact CB-CG2 4.26Å; A614-H653 HydrophobicContact CB-CB 3.78Å; A614-H653 WeakPolarHBondContact O-CB 3.42Å
615E97.4Very high97.5Very high40 Ų4028 Ų2819%0.18713%0.134CC..Hα-helixtrans-56.8-37.7172.9-74.3167.6-155.700112.1N611 V613 E617 R620 H653 P699N611-E615 PolarHBondContact ND2-OE1 3Å; N611-E615 WeakPolarHBondContact O-CG 3.26Å; N611-E615 PolarHBondContact O-N 3.47Å; V613-E615 PolarHBondContact O-N 3.19Å; E615-E617 PolarHBondContact O-N 3.4Å; E615-R620 PolarHBondContact O-NH2 3.45Å; E615-H653 VanDerWaalsContact CG-CE1 3.43Å; E615-H653 WeakPolarHBondContact CG-CE1 3.48Å; E615-H653 WeakPolarHBondContact CG-NE2 3.06Å; E615-P699 HydrophobicContact CG-CB 4.31Å
616V97.5Very high97.3Very high14 Ų1428.7 Ų28.79%0.08514%0.138CC..SBendtrans-81.3107.7-177.2-178.70000111.2P569 C572 V613 A614 Q618 T619 R620P569-V616 HydrophobicContact CB-CG1 3.98Å; P569-V616 HydrophobicContact CB-CG2 4.14Å; P569-V616 HydrophobicContact CG-CG2 4.29Å; C572-V616 HydrophobicContact CB-CB 4.32Å; C572-V616 HydrophobicContact CB-CG2 3.8Å; V613-V616 PolarHBondContact O-N 2.99Å; A614-V616 PolarHBondContact O-N 3.45Å; V616-Q618 VanDerWaalsContact C-N 3.29Å; V616-Q618 VanDerWaalsContact CG1-OE1 3.25Å; V616-Q618 PolarHBondContact O-N 2.89Å; V616-Q618 VanDerWaalsContact O-N 3.13Å; V616-T619 HydrophobicContact CB-CG2 4.35Å; V616-T619 HydrophobicContact CG1-CG2 4.04Å; V616-T619 PolarHBondContact O-N 3.07Å; V616-T619 PolarHBondContact O-OG1 3.04Å; V616-R620 PolarHBondContact O-N 2.93Å
617E95.7Very high97.1Very high127 Ų12730.9 Ų30.959%0.59315%0.153SC*.Hα-helixtrans-47.7-46-174.9-170.9-177.1172.200113.6E615 T619 R620E615-E617 PolarHBondContact O-N 3.4Å; E617-T619 PolarHBondContact O-N 2.93Å; E617-T619 VanDerWaalsContact O-N 3.09Å; E617-R620 PolarHBondContact O-N 2.88Å
618Q96.7Very high97Very high137 Ų13731 Ų3164%0.6415%0.153SC*.Hα-helixtrans-65.3-15.9-177.5-58.190.1-14.400113.8L573 V616L573-Q618 HydrophobicContact CD2-CB 4.01Å; V616-Q618 VanDerWaalsContact C-N 3.29Å; V616-Q618 VanDerWaalsContact CG1-OE1 3.25Å; V616-Q618 PolarHBondContact O-N 2.89Å; V616-Q618 VanDerWaalsContact O-N 3.13Å
619T97.5Very high96.9Very high2 Ų231 Ų311%0.01215%0.153CC..Hα-helixtrans-104.7-12-179.670.20000113.5L573 V576 V613 V616 E617 E621 S622L573-T619 HydrophobicContact CD2-CG2 3.69Å; L573-T619 HydrophobicContact CG-CG2 4.04Å; V576-T619 HydrophobicContact CG2-CG2 4.07Å; V613-T619 HydrophobicContact CG1-CG2 4.44Å; V613-T619 VanDerWaalsContact CG1-OG1 3.26Å; V613-T619 WeakPolarHBondContact CG1-OG1 3.47Å; V613-T619 PolarHBondContact O-OG1 3.26Å; V616-T619 HydrophobicContact CB-CG2 4.35Å; V616-T619 HydrophobicContact CG1-CG2 4.04Å; V616-T619 PolarHBondContact O-N 3.07Å; V616-T619 PolarHBondContact O-OG1 3.04Å; E617-T619 PolarHBondContact O-N 2.93Å; E617-T619 VanDerWaalsContact O-N 3.09Å; T619-E621 VanDerWaalsContact C-N 3.33Å; T619-E621 PolarHBondContact O-N 3.25Å; T619-S622 WeakPolarHBondContact O-CB 3.34Å; T619-S622 PolarHBondContact O-N 2.92Å; T619-S622 PolarHBondContact O-OG 3.19Å
620R97.4Very high96.8Very high16 Ų1635.1 Ų35.16%0.0618%0.176CC..Hα-helixtrans-55.7-44.4-176.8-70.4179.9-173.7161.85.8112.9A614 E615 V616 E617 S622 L623 L654 L657A614-R620 WeakPolarHBondContact O-CG 3.38Å; A614-R620 PolarHBondContact O-NE 2.93Å; E615-R620 PolarHBondContact O-NH2 3.45Å; V616-R620 PolarHBondContact O-N 2.93Å; E617-R620 PolarHBondContact O-N 2.88Å; R620-S622 PolarHBondContact O-N 3.35Å; R620-L623 WeakPolarHBondContact O-CB 3.38Å; R620-L623 PolarHBondContact O-N 3.43Å; R620-L623 VanDerWaalsContact O-N 3.13Å; R620-L654 HydrophobicContact CB-CD2 3.76Å; R620-L654 HydrophobicContact CG-CD2 4.12Å; R620-L654 VanDerWaalsContact O-CD2 3.25Å; R620-L654 WeakPolarHBondContact O-CD2 3.33Å; R620-L657 HydrophobicContact CB-CD1 3.94Å; R620-L657 HydrophobicContact CB-CD2 3.93Å; R620-L657 HydrophobicContact CB-CG 4.12Å
621E96.2Very high96.7Very high81 Ų8136.6 Ų36.638%0.37918%0.182SC..Hα-helixtrans-60.2-35.2177.9-175.8174.9172.100112.2T619 L623 L624 I661 R664T619-E621 VanDerWaalsContact C-N 3.33Å; T619-E621 PolarHBondContact O-N 3.25Å; E621-L623 PolarHBondContact O-N 3.09Å; E621-L624 WeakPolarHBondContact O-CB 3.45Å; E621-L624 PolarHBondContact O-N 3.28Å; E621-L624 VanDerWaalsContact O-N 3.08Å; E621-I661 HydrophobicContact CB-CG2 4.4Å; E621-I661 HydrophobicContact CG-CG2 4.08Å; E621-R664 IonicContact OE1-CZ 3.91Å; E621-R664 IonicContact OE1-NE 2.87Å; E621-R664 IonicContact OE1-NH2 2.74Å; E621-R664 PolarHBondContact OE1-NH2 3.09Å; E621-R664 IonicContact OE2-NH2 3.04Å; E621-R664 PolarHBondContact OE2-NH2 3.35Å
622S95.8Very high96.7Very high35 Ų3536.3 Ų36.325%0.24518%0.181CC..Hα-helixtrans-67-20.5-179.474.70000113.9V576 L581 T619 R620V576-S622 WeakPolarHBondContact CG1-OG 3.39Å; L581-S622 VanDerWaalsContact CD1-O 3.3Å; L581-S622 WeakPolarHBondContact CD1-O 3.16Å; L581-S622 WeakPolarHBondContact CD1-OG 3.24Å; T619-S622 WeakPolarHBondContact O-CB 3.34Å; T619-S622 PolarHBondContact O-N 2.92Å; T619-S622 PolarHBondContact O-OG 3.19Å; R620-S622 PolarHBondContact O-N 3.35Å
623L97.4Very high96.6Very high0 Ų038.6 Ų38.60%019%0.19CC..Hα-helixtrans-83.9-17.5175.2-73.2165.4000113.2L581 L610 V613 A614 R620 E621 K625 F632 L654L581-L623 HydrophobicContact CD1-CD2 4.4Å; L581-L623 HydrophobicContact CD2-CD2 3.51Å; L581-L623 HydrophobicContact CD2-CG 4.39Å; L610-L623 HydrophobicContact CD2-CD2 4Å; V613-L623 HydrophobicContact CB-CD1 4.39Å; V613-L623 HydrophobicContact CG1-CD1 3.93Å; V613-L623 HydrophobicContact CG1-CG 4.25Å; A614-L623 HydrophobicContact CB-CD1 3.68Å; R620-L623 WeakPolarHBondContact O-CB 3.38Å; R620-L623 PolarHBondContact O-N 3.43Å; R620-L623 VanDerWaalsContact O-N 3.13Å; E621-L623 PolarHBondContact O-N 3.09Å; L623-K625 PolarHBondContact O-N 3.38Å; L623-F632 HydrophobicContact CD2-CZ 4.47Å; L623-L654 HydrophobicContact CB-CD1 3.95Å; L623-L654 HydrophobicContact CB-CD2 3.94Å; L623-L654 HydrophobicContact CD1-CD2 4.07Å
624L96.3Very high96.6Very high5 Ų545.7 Ų45.73%0.02622%0.221CC..  trans-73.767.3177.3-67.5-177.2000111.3E621 M629 L654 L657 I661 W662 N665 I666E621-L624 WeakPolarHBondContact O-CB 3.45Å; E621-L624 PolarHBondContact O-N 3.28Å; E621-L624 VanDerWaalsContact O-N 3.08Å; L624-M629 HydrophobicContact CD2-CE 4.35Å; L624-M629 HydrophobicContact CD2-SD 4.1Å; L624-L654 HydrophobicContact CD2-CB 4.39Å; L624-L654 HydrophobicContact CD2-CD1 4.29Å; L624-L657 HydrophobicContact CD1-CD1 3.5Å; L624-L657 HydrophobicContact CD2-CD1 4.38Å; L624-L657 HydrophobicContact CG-CD1 3.95Å; L624-I661 HydrophobicContact CD1-CG2 4.06Å; L624-W662 HydrophobicContact CD2-CE3 3.98Å; L624-W662 HydrophobicContact CD2-CZ3 4.06Å; L624-N665 HydrophobicContact CB-CB 3.7Å; L624-N665 HydrophobicContact CD1-CB 4.13Å; L624-I666 HydrophobicContact CB-CD1 4.46Å; L624-I666 HydrophobicContact CB-CG1 4.18Å; L624-I666 HydrophobicContact CD2-CG1 4.04Å
625K93.9Very high96.6Very high73 Ų7346 Ų4632%0.31722%0.223SC..  trans-113.3133.2170.6-61.7-176.2-177.9-1780109.2L623 S627 L628 M629L623-K625 PolarHBondContact O-N 3.38Å; K625-S627 PolarHBondContact O-N 2.91Å; K625-S627 VanDerWaalsContact O-N 3.14Å; K625-L628 HydrophobicContact CB-CB 4.35Å; K625-L628 HydrophobicContact CB-CD1 4.32Å; K625-L628 HydrophobicContact CB-CG 4.39Å; K625-L628 HydrophobicContact CD-CD1 4.24Å; K625-L628 PolarHBondContact O-N 3.03Å; K625-M629 WeakPolarHBondContact O-CG 3.38Å; K625-M629 PolarHBondContact O-N 3.33Å
626E94.3Very high96.6Very high59 Ų5944.2 Ų44.228%0.27621%0.214SC..Hα-helixtrans-49-44.3-179.9-79.2-68173.200113.1L628 M629 N630 I666 Q667E626-L628 PolarHBondContact O-N 3.28Å; E626-M629 PolarHBondContact O-N 3.11Å; E626-N630 VanDerWaalsContact O-CB 3.26Å; E626-N630 WeakPolarHBondContact O-CB 3.33Å; E626-N630 VanDerWaalsContact O-CG 3.25Å; E626-N630 PolarHBondContact O-N 3.22Å; E626-N630 PolarHBondContact O-ND2 3.16Å; E626-N630 PolarHBondContact OE2-ND2 2.82Å; E626-I666 HydrophobicContact CG-CD1 4.34Å; E626-I666 WeakPolarHBondContact OE1-CA 3.26Å; E626-Q667 PolarHBondContact OE1-N 3.39Å
627S94Very high96.6Very high45 Ų4551.4 Ų51.432%0.31524%0.24SC..Hα-helixtrans-63-40.7178.952.70000113.5E585 K625 F631E585-S627 WeakPolarHBondContact OE1-CB 3.45Å; E585-S627 PolarHBondContact OE1-OG 3.23Å; E585-S627 PolarHBondContact OE2-OG 3.4Å; K625-S627 PolarHBondContact O-N 2.91Å; K625-S627 VanDerWaalsContact O-N 3.14Å; S627-F631 WeakPolarHBondContact O-CB 3.3Å; S627-F631 PolarHBondContact O-N 3.33Å
628L96.5Very high96.6Very high2 Ų246.6 Ų46.61%0.0122%0.218CC..Hα-helixtrans-73.8-44.3177.7-71.7177.8000111.3E585 K625 E626 N630 F631 F632E585-L628 HydrophobicContact CB-CD2 3.99Å; E585-L628 HydrophobicContact CG-CD2 4.05Å; K625-L628 HydrophobicContact CB-CB 4.35Å; K625-L628 HydrophobicContact CB-CD1 4.32Å; K625-L628 HydrophobicContact CB-CG 4.39Å; K625-L628 HydrophobicContact CD-CD1 4.24Å; K625-L628 PolarHBondContact O-N 3.03Å; E626-L628 PolarHBondContact O-N 3.28Å; L628-N630 PolarHBondContact O-N 2.88Å; L628-F631 CarbonylContact O-C 3.56Å; L628-F631 WeakPolarHBondContact O-CA 3.4Å; L628-F631 WeakPolarHBondContact O-CB 3.24Å; L628-F631 PolarHBondContact O-N 3.46Å; L628-F631 VanDerWaalsContact O-N 3.07Å; L628-F632 HydrophobicContact CB-CE2 3.79Å; L628-F632 HydrophobicContact CB-CZ 3.93Å; L628-F632 HydrophobicContact CD2-CZ 4.28Å; L628-F632 WeakPolarHBondContact O-CD2 3.35Å; L628-F632 WeakPolarHBondContact O-CG 3.42Å; L628-F632 PolarHBondContact O-N 2.93Å
629M97.3Very high96.5Very high0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-63.2-43179.4-67.5-55-65.300111.8L624 K625 E626 F631 F632 F633 I651 L654 W662 I666 Y673L624-M629 HydrophobicContact CD2-CE 4.35Å; L624-M629 HydrophobicContact CD2-SD 4.1Å; K625-M629 WeakPolarHBondContact O-CG 3.38Å; K625-M629 PolarHBondContact O-N 3.33Å; E626-M629 PolarHBondContact O-N 3.11Å; M629-F631 VanDerWaalsContact C-N 3.27Å; M629-F631 PolarHBondContact O-N 3.48Å; M629-F632 PolarHBondContact O-N 3.33Å; M629-F632 HydrophobicContact SD-CD2 3.86Å; M629-F632 HydrophobicContact SD-CE2 4.29Å; M629-F633 WeakPolarHBondContact O-CB 3.47Å; M629-F633 PolarHBondContact O-N 2.74Å; M629-I651 HydrophobicContact CE-CD1 3.47Å; M629-I651 VanDerWaalsContact CE-CD1 3.47Å; M629-I651 HydrophobicContact SD-CD1 4.32Å; M629-L654 HydrophobicContact CE-CD1 4.21Å; M629-L654 HydrophobicContact SD-CD1 3.54Å; M629-L654 VanDerWaalsContact SD-CD1 3.54Å; M629-W662 HydrophobicContact CE-CH2 3.44Å; M629-W662 VanDerWaalsContact CE-CH2 3.44Å; M629-W662 HydrophobicContact CE-CZ2 4.19Å; M629-W662 HydrophobicContact CE-CZ3 3.97Å; M629-I666 HydrophobicContact CB-CD1 3.95Å; M629-I666 HydrophobicContact CG-CD1 3.43Å; M629-I666 VanDerWaalsContact CG-CD1 3.43Å; M629-I666 HydrophobicContact CG-CG1 3.99Å; M629-Y673 HydrophobicContact CB-CE1 4.28Å; M629-Y673 HydrophobicContact CE-CD1 3.96Å; M629-Y673 HydrophobicContact CE-CE1 3.73Å
630N96Very high96.4Very high87 Ų8747.7 Ų47.747%0.46524%0.237SC..Hα-helixtrans-61.2-37.3172.6-75.5-51.7000112E626 L628 K634E626-N630 VanDerWaalsContact O-CB 3.26Å; E626-N630 WeakPolarHBondContact O-CB 3.33Å; E626-N630 VanDerWaalsContact O-CG 3.25Å; E626-N630 PolarHBondContact O-N 3.22Å; E626-N630 PolarHBondContact O-ND2 3.16Å; E626-N630 PolarHBondContact OE2-ND2 2.82Å; L628-N630 PolarHBondContact O-N 2.88Å; N630-K634 PolarHBondContact O-N 2.95Å; N630-K634 VanDerWaalsContact O-N 3.1Å
631F97.5Very high96.3Very high33 Ų3348.4 Ų48.415%0.14524%0.241CC..Hα-helixtrans-64.8-50.1174.1-179.9-95.5000111.7L588 Y603 L607 S627 L628 M629 F633 K634 M635L588-F631 HydrophobicContact CB-CE2 4.27Å; L588-F631 HydrophobicContact CB-CZ 4.15Å; L588-F631 HydrophobicContact CD1-CD1 4.05Å; L588-F631 HydrophobicContact CD1-CE1 3.69Å; L588-F631 HydrophobicContact CD1-CZ 4.1Å; L588-F631 HydrophobicContact CD2-CE1 4.05Å; L588-F631 HydrophobicContact CD2-CZ 3.81Å; L588-F631 HydrophobicContact CG-CE1 4.31Å; L588-F631 HydrophobicContact CG-CZ 4.23Å; Y603-F631 HydrophobicContact CD2-CE2 4.44Å; Y603-F631 AromaticContact CD2-CZ 3.85Å; Y603-F631 HydrophobicContact CD2-CZ 3.85Å; Y603-F631 HydrophobicContact CE1-CZ 4.27Å; Y603-F631 AromaticContact CE2-CE2 3.7Å; Y603-F631 HydrophobicContact CE2-CE2 3.7Å; Y603-F631 AromaticContact CE2-CZ 3.56Å; Y603-F631 HydrophobicContact CE2-CZ 3.56Å; Y603-F631 HydrophobicContact CG-CZ 4.32Å; Y603-F631 AromaticContact CZ-CE2 3.73Å; Y603-F631 AromaticContact CZ-CZ 3.77Å; L607-F631 HydrophobicContact CD1-CE1 4.47Å; L607-F631 HydrophobicContact CD2-CE1 4.05Å; L607-F631 HydrophobicContact CG-CE1 4.46Å; S627-F631 WeakPolarHBondContact O-CB 3.3Å; S627-F631 PolarHBondContact O-N 3.33Å; L628-F631 CarbonylContact O-C 3.56Å; L628-F631 WeakPolarHBondContact O-CA 3.4Å; L628-F631 WeakPolarHBondContact O-CB 3.24Å; L628-F631 PolarHBondContact O-N 3.46Å; L628-F631 VanDerWaalsContact O-N 3.07Å; M629-F631 VanDerWaalsContact C-N 3.27Å; M629-F631 PolarHBondContact O-N 3.48Å; F631-F633 VanDerWaalsContact C-N 3.33Å; F631-F633 PolarHBondContact O-N 3.49Å; F631-K634 WeakPolarHBondContact O-CB 3.39Å; F631-K634 PolarHBondContact O-N 2.84Å; F631-M635 HydrophobicContact CD1-CG 3.91Å; F631-M635 HydrophobicContact CD2-CE 4.48Å; F631-M635 HydrophobicContact CE1-CG 3.48Å; F631-M635 VanDerWaalsContact CE1-CG 3.48Å; F631-M635 HydrophobicContact CE1-SD 4.31Å; F631-M635 HydrophobicContact CE2-CE 4.04Å; F631-M635 HydrophobicContact CE2-CG 4.15Å; F631-M635 HydrophobicContact CE2-SD 4.16Å; F631-M635 HydrophobicContact CG-CG 4.41Å; F631-M635 HydrophobicContact CZ-CE 4.29Å; F631-M635 HydrophobicContact CZ-CG 3.6Å; F631-M635 HydrophobicContact CZ-SD 3.81Å; F631-M635 VanDerWaalsContact O-CG 3.31Å; F631-M635 WeakPolarHBondContact O-CG 3.34Å; F631-M635 PolarHBondContact O-N 2.82Å
632F98.1Very high96.3Very high0 Ų047.3 Ų47.30%024%0.236CC..Hα-helixtrans-60.7-42.2178.2-55.6-35.4000111.8L607 L610 L623 L628 M629 K634 M635 L636 I650 I651L607-F632 HydrophobicContact CD2-CD1 3.78Å; L607-F632 HydrophobicContact CD2-CE1 3.72Å; L610-F632 HydrophobicContact CD1-CE1 4.06Å; L610-F632 HydrophobicContact CD1-CZ 4.14Å; L623-F632 HydrophobicContact CD2-CZ 4.47Å; L628-F632 HydrophobicContact CB-CE2 3.79Å; L628-F632 HydrophobicContact CB-CZ 3.93Å; L628-F632 HydrophobicContact CD2-CZ 4.28Å; L628-F632 WeakPolarHBondContact O-CD2 3.35Å; L628-F632 WeakPolarHBondContact O-CG 3.42Å; L628-F632 PolarHBondContact O-N 2.93Å; M629-F632 PolarHBondContact O-N 3.33Å; M629-F632 HydrophobicContact SD-CD2 3.86Å; M629-F632 HydrophobicContact SD-CE2 4.29Å; F632-K634 VanDerWaalsContact C-N 3.32Å; F632-K634 PolarHBondContact O-N 2.82Å; F632-M635 PolarHBondContact O-N 3.49Å; F632-L636 PolarHBondContact O-N 3.48Å; F632-I650 HydrophobicContact CD1-CD1 4.08Å; F632-I650 HydrophobicContact CD2-CG2 3.73Å; F632-I650 HydrophobicContact CE1-CD1 3.81Å; F632-I650 HydrophobicContact CE2-CG2 3.64Å; F632-I650 HydrophobicContact CG-CG2 4.24Å; F632-I650 HydrophobicContact CZ-CD1 4.18Å; F632-I650 HydrophobicContact CZ-CG2 4.07Å; F632-I651 HydrophobicContact CB-CD1 3.82Å; F632-I651 HydrophobicContact CB-CG1 4.14Å; F632-I651 HydrophobicContact CD2-CD1 4.38Å
633F97.1Very high96.3Very high54 Ų5445.7 Ų45.724%0.23723%0.225CC..Hα-helixtrans-58.1-43.4175.4-167.8-98000112M629 F631 Y673 L676M629-F633 WeakPolarHBondContact O-CB 3.47Å; M629-F633 PolarHBondContact O-N 2.74Å; F631-F633 VanDerWaalsContact C-N 3.33Å; F631-F633 PolarHBondContact O-N 3.49Å; F633-Y673 HydrophobicContact CB-CD1 4.26Å; F633-Y673 HydrophobicContact CB-CE1 3.68Å; F633-Y673 AromaticContact CD2-CD1 3.57Å; F633-Y673 HydrophobicContact CD2-CD1 3.57Å; F633-Y673 HydrophobicContact CD2-CD2 4.31Å; F633-Y673 AromaticContact CD2-CE1 3.58Å; F633-Y673 HydrophobicContact CD2-CE1 3.58Å; F633-Y673 HydrophobicContact CD2-CE2 4.28Å; F633-Y673 AromaticContact CD2-CG 3.96Å; F633-Y673 HydrophobicContact CD2-CG 3.96Å; F633-Y673 AromaticContact CD2-CZ 3.95Å; F633-Y673 HydrophobicContact CE2-CD1 4.43Å; F633-Y673 HydrophobicContact CE2-CG 4.4Å; F633-Y673 HydrophobicContact CG-CD1 4.39Å; F633-Y673 HydrophobicContact CG-CE1 4.04Å; F633-L676 HydrophobicContact CD1-CD2 4.08Å; F633-L676 HydrophobicContact CD2-CD2 3.77Å; F633-L676 HydrophobicContact CE1-CD2 3.77Å; F633-L676 HydrophobicContact CE2-CB 4.12Å; F633-L676 HydrophobicContact CE2-CD2 3.45Å; F633-L676 VanDerWaalsContact CE2-CD2 3.45Å; F633-L676 HydrophobicContact CE2-CG 4.42Å; F633-L676 HydrophobicContact CG-CD2 4.1Å; F633-L676 HydrophobicContact CZ-CD2 3.45Å; F633-L676 VanDerWaalsContact CZ-CD2 3.45Å
634K97.3Very high96.4Very high150 Ų15045.7 Ų45.765%0.65223%0.225SC*.Hα-helixtrans-64.4-40.7173.4-173.5-175.9177.3-178.80111.4N630 F631 F632 L636 R637N630-K634 PolarHBondContact O-N 2.95Å; N630-K634 VanDerWaalsContact O-N 3.1Å; F631-K634 WeakPolarHBondContact O-CB 3.39Å; F631-K634 PolarHBondContact O-N 2.84Å; F632-K634 VanDerWaalsContact C-N 3.32Å; F632-K634 PolarHBondContact O-N 2.82Å; K634-L636 VanDerWaalsContact C-N 3.31Å; K634-L636 PolarHBondContact O-N 2.79Å; K634-R637 PolarHBondContact O-N 3.27Å
635M98Very high96.5Very high7 Ų745.6 Ų45.63%0.03422%0.224CC..Hα-helixtrans-70.3-23.4-176.8-69.6-52.510000113.5Y603 L607 F631 F632 R637 H638 I643 S644 A647Y603-M635 HydrophobicContact CD2-SD 3.83Å; Y603-M635 HydrophobicContact CE2-CE 4.39Å; Y603-M635 HydrophobicContact CE2-SD 3.94Å; L607-M635 HydrophobicContact CD1-CG 4.29Å; F631-M635 HydrophobicContact CD1-CG 3.91Å; F631-M635 HydrophobicContact CD2-CE 4.48Å; F631-M635 HydrophobicContact CE1-CG 3.48Å; F631-M635 VanDerWaalsContact CE1-CG 3.48Å; F631-M635 HydrophobicContact CE1-SD 4.31Å; F631-M635 HydrophobicContact CE2-CE 4.04Å; F631-M635 HydrophobicContact CE2-CG 4.15Å; F631-M635 HydrophobicContact CE2-SD 4.16Å; F631-M635 HydrophobicContact CG-CG 4.41Å; F631-M635 HydrophobicContact CZ-CE 4.29Å; F631-M635 HydrophobicContact CZ-CG 3.6Å; F631-M635 HydrophobicContact CZ-SD 3.81Å; F631-M635 VanDerWaalsContact O-CG 3.31Å; F631-M635 WeakPolarHBondContact O-CG 3.34Å; F631-M635 PolarHBondContact O-N 2.82Å; F632-M635 PolarHBondContact O-N 3.49Å; M635-R637 PolarHBondContact O-N 2.88Å; M635-R637 VanDerWaalsContact O-N 3.15Å; M635-H638 WeakPolarHBondContact O-CB 3.28Å; M635-H638 PolarHBondContact O-N 3.07Å; M635-H638 HydrophobicContact SD-CB 4.35Å; M635-I643 HydrophobicContact CB-CG2 4.05Å; M635-I643 HydrophobicContact CG-CG2 4.07Å; M635-I643 HydrophobicContact SD-CG2 3.57Å; M635-I643 VanDerWaalsContact SD-CG2 3.57Å; M635-S644 WeakPolarHBondContact O-CA 3.42Å; M635-A647 HydrophobicContact CB-CB 3.56Å
636L97.9Very high96.7Very high2 Ų242.3 Ų42.31%0.0121%0.21CC..THydrogen-bonded Turntrans-54.9-31.6171-73174.3000112.7F632 K634 S644 A647 A648 I651 L676 A680F632-L636 PolarHBondContact O-N 3.48Å; K634-L636 VanDerWaalsContact C-N 3.31Å; K634-L636 PolarHBondContact O-N 2.79Å; L636-S644 PolarHBondContact O-OG 2.89Å; L636-A647 HydrophobicContact CD2-CB 4.4Å; L636-A648 VanDerWaalsContact CD2-CA 3.49Å; L636-A648 HydrophobicContact CD2-CB 3.73Å; L636-I651 HydrophobicContact CD1-CG1 4.34Å; L636-L676 HydrophobicContact CB-CD2 4.14Å; L636-L676 HydrophobicContact CB-CG 4.15Å; L636-L676 HydrophobicContact CD1-CB 4.14Å; L636-L676 HydrophobicContact CD1-CD2 3.89Å; L636-L676 HydrophobicContact CD1-CG 3.8Å; L636-A680 HydrophobicContact CB-CB 4.43Å; L636-A680 WeakPolarHBondContact O-CB 3.45Å
637R97.3Very high96.9Very high164 Ų16439.5 Ų39.562%0.61920%0.197SC*.THydrogen-bonded Turntrans-97.713.2178.3-60.6-177.9-176.9134.81.5113.5K634 M635 L676K634-R637 PolarHBondContact O-N 3.27Å; M635-R637 PolarHBondContact O-N 2.88Å; M635-R637 VanDerWaalsContact O-N 3.15Å; R637-L676 HydrophobicContact CG-CD1 4.12Å; R637-L676 HydrophobicContact CG-CD2 4.46Å
638H96.8Very high97.1Very high27 Ų2737.3 Ų37.313%0.12518%0.182CC..  trans-68.4136.1-176.2-165.1-87.3000111.2N600 M635 C640 I643N600-H638 PolarHBondContact OD1-CE1 3.36Å; N600-H638 VanDerWaalsContact OD1-CE1 3.23Å; M635-H638 WeakPolarHBondContact O-CB 3.28Å; M635-H638 PolarHBondContact O-N 3.07Å; M635-H638 HydrophobicContact SD-CB 4.35Å; H638-C640 VanDerWaalsContact C-N 3.28Å; H638-C640 WeakPolarHBondContact ND1-CB 3.35Å; H638-C640 PolarHBondContact ND1-N 3.21Å; H638-C640 VanDerWaalsContact ND1-N 3.11Å; H638-C640 PolarHBondContact O-N 3.49Å; H638-I643 HydrophobicContact CB-CB 4.26Å; H638-I643 HydrophobicContact CB-CG2 3.71Å
639P94.8Very high97.2Very high129 Ų12937.2 Ų37.284%0.83818%0.181SC*.SBendtrans-60.9-33.3-179.2-25.634.2000114.3I641P639-I641 PolarHBondContact O-N 3.4Å
640C94.7Very high97.2Very high32 Ų3237.2 Ų37.222%0.21618%0.181CC..SBendtrans-74.5111.9171.5-179.50000110.2H638 Q642 I643 S644H638-C640 VanDerWaalsContact C-N 3.28Å; H638-C640 WeakPolarHBondContact ND1-CB 3.35Å; H638-C640 PolarHBondContact ND1-N 3.21Å; H638-C640 VanDerWaalsContact ND1-N 3.11Å; H638-C640 PolarHBondContact O-N 3.49Å; C640-Q642 VanDerWaalsContact C-N 3.27Å; C640-Q642 PolarHBondContact O-N 3.1Å; C640-I643 HydrophobicContact CB-CB 4.46Å; C640-I643 HydrophobicContact CB-CD1 4.05Å; C640-I643 HydrophobicContact CB-CG1 4.38Å; C640-I643 PolarHBondContact O-N 3.19Å; C640-I643 VanDerWaalsContact O-N 3.11Å; C640-S644 PolarHBondContact O-N 3.28Å
641I95.2Very high97.3Very high31 Ų3133.1 Ų33.116%0.15916%0.159CC..Hα-helixtrans-57.4-34.7-179-172.4162.3000113.4P639 I643 S644 Y645 W684 Q685 P687 M691 W719P639-I641 PolarHBondContact O-N 3.4Å; I641-I643 VanDerWaalsContact C-N 3.3Å; I641-I643 PolarHBondContact O-N 3.32Å; I641-S644 PolarHBondContact O-N 2.88Å; I641-Y645 WeakPolarHBondContact O-CB 3.32Å; I641-Y645 PolarHBondContact O-N 3.28Å; I641-W684 HydrophobicContact CD1-CB 3.68Å; I641-W684 HydrophobicContact CD1-CD2 4.14Å; I641-W684 HydrophobicContact CD1-CG 3.69Å; I641-W684 HydrophobicContact CG1-CD2 4.16Å; I641-W684 HydrophobicContact CG1-CG 4.03Å; I641-Q685 WeakPolarHBondContact CD1-O 3.36Å; I641-P687 HydrophobicContact CG2-CB 4.47Å; I641-P687 HydrophobicContact CG2-CG 4.23Å; I641-M691 HydrophobicContact CG1-SD 4.25Å; I641-M691 HydrophobicContact CG2-SD 3.96Å; I641-W719 HydrophobicContact CD1-CH2 3.9Å; I641-W719 HydrophobicContact CD1-CZ2 3.93Å
642Q95.4Very high97.4Very high59 Ų5931.5 Ų31.528%0.27615%0.152SC..Hα-helixtrans-60.5-40.8177.6-68.8-180-9.700112.2T604 C640 Y645 F646 M691T604-Q642 HydrophobicContact CG2-CB 4.26Å; C640-Q642 VanDerWaalsContact C-N 3.27Å; C640-Q642 PolarHBondContact O-N 3.1Å; Q642-Y645 PolarHBondContact O-N 3.23Å; Q642-F646 WeakPolarHBondContact O-CD2 3.38Å; Q642-F646 PolarHBondContact O-N 2.87Å; Q642-F646 VanDerWaalsContact O-N 3.13Å; Q642-M691 HydrophobicContact CB-CE 4.37Å; Q642-M691 HydrophobicContact CG-CB 4.33Å; Q642-M691 HydrophobicContact CG-CE 3.98Å; Q642-M691 HydrophobicContact CG-CG 3.99Å; Q642-M691 HydrophobicContact CG-SD 4.34Å
643I97.7Very high97.4Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-69.5-46178.7-70.4170.9000110.4N600 Y603 L607 M635 H638 C640 I641 Y645 F646 A647N600-I643 HydrophobicContact CB-CD1 3.97Å; N600-I643 WeakPolarHBondContact OD1-CD1 3.4Å; Y603-I643 HydrophobicContact CD2-CD1 4.36Å; L607-I643 HydrophobicContact CD1-CB 4.37Å; L607-I643 HydrophobicContact CD1-CG2 3.69Å; M635-I643 HydrophobicContact CB-CG2 4.05Å; M635-I643 HydrophobicContact CG-CG2 4.07Å; M635-I643 HydrophobicContact SD-CG2 3.57Å; M635-I643 VanDerWaalsContact SD-CG2 3.57Å; H638-I643 HydrophobicContact CB-CB 4.26Å; H638-I643 HydrophobicContact CB-CG2 3.71Å; C640-I643 HydrophobicContact CB-CB 4.46Å; C640-I643 HydrophobicContact CB-CD1 4.05Å; C640-I643 HydrophobicContact CB-CG1 4.38Å; C640-I643 PolarHBondContact O-N 3.19Å; C640-I643 VanDerWaalsContact O-N 3.11Å; I641-I643 VanDerWaalsContact C-N 3.3Å; I641-I643 PolarHBondContact O-N 3.32Å; I643-Y645 VanDerWaalsContact C-N 3.3Å; I643-Y645 PolarHBondContact O-N 3.31Å; I643-F646 PolarHBondContact O-N 3.04Å; I643-A647 WeakPolarHBondContact O-CB 3.35Å; I643-A647 PolarHBondContact O-N 3.16Å
644S97.9Very high97.4Very high1 Ų129.1 Ų29.11%0.00714%0.142CC..Hα-helixtrans-60.3-40.7175.8-179.50000111.5M635 L636 C640 I641 A647 A648 W684M635-S644 WeakPolarHBondContact O-CA 3.42Å; L636-S644 PolarHBondContact O-OG 2.89Å; C640-S644 PolarHBondContact O-N 3.28Å; I641-S644 PolarHBondContact O-N 2.88Å; S644-A647 PolarHBondContact O-N 3.47Å; S644-A648 WeakPolarHBondContact O-CB 3.46Å; S644-A648 PolarHBondContact O-N 3.46Å; S644-W684 VanDerWaalsContact OG-CZ2 3.28Å; S644-W684 WeakPolarHBondContact OG-CZ2 3.47Å; S644-W684 PolarHBondContact OG-NE1 3.14Å
645Y98Very high97.4Very high3 Ų322 Ų221%0.01211%0.111CC..Hα-helixtrans-60.6-49.9177.5169.7-91000113.1I641 Q642 I643 A648 G649 W684 M691 V692 Y694 W716 W719 A720I641-Y645 WeakPolarHBondContact O-CB 3.32Å; I641-Y645 PolarHBondContact O-N 3.28Å; Q642-Y645 PolarHBondContact O-N 3.23Å; I643-Y645 VanDerWaalsContact C-N 3.3Å; I643-Y645 PolarHBondContact O-N 3.31Å; Y645-A648 WeakPolarHBondContact O-CB 3.48Å; Y645-A648 PolarHBondContact O-N 2.59Å; Y645-G649 PolarHBondContact O-N 3.11Å; Y645-W684 HydrophobicContact CD2-CH2 4.27Å; Y645-W684 HydrophobicContact CD2-CZ3 4.1Å; Y645-M691 HydrophobicContact CD1-CE 3.91Å; Y645-M691 HydrophobicContact CD2-CE 4.11Å; Y645-M691 HydrophobicContact CG-CE 3.55Å; Y645-V692 HydrophobicContact CD1-CG2 4.35Å; Y645-V692 HydrophobicContact CE1-CG2 4.03Å; Y645-Y694 PolarHBondContact OH-OH 2.9Å; Y645-W716 AromaticContact CD2-NE1 3.74Å; Y645-W716 HydrophobicContact CE2-CZ2 4.17Å; Y645-W716 AromaticContact CE2-NE1 3.61Å; Y645-W716 AromaticContact CZ-CZ2 3.89Å; Y645-W716 PolarHBondContact O-NE1 2.59Å; Y645-W719 HydrophobicContact CD2-CE3 4.15Å; Y645-W719 AromaticContact CD2-CZ3 3.78Å; Y645-W719 HydrophobicContact CD2-CZ3 3.78Å; Y645-W719 HydrophobicContact CE2-CE3 4.32Å; Y645-W719 HydrophobicContact CE2-CZ3 4.18Å; Y645-A720 HydrophobicContact CE2-CB 3.78Å
646F98.5Very high97.2Very high3 Ų321.7 Ų21.71%0.01311%0.11CC..Hα-helixtrans-70.1-36.2178.5-70.8-60.6000112.3W562 T604 L607 N611 Q642 I643 A648 G649 I650 V692W562-F646 HydrophobicContact CH2-CE1 4.24Å; W562-F646 AromaticContact CH2-CE2 3.93Å; W562-F646 HydrophobicContact CH2-CE2 3.93Å; W562-F646 AromaticContact CH2-CZ 3.39Å; W562-F646 HydrophobicContact CH2-CZ 3.39Å; W562-F646 AromaticContact CZ2-CE1 3.71Å; W562-F646 HydrophobicContact CZ2-CE1 3.71Å; W562-F646 HydrophobicContact CZ2-CE2 4.22Å; W562-F646 AromaticContact CZ2-CZ 3.32Å; W562-F646 HydrophobicContact CZ2-CZ 3.32Å; T604-F646 HydrophobicContact CG2-CD2 4.27Å; T604-F646 HydrophobicContact CG2-CE2 3.81Å; L607-F646 HydrophobicContact CB-CB 3.55Å; L607-F646 HydrophobicContact CB-CG 4.34Å; N611-F646 HydrophobicContact CB-CD1 4.12Å; Q642-F646 WeakPolarHBondContact O-CD2 3.38Å; Q642-F646 PolarHBondContact O-N 2.87Å; Q642-F646 VanDerWaalsContact O-N 3.13Å; I643-F646 PolarHBondContact O-N 3.04Å; F646-A648 VanDerWaalsContact C-N 3.31Å; F646-A648 PolarHBondContact O-N 3.33Å; F646-G649 PolarHBondContact O-N 3.29Å; F646-I650 WeakPolarHBondContact O-CG1 3.23Å; F646-I650 PolarHBondContact O-N 3.36Å; F646-V692 HydrophobicContact CE1-CG2 3.97Å; F646-V692 HydrophobicContact CE2-CG2 4.17Å; F646-V692 HydrophobicContact CZ-CG1 4.37Å; F646-V692 HydrophobicContact CZ-CG2 3.37Å
647A98.6Very high97.1Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-61.4-41.5172.700000111.5M635 L636 I643 S644 I650 I651M635-A647 HydrophobicContact CB-CB 3.56Å; L636-A647 HydrophobicContact CD2-CB 4.4Å; I643-A647 WeakPolarHBondContact O-CB 3.35Å; I643-A647 PolarHBondContact O-N 3.16Å; S644-A647 PolarHBondContact O-N 3.47Å; A647-I650 PolarHBondContact O-N 3.24Å; A647-I651 WeakPolarHBondContact O-CG1 3.25Å; A647-I651 PolarHBondContact O-N 3.37Å
648A98.5Very high96.8Very high0 Ų020.9 Ų20.90%011%0.111CC..Hα-helixtrans-62.3-42.9174.300000112.1L636 S644 Y645 F646 I650 I651 A652 L677 W684 W716L636-A648 VanDerWaalsContact CD2-CA 3.49Å; L636-A648 HydrophobicContact CD2-CB 3.73Å; S644-A648 WeakPolarHBondContact O-CB 3.46Å; S644-A648 PolarHBondContact O-N 3.46Å; Y645-A648 WeakPolarHBondContact O-CB 3.48Å; Y645-A648 PolarHBondContact O-N 2.59Å; F646-A648 VanDerWaalsContact C-N 3.31Å; F646-A648 PolarHBondContact O-N 3.33Å; A648-I650 PolarHBondContact O-N 2.79Å; A648-I651 PolarHBondContact O-N 3.2Å; A648-A652 VanDerWaalsContact O-CB 3.27Å; A648-A652 WeakPolarHBondContact O-CB 3.39Å; A648-A652 PolarHBondContact O-N 3.11Å; A648-L677 HydrophobicContact CB-CD1 4.3Å; A648-L677 HydrophobicContact CB-CG 4.21Å; A648-L677 WeakPolarHBondContact O-CD1 3.25Å; A648-W684 HydrophobicContact CB-CH2 3.71Å; A648-W684 HydrophobicContact CB-CZ2 4.07Å; A648-W716 VanDerWaalsContact CB-CD1 3.5Å; A648-W716 HydrophobicContact CB-CG 4.33Å
649G98.2Very high96.5Very high0 Ų023.4 Ų23.40%013%0.125CC..Hα-helixtrans-60.8-43175.600000113.3N611 Y645 F646 A652 H653N611-G649 VanDerWaalsContact OD1-CA 3.25Å; N611-G649 WeakPolarHBondContact OD1-CA 3.42Å; Y645-G649 PolarHBondContact O-N 3.11Å; F646-G649 PolarHBondContact O-N 3.29Å; G649-A652 WeakPolarHBondContact O-CB 3.37Å; G649-A652 PolarHBondContact O-N 3.36Å; G649-H653 PolarHBondContact O-N 2.84Å; G649-H653 VanDerWaalsContact O-N 3.13Å; G649-H653 PolarHBondContact O-ND1 3.38Å
650I98.5Very high96.4Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-60.5-51.5174.4-64.8161.3000110.3L607 L610 N611 A614 F632 F646 A647 A648 A652 H653 L654L607-I650 HydrophobicContact CB-CD1 4.5Å; L607-I650 HydrophobicContact CD2-CD1 3.63Å; L610-I650 HydrophobicContact CB-CD1 3.73Å; L610-I650 HydrophobicContact CB-CG1 4.4Å; N611-I650 HydrophobicContact CB-CG1 3.99Å; N611-I650 PolarHBondContact OD1-N 3.38Å; A614-I650 HydrophobicContact CB-CB 4.44Å; A614-I650 HydrophobicContact CB-CG1 4.43Å; A614-I650 HydrophobicContact CB-CG2 4.26Å; F632-I650 HydrophobicContact CD1-CD1 4.08Å; F632-I650 HydrophobicContact CD2-CG2 3.73Å; F632-I650 HydrophobicContact CE1-CD1 3.81Å; F632-I650 HydrophobicContact CE2-CG2 3.64Å; F632-I650 HydrophobicContact CG-CG2 4.24Å; F632-I650 HydrophobicContact CZ-CD1 4.18Å; F632-I650 HydrophobicContact CZ-CG2 4.07Å; F646-I650 WeakPolarHBondContact O-CG1 3.23Å; F646-I650 PolarHBondContact O-N 3.36Å; A647-I650 PolarHBondContact O-N 3.24Å; A648-I650 PolarHBondContact O-N 2.79Å; I650-A652 VanDerWaalsContact C-N 3.29Å; I650-A652 PolarHBondContact O-N 3.17Å; I650-H653 PolarHBondContact O-N 3.35Å; I650-L654 HydrophobicContact CG2-CD1 3.72Å; I650-L654 HydrophobicContact CG2-CG 4.22Å; I650-L654 VanDerWaalsContact O-CG 3.26Å; I650-L654 WeakPolarHBondContact O-CG 3.49Å; I650-L654 PolarHBondContact O-N 2.92Å
651I98.3Very high96.3Very high0 Ų025.4 Ų25.40%012%0.122CC..Hα-helixtrans-61.6-38.1-179.7-67.5-53.6000111.7M629 F632 L636 A647 A648 L654 S655 Y673 L677M629-I651 HydrophobicContact CE-CD1 3.47Å; M629-I651 VanDerWaalsContact CE-CD1 3.47Å; M629-I651 HydrophobicContact SD-CD1 4.32Å; F632-I651 HydrophobicContact CB-CD1 3.82Å; F632-I651 HydrophobicContact CB-CG1 4.14Å; F632-I651 HydrophobicContact CD2-CD1 4.38Å; L636-I651 HydrophobicContact CD1-CG1 4.34Å; A647-I651 WeakPolarHBondContact O-CG1 3.25Å; A647-I651 PolarHBondContact O-N 3.37Å; A648-I651 PolarHBondContact O-N 3.2Å; I651-L654 PolarHBondContact O-N 3.45Å; I651-S655 VanDerWaalsContact O-CB 3.24Å; I651-S655 WeakPolarHBondContact O-CB 3.48Å; I651-S655 PolarHBondContact O-N 3.24Å; I651-S655 PolarHBondContact O-OG 3.35Å; I651-Y673 HydrophobicContact CD1-CD1 3.61Å; I651-Y673 HydrophobicContact CD1-CE1 4.17Å; I651-Y673 HydrophobicContact CG1-CD1 4.33Å; I651-L677 HydrophobicContact CB-CD1 4.07Å; I651-L677 HydrophobicContact CG2-CB 4.39Å; I651-L677 HydrophobicContact CG2-CD1 3.83Å
652A98.2Very high96.3Very high0 Ų024 Ų240%011%0.114CC..Hα-helixtrans-57.7-52.9176.700000111.3A648 G649 I650 L654 S655 L677 L703 I713 W716A648-A652 VanDerWaalsContact O-CB 3.27Å; A648-A652 WeakPolarHBondContact O-CB 3.39Å; A648-A652 PolarHBondContact O-N 3.11Å; G649-A652 WeakPolarHBondContact O-CB 3.37Å; G649-A652 PolarHBondContact O-N 3.36Å; I650-A652 VanDerWaalsContact C-N 3.29Å; I650-A652 PolarHBondContact O-N 3.17Å; A652-L654 PolarHBondContact O-N 3.16Å; A652-S655 PolarHBondContact O-N 2.82Å; A652-L677 HydrophobicContact CB-CD1 3.94Å; A652-L703 HydrophobicContact CB-CD2 4.13Å; A652-I713 HydrophobicContact CB-CG1 4.28Å; A652-I713 HydrophobicContact CB-CG2 4.05Å; A652-I713 WeakPolarHBondContact O-CD1 3.32Å; A652-W716 HydrophobicContact CB-CD2 4.36Å; A652-W716 HydrophobicContact CB-CE3 4.02Å
653H98.2Very high96.1Very high3 Ų326.7 Ų26.71%0.01413%0.13CC..Hα-helixtrans-65.2-40.3179.3-70.897.7000113.3A614 E615 G649 I650 S655 C656A614-H653 HydrophobicContact CB-CB 3.78Å; A614-H653 WeakPolarHBondContact O-CB 3.42Å; E615-H653 VanDerWaalsContact CG-CE1 3.43Å; E615-H653 WeakPolarHBondContact CG-CE1 3.48Å; E615-H653 WeakPolarHBondContact CG-NE2 3.06Å; G649-H653 PolarHBondContact O-N 2.84Å; G649-H653 VanDerWaalsContact O-N 3.13Å; G649-H653 PolarHBondContact O-ND1 3.38Å; I650-H653 PolarHBondContact O-N 3.35Å; H653-S655 VanDerWaalsContact C-N 3.31Å; H653-S655 PolarHBondContact O-N 3.11Å; H653-C656 WeakPolarHBondContact O-CB 3.46Å; H653-C656 PolarHBondContact O-N 3.2Å
654L97.8Very high95.9Very high0 Ų034.3 Ų34.30%016%0.158CC..Hα-helixtrans-70-29.8178.9-63.6-177.5000112.5R620 L623 L624 M629 I650 I651 A652 C656 L657 W662R620-L654 HydrophobicContact CB-CD2 3.76Å; R620-L654 HydrophobicContact CG-CD2 4.12Å; R620-L654 VanDerWaalsContact O-CD2 3.25Å; R620-L654 WeakPolarHBondContact O-CD2 3.33Å; L623-L654 HydrophobicContact CB-CD1 3.95Å; L623-L654 HydrophobicContact CB-CD2 3.94Å; L623-L654 HydrophobicContact CD1-CD2 4.07Å; L624-L654 HydrophobicContact CD2-CB 4.39Å; L624-L654 HydrophobicContact CD2-CD1 4.29Å; M629-L654 HydrophobicContact CE-CD1 4.21Å; M629-L654 HydrophobicContact SD-CD1 3.54Å; M629-L654 VanDerWaalsContact SD-CD1 3.54Å; I650-L654 HydrophobicContact CG2-CD1 3.72Å; I650-L654 HydrophobicContact CG2-CG 4.22Å; I650-L654 VanDerWaalsContact O-CG 3.26Å; I650-L654 WeakPolarHBondContact O-CG 3.49Å; I650-L654 PolarHBondContact O-N 2.92Å; I651-L654 PolarHBondContact O-N 3.45Å; A652-L654 PolarHBondContact O-N 3.16Å; L654-C656 PolarHBondContact O-N 2.94Å; L654-L657 HydrophobicContact CD2-CD1 4.45Å; L654-L657 WeakPolarHBondContact O-CB 3.4Å; L654-L657 WeakPolarHBondContact O-CG 3.42Å; L654-L657 PolarHBondContact O-N 3.17Å; L654-L657 VanDerWaalsContact O-N 3.11Å; L654-W662 HydrophobicContact CB-CZ3 4.36Å
655S96Very high95.6Very high0 Ų036.7 Ų36.70%017%0.171CC..Hα-helixtrans-70-17.4177.7-61.20000112.9I651 A652 H653 L657 R670 V674I651-S655 VanDerWaalsContact O-CB 3.24Å; I651-S655 WeakPolarHBondContact O-CB 3.48Å; I651-S655 PolarHBondContact O-N 3.24Å; I651-S655 PolarHBondContact O-OG 3.35Å; A652-S655 PolarHBondContact O-N 2.82Å; H653-S655 VanDerWaalsContact C-N 3.31Å; H653-S655 PolarHBondContact O-N 3.11Å; S655-L657 PolarHBondContact O-N 3.38Å; S655-R670 WeakPolarHBondContact O-CD 3.4Å; S655-R670 PolarHBondContact O-NH1 3.09Å; S655-V674 WeakPolarHBondContact OG-CG2 3.34Å
656C95.3Very high95.4Very high2 Ų236.7 Ų36.71%0.01417%0.171CC..THydrogen-bonded Turntrans-75.9-6.1171.1-68.60000113.7H653 L654 H706 E708H653-C656 WeakPolarHBondContact O-CB 3.46Å; H653-C656 PolarHBondContact O-N 3.2Å; L654-C656 PolarHBondContact O-N 2.94Å; C656-H706 PolarHBondContact O-CE1 2.93Å; C656-E708 HydrophobicContact CB-CB 4.45Å; C656-E708 VanDerWaalsContact O-CB 3.27Å; C656-E708 WeakPolarHBondContact O-CB 3.03Å; C656-E708 WeakPolarHBondContact O-CG 3.38Å
657L94.7Very high95Very high17 Ų1745.3 Ų45.39%0.08921%0.212CC..SBendtrans-69.6148.9171.3-70171.3000111R620 L624 L654 S655 I661 R670R620-L657 HydrophobicContact CB-CD1 3.94Å; R620-L657 HydrophobicContact CB-CD2 3.93Å; R620-L657 HydrophobicContact CB-CG 4.12Å; L624-L657 HydrophobicContact CD1-CD1 3.5Å; L624-L657 HydrophobicContact CD2-CD1 4.38Å; L624-L657 HydrophobicContact CG-CD1 3.95Å; L654-L657 HydrophobicContact CD2-CD1 4.45Å; L654-L657 WeakPolarHBondContact O-CB 3.4Å; L654-L657 WeakPolarHBondContact O-CG 3.42Å; L654-L657 PolarHBondContact O-N 3.17Å; L654-L657 VanDerWaalsContact O-N 3.11Å; S655-L657 PolarHBondContact O-N 3.38Å; L657-I661 HydrophobicContact CD1-CG2 4.24Å; L657-I661 HydrophobicContact CD2-CD1 4.39Å; L657-I661 HydrophobicContact CD2-CG2 4.49Å; L657-R670 PolarHBondContact O-NH1 3.2Å; L657-R670 VanDerWaalsContact O-NH1 3.08Å
658K92.2Very high94.5Very high132 Ų13247.2 Ų47.257%0.57423%0.225SC*.  trans-61.1146.4174-63.3-176178.9-177.70111.1E660 I661 W662K658-E660 PolarHBondContact O-N 2.68Å; K658-E660 VanDerWaalsContact O-N 3.17Å; K658-I661 HydrophobicContact CB-CD1 4.49Å; K658-I661 PolarHBondContact O-N 3.41Å; K658-W662 PolarHBondContact O-N 3.45Å; K658-W662 VanDerWaalsContact O-N 3.12Å
659D89.8Confident94Very high79 Ų7950 Ų5042%0.42224%0.244SC..Hα-helixtrans-54.9-37.3-179.2-79-38.3000113.1I661 W662 L663 R670D659-I661 VanDerWaalsContact C-N 3.28Å; D659-I661 PolarHBondContact O-N 3.01Å; D659-W662 PolarHBondContact O-N 3.44Å; D659-L663 HydrophobicContact CB-CD1 4.45Å; D659-L663 WeakPolarHBondContact O-CB 3.43Å; D659-L663 VanDerWaalsContact O-CG 3.28Å; D659-L663 WeakPolarHBondContact O-CG 3.5Å; D659-L663 PolarHBondContact O-N 3.26Å; D659-R670 IonicContact OD1-CZ 3.94Å; D659-R670 IonicContact OD1-NE 3.82Å; D659-R670 PolarHBondContact OD1-NE 3.09Å; D659-R670 IonicContact OD1-NH2 2.94Å; D659-R670 PolarHBondContact OD1-NH2 3.25Å; D659-R670 IonicContact OD2-CZ 3.84Å; D659-R670 IonicContact OD2-NH2 3.79Å; D659-R670 PolarHBondContact OD2-NH2 3.12Å
660E92.2Very high93.8Very high162 Ų16251 Ų5176%0.75725%0.248SC*.Hα-helixtrans-58.3-39.7176.8-63.4177.3-174.400112.6K658 R664K658-E660 PolarHBondContact O-N 2.68Å; K658-E660 VanDerWaalsContact O-N 3.17Å; E660-R664 VanDerWaalsContact O-CB 3.3Å; E660-R664 WeakPolarHBondContact O-CB 3.29Å; E660-R664 PolarHBondContact O-N 2.92Å
661I93.4Very high93.5Very high42 Ų4254.7 Ų54.722%0.21527%0.265CS..Hα-helixtrans-75-40.8179.4-59.8172.4000110E621 L624 L657 K658 D659 N665E621-I661 HydrophobicContact CB-CG2 4.4Å; E621-I661 HydrophobicContact CG-CG2 4.08Å; L624-I661 HydrophobicContact CD1-CG2 4.06Å; L657-I661 HydrophobicContact CD1-CG2 4.24Å; L657-I661 HydrophobicContact CD2-CD1 4.39Å; L657-I661 HydrophobicContact CD2-CG2 4.49Å; K658-I661 HydrophobicContact CB-CD1 4.49Å; K658-I661 PolarHBondContact O-N 3.41Å; D659-I661 VanDerWaalsContact C-N 3.28Å; D659-I661 PolarHBondContact O-N 3.01Å; I661-N665 PolarHBondContact O-ND2 3.42Å
662W94Very high93.2Very high0 Ų057.6 Ų57.60%029%0.285CS..Hα-helixtrans-61.3-55.9177.5-176.9-77.9000111.3L624 M629 L654 K658 D659 R664 N665 I666 S668 R670 Y673L624-W662 HydrophobicContact CD2-CE3 3.98Å; L624-W662 HydrophobicContact CD2-CZ3 4.06Å; M629-W662 HydrophobicContact CE-CH2 3.44Å; M629-W662 VanDerWaalsContact CE-CH2 3.44Å; M629-W662 HydrophobicContact CE-CZ2 4.19Å; M629-W662 HydrophobicContact CE-CZ3 3.97Å; L654-W662 HydrophobicContact CB-CZ3 4.36Å; K658-W662 PolarHBondContact O-N 3.45Å; K658-W662 VanDerWaalsContact O-N 3.12Å; D659-W662 PolarHBondContact O-N 3.44Å; W662-R664 PolarHBondContact O-N 2.87Å; W662-N665 PolarHBondContact O-N 2.81Å; W662-I666 HydrophobicContact CZ2-CG2 4.15Å; W662-I666 PolarHBondContact O-N 3.24Å; W662-S668 PolarHBondContact NE1-O 3.08Å; W662-R670 HydrophobicContact CD2-CB 3.84Å; W662-R670 HydrophobicContact CD2-CG 4.14Å; W662-R670 HydrophobicContact CE3-CB 4.36Å; W662-R670 HydrophobicContact CE3-CG 4.16Å; W662-R670 HydrophobicContact CG-CB 4.11Å; W662-R670 HydrophobicContact CZ2-CB 4.12Å; W662-R670 HydrophobicContact CZ3-CG 4.34Å; W662-Y673 HydrophobicContact CH2-CD1 4.42Å; W662-Y673 HydrophobicContact CH2-CD2 4.04Å; W662-Y673 HydrophobicContact CH2-CG 4Å; W662-Y673 AromaticContact CZ2-CD2 3.65Å; W662-Y673 HydrophobicContact CZ2-CD2 3.65Å; W662-Y673 AromaticContact CZ2-CE2 3.92Å; W662-Y673 HydrophobicContact CZ2-CE2 3.92Å; W662-Y673 HydrophobicContact CZ2-CG 4.11Å
663L92.4Very high93.1Very high116 Ų11657.8 Ų57.861%0.60729%0.286SS*.Hα-helixtrans-66.2-25.1-175.7-67171.6000112.9D659 N665D659-L663 HydrophobicContact CB-CD1 4.45Å; D659-L663 WeakPolarHBondContact O-CB 3.43Å; D659-L663 VanDerWaalsContact O-CG 3.28Å; D659-L663 WeakPolarHBondContact O-CG 3.5Å; D659-L663 PolarHBondContact O-N 3.26Å; L663-N665 VanDerWaalsContact C-N 3.27Å; L663-N665 PolarHBondContact O-N 2.97Å
664R92.8Very high93Very high160 Ų16057.7 Ų57.760%0.60429%0.286SS*.Hα-helixtrans-65.2-31.8172.6-179.4170.370.5-1590.5112.6E621 E660 W662E621-R664 IonicContact OE1-CZ 3.91Å; E621-R664 IonicContact OE1-NE 2.87Å; E621-R664 IonicContact OE1-NH2 2.74Å; E621-R664 PolarHBondContact OE1-NH2 3.09Å; E621-R664 IonicContact OE2-NH2 3.04Å; E621-R664 PolarHBondContact OE2-NH2 3.35Å; E660-R664 VanDerWaalsContact O-CB 3.3Å; E660-R664 WeakPolarHBondContact O-CB 3.29Å; E660-R664 PolarHBondContact O-N 2.92Å; W662-R664 PolarHBondContact O-N 2.87Å
665N92.6Very high92.8Very high52 Ų5261.4 Ų61.428%0.27830%0.302SS..Hα-helixtrans-111.1-30-168.6-70.6-70.6000113.7L624 I661 W662 L663L624-N665 HydrophobicContact CB-CB 3.7Å; L624-N665 HydrophobicContact CD1-CB 4.13Å; I661-N665 PolarHBondContact O-ND2 3.42Å; W662-N665 PolarHBondContact O-N 2.81Å; L663-N665 VanDerWaalsContact C-N 3.27Å; L663-N665 PolarHBondContact O-N 2.97Å
666I93.9Very high92.8Very high2 Ų261.8 Ų61.81%0.0130%0.304CS..  trans-127.6128.4-171.7-58.7-59.8000110.4L624 E626 M629 W662 S668L624-I666 HydrophobicContact CB-CD1 4.46Å; L624-I666 HydrophobicContact CB-CG1 4.18Å; L624-I666 HydrophobicContact CD2-CG1 4.04Å; E626-I666 HydrophobicContact CG-CD1 4.34Å; E626-I666 WeakPolarHBondContact OE1-CA 3.26Å; M629-I666 HydrophobicContact CB-CD1 3.95Å; M629-I666 HydrophobicContact CG-CD1 3.43Å; M629-I666 VanDerWaalsContact CG-CD1 3.43Å; M629-I666 HydrophobicContact CG-CG1 3.99Å; W662-I666 HydrophobicContact CZ2-CG2 4.15Å; W662-I666 PolarHBondContact O-N 3.24Å; I666-S668 WeakPolarHBondContact CG2-OG 3.27Å
667Q89.7Confident92.9Very high185 Ų18561.7 Ų61.786%0.86430%0.303SS*.SBendtrans-75.8-36.2-178.7-63.9-177.6-500112.6E626E626-Q667 PolarHBondContact OE1-N 3.39Å
668S88.2Confident93Very high39 Ų3960.9 Ų60.927%0.27330%0.299SS..SBendtrans-72.8147.4-179.648.50000112.7W662 I666 Y673W662-S668 PolarHBondContact NE1-O 3.08Å; I666-S668 WeakPolarHBondContact CG2-OG 3.27Å; S668-Y673 WeakPolarHBondContact OG-CE2 3.43Å; S668-Y673 PolarHBondContact OG-OH 3.28Å; S668-Y673 VanDerWaalsContact OG-OH 3.08Å
669S88.7Confident93.2Very high58 Ų5858 Ų5841%0.40629%0.288SS..  trans-68.7134-176.768.80000112.6E671 S672 Y673S669-E671 PolarHBondContact O-N 3.22Å; S669-S672 WeakPolarHBondContact O-CB 3.09Å; S669-S672 PolarHBondContact O-N 3.46Å; S669-S672 PolarHBondContact OG-N 3.01Å; S669-S672 PolarHBondContact OG-OG 3.41Å; S669-Y673 WeakPolarHBondContact O-CD2 3.48Å
670R92.8Very high93.5Very high23 Ų2354.7 Ų54.79%0.08727%0.271CS..Hα-helixtrans-49.9-41.4171.7-178.5167.964.5144.30.4111.8S655 L657 D659 W662 S672 Y673 V674 E708S655-R670 WeakPolarHBondContact O-CD 3.4Å; S655-R670 PolarHBondContact O-NH1 3.09Å; L657-R670 PolarHBondContact O-NH1 3.2Å; L657-R670 VanDerWaalsContact O-NH1 3.08Å; D659-R670 IonicContact OD1-CZ 3.94Å; D659-R670 IonicContact OD1-NE 3.82Å; D659-R670 PolarHBondContact OD1-NE 3.09Å; D659-R670 IonicContact OD1-NH2 2.94Å; D659-R670 PolarHBondContact OD1-NH2 3.25Å; D659-R670 IonicContact OD2-CZ 3.84Å; D659-R670 IonicContact OD2-NH2 3.79Å; D659-R670 PolarHBondContact OD2-NH2 3.12Å; W662-R670 HydrophobicContact CD2-CB 3.84Å; W662-R670 HydrophobicContact CD2-CG 4.14Å; W662-R670 HydrophobicContact CE3-CB 4.36Å; W662-R670 HydrophobicContact CE3-CG 4.16Å; W662-R670 HydrophobicContact CG-CB 4.11Å; W662-R670 HydrophobicContact CZ2-CB 4.12Å; W662-R670 HydrophobicContact CZ3-CG 4.34Å; R670-S672 VanDerWaalsContact C-N 3.26Å; R670-S672 PolarHBondContact O-N 3.29Å; R670-Y673 PolarHBondContact O-N 3.03Å; R670-Y673 VanDerWaalsContact O-N 3.08Å; R670-V674 HydrophobicContact CG-CG2 4.26Å; R670-V674 WeakPolarHBondContact O-CG2 3.43Å; R670-V674 PolarHBondContact O-N 3.33Å; R670-V674 VanDerWaalsContact O-N 3.07Å; R670-E708 IonicContact NH1-OE2 2.74Å; R670-E708 PolarHBondContact NH1-OE2 3.27Å; R670-E708 IonicContact NH2-OE2 3.75Å
671E91.8Very high93.8Very high77 Ų7747 Ų4736%0.3624%0.235SC..Hα-helixtrans-53.5-40.4177.5-165.462-153.900113.3S669 Y673 V674 K675 R710S669-E671 PolarHBondContact O-N 3.22Å; E671-Y673 VanDerWaalsContact C-N 3.3Å; E671-Y673 PolarHBondContact O-N 3.19Å; E671-V674 PolarHBondContact O-N 3.47Å; E671-K675 VanDerWaalsContact O-CB 3.28Å; E671-K675 WeakPolarHBondContact O-CB 3.37Å; E671-K675 PolarHBondContact O-N 3.13Å; E671-R710 VanDerWaalsContact CD-NH2 3.25Å; E671-R710 IonicContact OE1-CZ 3.44Å; E671-R710 IonicContact OE1-NH2 3.03Å; E671-R710 PolarHBondContact OE1-NH2 3.14Å; E671-R710 IonicContact OE2-CZ 3.04Å; E671-R710 IonicContact OE2-NH1 3.64Å; E671-R710 PolarHBondContact OE2-NH1 3.4Å; E671-R710 IonicContact OE2-NH2 3.34Å; E671-R710 PolarHBondContact OE2-NH2 3.03Å
672S93.3Very high93.9Very high60 Ų6047 Ų4742%0.4224%0.239SC..Hα-helixtrans-65.2-35.7-179.2-60.60000112.1S669 R670 L676S669-S672 WeakPolarHBondContact O-CB 3.09Å; S669-S672 PolarHBondContact O-N 3.46Å; S669-S672 PolarHBondContact OG-N 3.01Å; S669-S672 PolarHBondContact OG-OG 3.41Å; R670-S672 VanDerWaalsContact C-N 3.26Å; R670-S672 PolarHBondContact O-N 3.29Å; S672-L676 WeakPolarHBondContact O-CB 3.49Å; S672-L676 PolarHBondContact O-N 3.36Å; S672-L676 VanDerWaalsContact O-N 3.15Å
673Y95.8Very high93.9Very high5 Ų552.9 Ų52.92%0.0227%0.27CS..Hα-helixtrans-73.1-46.1177.8-72.6-104.2000111.1M629 F633 I651 W662 S668 S669 R670 E671 K675 L676 L677M629-Y673 HydrophobicContact CB-CE1 4.28Å; M629-Y673 HydrophobicContact CE-CD1 3.96Å; M629-Y673 HydrophobicContact CE-CE1 3.73Å; F633-Y673 HydrophobicContact CB-CD1 4.26Å; F633-Y673 HydrophobicContact CB-CE1 3.68Å; F633-Y673 AromaticContact CD2-CD1 3.57Å; F633-Y673 HydrophobicContact CD2-CD1 3.57Å; F633-Y673 HydrophobicContact CD2-CD2 4.31Å; F633-Y673 AromaticContact CD2-CE1 3.58Å; F633-Y673 HydrophobicContact CD2-CE1 3.58Å; F633-Y673 HydrophobicContact CD2-CE2 4.28Å; F633-Y673 AromaticContact CD2-CG 3.96Å; F633-Y673 HydrophobicContact CD2-CG 3.96Å; F633-Y673 AromaticContact CD2-CZ 3.95Å; F633-Y673 HydrophobicContact CE2-CD1 4.43Å; F633-Y673 HydrophobicContact CE2-CG 4.4Å; F633-Y673 HydrophobicContact CG-CD1 4.39Å; F633-Y673 HydrophobicContact CG-CE1 4.04Å; I651-Y673 HydrophobicContact CD1-CD1 3.61Å; I651-Y673 HydrophobicContact CD1-CE1 4.17Å; I651-Y673 HydrophobicContact CG1-CD1 4.33Å; W662-Y673 HydrophobicContact CH2-CD1 4.42Å; W662-Y673 HydrophobicContact CH2-CD2 4.04Å; W662-Y673 HydrophobicContact CH2-CG 4Å; W662-Y673 AromaticContact CZ2-CD2 3.65Å; W662-Y673 HydrophobicContact CZ2-CD2 3.65Å; W662-Y673 AromaticContact CZ2-CE2 3.92Å; W662-Y673 HydrophobicContact CZ2-CE2 3.92Å; W662-Y673 HydrophobicContact CZ2-CG 4.11Å; S668-Y673 WeakPolarHBondContact OG-CE2 3.43Å; S668-Y673 PolarHBondContact OG-OH 3.28Å; S668-Y673 VanDerWaalsContact OG-OH 3.08Å; S669-Y673 WeakPolarHBondContact O-CD2 3.48Å; R670-Y673 PolarHBondContact O-N 3.03Å; R670-Y673 VanDerWaalsContact O-N 3.08Å; E671-Y673 VanDerWaalsContact C-N 3.3Å; E671-Y673 PolarHBondContact O-N 3.19Å; Y673-K675 PolarHBondContact O-N 2.98Å; Y673-L676 PolarHBondContact O-N 3Å; Y673-L677 WeakPolarHBondContact O-CB 3.26Å; Y673-L677 PolarHBondContact O-N 3.31Å
674V95Very high94.1Very high0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-60.8-45.6178.7174.80000110.6S655 R670 E671 L676 L677 G678 R710 E712S655-V674 WeakPolarHBondContact OG-CG2 3.34Å; R670-V674 HydrophobicContact CG-CG2 4.26Å; R670-V674 WeakPolarHBondContact O-CG2 3.43Å; R670-V674 PolarHBondContact O-N 3.33Å; R670-V674 VanDerWaalsContact O-N 3.07Å; E671-V674 PolarHBondContact O-N 3.47Å; V674-L676 PolarHBondContact O-N 3.45Å; V674-L677 WeakPolarHBondContact O-CB 3.3Å; V674-L677 PolarHBondContact O-N 3.39Å; V674-G678 PolarHBondContact O-N 2.95Å; V674-R710 HydrophobicContact CG1-CB 4.38Å; V674-E712 HydrophobicContact CG1-CB 3.92Å; V674-E712 HydrophobicContact CG1-CG 4.05Å; V674-E712 VanDerWaalsContact CG1-OE2 3.26Å; V674-E712 WeakPolarHBondContact CG1-OE2 3.22Å; V674-E712 WeakPolarHBondContact O-CB 3.47Å; V674-E712 WeakPolarHBondContact O-CG 3.34Å
675K94.7Very high94Very high79 Ų7948.5 Ų48.534%0.34325%0.252SS..Hα-helixtrans-62.7-44176.7-175.1163.9-175.9146.60112.4E671 Y673 L677 G678 Q679 D878E671-K675 VanDerWaalsContact O-CB 3.28Å; E671-K675 WeakPolarHBondContact O-CB 3.37Å; E671-K675 PolarHBondContact O-N 3.13Å; Y673-K675 PolarHBondContact O-N 2.98Å; K675-L677 VanDerWaalsContact C-N 3.32Å; K675-L677 PolarHBondContact O-N 3Å; K675-G678 PolarHBondContact O-N 3.39Å; K675-Q679 WeakPolarHBondContact O-CG 3.42Å; K675-Q679 PolarHBondContact O-N 3.39Å; K675-D878 IonicContact NZ-OD2 2.66Å; K675-D878 PolarHBondContact NZ-OD2 2.76Å
676L96Very high93.6Very high8 Ų848.7 Ų48.74%0.04226%0.256CS..Hα-helixtrans-66.6-35.2177.5-178.857.1000112.1F633 L636 R637 S672 Y673 V674 Q679 A680F633-L676 HydrophobicContact CD1-CD2 4.08Å; F633-L676 HydrophobicContact CD2-CD2 3.77Å; F633-L676 HydrophobicContact CE1-CD2 3.77Å; F633-L676 HydrophobicContact CE2-CB 4.12Å; F633-L676 HydrophobicContact CE2-CD2 3.45Å; F633-L676 VanDerWaalsContact CE2-CD2 3.45Å; F633-L676 HydrophobicContact CE2-CG 4.42Å; F633-L676 HydrophobicContact CG-CD2 4.1Å; F633-L676 HydrophobicContact CZ-CD2 3.45Å; F633-L676 VanDerWaalsContact CZ-CD2 3.45Å; L636-L676 HydrophobicContact CB-CD2 4.14Å; L636-L676 HydrophobicContact CB-CG 4.15Å; L636-L676 HydrophobicContact CD1-CB 4.14Å; L636-L676 HydrophobicContact CD1-CD2 3.89Å; L636-L676 HydrophobicContact CD1-CG 3.8Å; R637-L676 HydrophobicContact CG-CD1 4.12Å; R637-L676 HydrophobicContact CG-CD2 4.46Å; S672-L676 WeakPolarHBondContact O-CB 3.49Å; S672-L676 PolarHBondContact O-N 3.36Å; S672-L676 VanDerWaalsContact O-N 3.15Å; Y673-L676 PolarHBondContact O-N 3Å; V674-L676 PolarHBondContact O-N 3.45Å; L676-Q679 PolarHBondContact O-N 2.9Å; L676-A680 WeakPolarHBondContact O-CB 3.44Å; L676-A680 PolarHBondContact O-N 3.32Å
677L97.6Very high93.4Very high0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-59-50.6173.2177.6157.8000110.3A648 I651 A652 Y673 V674 K675 Q679 A680 V681 E712 W716A648-L677 HydrophobicContact CB-CD1 4.3Å; A648-L677 HydrophobicContact CB-CG 4.21Å; A648-L677 WeakPolarHBondContact O-CD1 3.25Å; I651-L677 HydrophobicContact CB-CD1 4.07Å; I651-L677 HydrophobicContact CG2-CB 4.39Å; I651-L677 HydrophobicContact CG2-CD1 3.83Å; A652-L677 HydrophobicContact CB-CD1 3.94Å; Y673-L677 WeakPolarHBondContact O-CB 3.26Å; Y673-L677 PolarHBondContact O-N 3.31Å; V674-L677 WeakPolarHBondContact O-CB 3.3Å; V674-L677 PolarHBondContact O-N 3.39Å; K675-L677 VanDerWaalsContact C-N 3.32Å; K675-L677 PolarHBondContact O-N 3Å; L677-Q679 VanDerWaalsContact C-N 3.33Å; L677-Q679 PolarHBondContact O-N 3.38Å; L677-A680 PolarHBondContact O-N 2.9Å; L677-A680 VanDerWaalsContact O-N 3.15Å; L677-V681 HydrophobicContact CD2-CG2 4.29Å; L677-V681 WeakPolarHBondContact O-CG2 3.4Å; L677-V681 PolarHBondContact O-N 2.81Å; L677-E712 VanDerWaalsContact CD2-C 3.5Å; L677-E712 HydrophobicContact CD2-CB 3.84Å; L677-E712 WeakPolarHBondContact CD2-O 3.38Å; L677-W716 HydrophobicContact CD2-CB 4.16Å
678G96.5Very high93.2Very high0 Ų049.6 Ų49.60%026%0.262CS..Hα-helixtrans-57.8-44.917700000112.5V674 K675 A680 V681 C682V674-G678 PolarHBondContact O-N 2.95Å; K675-G678 PolarHBondContact O-N 3.39Å; G678-A680 PolarHBondContact O-N 2.82Å; G678-V681 PolarHBondContact O-N 3.34Å; G678-C682 WeakPolarHBondContact O-CB 3.18Å; G678-C682 PolarHBondContact O-N 3.1Å; G678-C682 PolarHBondContact O-SG 3.31Å; G678-C682 VanDerWaalsContact O-SG 3.34Å
679Q96.1Very high93.2Very high71 Ų7151.3 Ų51.333%0.33228%0.275SS..Hα-helixtrans-60.8-41.6175.4-70.9174-5.500112.9K675 L676 L677 N683K675-Q679 WeakPolarHBondContact O-CG 3.42Å; K675-Q679 PolarHBondContact O-N 3.39Å; L676-Q679 PolarHBondContact O-N 2.9Å; L677-Q679 VanDerWaalsContact C-N 3.33Å; L677-Q679 PolarHBondContact O-N 3.38Å; Q679-N683 WeakPolarHBondContact O-CB 3.5Å; Q679-N683 PolarHBondContact O-N 3.04Å; Q679-N683 PolarHBondContact O-ND2 2.79Å
680A96.9Very high93.1Very high9 Ų951.7 Ų51.77%0.07427%0.27CS..Hα-helixtrans-62.7-49.8178.700000110.9L636 L676 L677 G678 C682 N683 W684L636-A680 HydrophobicContact CB-CB 4.43Å; L636-A680 WeakPolarHBondContact O-CB 3.45Å; L676-A680 WeakPolarHBondContact O-CB 3.44Å; L676-A680 PolarHBondContact O-N 3.32Å; L677-A680 PolarHBondContact O-N 2.9Å; L677-A680 VanDerWaalsContact O-N 3.15Å; G678-A680 PolarHBondContact O-N 2.82Å; A680-C682 PolarHBondContact O-N 3.25Å; A680-N683 PolarHBondContact O-N 3.34Å; A680-N683 VanDerWaalsContact O-N 3.12Å; A680-W684 HydrophobicContact CB-CZ2 4.5Å; A680-W684 PolarHBondContact O-N 2.98Å; A680-W684 PolarHBondContact O-NE1 3.39Å
681V97.2Very high92.9Very high1 Ų151.7 Ų51.71%0.00627%0.271CS..Hα-helixtrans-64-41.7-178.8-174.80000111.6L677 G678 N683 W684 L715 W716 W719L677-V681 HydrophobicContact CD2-CG2 4.29Å; L677-V681 WeakPolarHBondContact O-CG2 3.4Å; L677-V681 PolarHBondContact O-N 2.81Å; G678-V681 PolarHBondContact O-N 3.34Å; V681-N683 PolarHBondContact O-N 3.33Å; V681-W684 HydrophobicContact CB-CE3 4.15Å; V681-W684 HydrophobicContact CB-CZ3 4.13Å; V681-W684 HydrophobicContact CG1-CE3 3.87Å; V681-W684 HydrophobicContact CG1-CZ3 3.94Å; V681-W684 HydrophobicContact CG2-CE3 4.17Å; V681-W684 HydrophobicContact CG2-CH2 3.71Å; V681-W684 HydrophobicContact CG2-CZ2 4.3Å; V681-W684 HydrophobicContact CG2-CZ3 3.66Å; V681-W684 PolarHBondContact O-N 3.38Å; V681-L715 HydrophobicContact CB-CD2 3.81Å; V681-L715 HydrophobicContact CB-CG 4.02Å; V681-L715 HydrophobicContact CG1-CD1 4.23Å; V681-L715 HydrophobicContact CG1-CD2 3.92Å; V681-L715 HydrophobicContact CG1-CG 3.64Å; V681-W716 HydrophobicContact CG2-CB 4.1Å; V681-W719 HydrophobicContact CG1-CB 3.79Å; V681-W719 HydrophobicContact CG1-CG 3.77Å
682C95.5Very high92.8Very high43 Ų4348.9 Ų48.929%0.29126%0.259SS..Hα-helixtrans-61.1-28.1175.8-75.80000113.5G678 A680 L715G678-C682 WeakPolarHBondContact O-CB 3.18Å; G678-C682 PolarHBondContact O-N 3.1Å; G678-C682 PolarHBondContact O-SG 3.31Å; G678-C682 VanDerWaalsContact O-SG 3.34Å; A680-C682 PolarHBondContact O-N 3.25Å; C682-L715 VanDerWaalsContact SG-CD2 3.58Å
683N94.6Very high92.7Very high123 Ų12348.4 Ų48.466%0.65826%0.259SS*.Hα-helixtrans-89.8-8.4-179.2-71.7-30.3000113.5Q679 A680 V681Q679-N683 WeakPolarHBondContact O-CB 3.5Å; Q679-N683 PolarHBondContact O-N 3.04Å; Q679-N683 PolarHBondContact O-ND2 2.79Å; A680-N683 PolarHBondContact O-N 3.34Å; A680-N683 VanDerWaalsContact O-N 3.12Å; V681-N683 PolarHBondContact O-N 3.33Å
684W95.7Very high92.6Very high27 Ų2749.5 Ų49.510%0.10226%0.263CS..PPolyproline II helixtrans-70.6135.7-179-71.9-15.8000112.2I641 S644 Y645 A648 A680 V681 W716 W719I641-W684 HydrophobicContact CD1-CB 3.68Å; I641-W684 HydrophobicContact CD1-CD2 4.14Å; I641-W684 HydrophobicContact CD1-CG 3.69Å; I641-W684 HydrophobicContact CG1-CD2 4.16Å; I641-W684 HydrophobicContact CG1-CG 4.03Å; S644-W684 VanDerWaalsContact OG-CZ2 3.28Å; S644-W684 WeakPolarHBondContact OG-CZ2 3.47Å; S644-W684 PolarHBondContact OG-NE1 3.14Å; Y645-W684 HydrophobicContact CD2-CH2 4.27Å; Y645-W684 HydrophobicContact CD2-CZ3 4.1Å; A648-W684 HydrophobicContact CB-CH2 3.71Å; A648-W684 HydrophobicContact CB-CZ2 4.07Å; A680-W684 HydrophobicContact CB-CZ2 4.5Å; A680-W684 PolarHBondContact O-N 2.98Å; A680-W684 PolarHBondContact O-NE1 3.39Å; V681-W684 HydrophobicContact CB-CE3 4.15Å; V681-W684 HydrophobicContact CB-CZ3 4.13Å; V681-W684 HydrophobicContact CG1-CE3 3.87Å; V681-W684 HydrophobicContact CG1-CZ3 3.94Å; V681-W684 HydrophobicContact CG2-CE3 4.17Å; V681-W684 HydrophobicContact CG2-CH2 3.71Å; V681-W684 HydrophobicContact CG2-CZ2 4.3Å; V681-W684 HydrophobicContact CG2-CZ3 3.66Å; V681-W684 PolarHBondContact O-N 3.38Å; W684-W716 AromaticContact CH2-CD1 3.88Å; W684-W719 HydrophobicContact CB-CZ2 4.15Å; W684-W719 AromaticContact CE3-CD2 3.73Å; W684-W719 HydrophobicContact CE3-CD2 3.73Å; W684-W719 AromaticContact CE3-CE2 3.69Å; W684-W719 AromaticContact CE3-CE3 3.89Å; W684-W719 HydrophobicContact CE3-CE3 3.89Å; W684-W719 HydrophobicContact CE3-CG 4.33Å; W684-W719 HydrophobicContact CE3-CH2 4.06Å; W684-W719 AromaticContact CE3-CZ2 3.86Å; W684-W719 HydrophobicContact CE3-CZ2 3.86Å; W684-W719 HydrophobicContact CE3-CZ3 4.06Å; W684-W719 HydrophobicContact CZ3-CD2 4.05Å; W684-W719 AromaticContact CZ3-CE3 3.86Å; W684-W719 HydrophobicContact CZ3-CE3 3.86Å; W684-W719 HydrophobicContact CZ3-CZ3 4.17Å
685Q90.6Very high92.5Very high156 Ų15652.9 Ų52.973%0.72928%0.276SS*.PPolyproline II helixtrans-96.6121.2164.5-62.3-58.7-3900108.1I641I641-Q685 WeakPolarHBondContact CD1-O 3.36Å
686P86.1Confident92.5Very high57 Ų5750.4 Ų50.437%0.3727%0.268SS..PPolyproline II helixtrans-57.3125.6-179.9-2433000111W719P686-W719 HydrophobicContact CB-CZ2 4.49Å
687P88.7Confident92.5Very high25 Ų2550.1 Ų50.116%0.16227%0.267CS..PPolyproline II helixtrans-73.1153-178.128.6-30000110.7I641 S689 M691 R727I641-P687 HydrophobicContact CG2-CB 4.47Å; I641-P687 HydrophobicContact CG2-CG 4.23Å; P687-S689 VanDerWaalsContact C-N 3.32Å; P687-S689 PolarHBondContact O-N 2.94Å; P687-M691 HydrophobicContact CG-CG 3.51Å; P687-M691 HydrophobicContact CG-SD 3.37Å; P687-M691 WeakPolarHBondContact CG-SD 3.4Å; P687-R727 VanDerWaalsContact O-CZ 3.24Å; P687-R727 PolarHBondContact O-NE 3.42Å; P687-R727 VanDerWaalsContact O-NE 3.17Å; P687-R727 PolarHBondContact O-NH2 3.47Å
688H86Confident92.4Very high180 Ų18055.6 Ų55.683%0.83329%0.292SS*.SBendtrans-64.7-33-178.2-64.493.3000113.4R727H688-R727 PolarHBondContact O-NE 3.4Å
689S87.8Confident92.4Very high76 Ų7656.5 Ų56.553%0.53130%0.299SS..SBendtrans-94.4157.3178.2610000112.1P687 M691P687-S689 VanDerWaalsContact C-N 3.32Å; P687-S689 PolarHBondContact O-N 2.94Å; S689-M691 PolarHBondContact O-N 3.41Å
690E86.8Confident92.4Very high66 Ų6653.6 Ų53.631%0.30829%0.285SS..  trans-58132.3165.9-179.1176.4172.400110.4I724 K728E690-I724 HydrophobicContact CG-CD1 3.73Å; E690-K728 VanDerWaalsContact OE2-CE 3.24Å; E690-K728 WeakPolarHBondContact OE2-CE 3.34Å
691M89.1Confident92.3Very high22 Ų2253.4 Ų53.411%0.10828%0.284CS..  trans-92.2-45.5176.9-7317735.400113I641 Q642 Y645 P687 S689 W719I641-M691 HydrophobicContact CG1-SD 4.25Å; I641-M691 HydrophobicContact CG2-SD 3.96Å; Q642-M691 HydrophobicContact CB-CE 4.37Å; Q642-M691 HydrophobicContact CG-CB 4.33Å; Q642-M691 HydrophobicContact CG-CE 3.98Å; Q642-M691 HydrophobicContact CG-CG 3.99Å; Q642-M691 HydrophobicContact CG-SD 4.34Å; Y645-M691 HydrophobicContact CD1-CE 3.91Å; Y645-M691 HydrophobicContact CD2-CE 4.11Å; Y645-M691 HydrophobicContact CG-CE 3.55Å; P687-M691 HydrophobicContact CG-CG 3.51Å; P687-M691 HydrophobicContact CG-SD 3.37Å; P687-M691 WeakPolarHBondContact CG-SD 3.4Å; S689-M691 PolarHBondContact O-N 3.41Å; M691-W719 HydrophobicContact SD-CH2 4.18Å
692V88.8Confident92.2Very high18 Ų1858.6 Ų58.611%0.10931%0.311CS..  trans-147.1140.2-169.5-172.10000108.2W562 Y645 F646 Y694 I724W562-V692 HydrophobicContact CZ2-CG1 4.44Å; Y645-V692 HydrophobicContact CD1-CG2 4.35Å; Y645-V692 HydrophobicContact CE1-CG2 4.03Å; F646-V692 HydrophobicContact CE1-CG2 3.97Å; F646-V692 HydrophobicContact CE2-CG2 4.17Å; F646-V692 HydrophobicContact CZ-CG1 4.37Å; F646-V692 HydrophobicContact CZ-CG2 3.37Å; V692-Y694 HydrophobicContact CG1-CE1 4.07Å; V692-I724 WeakPolarHBondContact O-CD1 3.27Å
693A91.7Very high92.3Very high50 Ų5056.7 Ų56.741%0.41330%0.298SS..  trans-102.8139.6170.600000109.1Y732A693-Y732 WeakPolarHBondContact CA-OH 3.24Å; A693-Y732 WeakPolarHBondContact CB-OH 3.43Å
694Y93.8Very high92.3Very high29 Ų2950.8 Ų50.811%0.11427%0.266CS..  trans-106.4147.4175.5-50-77.9000110.8Y645 V692 S696 F697 F700 I724 Y732Y645-Y694 PolarHBondContact OH-OH 2.9Å; V692-Y694 HydrophobicContact CG1-CE1 4.07Å; Y694-S696 WeakPolarHBondContact CB-O 3.37Å; Y694-F697 HydrophobicContact CD2-CE1 4.11Å; Y694-F700 AromaticContact CD1-CE2 3.7Å; Y694-F700 HydrophobicContact CD1-CE2 3.7Å; Y694-F700 HydrophobicContact CD1-CZ 4.15Å; Y694-F700 HydrophobicContact CD2-CE2 4.45Å; Y694-F700 AromaticContact CE1-CE2 3.55Å; Y694-F700 HydrophobicContact CE1-CE2 3.55Å; Y694-F700 AromaticContact CE1-CZ 3.51Å; Y694-F700 HydrophobicContact CE1-CZ 3.51Å; Y694-F700 HydrophobicContact CE2-CE2 4.34Å; Y694-F700 HydrophobicContact CG-CE2 4.16Å; Y694-F700 AromaticContact CZ-CE2 3.9Å; Y694-F700 AromaticContact CZ-CZ 3.73Å; Y694-I724 HydrophobicContact CD2-CB 4.3Å; Y694-I724 HydrophobicContact CD2-CG1 4.2Å; Y694-I724 HydrophobicContact CD2-CG2 3.97Å; Y694-I724 HydrophobicContact CE2-CB 3.93Å; Y694-I724 HydrophobicContact CE2-CG1 4.23Å; Y694-I724 HydrophobicContact CE2-CG2 3.8Å; Y694-Y732 HydrophobicContact CD2-CE1 4.43Å; Y694-Y732 PolarHBondContact N-OH 3.15Å; Y694-Y732 VanDerWaalsContact N-OH 3.08Å; Y694-Y732 WeakPolarHBondContact O-CE1 3.37Å; Y694-Y732 PolarHBondContact O-OH 2.99Å; Y694-Y732 VanDerWaalsContact O-OH 3.11Å
695R92.4Very high92.2Very high70 Ų7052.1 Ų52.126%0.26428%0.275SS..SBendtrans-81.2-44170.5-59.3172.9-179.6-96.36.7110.5A491 A492 I494 D566 E567A491-R695 PolarHBondContact O-NH2 3.46Å; A492-R695 PolarHBondContact O-NH1 2.94Å; A492-R695 PolarHBondContact O-NH2 3.35Å; I494-R695 PolarHBondContact O-NH1 3.39Å; D566-R695 WeakPolarHBondContact OD2-CD 3.37Å; D566-R695 WeakPolarHBondContact OD2-CG 3.36Å; D566-R695 IonicContact OD2-CZ 2.64Å; D566-R695 IonicContact OD2-NE 3.54Å; D566-R695 PolarHBondContact OD2-NE 3.4Å; E567-R695 WeakPolarHBondContact OE1-CB 3.26Å
696S94.9Very high92.4Very high27 Ų2746.6 Ų46.619%0.18925%0.249CC..  trans-137.2174172.884.90000111E567 Y694 E698 P699E567-S696 PolarHBondContact OE1-N 3.23Å; E567-S696 PolarHBondContact OE1-OG 2.98Å; E567-S696 VanDerWaalsContact OE1-OG 3.09Å; E567-S696 PolarHBondContact OE2-OG 3.31Å; Y694-S696 WeakPolarHBondContact CB-O 3.37Å; S696-E698 WeakPolarHBondContact OG-CB 3.47Å; S696-E698 PolarHBondContact OG-N 3.07Å; S696-P699 WeakPolarHBondContact OG-CD 3.43Å
697F96.8Very high92.7Very high2 Ų248.4 Ų48.41%0.00926%0.261CS..SBendtrans-99.88.3166.5-68.8-64.4000112.9Y694 F700 G701 I721 I724 L725 Y732 V735 L736 C739 L742Y694-F697 HydrophobicContact CD2-CE1 4.11Å; F697-F700 AromaticContact CD1-CD2 3.79Å; F697-F700 HydrophobicContact CD1-CD2 3.79Å; F697-F700 HydrophobicContact CD1-CE2 4.11Å; F697-F700 PolarHBondContact O-N 3.01Å; F697-F700 VanDerWaalsContact O-N 3.16Å; F697-G701 PolarHBondContact O-N 3.42Å; F697-I721 HydrophobicContact CD1-CG1 4Å; F697-I721 HydrophobicContact CE1-CB 4.47Å; F697-I721 HydrophobicContact CE1-CG1 4.01Å; F697-I721 HydrophobicContact CE1-CG2 4.37Å; F697-I721 HydrophobicContact CZ-CG2 4.48Å; F697-I724 HydrophobicContact CE1-CG2 3.94Å; F697-I724 HydrophobicContact CZ-CG2 3.88Å; F697-L725 HydrophobicContact CE2-CD1 4.17Å; F697-L725 HydrophobicContact CZ-CD1 3.65Å; F697-Y732 AromaticContact CE2-CD1 3.92Å; F697-Y732 HydrophobicContact CE2-CD1 3.92Å; F697-Y732 AromaticContact CZ-CD1 3.66Å; F697-Y732 HydrophobicContact CZ-CD1 3.66Å; F697-Y732 HydrophobicContact CZ-CG 4.19Å; F697-V735 HydrophobicContact CD2-CB 4.27Å; F697-V735 HydrophobicContact CD2-CG1 3.83Å; F697-V735 HydrophobicContact CE2-CB 4.18Å; F697-V735 HydrophobicContact CE2-CG1 4.12Å; F697-L736 HydrophobicContact CD2-CB 3.86Å; F697-L736 HydrophobicContact CD2-CD1 4.12Å; F697-L736 HydrophobicContact CE2-CB 3.78Å; F697-L736 HydrophobicContact CG-CD1 4.5Å; F697-C739 HydrophobicContact CB-CB 4.29Å; F697-L742 HydrophobicContact CB-CD2 3.6Å; F697-L742 HydrophobicContact CG-CD2 4.26Å
698E94.9Very high92.8Very high115 Ų11550.3 Ų50.354%0.53727%0.268SS..Hα-helixtrans-57.9-43.5-179-174.3177.7177.600112.7S696 F700 G701 L702S696-E698 WeakPolarHBondContact OG-CB 3.47Å; S696-E698 PolarHBondContact OG-N 3.07Å; E698-F700 VanDerWaalsContact C-N 3.28Å; E698-F700 PolarHBondContact O-N 3.49Å; E698-G701 PolarHBondContact O-N 3.36Å; E698-G701 VanDerWaalsContact O-N 3.07Å; E698-L702 HydrophobicContact CG-CD1 4.22Å; E698-L702 HydrophobicContact CG-CG 4.33Å; E698-L702 WeakPolarHBondContact O-CG 3.22Å; E698-L702 PolarHBondContact O-N 3.42Å
699P95.6Very high93.1Very high20 Ų2042 Ų4213%0.1323%0.229CC..Hα-helixtrans-57.1-39176-2736000113.4E567 E615 S696 L703E567-P699 HydrophobicContact CG-CG 3.86Å; E615-P699 HydrophobicContact CG-CB 4.31Å; S696-P699 WeakPolarHBondContact OG-CD 3.43Å; P699-L703 WeakPolarHBondContact O-CB 3.34Å; P699-L703 PolarHBondContact O-N 3.37Å
700F97.2Very high93.3Very high9 Ų940 Ų404%0.03921%0.21CC..Hα-helixtrans-68.9-40.9175.7-65.8-72.9000112.1Y694 F697 E698 L703 V704 W716 A717 A720 I721 L742Y694-F700 AromaticContact CD1-CE2 3.7Å; Y694-F700 HydrophobicContact CD1-CE2 3.7Å; Y694-F700 HydrophobicContact CD1-CZ 4.15Å; Y694-F700 HydrophobicContact CD2-CE2 4.45Å; Y694-F700 AromaticContact CE1-CE2 3.55Å; Y694-F700 HydrophobicContact CE1-CE2 3.55Å; Y694-F700 AromaticContact CE1-CZ 3.51Å; Y694-F700 HydrophobicContact CE1-CZ 3.51Å; Y694-F700 HydrophobicContact CE2-CE2 4.34Å; Y694-F700 HydrophobicContact CG-CE2 4.16Å; Y694-F700 AromaticContact CZ-CE2 3.9Å; Y694-F700 AromaticContact CZ-CZ 3.73Å; F697-F700 AromaticContact CD1-CD2 3.79Å; F697-F700 HydrophobicContact CD1-CD2 3.79Å; F697-F700 HydrophobicContact CD1-CE2 4.11Å; F697-F700 PolarHBondContact O-N 3.01Å; F697-F700 VanDerWaalsContact O-N 3.16Å; E698-F700 VanDerWaalsContact C-N 3.28Å; E698-F700 PolarHBondContact O-N 3.49Å; F700-L703 PolarHBondContact O-N 3.17Å; F700-V704 WeakPolarHBondContact O-CG1 3.19Å; F700-V704 WeakPolarHBondContact O-CG2 3.35Å; F700-V704 PolarHBondContact O-N 3.33Å; F700-W716 HydrophobicContact CD1-CH2 4.26Å; F700-W716 AromaticContact CD1-CZ3 3.85Å; F700-W716 HydrophobicContact CD1-CZ3 3.85Å; F700-W716 HydrophobicContact CE1-CE3 4.26Å; F700-W716 AromaticContact CE1-CH2 3.56Å; F700-W716 HydrophobicContact CE1-CH2 3.56Å; F700-W716 HydrophobicContact CE1-CZ2 4.23Å; F700-W716 AromaticContact CE1-CZ3 3.56Å; F700-W716 HydrophobicContact CE1-CZ3 3.56Å; F700-W716 HydrophobicContact CZ-CH2 4.37Å; F700-A717 HydrophobicContact CD1-CB 3.81Å; F700-A720 HydrophobicContact CE1-CB 3.52Å; F700-A720 HydrophobicContact CZ-CB 3.53Å; F700-I721 HydrophobicContact CB-CD1 4.31Å; F700-I721 HydrophobicContact CD2-CG1 4.45Å; F700-I721 HydrophobicContact CG-CD1 4.48Å; F700-I721 HydrophobicContact CG-CG1 4.45Å; F700-L742 HydrophobicContact CB-CD2 4.28Å
701G95.3Very high93.7Very high5 Ų537.4 Ų37.45%0.05220%0.199CC..Hα-helixtrans-58.1-49.5174.700000111.8F697 E698 L703 V704 L705F697-G701 PolarHBondContact O-N 3.42Å; E698-G701 PolarHBondContact O-N 3.36Å; E698-G701 VanDerWaalsContact O-N 3.07Å; G701-L703 VanDerWaalsContact C-N 3.26Å; G701-L703 PolarHBondContact O-N 3.18Å; G701-V704 PolarHBondContact O-N 2.73Å; G701-L705 VanDerWaalsContact O-CB 3.26Å; G701-L705 WeakPolarHBondContact O-CB 3.14Å; G701-L705 VanDerWaalsContact O-CG 3.23Å; G701-L705 WeakPolarHBondContact O-CG 3.45Å; G701-L705 PolarHBondContact O-N 3.34Å; G701-L705 VanDerWaalsContact O-N 3.09Å
702L95Very high94Very high111 Ų11136.6 Ų36.658%0.58120%0.195SC*.Hα-helixtrans-60-37.2176.5-68.2175.4000112.2E698 H706E698-L702 HydrophobicContact CG-CD1 4.22Å; E698-L702 HydrophobicContact CG-CG 4.33Å; E698-L702 WeakPolarHBondContact O-CG 3.22Å; E698-L702 PolarHBondContact O-N 3.42Å; L702-H706 WeakPolarHBondContact O-CB 3.31Å; L702-H706 PolarHBondContact O-N 3.4Å
703L96.4Very high94.4Very high2 Ų235.8 Ų35.81%0.0119%0.189CC..Hα-helixtrans-69.9-53.4179.1-179.464.3000112.3A652 P699 F700 G701 L705 H706 S709 I713 W716A652-L703 HydrophobicContact CB-CD2 4.13Å; P699-L703 WeakPolarHBondContact O-CB 3.34Å; P699-L703 PolarHBondContact O-N 3.37Å; F700-L703 PolarHBondContact O-N 3.17Å; G701-L703 VanDerWaalsContact C-N 3.26Å; G701-L703 PolarHBondContact O-N 3.18Å; L703-L705 PolarHBondContact O-N 3.17Å; L703-H706 VanDerWaalsContact O-CB 3.26Å; L703-H706 WeakPolarHBondContact O-CB 3.37Å; L703-H706 PolarHBondContact O-N 3.36Å; L703-H706 VanDerWaalsContact O-N 3.17Å; L703-S709 VanDerWaalsContact O-CB 3.3Å; L703-S709 WeakPolarHBondContact O-CB 3.39Å; L703-S709 PolarHBondContact O-OG 2.77Å; L703-I713 HydrophobicContact CD1-CG2 3.78Å; L703-I713 HydrophobicContact CD2-CG2 3.81Å; L703-I713 HydrophobicContact CG-CG2 3.62Å; L703-W716 HydrophobicContact CD2-CE3 3.64Å; L703-W716 HydrophobicContact CD2-CZ3 3.36Å
704V95.3Very high94.6Very high0 Ų034.1 Ų34.10%017%0.173CC..Hα-helixtrans-71.6-20.9-175.4-57.50000113.2F700 G701 H714 A717 L742 F745 Q763F700-V704 WeakPolarHBondContact O-CG1 3.19Å; F700-V704 WeakPolarHBondContact O-CG2 3.35Å; F700-V704 PolarHBondContact O-N 3.33Å; G701-V704 PolarHBondContact O-N 2.73Å; V704-H714 PolarHBondContact O-NE2 2.71Å; V704-A717 HydrophobicContact CG1-CB 3.46Å; V704-A717 VanDerWaalsContact CG1-CB 3.46Å; V704-L742 HydrophobicContact CG2-CD1 3.87Å; V704-F745 HydrophobicContact CB-CD1 4.23Å; V704-F745 HydrophobicContact CB-CD2 4.31Å; V704-F745 HydrophobicContact CB-CE1 4.02Å; V704-F745 HydrophobicContact CB-CE2 4.1Å; V704-F745 HydrophobicContact CB-CG 4.37Å; V704-F745 HydrophobicContact CB-CZ 3.96Å; V704-F745 HydrophobicContact CG1-CE1 4.14Å; V704-F745 HydrophobicContact CG1-CZ 4.32Å; V704-F745 HydrophobicContact CG2-CB 4.32Å; V704-F745 HydrophobicContact CG2-CD1 3.8Å; V704-F745 HydrophobicContact CG2-CD2 4.09Å; V704-F745 HydrophobicContact CG2-CE1 4.12Å; V704-F745 HydrophobicContact CG2-CE2 4.38Å; V704-F745 HydrophobicContact CG2-CG 3.8Å; V704-F745 HydrophobicContact CG2-CZ 4.4Å; V704-Q763 PolarHBondContact O-NE2 3.07Å
705L94.1Very high94.8Very high54 Ų5432.7 Ų32.728%0.28317%0.168SC..THydrogen-bonded Turntrans-94.5-3.8175.6-60.5174.2000112.9G701 L703 P741 F745 Q763 L766G701-L705 VanDerWaalsContact O-CB 3.26Å; G701-L705 WeakPolarHBondContact O-CB 3.14Å; G701-L705 VanDerWaalsContact O-CG 3.23Å; G701-L705 WeakPolarHBondContact O-CG 3.45Å; G701-L705 PolarHBondContact O-N 3.34Å; G701-L705 VanDerWaalsContact O-N 3.09Å; L703-L705 PolarHBondContact O-N 3.17Å; L705-P741 HydrophobicContact CD1-CB 3.4Å; L705-P741 VanDerWaalsContact CD1-CB 3.4Å; L705-F745 HydrophobicContact CD2-CB 4.37Å; L705-Q763 VanDerWaalsContact C-NE2 3.31Å; L705-L766 HydrophobicContact CD2-CD1 3.74Å
706H94Very high95.1Very high41 Ų4129.4 Ų29.419%0.1916%0.155CC..SBendtrans-64.8132.2178.3-170.1-82.6000111C656 L702 L703 E708 S709 Q763C656-H706 PolarHBondContact O-CE1 2.93Å; L702-H706 WeakPolarHBondContact O-CB 3.31Å; L702-H706 PolarHBondContact O-N 3.4Å; L703-H706 VanDerWaalsContact O-CB 3.26Å; L703-H706 WeakPolarHBondContact O-CB 3.37Å; L703-H706 PolarHBondContact O-N 3.36Å; L703-H706 VanDerWaalsContact O-N 3.17Å; H706-E708 PolarHBondContact ND1-N 3.01Å; H706-E708 PolarHBondContact O-N 3.27Å; H706-S709 WeakPolarHBondContact O-CB 3.42Å; H706-S709 PolarHBondContact O-N 3.05Å; H706-Q763 VanDerWaalsContact O-CD 3.26Å; H706-Q763 PolarHBondContact O-NE2 3.28Å; H706-Q763 PolarHBondContact O-OE1 3.2Å
707P91.2Very high95.2Very high95 Ų9528.1 Ų28.162%0.61715%0.146SC*.THydrogen-bonded Turntrans-53.7-30.2-174-29.635.6000116.3Q763P707-Q763 PolarHBondContact O-OE1 2.97Å
708E91.8Very high95.2Very high65 Ų6528 Ų2830%0.30415%0.146SC..THydrogen-bonded Turntrans-92.15.3178.6-61.9-70152.800113.4C656 R670 H706C656-E708 HydrophobicContact CB-CB 4.45Å; C656-E708 VanDerWaalsContact O-CB 3.27Å; C656-E708 WeakPolarHBondContact O-CB 3.03Å; C656-E708 WeakPolarHBondContact O-CG 3.38Å; R670-E708 IonicContact NH1-OE2 2.74Å; R670-E708 PolarHBondContact NH1-OE2 3.27Å; R670-E708 IonicContact NH2-OE2 3.75Å; H706-E708 PolarHBondContact ND1-N 3.01Å; H706-E708 PolarHBondContact O-N 3.27Å
709S93.1Very high95.4Very high4 Ų422.9 Ų22.93%0.02812%0.121CC..  trans-70.3146.2-179.7-1750000111.5L703 H706 I713 H714L703-S709 VanDerWaalsContact O-CB 3.3Å; L703-S709 WeakPolarHBondContact O-CB 3.39Å; L703-S709 PolarHBondContact O-OG 2.77Å; H706-S709 WeakPolarHBondContact O-CB 3.42Å; H706-S709 PolarHBondContact O-N 3.05Å; S709-I713 WeakPolarHBondContact OG-CG2 3.2Å; S709-H714 PolarHBondContact OG-CD2 3.08Å; S709-H714 PolarHBondContact OG-NE2 3.15Å
710R92.1Very high95.4Very high34 Ų3421.9 Ų21.913%0.12812%0.115CC..  trans-126.9166.5-170.8-59.8-173.764.9164.4-10.4111.2E671 V674 E712 I713 H714E671-R710 VanDerWaalsContact CD-NH2 3.25Å; E671-R710 IonicContact OE1-CZ 3.44Å; E671-R710 IonicContact OE1-NH2 3.03Å; E671-R710 PolarHBondContact OE1-NH2 3.14Å; E671-R710 IonicContact OE2-CZ 3.04Å; E671-R710 IonicContact OE2-NH1 3.64Å; E671-R710 PolarHBondContact OE2-NH1 3.4Å; E671-R710 IonicContact OE2-NH2 3.34Å; E671-R710 PolarHBondContact OE2-NH2 3.03Å; V674-R710 HydrophobicContact CG1-CB 4.38Å; R710-E712 VanDerWaalsContact C-N 3.31Å; R710-E712 PolarHBondContact O-N 3.2Å; R710-I713 HydrophobicContact CB-CD1 4.23Å; R710-I713 HydrophobicContact CB-CG1 4.49Å; R710-I713 WeakPolarHBondContact O-CB 3.35Å; R710-I713 PolarHBondContact O-N 3.37Å; R710-H714 PolarHBondContact O-CD2 3.34Å; R710-H714 PolarHBondContact O-N 3.26Å
711L94.1Very high95.4Very high13 Ų1321.5 Ų21.57%0.06811%0.113CC..Hα-helixtrans-55.1-44.6-175.4-17569.3000112.8I713 H714 L715 L757 C758 Q881 C884 A885 I888L711-I713 VanDerWaalsContact C-N 3.29Å; L711-I713 PolarHBondContact O-N 3.5Å; L711-H714 WeakPolarHBondContact O-CB 3.18Å; L711-H714 PolarHBondContact O-N 3.02Å; L711-L715 PolarHBondContact O-N 3.21Å; L711-L757 HydrophobicContact CD1-CB 4.09Å; L711-C758 HydrophobicContact CD2-CB 4.39Å; L711-Q881 HydrophobicContact CD2-CB 4.09Å; L711-Q881 VanDerWaalsContact CD2-O 3.29Å; L711-Q881 WeakPolarHBondContact CD2-O 3.21Å; L711-C884 HydrophobicContact CD2-CB 3.98Å; L711-C884 HydrophobicContact CG-CB 4.13Å; L711-A885 HydrophobicContact CD1-CB 4.33Å; L711-A885 HydrophobicContact CD2-CB 4.27Å; L711-I888 HydrophobicContact CD1-CD1 3.51Å; L711-I888 HydrophobicContact CG-CD1 4.05Å; L711-I888 WeakPolarHBondContact O-CD1 3.46Å
712E96.2Very high95.5Very high5 Ų522.4 Ų22.42%0.02312%0.116CC..Hα-helixtrans-67.9-32.2-178.8-59.583172.900111.6V674 L677 R710 L715 W716V674-E712 HydrophobicContact CG1-CB 3.92Å; V674-E712 HydrophobicContact CG1-CG 4.05Å; V674-E712 VanDerWaalsContact CG1-OE2 3.26Å; V674-E712 WeakPolarHBondContact CG1-OE2 3.22Å; V674-E712 WeakPolarHBondContact O-CB 3.47Å; V674-E712 WeakPolarHBondContact O-CG 3.34Å; L677-E712 VanDerWaalsContact CD2-C 3.5Å; L677-E712 HydrophobicContact CD2-CB 3.84Å; L677-E712 WeakPolarHBondContact CD2-O 3.38Å; R710-E712 VanDerWaalsContact C-N 3.31Å; R710-E712 PolarHBondContact O-N 3.2Å; E712-L715 WeakPolarHBondContact O-CB 3.33Å; E712-L715 PolarHBondContact O-N 3.03Å; E712-W716 PolarHBondContact O-N 2.91Å; E712-W716 VanDerWaalsContact O-N 3.1Å
713I96.8Very high95.5Very high0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-66.7-44.5173.6-62.4173.3000110.1A652 L703 S709 R710 L711 L715 W716 A717A652-I713 HydrophobicContact CB-CG1 4.28Å; A652-I713 HydrophobicContact CB-CG2 4.05Å; A652-I713 WeakPolarHBondContact O-CD1 3.32Å; L703-I713 HydrophobicContact CD1-CG2 3.78Å; L703-I713 HydrophobicContact CD2-CG2 3.81Å; L703-I713 HydrophobicContact CG-CG2 3.62Å; S709-I713 WeakPolarHBondContact OG-CG2 3.2Å; R710-I713 HydrophobicContact CB-CD1 4.23Å; R710-I713 HydrophobicContact CB-CG1 4.49Å; R710-I713 WeakPolarHBondContact O-CB 3.35Å; R710-I713 PolarHBondContact O-N 3.37Å; L711-I713 VanDerWaalsContact C-N 3.29Å; L711-I713 PolarHBondContact O-N 3.5Å; I713-L715 VanDerWaalsContact C-N 3.26Å; I713-L715 PolarHBondContact O-N 2.69Å; I713-W716 PolarHBondContact O-N 3.33Å; I713-A717 PolarHBondContact O-N 3.28Å
714H96.5Very high95.4Very high15 Ų1517.2 Ų17.27%0.0699%0.089CC..Hα-helixtrans-59.4-39.7173.8-57.7163.2000111.3V704 S709 R710 L711 A717 V718 F745 I888V704-H714 PolarHBondContact O-NE2 2.71Å; S709-H714 PolarHBondContact OG-CD2 3.08Å; S709-H714 PolarHBondContact OG-NE2 3.15Å; R710-H714 PolarHBondContact O-CD2 3.34Å; R710-H714 PolarHBondContact O-N 3.26Å; L711-H714 WeakPolarHBondContact O-CB 3.18Å; L711-H714 PolarHBondContact O-N 3.02Å; H714-A717 PolarHBondContact O-N 3.16Å; H714-V718 WeakPolarHBondContact O-CB 3.16Å; H714-V718 VanDerWaalsContact O-CG2 3.3Å; H714-V718 WeakPolarHBondContact O-CG2 3.39Å; H714-V718 PolarHBondContact O-N 3.46Å; H714-F745 HydrophobicContact CB-CZ 3.89Å; H714-F745 AromaticContact CG-CZ 3.64Å; H714-F745 AromaticContact ND1-CZ 3.85Å; H714-I888 HydrophobicContact CB-CD1 4.07Å
715L97.5Very high95.4Very high0 Ų017.5 Ų17.50%09%0.091CC..Hα-helixtrans-59.2-48.3175.7177.965000112.2V681 C682 L711 E712 I713 A717 W719 C884 L887 I888 M891V681-L715 HydrophobicContact CB-CD2 3.81Å; V681-L715 HydrophobicContact CB-CG 4.02Å; V681-L715 HydrophobicContact CG1-CD1 4.23Å; V681-L715 HydrophobicContact CG1-CD2 3.92Å; V681-L715 HydrophobicContact CG1-CG 3.64Å; C682-L715 VanDerWaalsContact SG-CD2 3.58Å; L711-L715 PolarHBondContact O-N 3.21Å; E712-L715 WeakPolarHBondContact O-CB 3.33Å; E712-L715 PolarHBondContact O-N 3.03Å; I713-L715 VanDerWaalsContact C-N 3.26Å; I713-L715 PolarHBondContact O-N 2.69Å; L715-A717 PolarHBondContact O-N 2.82Å; L715-W719 WeakPolarHBondContact O-CB 3.34Å; L715-W719 PolarHBondContact O-N 3.34Å; L715-C884 HydrophobicContact CD2-CB 3.96Å; L715-L887 HydrophobicContact CD1-CB 3.87Å; L715-L887 HydrophobicContact CD1-CD2 3.78Å; L715-L887 HydrophobicContact CD1-CG 3.77Å; L715-I888 HydrophobicContact CB-CD1 3.93Å; L715-I888 HydrophobicContact CB-CG1 3.74Å; L715-I888 HydrophobicContact CD1-CG1 3.72Å; L715-I888 HydrophobicContact CG-CG1 4.34Å; L715-M891 HydrophobicContact CD1-CE 3.59Å
716W97.9Very high95.3Very high1 Ų118.4 Ų18.40%0.00410%0.098CC..Hα-helixtrans-58.8-48176.2173.679.3000112.1Y645 A648 A652 L677 V681 W684 F700 L703 E712 I713 W719 A720Y645-W716 AromaticContact CD2-NE1 3.74Å; Y645-W716 HydrophobicContact CE2-CZ2 4.17Å; Y645-W716 AromaticContact CE2-NE1 3.61Å; Y645-W716 AromaticContact CZ-CZ2 3.89Å; Y645-W716 PolarHBondContact O-NE1 2.59Å; A648-W716 VanDerWaalsContact CB-CD1 3.5Å; A648-W716 HydrophobicContact CB-CG 4.33Å; A652-W716 HydrophobicContact CB-CD2 4.36Å; A652-W716 HydrophobicContact CB-CE3 4.02Å; L677-W716 HydrophobicContact CD2-CB 4.16Å; V681-W716 HydrophobicContact CG2-CB 4.1Å; W684-W716 AromaticContact CH2-CD1 3.88Å; F700-W716 HydrophobicContact CD1-CH2 4.26Å; F700-W716 AromaticContact CD1-CZ3 3.85Å; F700-W716 HydrophobicContact CD1-CZ3 3.85Å; F700-W716 HydrophobicContact CE1-CE3 4.26Å; F700-W716 AromaticContact CE1-CH2 3.56Å; F700-W716 HydrophobicContact CE1-CH2 3.56Å; F700-W716 HydrophobicContact CE1-CZ2 4.23Å; F700-W716 AromaticContact CE1-CZ3 3.56Å; F700-W716 HydrophobicContact CE1-CZ3 3.56Å; F700-W716 HydrophobicContact CZ-CH2 4.37Å; L703-W716 HydrophobicContact CD2-CE3 3.64Å; L703-W716 HydrophobicContact CD2-CZ3 3.36Å; E712-W716 PolarHBondContact O-N 2.91Å; E712-W716 VanDerWaalsContact O-N 3.1Å; I713-W716 PolarHBondContact O-N 3.33Å; W716-W719 PolarHBondContact O-N 2.89Å; W716-A720 WeakPolarHBondContact O-CB 3.38Å; W716-A720 PolarHBondContact O-N 3.02Å
717A97.7Very high95.2Very high0 Ų020.8 Ų20.80%011%0.106CC..Hα-helixtrans-62.9-48.2-178.700000112.2F700 V704 I713 H714 L715 W719 A720 I721F700-A717 HydrophobicContact CD1-CB 3.81Å; V704-A717 HydrophobicContact CG1-CB 3.46Å; V704-A717 VanDerWaalsContact CG1-CB 3.46Å; I713-A717 PolarHBondContact O-N 3.28Å; H714-A717 PolarHBondContact O-N 3.16Å; L715-A717 PolarHBondContact O-N 2.82Å; A717-W719 VanDerWaalsContact C-N 3.33Å; A717-W719 PolarHBondContact O-N 3.2Å; A717-A720 WeakPolarHBondContact O-CB 3.36Å; A717-A720 PolarHBondContact O-N 3.29Å; A717-I721 WeakPolarHBondContact O-CD1 3.48Å; A717-I721 VanDerWaalsContact O-CG1 3.31Å; A717-I721 WeakPolarHBondContact O-CG1 3.34Å; A717-I721 PolarHBondContact O-N 3.5Å; A717-I721 VanDerWaalsContact O-N 3.1Å
718V97.6Very high95.2Very high0 Ų021 Ų210%010%0.097CC..Hα-helixtrans-67.2-36179.4176.70000111.2H714 I721 H722 F745 L746 I888 M891 A892 I895H714-V718 WeakPolarHBondContact O-CB 3.16Å; H714-V718 VanDerWaalsContact O-CG2 3.3Å; H714-V718 WeakPolarHBondContact O-CG2 3.39Å; H714-V718 PolarHBondContact O-N 3.46Å; V718-I721 PolarHBondContact O-N 3.02Å; V718-H722 VanDerWaalsContact O-CB 3.22Å; V718-H722 WeakPolarHBondContact O-CB 3.41Å; V718-H722 PolarHBondContact O-N 3.05Å; V718-F745 HydrophobicContact CG2-CE1 3.97Å; V718-L746 HydrophobicContact CG1-CD2 4.22Å; V718-L746 HydrophobicContact CG2-CD2 3.89Å; V718-I888 HydrophobicContact CB-CG2 4.16Å; V718-I888 HydrophobicContact CG1-CG2 4.19Å; V718-I888 HydrophobicContact CG2-CG2 3.91Å; V718-M891 HydrophobicContact CB-CE 4.45Å; V718-M891 HydrophobicContact CG1-CB 3.79Å; V718-M891 HydrophobicContact CG1-CE 4.14Å; V718-A892 HydrophobicContact CG1-CB 4.34Å; V718-I895 HydrophobicContact CG1-CD1 4.02Å
719W97.3Very high95.2Very high6 Ų621 Ų212%0.02310%0.097CC..Hα-helixtrans-61.8-43.5173.1-172.699.3000111.7I641 Y645 V681 W684 P686 M691 L715 W716 A717 H722 H723 M891I641-W719 HydrophobicContact CD1-CH2 3.9Å; I641-W719 HydrophobicContact CD1-CZ2 3.93Å; Y645-W719 HydrophobicContact CD2-CE3 4.15Å; Y645-W719 AromaticContact CD2-CZ3 3.78Å; Y645-W719 HydrophobicContact CD2-CZ3 3.78Å; Y645-W719 HydrophobicContact CE2-CE3 4.32Å; Y645-W719 HydrophobicContact CE2-CZ3 4.18Å; V681-W719 HydrophobicContact CG1-CB 3.79Å; V681-W719 HydrophobicContact CG1-CG 3.77Å; W684-W719 HydrophobicContact CB-CZ2 4.15Å; W684-W719 AromaticContact CE3-CD2 3.73Å; W684-W719 HydrophobicContact CE3-CD2 3.73Å; W684-W719 AromaticContact CE3-CE2 3.69Å; W684-W719 AromaticContact CE3-CE3 3.89Å; W684-W719 HydrophobicContact CE3-CE3 3.89Å; W684-W719 HydrophobicContact CE3-CG 4.33Å; W684-W719 HydrophobicContact CE3-CH2 4.06Å; W684-W719 AromaticContact CE3-CZ2 3.86Å; W684-W719 HydrophobicContact CE3-CZ2 3.86Å; W684-W719 HydrophobicContact CE3-CZ3 4.06Å; W684-W719 HydrophobicContact CZ3-CD2 4.05Å; W684-W719 AromaticContact CZ3-CE3 3.86Å; W684-W719 HydrophobicContact CZ3-CE3 3.86Å; W684-W719 HydrophobicContact CZ3-CZ3 4.17Å; P686-W719 HydrophobicContact CB-CZ2 4.49Å; M691-W719 HydrophobicContact SD-CH2 4.18Å; L715-W719 WeakPolarHBondContact O-CB 3.34Å; L715-W719 PolarHBondContact O-N 3.34Å; W716-W719 PolarHBondContact O-N 2.89Å; A717-W719 VanDerWaalsContact C-N 3.33Å; A717-W719 PolarHBondContact O-N 3.2Å; W719-H722 PolarHBondContact O-N 2.99Å; W719-H723 HydrophobicContact CE3-CB 4.24Å; W719-H723 HydrophobicContact CH2-CB 4.2Å; W719-H723 HydrophobicContact CZ3-CB 3.99Å; W719-H723 WeakPolarHBondContact O-CB 3.34Å; W719-H723 PolarHBondContact O-N 2.8Å; W719-M891 HydrophobicContact CB-CE 3.82Å; W719-M891 HydrophobicContact CB-SD 4.05Å; W719-M891 HydrophobicContact CG-CE 4.46Å; W719-M891 HydrophobicContact CG-SD 4.18Å
720A96.8Very high95.2Very high0 Ų028 Ų280%013%0.131CC..Hα-helixtrans-61.1-47.3178.800000111.9Y645 F700 W716 A717 H723 I724Y645-A720 HydrophobicContact CE2-CB 3.78Å; F700-A720 HydrophobicContact CE1-CB 3.52Å; F700-A720 HydrophobicContact CZ-CB 3.53Å; W716-A720 WeakPolarHBondContact O-CB 3.38Å; W716-A720 PolarHBondContact O-N 3.02Å; A717-A720 WeakPolarHBondContact O-CB 3.36Å; A717-A720 PolarHBondContact O-N 3.29Å; A720-H723 PolarHBondContact O-N 3.5Å; A720-I724 PolarHBondContact O-N 2.87Å; A720-I724 VanDerWaalsContact O-N 3.16Å
721I96.8Very high95.2Very high0 Ų033.2 Ų33.20%015%0.151CC..Hα-helixtrans-62.5-48176.8-62.4157.7000110F697 F700 A717 V718 H723 I724 L725 L736 L742 I895F697-I721 HydrophobicContact CD1-CG1 4Å; F697-I721 HydrophobicContact CE1-CB 4.47Å; F697-I721 HydrophobicContact CE1-CG1 4.01Å; F697-I721 HydrophobicContact CE1-CG2 4.37Å; F697-I721 HydrophobicContact CZ-CG2 4.48Å; F700-I721 HydrophobicContact CB-CD1 4.31Å; F700-I721 HydrophobicContact CD2-CG1 4.45Å; F700-I721 HydrophobicContact CG-CD1 4.48Å; F700-I721 HydrophobicContact CG-CG1 4.45Å; A717-I721 WeakPolarHBondContact O-CD1 3.48Å; A717-I721 VanDerWaalsContact O-CG1 3.31Å; A717-I721 WeakPolarHBondContact O-CG1 3.34Å; A717-I721 PolarHBondContact O-N 3.5Å; A717-I721 VanDerWaalsContact O-N 3.1Å; V718-I721 PolarHBondContact O-N 3.02Å; I721-H723 PolarHBondContact O-N 2.87Å; I721-I724 WeakPolarHBondContact O-CG2 3.21Å; I721-I724 PolarHBondContact O-N 3.23Å; I721-L725 HydrophobicContact CG2-CD1 3.89Å; I721-L725 HydrophobicContact CG2-CD2 4.47Å; I721-L725 WeakPolarHBondContact O-CB 3.26Å; I721-L725 VanDerWaalsContact O-CD1 3.25Å; I721-L725 WeakPolarHBondContact O-CD1 3.26Å; I721-L725 PolarHBondContact O-N 2.87Å; I721-L736 HydrophobicContact CG2-CD1 4.5Å; I721-L736 HydrophobicContact CG2-CD2 4.27Å; I721-L742 HydrophobicContact CD1-CD1 3.92Å; I721-L742 HydrophobicContact CD1-CD2 3.7Å; I721-L742 HydrophobicContact CD1-CG 4.19Å; I721-I895 HydrophobicContact CB-CD1 4.14Å; I721-I895 HydrophobicContact CG2-CD1 3.76Å; I721-I895 HydrophobicContact CG2-CG1 4.34Å; I721-I895 HydrophobicContact CG2-CG2 4.46Å
722H96.4Very high95.2Very high25 Ų2532.7 Ų32.712%0.11615%0.148CC..Hα-helixtrans-58.4-48.6178.9179.4-92.2000111.5V718 W719 I724 L725 T726 M891 E894 I895V718-H722 VanDerWaalsContact O-CB 3.22Å; V718-H722 WeakPolarHBondContact O-CB 3.41Å; V718-H722 PolarHBondContact O-N 3.05Å; W719-H722 PolarHBondContact O-N 2.99Å; H722-I724 PolarHBondContact O-N 3.46Å; H722-L725 PolarHBondContact O-N 3.12Å; H722-T726 VanDerWaalsContact O-CG2 3.31Å; H722-T726 WeakPolarHBondContact O-CG2 3.42Å; H722-T726 PolarHBondContact O-N 3.26Å; H722-T726 PolarHBondContact O-OG1 3.43Å; H722-M891 HydrophobicContact CB-CB 4.01Å; H722-M891 HydrophobicContact CB-CG 4.21Å; H722-M891 HydrophobicContact CB-SD 4.13Å; H722-E894 IonicContact CD2-OE2 3.21Å; H722-E894 IonicContact CE1-OE2 2.68Å; H722-E894 IonicContact NE2-OE2 2.7Å; H722-E894 PolarHBondContact NE2-OE2 3.18Å; H722-I895 HydrophobicContact CB-CD1 3.92Å; H722-I895 HydrophobicContact CB-CG1 4.17Å
723H95.4Very high95.2Very high4 Ų432.4 Ų32.42%0.01915%0.147CC..Hα-helixtrans-55.9-51.6179.1174.559.5000111.6W719 A720 I721 L725 T726 R727W719-H723 HydrophobicContact CE3-CB 4.24Å; W719-H723 HydrophobicContact CH2-CB 4.2Å; W719-H723 HydrophobicContact CZ3-CB 3.99Å; W719-H723 WeakPolarHBondContact O-CB 3.34Å; W719-H723 PolarHBondContact O-N 2.8Å; A720-H723 PolarHBondContact O-N 3.5Å; I721-H723 PolarHBondContact O-N 2.87Å; H723-L725 PolarHBondContact O-N 3.32Å; H723-T726 PolarHBondContact O-N 3.28Å; H723-T726 PolarHBondContact O-OG1 2.9Å; H723-R727 WeakPolarHBondContact O-CG 3.24Å; H723-R727 PolarHBondContact O-N 3.04Å
724I95Very high95.1Very high0 Ų034 Ų340%016%0.156CC..Hα-helixtrans-70-35.5-176.4-167.160000112.6E690 V692 Y694 F697 A720 I721 H722 R727 K728 Y732E690-I724 HydrophobicContact CG-CD1 3.73Å; V692-I724 WeakPolarHBondContact O-CD1 3.27Å; Y694-I724 HydrophobicContact CD2-CB 4.3Å; Y694-I724 HydrophobicContact CD2-CG1 4.2Å; Y694-I724 HydrophobicContact CD2-CG2 3.97Å; Y694-I724 HydrophobicContact CE2-CB 3.93Å; Y694-I724 HydrophobicContact CE2-CG1 4.23Å; Y694-I724 HydrophobicContact CE2-CG2 3.8Å; F697-I724 HydrophobicContact CE1-CG2 3.94Å; F697-I724 HydrophobicContact CZ-CG2 3.88Å; A720-I724 PolarHBondContact O-N 2.87Å; A720-I724 VanDerWaalsContact O-N 3.16Å; I721-I724 WeakPolarHBondContact O-CG2 3.21Å; I721-I724 PolarHBondContact O-N 3.23Å; H722-I724 PolarHBondContact O-N 3.46Å; I724-R727 PolarHBondContact O-N 2.87Å; I724-K728 PolarHBondContact O-N 2.9Å; I724-Y732 HydrophobicContact CD1-CD2 4.18Å; I724-Y732 HydrophobicContact CD1-CE2 3.74Å; I724-Y732 HydrophobicContact CG1-CD1 4.35Å; I724-Y732 HydrophobicContact CG1-CD2 3.5Å; I724-Y732 VanDerWaalsContact CG1-CD2 3.5Å; I724-Y732 HydrophobicContact CG1-CE1 4.3Å; I724-Y732 HydrophobicContact CG1-CE2 3.4Å; I724-Y732 VanDerWaalsContact CG1-CE2 3.4Å; I724-Y732 HydrophobicContact CG1-CG 3.98Å; I724-Y732 HydrophobicContact CG2-CG 4.45Å
725L94.2Very high95Very high6 Ų634.8 Ų34.83%0.03116%0.162CC..Hα-helixtrans-65.8-38.1175.8-92.768.8000112F697 I721 H722 H723 R727 E729 V733 L736 I895F697-L725 HydrophobicContact CE2-CD1 4.17Å; F697-L725 HydrophobicContact CZ-CD1 3.65Å; I721-L725 HydrophobicContact CG2-CD1 3.89Å; I721-L725 HydrophobicContact CG2-CD2 4.47Å; I721-L725 WeakPolarHBondContact O-CB 3.26Å; I721-L725 VanDerWaalsContact O-CD1 3.25Å; I721-L725 WeakPolarHBondContact O-CD1 3.26Å; I721-L725 PolarHBondContact O-N 2.87Å; H722-L725 PolarHBondContact O-N 3.12Å; H723-L725 PolarHBondContact O-N 3.32Å; L725-R727 PolarHBondContact O-N 3.48Å; L725-E729 VanDerWaalsContact O-CA 3.26Å; L725-E729 WeakPolarHBondContact O-CA 3.47Å; L725-E729 WeakPolarHBondContact O-CB 3.36Å; L725-E729 PolarHBondContact O-N 2.97Å; L725-V733 HydrophobicContact CD2-CG2 4Å; L725-V733 HydrophobicContact CG-CG2 4.22Å; L725-L736 HydrophobicContact CD2-CD2 3.84Å; L725-I895 HydrophobicContact CD2-CB 4.47Å; L725-I895 HydrophobicContact CD2-CG1 4.35Å; L725-I895 HydrophobicContact CD2-CG2 3.79Å
726T92.6Very high94.9Very high73 Ų7334.8 Ų34.845%0.44816%0.162SC..Hα-helixtrans-66.2-20.2175.6610000113.6H722 H723H722-T726 VanDerWaalsContact O-CG2 3.31Å; H722-T726 WeakPolarHBondContact O-CG2 3.42Å; H722-T726 PolarHBondContact O-N 3.26Å; H722-T726 PolarHBondContact O-OG1 3.43Å; H723-T726 PolarHBondContact O-N 3.28Å; H723-T726 PolarHBondContact O-OG1 2.9Å
727R91.8Very high94.7Very high91 Ų9135.8 Ų35.834%0.34317%0.17SC..Hα-helixtrans-98-33.2179.5-58.6-58176.5-150.8-5.3113.2P687 H688 H723 I724 L725P687-R727 VanDerWaalsContact O-CZ 3.24Å; P687-R727 PolarHBondContact O-NE 3.42Å; P687-R727 VanDerWaalsContact O-NE 3.17Å; P687-R727 PolarHBondContact O-NH2 3.47Å; H688-R727 PolarHBondContact O-NE 3.4Å; H723-R727 WeakPolarHBondContact O-CG 3.24Å; H723-R727 PolarHBondContact O-N 3.04Å; I724-R727 PolarHBondContact O-N 2.87Å; L725-R727 PolarHBondContact O-N 3.48Å
728K92.1Very high94.5Very high100 Ų10043.3 Ų43.344%0.43521%0.205SC..Hα-helixtrans-141.647.4-170.2-66.3-65.7-176.6-179.70112E690 I724 M730 R731 Y732E690-K728 VanDerWaalsContact OE2-CE 3.24Å; E690-K728 WeakPolarHBondContact OE2-CE 3.34Å; I724-K728 PolarHBondContact O-N 2.9Å; K728-M730 PolarHBondContact O-N 2.61Å; K728-R731 HydrophobicContact CB-CB 4.41Å; K728-R731 PolarHBondContact O-N 2.68Å; K728-Y732 HydrophobicContact CB-CD2 3.64Å; K728-Y732 HydrophobicContact CB-CE2 3.99Å; K728-Y732 PolarHBondContact O-N 3.49Å
729E92Very high94.3Very high64 Ų6444.2 Ų44.230%0.29921%0.211SC..Hα-helixtrans-45.4-55-178.1-172.8167.4-163.800112.7L725 R731 Y732 V733 S898 R901L725-E729 VanDerWaalsContact O-CA 3.26Å; L725-E729 WeakPolarHBondContact O-CA 3.47Å; L725-E729 WeakPolarHBondContact O-CB 3.36Å; L725-E729 PolarHBondContact O-N 2.97Å; E729-R731 PolarHBondContact O-N 2.97Å; E729-R731 VanDerWaalsContact O-N 3.12Å; E729-Y732 PolarHBondContact O-N 2.73Å; E729-V733 HydrophobicContact CG-CG2 3.75Å; E729-V733 WeakPolarHBondContact O-CB 3.21Å; E729-V733 WeakPolarHBondContact O-CG2 3.39Å; E729-V733 PolarHBondContact O-N 3.22Å; E729-S898 VanDerWaalsContact CG-OG 3.26Å; E729-S898 WeakPolarHBondContact CG-OG 3.49Å; E729-S898 VanDerWaalsContact OE1-CB 3.32Å; E729-S898 WeakPolarHBondContact OE1-CB 3.19Å; E729-S898 PolarHBondContact OE1-OG 2.77Å; E729-R901 IonicContact OE1-CZ 3.61Å; E729-R901 IonicContact OE1-NE 2.58Å; E729-R901 IonicContact OE1-NH2 3.7Å; E729-R901 PolarHBondContact OE1-NH2 3.14Å; E729-R901 IonicContact OE2-NH2 2.7Å
730M91.7Very high94.1Very high151 Ų15149 Ų4974%0.74423%0.234SC*.Hα-helixtrans-58.8-28.2-178.2-67.4-60.8-64.200114.5K728K728-M730 PolarHBondContact O-N 2.61Å
731R92.3Very high94Very high144 Ų14451.9 Ų51.954%0.54325%0.252SS..Hα-helixtrans-86.5-44.8179.8-179.8-179.2177-169.51.6111.3K728 E729 V735K728-R731 HydrophobicContact CB-CB 4.41Å; K728-R731 PolarHBondContact O-N 2.68Å; E729-R731 PolarHBondContact O-N 2.97Å; E729-R731 VanDerWaalsContact O-N 3.12Å; R731-V735 WeakPolarHBondContact O-CG2 3.47Å
732Y95.3Very high93.9Very high1 Ų151.9 Ų51.90%0.00425%0.252CS..Hα-helixtrans-96.9-21.3-167-77.2-78000114.7A693 Y694 F697 I724 K728 E729 V735 L736A693-Y732 WeakPolarHBondContact CA-OH 3.24Å; A693-Y732 WeakPolarHBondContact CB-OH 3.43Å; Y694-Y732 HydrophobicContact CD2-CE1 4.43Å; Y694-Y732 PolarHBondContact N-OH 3.15Å; Y694-Y732 VanDerWaalsContact N-OH 3.08Å; Y694-Y732 WeakPolarHBondContact O-CE1 3.37Å; Y694-Y732 PolarHBondContact O-OH 2.99Å; Y694-Y732 VanDerWaalsContact O-OH 3.11Å; F697-Y732 AromaticContact CE2-CD1 3.92Å; F697-Y732 HydrophobicContact CE2-CD1 3.92Å; F697-Y732 AromaticContact CZ-CD1 3.66Å; F697-Y732 HydrophobicContact CZ-CD1 3.66Å; F697-Y732 HydrophobicContact CZ-CG 4.19Å; I724-Y732 HydrophobicContact CD1-CD2 4.18Å; I724-Y732 HydrophobicContact CD1-CE2 3.74Å; I724-Y732 HydrophobicContact CG1-CD1 4.35Å; I724-Y732 HydrophobicContact CG1-CD2 3.5Å; I724-Y732 VanDerWaalsContact CG1-CD2 3.5Å; I724-Y732 HydrophobicContact CG1-CE1 4.3Å; I724-Y732 HydrophobicContact CG1-CE2 3.4Å; I724-Y732 VanDerWaalsContact CG1-CE2 3.4Å; I724-Y732 HydrophobicContact CG1-CG 3.98Å; I724-Y732 HydrophobicContact CG2-CG 4.45Å; K728-Y732 HydrophobicContact CB-CD2 3.64Å; K728-Y732 HydrophobicContact CB-CE2 3.99Å; K728-Y732 PolarHBondContact O-N 3.49Å; E729-Y732 PolarHBondContact O-N 2.73Å; Y732-V735 PolarHBondContact O-N 2.84Å; Y732-L736 WeakPolarHBondContact O-CB 3.5Å; Y732-L736 PolarHBondContact O-N 3.25Å
733V95.1Very high93.9Very high0 Ų051.2 Ų51.20%025%0.249CC..Hα-helixtrans-59.8-44.8172.91710000111.9L725 E729 V735 L736 C737 S898 V899 T902L725-V733 HydrophobicContact CD2-CG2 4Å; L725-V733 HydrophobicContact CG-CG2 4.22Å; E729-V733 HydrophobicContact CG-CG2 3.75Å; E729-V733 WeakPolarHBondContact O-CB 3.21Å; E729-V733 WeakPolarHBondContact O-CG2 3.39Å; E729-V733 PolarHBondContact O-N 3.22Å; V733-V735 PolarHBondContact O-N 3.39Å; V733-L736 PolarHBondContact O-N 2.95Å; V733-C737 PolarHBondContact O-N 3.31Å; V733-C737 PolarHBondContact O-SG 3.48Å; V733-S898 WeakPolarHBondContact CG2-OG 3.2Å; V733-V899 HydrophobicContact CG1-CB 4.47Å; V733-V899 HydrophobicContact CG1-CG2 4.17Å; V733-T902 HydrophobicContact CB-CG2 4.33Å; V733-T902 HydrophobicContact CG1-CG2 3.93Å
734P94.3Very high93.8Very high32 Ų3253.8 Ų53.821%0.20827%0.268CS..Hα-helixtrans-58.6-44.7173.1-24.835000112.9L736 C737 E738 L906P734-L736 VanDerWaalsContact C-N 3.3Å; P734-L736 PolarHBondContact O-N 3Å; P734-C737 WeakPolarHBondContact O-CB 3.33Å; P734-C737 PolarHBondContact O-N 3.37Å; P734-E738 PolarHBondContact O-N 3.27Å; P734-E738 VanDerWaalsContact O-N 3.1Å; P734-L906 HydrophobicContact CG-CD1 4.35Å; P734-L906 HydrophobicContact CG-CD2 4.09Å
735V94.4Very high93.8Very high32 Ų3253.8 Ų53.819%0.19427%0.268CS..Hα-helixtrans-61.9-38178.3-178.30000111.5F697 R731 Y732 V733 E738F697-V735 HydrophobicContact CD2-CB 4.27Å; F697-V735 HydrophobicContact CD2-CG1 3.83Å; F697-V735 HydrophobicContact CE2-CB 4.18Å; F697-V735 HydrophobicContact CE2-CG1 4.12Å; R731-V735 WeakPolarHBondContact O-CG2 3.47Å; Y732-V735 PolarHBondContact O-N 2.84Å; V733-V735 PolarHBondContact O-N 3.39Å; V735-E738 PolarHBondContact O-N 2.97Å
736L96Very high93.9Very high0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-67.1-37.8174.1-179.161.3000111.8F697 I721 L725 Y732 V733 P734 E738 C739 L742 L746 I895 V899F697-L736 HydrophobicContact CD2-CB 3.86Å; F697-L736 HydrophobicContact CD2-CD1 4.12Å; F697-L736 HydrophobicContact CE2-CB 3.78Å; F697-L736 HydrophobicContact CG-CD1 4.5Å; I721-L736 HydrophobicContact CG2-CD1 4.5Å; I721-L736 HydrophobicContact CG2-CD2 4.27Å; L725-L736 HydrophobicContact CD2-CD2 3.84Å; Y732-L736 WeakPolarHBondContact O-CB 3.5Å; Y732-L736 PolarHBondContact O-N 3.25Å; V733-L736 PolarHBondContact O-N 2.95Å; P734-L736 VanDerWaalsContact C-N 3.3Å; P734-L736 PolarHBondContact O-N 3Å; L736-E738 PolarHBondContact O-N 3.15Å; L736-C739 PolarHBondContact O-N 3.04Å; L736-L742 HydrophobicContact CD1-CD2 3.65Å; L736-L742 HydrophobicContact CD1-CG 4Å; L736-L746 HydrophobicContact CD1-CD1 4.24Å; L736-L746 HydrophobicContact CD2-CD1 4.13Å; L736-I895 HydrophobicContact CD2-CG2 3.46Å; L736-I895 VanDerWaalsContact CD2-CG2 3.46Å; L736-V899 HydrophobicContact CD2-CG2 3.91Å
737C93.8Very high94Very high23 Ų2355.8 Ų55.816%0.15527%0.267CS..Hα-helixtrans-66.1-26.7177-65.30000112.7V733 P734 C739 Q740V733-C737 PolarHBondContact O-N 3.31Å; V733-C737 PolarHBondContact O-SG 3.48Å; P734-C737 WeakPolarHBondContact O-CB 3.33Å; P734-C737 PolarHBondContact O-N 3.37Å; C737-C739 VanDerWaalsContact C-N 3.29Å; C737-Q740 PolarHBondContact O-NE2 3.44Å
738E93.1Very high94Very high158 Ų15852.2 Ų52.274%0.73825%0.254SS*.Hα-helixtrans-71.6-25.3172.7-68.4172.6-174.900112P734 V735 L736 Q740P734-E738 PolarHBondContact O-N 3.27Å; P734-E738 VanDerWaalsContact O-N 3.1Å; V735-E738 PolarHBondContact O-N 2.97Å; L736-E738 PolarHBondContact O-N 3.15Å; E738-Q740 PolarHBondContact O-N 2.86Å
739C94.3Very high94.1Very high19 Ų1947.6 Ų47.613%0.12823%0.234CC..  trans-92.872.8178.2-163.30000112.1F697 L736 C737 P741 L742 L743F697-C739 HydrophobicContact CB-CB 4.29Å; L736-C739 PolarHBondContact O-N 3.04Å; C737-C739 VanDerWaalsContact C-N 3.29Å; C739-P741 VanDerWaalsContact C-CD 3.49Å; C739-L742 HydrophobicContact CB-CB 4.25Å; C739-L742 PolarHBondContact O-N 3.39Å; C739-L742 VanDerWaalsContact SG-CB 3.57Å; C739-L743 PolarHBondContact O-N 3.27Å; C739-L743 VanDerWaalsContact O-N 3.12Å
740Q93.7Very high94.2Very high107 Ų10746.5 Ų46.550%0.523%0.232SC..Hα-helixtrans-54.7-42.6-178-70.9-62.2-46.900115.3C737 E738 L742 L743 S744C737-Q740 PolarHBondContact O-NE2 3.44Å; E738-Q740 PolarHBondContact O-N 2.86Å; Q740-L742 VanDerWaalsContact C-N 3.28Å; Q740-L742 PolarHBondContact O-N 3.39Å; Q740-L743 PolarHBondContact O-N 3.49Å; Q740-S744 PolarHBondContact O-N 2.79Å; Q740-S744 PolarHBondContact O-OG 3.47Å
741P93.2Very high94.1Very high59 Ų5943.4 Ų43.438%0.38323%0.225SC..Hα-helixtrans-60.3-38.4179.5-24.435.2000112.9L705 C739 F745L705-P741 HydrophobicContact CD1-CB 3.4Å; L705-P741 VanDerWaalsContact CD1-CB 3.4Å; C739-P741 VanDerWaalsContact C-CD 3.49Å; P741-F745 PolarHBondContact O-N 3Å
742L95.6Very high94Very high0 Ų038.3 Ų38.30%021%0.207CC..Hα-helixtrans-71.2-38.2177.2-178.960.7000112F697 F700 V704 I721 L736 C739 Q740 F745 L746F697-L742 HydrophobicContact CB-CD2 3.6Å; F697-L742 HydrophobicContact CG-CD2 4.26Å; F700-L742 HydrophobicContact CB-CD2 4.28Å; V704-L742 HydrophobicContact CG2-CD1 3.87Å; I721-L742 HydrophobicContact CD1-CD1 3.92Å; I721-L742 HydrophobicContact CD1-CD2 3.7Å; I721-L742 HydrophobicContact CD1-CG 4.19Å; L736-L742 HydrophobicContact CD1-CD2 3.65Å; L736-L742 HydrophobicContact CD1-CG 4Å; C739-L742 HydrophobicContact CB-CB 4.25Å; C739-L742 PolarHBondContact O-N 3.39Å; C739-L742 VanDerWaalsContact SG-CB 3.57Å; Q740-L742 VanDerWaalsContact C-N 3.28Å; Q740-L742 PolarHBondContact O-N 3.39Å; L742-F745 HydrophobicContact CD1-CD1 4.3Å; L742-F745 WeakPolarHBondContact O-CB 3.16Å; L742-F745 PolarHBondContact O-N 2.86Å; L742-L746 WeakPolarHBondContact O-CG 3.12Å; L742-L746 PolarHBondContact O-N 3.35Å
743L95.1Very high93.7Very high11 Ų1142.9 Ų42.96%0.05823%0.231CC..Hα-helixtrans-64.2-41.5175.3-172.364000111.7C739 Q740 F745 L746 R747 L896 V899C739-L743 PolarHBondContact O-N 3.27Å; C739-L743 VanDerWaalsContact O-N 3.12Å; Q740-L743 PolarHBondContact O-N 3.49Å; L743-F745 VanDerWaalsContact C-N 3.35Å; L743-L746 PolarHBondContact O-N 2.88Å; L743-R747 WeakPolarHBondContact O-CG 3.32Å; L743-R747 PolarHBondContact O-N 3.41Å; L743-L896 HydrophobicContact CD1-CD2 3.63Å; L743-V899 HydrophobicContact CD1-CG1 4.43Å; L743-V899 HydrophobicContact CD1-CG2 4.4Å
744S94Very high93.3Very high59 Ų5944.9 Ų44.941%0.41324%0.241SC..Hα-helixtrans-60.8-43.5173.5-66.90000111.7Q740 L746 R747 L748Q740-S744 PolarHBondContact O-N 2.79Å; Q740-S744 PolarHBondContact O-OG 3.47Å; S744-L746 PolarHBondContact O-N 2.66Å; S744-R747 PolarHBondContact O-N 3.04Å; S744-L748 WeakPolarHBondContact O-CB 3.29Å; S744-L748 PolarHBondContact O-N 3.29Å
745F95.3Very high92.9Very high0 Ų044.6 Ų44.60%024%0.243CC..Hα-helixtrans-58-47.7173171.2-95.5000112V704 L705 H714 V718 P741 L742 L743 R747 L748 V749 L762V704-F745 HydrophobicContact CB-CD1 4.23Å; V704-F745 HydrophobicContact CB-CD2 4.31Å; V704-F745 HydrophobicContact CB-CE1 4.02Å; V704-F745 HydrophobicContact CB-CE2 4.1Å; V704-F745 HydrophobicContact CB-CG 4.37Å; V704-F745 HydrophobicContact CB-CZ 3.96Å; V704-F745 HydrophobicContact CG1-CE1 4.14Å; V704-F745 HydrophobicContact CG1-CZ 4.32Å; V704-F745 HydrophobicContact CG2-CB 4.32Å; V704-F745 HydrophobicContact CG2-CD1 3.8Å; V704-F745 HydrophobicContact CG2-CD2 4.09Å; V704-F745 HydrophobicContact CG2-CE1 4.12Å; V704-F745 HydrophobicContact CG2-CE2 4.38Å; V704-F745 HydrophobicContact CG2-CG 3.8Å; V704-F745 HydrophobicContact CG2-CZ 4.4Å; L705-F745 HydrophobicContact CD2-CB 4.37Å; H714-F745 HydrophobicContact CB-CZ 3.89Å; H714-F745 AromaticContact CG-CZ 3.64Å; H714-F745 AromaticContact ND1-CZ 3.85Å; V718-F745 HydrophobicContact CG2-CE1 3.97Å; P741-F745 PolarHBondContact O-N 3Å; L742-F745 HydrophobicContact CD1-CD1 4.3Å; L742-F745 WeakPolarHBondContact O-CB 3.16Å; L742-F745 PolarHBondContact O-N 2.86Å; L743-F745 VanDerWaalsContact C-N 3.35Å; F745-R747 PolarHBondContact O-N 3.39Å; F745-L748 WeakPolarHBondContact O-CB 3.33Å; F745-L748 PolarHBondContact O-N 2.99Å; F745-V749 HydrophobicContact CD1-CG2 4.27Å; F745-V749 HydrophobicContact CD2-CG2 4.29Å; F745-V749 HydrophobicContact CE1-CG2 3.79Å; F745-V749 HydrophobicContact CE2-CG2 3.82Å; F745-V749 HydrophobicContact CG-CG2 4.49Å; F745-V749 HydrophobicContact CZ-CG2 3.54Å; F745-V749 WeakPolarHBondContact O-CG2 3.18Å; F745-V749 PolarHBondContact O-N 3.31Å; F745-L762 HydrophobicContact CD2-CD2 4.49Å; F745-L762 HydrophobicContact CE2-CD2 4.07Å
746L96.6Very high92.5Very high0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-61.1-43.1179.1-70.5168.9000112.3V718 L736 L742 L743 S744 L748 V749 V750 A892 I895 L896V718-L746 HydrophobicContact CG1-CD2 4.22Å; V718-L746 HydrophobicContact CG2-CD2 3.89Å; L736-L746 HydrophobicContact CD1-CD1 4.24Å; L736-L746 HydrophobicContact CD2-CD1 4.13Å; L742-L746 WeakPolarHBondContact O-CG 3.12Å; L742-L746 PolarHBondContact O-N 3.35Å; L743-L746 PolarHBondContact O-N 2.88Å; S744-L746 PolarHBondContact O-N 2.66Å; L746-L748 VanDerWaalsContact C-N 3.31Å; L746-L748 PolarHBondContact O-N 2.89Å; L746-V749 PolarHBondContact O-N 2.98Å; L746-V750 WeakPolarHBondContact O-CG2 3.22Å; L746-V750 PolarHBondContact O-N 3.19Å; L746-A892 HydrophobicContact CD2-CB 3.85Å; L746-I895 HydrophobicContact CD1-CG2 3.81Å; L746-I895 HydrophobicContact CD2-CD1 4.31Å; L746-L896 HydrophobicContact CB-CD2 4.2Å; L746-L896 HydrophobicContact CB-CG 4.39Å
747R94.9Very high92Very high121 Ų12146.9 Ų46.946%0.45726%0.257SS..Hα-helixtrans-61.5-41175.6-71.2178.3-177.3-84.3-6.2111.7L743 S744 F745 V750 S751 L896 D900L743-R747 WeakPolarHBondContact O-CG 3.32Å; L743-R747 PolarHBondContact O-N 3.41Å; S744-R747 PolarHBondContact O-N 3.04Å; F745-R747 PolarHBondContact O-N 3.39Å; R747-V750 PolarHBondContact O-N 3.37Å; R747-S751 PolarHBondContact O-N 3.17Å; R747-S751 VanDerWaalsContact O-N 3.16Å; R747-L896 HydrophobicContact CG-CD1 4.02Å; R747-L896 HydrophobicContact CG-CD2 3.8Å; R747-D900 IonicContact NH2-OD1 3.47Å
748L92.2Very high91.6Very high16 Ų1646.5 Ų46.58%0.08425%0.254CS..Hα-helixtrans-66-41.3178-173.767.6000112.1S744 F745 L746 V750 S751 F752 L762 L766S744-L748 WeakPolarHBondContact O-CB 3.29Å; S744-L748 PolarHBondContact O-N 3.29Å; F745-L748 WeakPolarHBondContact O-CB 3.33Å; F745-L748 PolarHBondContact O-N 2.99Å; L746-L748 VanDerWaalsContact C-N 3.31Å; L746-L748 PolarHBondContact O-N 2.89Å; L748-V750 VanDerWaalsContact C-N 3.29Å; L748-V750 PolarHBondContact O-N 3.01Å; L748-S751 PolarHBondContact O-N 3.2Å; L748-S751 PolarHBondContact O-OG 3.05Å; L748-F752 HydrophobicContact CD1-CD2 4.04Å; L748-F752 HydrophobicContact CD1-CE2 3.25Å; L748-F752 HydrophobicContact CD1-CZ 3.49Å; L748-F752 VanDerWaalsContact CD1-CZ 3.49Å; L748-F752 HydrophobicContact CD2-CE2 3.82Å; L748-F752 HydrophobicContact CG-CD2 3.84Å; L748-F752 HydrophobicContact CG-CE2 3.3Å; L748-F752 HydrophobicContact CG-CZ 4.09Å; L748-F752 VanDerWaalsContact O-CD2 3.24Å; L748-F752 WeakPolarHBondContact O-CD2 3.46Å; L748-F752 PolarHBondContact O-N 3.34Å; L748-L762 HydrophobicContact CD2-CD2 4Å; L748-L762 HydrophobicContact CD2-CG 4.09Å; L748-L762 HydrophobicContact CG-CD2 4.25Å; L748-L766 HydrophobicContact CD2-CD1 3.73Å; L748-L766 HydrophobicContact CD2-CD2 3.71Å; L748-L766 HydrophobicContact CD2-CG 3.48Å; L748-L766 VanDerWaalsContact CD2-CG 3.48Å
749V93.2Very high90.6Very high2 Ų241 Ų411%0.01224%0.235CC..Hα-helixtrans-64-38178.8174.50000111.6F745 L746 S751 L757 L762 I888 R889F745-V749 HydrophobicContact CD1-CG2 4.27Å; F745-V749 HydrophobicContact CD2-CG2 4.29Å; F745-V749 HydrophobicContact CE1-CG2 3.79Å; F745-V749 HydrophobicContact CE2-CG2 3.82Å; F745-V749 HydrophobicContact CG-CG2 4.49Å; F745-V749 HydrophobicContact CZ-CG2 3.54Å; F745-V749 WeakPolarHBondContact O-CG2 3.18Å; F745-V749 PolarHBondContact O-N 3.31Å; L746-V749 PolarHBondContact O-N 2.98Å; V749-S751 VanDerWaalsContact C-N 3.34Å; V749-L757 HydrophobicContact CB-CD2 4.39Å; V749-L757 HydrophobicContact CG1-CD1 3.82Å; V749-L757 HydrophobicContact CG1-CD2 3.98Å; V749-L757 HydrophobicContact CG2-CD2 4.41Å; V749-L762 HydrophobicContact CG2-CD2 3.72Å; V749-I888 HydrophobicContact CG1-CB 4.35Å; V749-I888 HydrophobicContact CG1-CG2 3.49Å; V749-I888 VanDerWaalsContact CG1-CG2 3.49Å; V749-R889 HydrophobicContact CG1-CG 4.2Å
750V93.4Very high88.8Confident41 Ų4145 Ų4525%0.24825%0.252CS..Hα-helixtrans-69.7-31.5177.3174.90000112.1L746 R747 L748 A892 S893 L896L746-V750 WeakPolarHBondContact O-CG2 3.22Å; L746-V750 PolarHBondContact O-N 3.19Å; R747-V750 PolarHBondContact O-N 3.37Å; L748-V750 VanDerWaalsContact C-N 3.29Å; L748-V750 PolarHBondContact O-N 3.01Å; V750-A892 HydrophobicContact CG2-CB 3.63Å; V750-S893 WeakPolarHBondContact CG1-OG 3.48Å; V750-S893 WeakPolarHBondContact CG2-OG 3.41Å; V750-L896 HydrophobicContact CB-CD1 4.27Å; V750-L896 HydrophobicContact CG2-CD1 3.83Å
751S91.3Very high86.9Confident86 Ų8644.3 Ų44.360%0.60125%0.252SS*.Hα-helixtrans-77.1-18-179.4710000114.2R747 L748 V749R747-S751 PolarHBondContact O-N 3.17Å; R747-S751 VanDerWaalsContact O-N 3.16Å; L748-S751 PolarHBondContact O-N 3.2Å; L748-S751 PolarHBondContact O-OG 3.05Å; V749-S751 VanDerWaalsContact C-N 3.34Å
752F89.1Confident85.1Confident38 Ų3842.1 Ų42.117%0.16724%0.237CC..SBendtrans-90.4151.2177.5-72.3-46.2000114.1L748 V756 L757 L762 R889L748-F752 HydrophobicContact CD1-CD2 4.04Å; L748-F752 HydrophobicContact CD1-CE2 3.25Å; L748-F752 HydrophobicContact CD1-CZ 3.49Å; L748-F752 VanDerWaalsContact CD1-CZ 3.49Å; L748-F752 HydrophobicContact CD2-CE2 3.82Å; L748-F752 HydrophobicContact CG-CD2 3.84Å; L748-F752 HydrophobicContact CG-CE2 3.3Å; L748-F752 HydrophobicContact CG-CZ 4.09Å; L748-F752 VanDerWaalsContact O-CD2 3.24Å; L748-F752 WeakPolarHBondContact O-CD2 3.46Å; L748-F752 PolarHBondContact O-N 3.34Å; F752-V756 HydrophobicContact CB-CB 4.27Å; F752-V756 HydrophobicContact CB-CG1 4.22Å; F752-V756 HydrophobicContact CD1-CB 4.46Å; F752-V756 HydrophobicContact CD1-CG1 3.75Å; F752-V756 HydrophobicContact CE1-CG1 4.27Å; F752-V756 HydrophobicContact CG-CB 4.49Å; F752-V756 HydrophobicContact CG-CG1 3.92Å; F752-L757 HydrophobicContact CB-CD2 3.76Å; F752-L757 HydrophobicContact CB-CG 4.09Å; F752-L757 HydrophobicContact CD2-CD2 4.17Å; F752-L757 HydrophobicContact CG-CD2 4.46Å; F752-L762 HydrophobicContact CD2-CD1 3.65Å; F752-L762 HydrophobicContact CD2-CD2 4.23Å; F752-L762 HydrophobicContact CD2-CG 3.86Å; F752-L762 HydrophobicContact CE2-CD1 3.93Å; F752-L762 HydrophobicContact CE2-CD2 4.41Å; F752-L762 HydrophobicContact CE2-CG 3.79Å; F752-R889 VanDerWaalsContact O-CZ 3.3Å; F752-R889 PolarHBondContact O-NE 2.83Å; F752-R889 PolarHBondContact O-NH2 3.41Å
753D88.1Confident83Confident96 Ų9643.5 Ų43.551%0.51324%0.244SC..  trans-72.8153.5167.1-179.7-107.5000111.3G755 V756 L757D753-G755 VanDerWaalsContact C-N 3.26Å; D753-G755 PolarHBondContact O-N 3.34Å; D753-G755 PolarHBondContact OD1-N 2.91Å; D753-V756 HydrophobicContact CB-CG2 4.28Å; D753-V756 WeakPolarHBondContact O-CB 3.13Å; D753-V756 PolarHBondContact O-N 2.66Å; D753-L757 PolarHBondContact O-N 2.9Å
754E88Confident80.8Confident43 Ų4351.7 Ų51.720%0.20127%0.273CS..Hα-helixtrans-55.5-39.8180-70.9160.7-154.400112.6V756 L757 C758 L882 A885 R886 R889E754-V756 VanDerWaalsContact C-N 3.3Å; E754-V756 PolarHBondContact O-N 3.44Å; E754-L757 PolarHBondContact O-N 3.49Å; E754-C758 PolarHBondContact O-N 3.49Å; E754-C758 PolarHBondContact O-SG 3.34Å; E754-L882 HydrophobicContact CB-CD2 4.18Å; E754-A885 HydrophobicContact CB-CB 4.11Å; E754-A885 HydrophobicContact CG-CB 4.26Å; E754-R886 HydrophobicContact CG-CG 3.99Å; E754-R886 VanDerWaalsContact OE1-CG 3.27Å; E754-R886 WeakPolarHBondContact OE1-CG 3.45Å; E754-R886 WeakPolarHBondContact OE2-CG 3.25Å; E754-R886 IonicContact OE2-CZ 2.68Å; E754-R886 IonicContact OE2-NE 2.74Å; E754-R886 PolarHBondContact OE2-NE 2.79Å; E754-R886 IonicContact OE2-NH2 2.74Å; E754-R889 IonicContact OE1-NH1 2.82Å; E754-R889 PolarHBondContact OE1-NH1 2.9Å
755G85.3Confident78.7Confident25 Ų2553.4 Ų53.426%0.25828%0.275SS..Hα-helixtrans-63.6-36.8177.100000112.5D753 C758 A759D753-G755 VanDerWaalsContact C-N 3.26Å; D753-G755 PolarHBondContact O-N 3.34Å; D753-G755 PolarHBondContact OD1-N 2.91Å; G755-C758 PolarHBondContact O-N 2.9Å; G755-A759 VanDerWaalsContact O-CB 3.32Å; G755-A759 WeakPolarHBondContact O-CB 3.49Å; G755-A759 PolarHBondContact O-N 3.09Å
756V85.4Confident76.5Confident67 Ų6754.7 Ų54.741%0.40628%0.282SS..Hα-helixtrans-70.9-39.4179178.80000111.2F752 D753 E754 C758 A759F752-V756 HydrophobicContact CB-CB 4.27Å; F752-V756 HydrophobicContact CB-CG1 4.22Å; F752-V756 HydrophobicContact CD1-CB 4.46Å; F752-V756 HydrophobicContact CD1-CG1 3.75Å; F752-V756 HydrophobicContact CE1-CG1 4.27Å; F752-V756 HydrophobicContact CG-CB 4.49Å; F752-V756 HydrophobicContact CG-CG1 3.92Å; D753-V756 HydrophobicContact CB-CG2 4.28Å; D753-V756 WeakPolarHBondContact O-CB 3.13Å; D753-V756 PolarHBondContact O-N 2.66Å; E754-V756 VanDerWaalsContact C-N 3.3Å; E754-V756 PolarHBondContact O-N 3.44Å; V756-C758 PolarHBondContact O-N 3.13Å; V756-A759 PolarHBondContact O-N 3.41Å
757L85.9Confident74.1Confident14 Ų1461.5 Ų61.57%0.07331%0.312CS..Hα-helixtrans-60.1-37.7174.2-65.1179.6000111.7L711 V749 F752 D753 E754 L762 A885 R889L711-L757 HydrophobicContact CD1-CB 4.09Å; V749-L757 HydrophobicContact CB-CD2 4.39Å; V749-L757 HydrophobicContact CG1-CD1 3.82Å; V749-L757 HydrophobicContact CG1-CD2 3.98Å; V749-L757 HydrophobicContact CG2-CD2 4.41Å; F752-L757 HydrophobicContact CB-CD2 3.76Å; F752-L757 HydrophobicContact CB-CG 4.09Å; F752-L757 HydrophobicContact CD2-CD2 4.17Å; F752-L757 HydrophobicContact CG-CD2 4.46Å; D753-L757 PolarHBondContact O-N 2.9Å; E754-L757 PolarHBondContact O-N 3.49Å; L757-L762 HydrophobicContact CD2-CD1 3.5Å; L757-L762 VanDerWaalsContact CD2-CD1 3.5Å; L757-L762 HydrophobicContact CD2-CD2 4.04Å; L757-L762 HydrophobicContact CD2-CG 4.39Å; L757-A885 HydrophobicContact CB-CB 4.06Å; L757-A885 HydrophobicContact CD1-CB 4.16Å; L757-R889 HydrophobicContact CD1-CG 3.38Å
758C85.5Confident71.7Confident14 Ų1459.9 Ų59.910%0.09531%0.312CS..Hα-helixtrans-78.4-24.9178.2-57.50000114.1L711 E754 G755 V756 H760 P877 Q881L711-C758 HydrophobicContact CD2-CB 4.39Å; E754-C758 PolarHBondContact O-N 3.49Å; E754-C758 PolarHBondContact O-SG 3.34Å; G755-C758 PolarHBondContact O-N 2.9Å; V756-C758 PolarHBondContact O-N 3.13Å; C758-H760 PolarHBondContact O-N 3.22Å; C758-H760 VanDerWaalsContact O-N 3.09Å; C758-P877 HydrophobicContact CB-CB 3.4Å; C758-P877 HydrophobicContact CB-CG 4Å; C758-Q881 HydrophobicContact CB-CB 4.46Å
759A72.9Confident69.4Low42 Ų4264.8 Ų64.835%0.34733%0.334SS..THydrogen-bonded Turntrans-73.12.1-169.200000115.9G755 V756 F874G755-A759 VanDerWaalsContact O-CB 3.32Å; G755-A759 WeakPolarHBondContact O-CB 3.49Å; G755-A759 PolarHBondContact O-N 3.09Å; V756-A759 PolarHBondContact O-N 3.41Å; A759-F874 HydrophobicContact CB-CZ 3.83Å
760H56.8Low66.8Low105 Ų10570.6 Ų70.649%0.48636%0.362SS..SBendtrans57.5103.7-175.4-105.9-73000114.1C758C758-H760 PolarHBondContact O-N 3.22Å; C758-H760 VanDerWaalsContact O-N 3.09Å
761N53.8Low64.1Low92 Ų9271.9 Ų71.949%0.49237%0.37SS..  trans158.539.7147.6-84.8-46.8000111.9Q763 R764N761-Q763 PolarHBondContact O-N 3.13Å; N761-Q763 VanDerWaalsContact O-N 3.15Å; N761-R764 HydrophobicContact CB-CB 4.16Å; N761-R764 PolarHBondContact O-N 3.5Å
762L54Low61.3Low13 Ų1376 Ų767%0.06837%0.372CS..Hα-helixtrans-53.4-35.2172-118.283000112F745 L748 V749 F752 L757 L766F745-L762 HydrophobicContact CD2-CD2 4.49Å; F745-L762 HydrophobicContact CE2-CD2 4.07Å; L748-L762 HydrophobicContact CD2-CD2 4Å; L748-L762 HydrophobicContact CD2-CG 4.09Å; L748-L762 HydrophobicContact CG-CD2 4.25Å; V749-L762 HydrophobicContact CG2-CD2 3.72Å; F752-L762 HydrophobicContact CD2-CD1 3.65Å; F752-L762 HydrophobicContact CD2-CD2 4.23Å; F752-L762 HydrophobicContact CD2-CG 3.86Å; F752-L762 HydrophobicContact CE2-CD1 3.93Å; F752-L762 HydrophobicContact CE2-CD2 4.41Å; F752-L762 HydrophobicContact CE2-CG 3.79Å; L757-L762 HydrophobicContact CD2-CD1 3.5Å; L757-L762 VanDerWaalsContact CD2-CD1 3.5Å; L757-L762 HydrophobicContact CD2-CD2 4.04Å; L757-L762 HydrophobicContact CD2-CG 4.39Å; L762-L766 PolarHBondContact O-N 3.02Å
763Q52.8Low58.6Low29 Ų2977.5 Ų77.514%0.13639%0.388CS..Hα-helixtrans-83-32.7-172.5-68.4172.8-1500114.5V704 L705 H706 P707 N761 Q765 L766 F767V704-Q763 PolarHBondContact O-NE2 3.07Å; L705-Q763 VanDerWaalsContact C-NE2 3.31Å; H706-Q763 VanDerWaalsContact O-CD 3.26Å; H706-Q763 PolarHBondContact O-NE2 3.28Å; H706-Q763 PolarHBondContact O-OE1 3.2Å; P707-Q763 PolarHBondContact O-OE1 2.97Å; N761-Q763 PolarHBondContact O-N 3.13Å; N761-Q763 VanDerWaalsContact O-N 3.15Å; Q763-Q765 PolarHBondContact O-N 2.84Å; Q763-L766 PolarHBondContact O-N 3.36Å; Q763-L766 VanDerWaalsContact O-N 3.14Å; Q763-F767 PolarHBondContact O-N 2.81Å
764R48.3Very low55.9Low182 Ų18278.4 Ų78.469%0.68739%0.391SS*.Hα-helixtrans-58.1-31.9172.5-116.7-179.5-169.4178.34.3110.7N761 D768N761-R764 HydrophobicContact CB-CB 4.16Å; N761-R764 PolarHBondContact O-N 3.5Å; R764-D768 WeakPolarHBondContact O-CB 3.38Å; R764-D768 VanDerWaalsContact O-CG 3.25Å; R764-D768 PolarHBondContact O-N 3Å
765Q49.5Very low53.1Low96 Ų9681.4 Ų81.445%0.44941%0.409SS..Hα-helixtrans-80.8-29.5177.4-65.1-176.1-6.400114.1Q763 D768 Q769Q763-Q765 PolarHBondContact O-N 2.84Å; Q765-D768 PolarHBondContact O-N 3.09Å; Q765-Q769 PolarHBondContact O-N 3.37Å
766L49.4Very low50.4Low27 Ų2785.8 Ų85.814%0.14143%0.426CS..Hα-helixtrans-69.7-43.5172.4-78.7167.3000111.9L705 L748 L762 Q763 D768 Q769 E770L705-L766 HydrophobicContact CD2-CD1 3.74Å; L748-L766 HydrophobicContact CD2-CD1 3.73Å; L748-L766 HydrophobicContact CD2-CD2 3.71Å; L748-L766 HydrophobicContact CD2-CG 3.48Å; L748-L766 VanDerWaalsContact CD2-CG 3.48Å; L762-L766 PolarHBondContact O-N 3.02Å; Q763-L766 PolarHBondContact O-N 3.36Å; Q763-L766 VanDerWaalsContact O-N 3.14Å; L766-D768 VanDerWaalsContact C-N 3.25Å; L766-D768 PolarHBondContact O-N 3.29Å; L766-Q769 PolarHBondContact O-N 2.79Å; L766-Q769 VanDerWaalsContact O-N 3.08Å; L766-E770 PolarHBondContact O-N 3.23Å
767F46.6Very low47.7Very low142 Ų14289.1 Ų89.162%0.62344%0.441SS*.Hα-helixtrans-60.9-36.5173.6-111.9-86.2000111.8Q763 T771Q763-F767 PolarHBondContact O-N 2.81Å; F767-T771 PolarHBondContact O-N 3.24Å; F767-T771 PolarHBondContact O-OG1 2.9Å
768D44.2Very low44.9Very low87 Ų8798.3 Ų98.347%0.46548%0.477SS..Hα-helixtrans-73-23.7174.9-77.6-14000113.4R764 Q765 L766 T771 R772R764-D768 WeakPolarHBondContact O-CB 3.38Å; R764-D768 VanDerWaalsContact O-CG 3.25Å; R764-D768 PolarHBondContact O-N 3Å; Q765-D768 PolarHBondContact O-N 3.09Å; L766-D768 VanDerWaalsContact C-N 3.25Å; L766-D768 PolarHBondContact O-N 3.29Å; D768-T771 WeakPolarHBondContact CA-OG1 3.29Å; D768-T771 PolarHBondContact O-OG1 3Å; D768-R772 WeakPolarHBondContact O-CB 3.38Å; D768-R772 WeakPolarHBondContact O-CD 3.09Å; D768-R772 WeakPolarHBondContact O-CG 3.41Å; D768-R772 PolarHBondContact O-N 3.14Å
769Q44.6Very low41.9Very low119 Ų119107.6 Ų107.656%0.55651%0.51SS*.Hα-helixtrans-83-38.7175.7-83.8-172-8.200112.7Q765 L766 R772 S773Q765-Q769 PolarHBondContact O-N 3.37Å; L766-Q769 PolarHBondContact O-N 2.79Å; L766-Q769 VanDerWaalsContact O-N 3.08Å; Q769-R772 CarbonylContact O-C 3.41Å; Q769-R772 PolarHBondContact O-N 2.81Å; Q769-R772 VanDerWaalsContact O-N 3.11Å; Q769-S773 PolarHBondContact O-N 3.32Å
770E39.2Very low39.7Very low124 Ų124112.7 Ų112.758%0.57953%0.531SS*.Hα-helixtrans-66.7-38173.5-79.2-173164.800111.7L766 R772 S773 I774L766-E770 PolarHBondContact O-N 3.23Å; E770-R772 PolarHBondContact O-N 2.93Å; E770-S773 PolarHBondContact O-N 3.16Å; E770-I774 VanDerWaalsContact O-CG1 3.3Å; E770-I774 WeakPolarHBondContact O-CG1 3.45Å; E770-I774 PolarHBondContact O-N 3.04Å
771T35.6Very low38.2Very low68 Ų68114.7 Ų114.742%0.41755%0.545SS..Hα-helixtrans-67.5-22.2171.1400000113.3F767 D768 N775F767-T771 PolarHBondContact O-N 3.24Å; F767-T771 PolarHBondContact O-OG1 2.9Å; D768-T771 WeakPolarHBondContact CA-OG1 3.29Å; D768-T771 PolarHBondContact O-OG1 3Å; T771-N775 VanDerWaalsContact O-CB 3.26Å; T771-N775 WeakPolarHBondContact O-CB 3.45Å; T771-N775 VanDerWaalsContact O-CG 3.25Å; T771-N775 PolarHBondContact O-N 3.46Å; T771-N775 PolarHBondContact O-ND2 2.88Å
772R31.8Very low36.9Very low172 Ų172117.5 Ų117.565%0.64956%0.56SS**Hα-helixtrans-83.2-30.7171.8-76.2174.2-168.6-164.45.1113.3D768 Q769 E770 N776D768-R772 WeakPolarHBondContact O-CB 3.38Å; D768-R772 WeakPolarHBondContact O-CD 3.09Å; D768-R772 WeakPolarHBondContact O-CG 3.41Å; D768-R772 PolarHBondContact O-N 3.14Å; Q769-R772 CarbonylContact O-C 3.41Å; Q769-R772 PolarHBondContact O-N 2.81Å; Q769-R772 VanDerWaalsContact O-N 3.11Å; E770-R772 PolarHBondContact O-N 2.93Å; R772-N776 WeakPolarHBondContact O-CB 3.32Å; R772-N776 VanDerWaalsContact O-CG 3.29Å; R772-N776 PolarHBondContact O-N 2.86Å; R772-N776 VanDerWaalsContact O-N 3.16Å; R772-N776 PolarHBondContact O-ND2 3.41Å
773S33.1Very low35.3Very low71 Ų71124.4 Ų124.450%0.49760%0.597SS.*Hα-helixtrans-69.7-44.4172.4153.70000111.1Q769 E770 N775 N776Q769-S773 PolarHBondContact O-N 3.32Å; E770-S773 PolarHBondContact O-N 3.16Å; S773-N775 VanDerWaalsContact C-N 3.3Å; S773-N775 PolarHBondContact O-N 3.4Å; S773-N776 PolarHBondContact O-N 3.18Å
774I31.5Very low34.1Very low115 Ų115129.8 Ų129.859%0.5963%0.627SS**Hα-helixtrans-68.1-30.4178.7-64.3166.9000111.7E770E770-I774 VanDerWaalsContact O-CG1 3.3Å; E770-I774 WeakPolarHBondContact O-CG1 3.45Å; E770-I774 PolarHBondContact O-N 3.04Å
775N28.3Very low32.9Very low106 Ų106127.9 Ų127.957%0.56763%0.631SS**Hα-helixtrans-86.7-14.7179.1-77.3-39.1000114.9T771 S773T771-N775 VanDerWaalsContact O-CB 3.26Å; T771-N775 WeakPolarHBondContact O-CB 3.45Å; T771-N775 VanDerWaalsContact O-CG 3.25Å; T771-N775 PolarHBondContact O-N 3.46Å; T771-N775 PolarHBondContact O-ND2 2.88Å; S773-N775 VanDerWaalsContact C-N 3.3Å; S773-N775 PolarHBondContact O-N 3.4Å
776N29.2Very low31.8Very low116 Ų116129.4 Ų129.462%0.6265%0.646SS**Hα-helixtrans-90.2-20.7177.7-80.4-12.1000113.3R772 S773 Y778R772-N776 WeakPolarHBondContact O-CB 3.32Å; R772-N776 VanDerWaalsContact O-CG 3.29Å; R772-N776 PolarHBondContact O-N 2.86Å; R772-N776 VanDerWaalsContact O-N 3.16Å; R772-N776 PolarHBondContact O-ND2 3.41Å; S773-N776 PolarHBondContact O-N 3.18Å; N776-Y778 VanDerWaalsContact C-N 3.27Å; N776-Y778 PolarHBondContact O-N 3.17Å
777D28.6Very low30.5Very low137 Ų137136 Ų13673%0.73368%0.676SS**THydrogen-bonded Turntrans-82.92.4175.9-75.5-19000114.1
778Y26.7Very low29.4Very low208 Ų208135.4 Ų135.482%0.81668%0.68SS**THydrogen-bonded Turntrans-126.425.2176.7-81.2-79.7000114.4N776N776-Y778 VanDerWaalsContact C-N 3.27Å; N776-Y778 PolarHBondContact O-N 3.17Å
779R24.2Very low28.5Very low208 Ų208137.5 Ų137.579%0.78569%0.691SS**  trans-114.458.3169-79.6-173.5171.3-175.8-0.9111.7
780D26Very low27.5Very low150 Ų150138.3 Ų138.380%0.80270%0.699SS**SBendtrans-153.892.9152.4-98.3-24.9000107.1
781N25.1Very low26.8Very low146 Ų146138.6 Ų138.678%0.78170%0.704SS**SBendtrans157.1127.2142-80.1-42.6000111.8
782N26.1Very low26.2Very low151 Ų151145.2 Ų145.281%0.80772%0.723SS**  trans8187.1155.9-57.2-18000118.1D784N782-D784 PolarHBondContact O-N 3.1Å
783N21.7Very low25.6Very low158 Ų158142.3 Ų142.385%0.84573%0.728SS**  trans-46.7120.2136.6-71-34.3000110.4
784D25.9Very low25.1Very low142 Ų142144.2 Ų144.276%0.75974%0.737SS**  trans-169.5112135.6-97.2-31.4000110.7N782N782-D784 PolarHBondContact O-N 3.1Å
785N23.1Very low24.6Very low143 Ų143147.3 Ų147.377%0.76575%0.746SS**  trans35138.6139.5-61.3-50.1000122.6
786V26.3Very low24.3Very low128 Ų128149.2 Ų149.278%0.77676%0.756SS**  trans11491.5145.4-167.40000116.2
787E22.6Very low24Very low164 Ų164149.2 Ų149.277%0.76677%0.765SS**  40.2123.1123.4-63.3-171.3154.700122.3
788N23.9Very low23.7Very low130 Ų130150 Ų15070%0.69577%0.769SS**  82.4130.4124.7-76.8-24.4000122.5
789N25.6Very low23.6Very low132 Ų132145.6 Ų145.671%0.70677%0.766SS**  trans91.796.9146-70.5-24000119.5
790N22.4Very low23.4Very low135 Ų135143.1 Ų143.172%0.72277%0.767SS**  50.9131.4106.5-74.8-18.8000119.6
791N24.5Very low23.3Very low130 Ų130147 Ų14770%0.69577%0.77SS**  trans108.2114136.5-77.1-10.8000120
792Y24.2Very low23.1Very low208 Ų208144.7 Ų144.782%0.81677%0.765SS**  trans65.3107.4139.5-73.8-87.3000121.5
793C19.4Very low23.1Very low110 Ų110146 Ų14674%0.74377%0.771SS**  48.7131108.3-142.90000120.7
794V21.5Very low23.1Very low112 Ų112144 Ų14468%0.67977%0.765SS**  trans113.3109.2143.7-172.20000118
795K21.1Very low22.9Very low179 Ų179143.3 Ų143.378%0.77877%0.766SS**  trans76.4120142-73.7171-172.81790123.1
796N21.5Very low23Very low146 Ų146142.1 Ų142.178%0.78177%0.769SS**  71.5136.8127.7-71.51.3000122.3
797S23.3Very low22.6Very low117 Ų117141.6 Ų141.682%0.81877%0.77SS**  trans84.6110.3154.847.30000120.3
798D21.9Very low22.9Very low154 Ų154141.8 Ų141.882%0.82478%0.776SS**  trans-31.2149.7146.2-74.7-46000114.6
799P26.5Very low22.8Very low114 Ų114142 Ų14274%0.7478%0.782SS**  -150.7151.262.336.9-15.3000119.2
800I19.8Very low22.5Very low156 Ų156142.7 Ų142.780%0.878%0.784SS**  trans22.1113.6136.1-51.3174.2000117.7
801R23.1Very low22.5Very low233 Ų233147.9 Ų147.988%0.87979%0.793SS**  trans-165.6115.8135-112.6175.2-174.4-175.71.9113.7
802S21.6Very low22.5Very low97 Ų97146.6 Ų146.668%0.67879%0.792SS**  trans29.3115.4138.663.40000119.7
803L24.9Very low22.4Very low178 Ų178145.4 Ų145.493%0.93279%0.794SS**  trans-129.3125.2148.9-94.4157.7000110.1
804T22Very low22.7Very low116 Ų116145.1 Ų145.171%0.71279%0.79SS**  trans-80.2136.1-172.439.40000112.8
805T21Very low22.6Very low127 Ų127144.7 Ų144.778%0.77979%0.792SS**  trans15.3123137.848.50000118.9
806S25.6Very low22.8Very low118 Ų118141.6 Ų141.683%0.82579%0.793SS**  trans-141.9115.5135.6510000110.2
807C19.4Very low22.7Very low118 Ų118140.9 Ų140.980%0.79779%0.788SS**  trans-74.3133.1169.4-72.60000109
808N27Very low22.7Very low167 Ų167145.3 Ų145.389%0.89379%0.789SS**  trans-115.4137.6161.6-94.2-27.9000110.9
809V22.1Very low22.7Very low135 Ų135142.6 Ų142.682%0.81878%0.782SS**  trans-88.3142.5-159.2165.30000111.8
810I20.2Very low23.2Very low146 Ų146142.6 Ų142.675%0.74978%0.781SS**  trans-48.6140.6169.3-63.9158.5000113.2
811R22.9Very low23.3Very low245 Ų245140.1 Ų140.193%0.92578%0.778SS**  trans-140.8133.2143.8-93.4-169.3178.8-170.60112.1
812P23.6Very low23.2Very low102 Ų102134.8 Ų134.866%0.66277%0.771SS**  trans-101.4158.1-179.638.7-31.9000113
813Q23.1Very low23.2Very low183 Ų183137 Ų13786%0.85578%0.776SS**  trans-148.5158169-86.9-60.2-57.300109.1
814P24.2Very low23.1Very low104 Ų104133.6 Ų133.668%0.67577%0.767SS**  -123.8174-124.230.7-10.1000115.9
815S19.5Very low23Very low103 Ų103135.6 Ų135.672%0.7277%0.773SS**  trans-36.2139.3170.752.90000120.1
816S24.7Very low23.2Very low114 Ų114136.9 Ų136.980%0.79777%0.774SS**  trans-120.3137.8138.870.60000107.5
817I20.6Very low22.8Very low132 Ų132136.1 Ų136.168%0.67777%0.768SS**  cis9211831.5-66.1-177.4000114.3
818Y22.2Very low23Very low210 Ų210135.8 Ų135.882%0.82477%0.768SS**  trans81.494.6164.6-76.8-77.7000121.6
819S21.9Very low22.8Very low97 Ų97136.9 Ų136.968%0.67877%0.767SS**  38.6-179.3107.371.70000123.4
820P37.5Very low22.6Very low113 Ų113137.1 Ų137.173%0.73477%0.769SS**  -131168.2-79.140-21.4000114.2
821S22.7Very low22.8Very low105 Ų105136.1 Ų136.173%0.73477%0.772SS**  trans-173.5121.2155.40.80000109.5
822T21.2Very low22.6Very low120 Ų120128 Ų12874%0.73676%0.757SS**  55.2134.210059.80000113.3
823D20.3Very low22.4Very low144 Ų144130.7 Ų130.777%0.7777%0.765SS**  cis-178.4173.67.8-108.4-33.7000105.4
824S24.1Very low22.2Very low106 Ų106126.6 Ų126.674%0.74176%0.756SS**  trans79.3108.3165.771.80000116.7
825D20Very low21.9Very low159 Ų159130.5 Ų130.585%0.8577%0.765SS**  84144.165-85.5-30.9000114.1
826I23.5Very low22.1Very low153 Ų153130.1 Ų130.179%0.78577%0.768SS**  trans103.780.2166.7-50.2168.3000115.6
827S18.9Very low22.5Very low102 Ų102130.6 Ų130.671%0.71377%0.769SS**  11.4128.2119.957.10000120
828S23.7Very low22.4Very low112 Ų112129.4 Ų129.478%0.78378%0.778SS**  177.6102.3125.236.60000108
829E21.6Very low22.4Very low189 Ų189122.9 Ų122.988%0.88378%0.775SS**  72.496.6103.2-76.4-169.7167.100113.9
830V18.7Very low22.2Very low140 Ų140125.8 Ų125.885%0.84878%0.782SS**PPolyproline II helixtrans-75.3122.7166175.70000108.3
831P23.9Very low21.5Very low125 Ų125126.1 Ų126.181%0.81279%0.786SS**PPolyproline II helixtrans-82.8130.2167.715.6-2.4000110.3
832A19.4Very low21.2Very low76 Ų76129.5 Ų129.563%0.62879%0.788SS**PPolyproline II helixtrans-87.7156.8175.600000111.5
833L18.9Very low21.3Very low157 Ų157132.4 Ų132.482%0.82280%0.796SS**  trans75.7130140.6-71.6158000121.3
834C18.8Very low21.2Very low98 Ų98130 Ų13066%0.66279%0.79SS**  trans83.3109.7135.6-700000120.8
835E17.8Very low21Very low186 Ų186133.3 Ų133.387%0.86979%0.794SS**  49141.8118.1-68.4-174.7159.600122.6
836A23.1Very low21Very low94 Ų94130.3 Ų130.378%0.77779%0.785SS**  trans103157.5155.300000116.9
837P33.5Very low21Very low125 Ų125129.6 Ų129.681%0.81279%0.788SS**  -131.3176.5-72.335.3-18.9000113.5G839P837-G839 PolarHBondContact O-N 3.22Å
838A19.4Very low21Very low107 Ų107132.1 Ų132.188%0.88479%0.788SS**  trans-48.8126.9173.800000113.8
839G21.2Very low21Very low72 Ų72134.8 Ų134.874%0.74279%0.792SS**  trans-119.6119.1166.800000109.7P837P837-G839 PolarHBondContact O-N 3.22Å
840D18.6Very low20.9Very low158 Ų158132.8 Ų132.885%0.84578%0.783SS**  trans-53.8133.3170.5-71.1-49.7000111.7
841C21.5Very low21Very low121 Ų121131 Ų13182%0.81878%0.777SS**  trans-131.498.2165-141.20000109M843C841-M843 PolarHBondContact O-N 3.07Å
842F17.5Very low21Very low175 Ų175132.2 Ų132.277%0.76878%0.775SS**  trans-61.9122.6164.1-86.4-98.7000109.4
843M22Very low21Very low182 Ų182139 Ų13990%0.89779%0.785SS**  trans-134106.3157.2-85.7-74.6171.900108.4C841C841-M843 PolarHBondContact O-N 3.07Å
844S18.8Very low21Very low92 Ų92140.7 Ų140.764%0.64379%0.788SS**  trans-86.2162.1173.8-41.70000110.3
845E20.2Very low21.2Very low176 Ų176141.1 Ų141.182%0.82279%0.792SS**  trans87.295.8151.7-75.3-178.4-179.600120.2
846S20.1Very low21.4Very low96 Ų96137.5 Ų137.567%0.67179%0.788SS**  58.8113.5115.462.30000120.2
847V23.8Very low21.3Very low139 Ų139139.4 Ų139.484%0.84279%0.789SS**  trans-135.1117.7134.61770000108.9
848Q18.9Very low20.7Very low154 Ų154139 Ų13972%0.7279%0.785SS**  trans-69.5134.1169-68.7166.9-2900110
849I23.3Very low20.8Very low169 Ų169139.4 Ų139.487%0.86778%0.776SS**  trans-124.5111.2149.2-64-177.9000107
850Q19.4Very low20.9Very low147 Ų147145 Ų14569%0.68778%0.783SS**  trans-90.5150176.7-75.9177.1-2000111.1
851S20.3Very low20.9Very low103 Ų103144 Ų14472%0.7278%0.782SS**  trans83117.3144.479.30000119.4
852L23.8Very low21.1Very low149 Ų149146.7 Ų146.778%0.7878%0.782SS**  -177.8105.7103.5-89.3152.4000108.5
853R20.9Very low21.8Very low220 Ų220143.8 Ų143.883%0.8378%0.781SS**  54.1103.4111.8-69.8-172.8179.9-176.20.3114.5
854Q18.4Very low21.7Very low192 Ų192142 Ų14290%0.89778%0.78SS**  63.8104.688.8-78.5-171.7-12.300115.6
855S23.3Very low22.1Very low107 Ų107141.2 Ų141.275%0.74879%0.787SS**  trans-164.9104.414353.70000107.8
856S21.6Very low22.2Very low110 Ų110141.4 Ų141.477%0.76979%0.788SS**  69.492.994.2-50.80000113.3
857T20.5Very low22.5Very low133 Ų133142.6 Ų142.682%0.81680%0.796SS**  76.613498.8-26.70000116.3
858V21.4Very low22.7Very low118 Ų118140.5 Ų140.572%0.71579%0.793SS**  trans95.398.4152.9-1660000117.9
859T20.6Very low23.1Very low114 Ų114142.8 Ų142.870%0.69980%0.804SS**  trans11.6123.1133.857.40000119.3
860H23.2Very low23.4Very low190 Ų190138 Ų13888%0.8880%0.796SS**  trans-138.9118.8138.2-101.1-80.8000109.2
861V20.5Very low23.9Very low136 Ų136139 Ų13982%0.82481%0.805SS**  trans-101.9122.7167.1169.50000105.6
862E25.2Very low24.7Very low178 Ų178138.9 Ų138.983%0.83281%0.81SS**  trans-173.4160.7158.2-115.6-176.6-164.200110.9
863P31.3Very low25.4Very low114 Ų114135.7 Ų135.774%0.7481%0.805SS**  -124.5176.8-96.139-24.5000115.1G865P863-G865 PolarHBondContact O-N 3.37Å
864V21.4Very low26.4Very low146 Ų146132.7 Ų132.789%0.88580%0.798SS**  trans-47.1118.6173.9178.50000112.8
865G25.6Very low28.2Very low75 Ų75130 Ų13077%0.77379%0.794SS**  trans-121.8131.2169.300000110.3P863P863-G865 PolarHBondContact O-N 3.37Å
866Q21.9Very low30.5Very low180 Ų180126.7 Ų126.784%0.84178%0.778SS**  trans-76.9154.1-174.8-67.6168.9-22.800112.9
867S26.3Very low33.3Very low120 Ų120123.4 Ų123.484%0.83975%0.753SS**  trans85.9147.3143.576.50000120.9
868A28.5Very low36.4Very low96 Ų96119.7 Ų119.779%0.79373%0.729SS**  trans91.991.4168.800000117.5
869E27.2Very low39.5Very low201 Ų201121.9 Ų121.994%0.93973%0.731SS**  trans-6135.3139.6-64.5173.715200117.6
870G29.7Very low42.7Very low69 Ų69117.7 Ų117.771%0.71171%0.707SS**  trans137.494.5146.700000115.1
871I30.1Very low45.8Very low168 Ų168110.6 Ų110.686%0.86267%0.674SS**  trans72.180.1165.3-42.7173.9000113.4A873I871-A873 PolarHBondContact O-N 3.4Å
872A36.4Very low49.2Very low100 Ų100106 Ų10683%0.82665%0.645SS**  trans-56.3114.1159.500000108.3F874A872-F874 PolarHBondContact O-N 2.94Å; A872-F874 VanDerWaalsContact O-N 3.13Å
873A40.2Very low52.4Low82 Ų8299.4 Ų99.468%0.67862%0.62SS**  trans-51.1120.4167.800000107.9I871 V875I871-A873 PolarHBondContact O-N 3.4Å; A873-V875 VanDerWaalsContact C-N 3.27Å; A873-V875 PolarHBondContact O-N 3.13Å
874F41.3Very low55.4Low158 Ų15894 Ų9469%0.69359%0.585SS**  trans-65.391.5176.7-161.7-90.3000107.5A759 A872 G876A759-F874 HydrophobicContact CB-CZ 3.83Å; A872-F874 PolarHBondContact O-N 2.94Å; A872-F874 VanDerWaalsContact O-N 3.13Å; F874-G876 PolarHBondContact O-N 3.09Å
875V55.3Low58.9Low134 Ų13487 Ų8781%0.81254%0.543SS*.  trans-63.8108.9164.1-178.60000104.2A873A873-V875 VanDerWaalsContact C-N 3.27Å; A873-V875 PolarHBondContact O-N 3.13Å
876G71.6Confident62.2Low39 Ų3989 Ų8940%0.40253%0.527SS..PPolyproline II helixtrans-54.5165.4176.600000111.3F874 D878F874-G876 PolarHBondContact O-N 3.09Å; G876-D878 PolarHBondContact O-N 3.23Å
877P80.6Confident65.7Low40 Ų4082.7 Ų82.726%0.2650%0.499SS..PPolyproline II helixtrans-58.6139.5-176.427.3-36000111.6C758 Q881 L882C758-P877 HydrophobicContact CB-CB 3.4Å; C758-P877 HydrophobicContact CB-CG 4Å; P877-Q881 VanDerWaalsContact CA-OE1 3.31Å; P877-Q881 HydrophobicContact CB-CB 4.16Å; P877-L882 HydrophobicContact CB-CD2 4.36Å; P877-L882 HydrophobicContact CB-CG 4.17Å; P877-L882 HydrophobicContact CG-CD1 4.39Å; P877-L882 HydrophobicContact CG-CD2 3.83Å; P877-L882 HydrophobicContact CG-CG 3.98Å
878D86Confident69Low56 Ų5677.1 Ų77.130%0.29946%0.459SS..PPolyproline II helixtrans-71163.9174.781.515.3000111K675 G876 S880 Q881 L882K675-D878 IonicContact NZ-OD2 2.66Å; K675-D878 PolarHBondContact NZ-OD2 2.76Å; G876-D878 PolarHBondContact O-N 3.23Å; D878-S880 PolarHBondContact O-N 3.02Å; D878-S880 WeakPolarHBondContact OD1-CA 3.48Å; D878-S880 WeakPolarHBondContact OD1-CB 3.34Å; D878-S880 PolarHBondContact OD1-N 3.37Å; D878-Q881 PolarHBondContact O-N 2.83Å; D878-Q881 VanDerWaalsContact O-N 3.13Å; D878-Q881 WeakPolarHBondContact OD1-CG 3.44Å; D878-Q881 PolarHBondContact OD1-N 3.48Å; D878-L882 PolarHBondContact O-N 2.84Å
879E87.2Confident72.2Confident163 Ų16375.8 Ų75.876%0.76243%0.434SS*.Hα-helixtrans-59.3-31.3-178.4-173.5176.9-170.700112.4L882 A883E879-L882 PolarHBondContact O-N 3.47Å; E879-A883 WeakPolarHBondContact O-CB 3.2Å; E879-A883 PolarHBondContact O-N 3.37Å
880S87.1Confident75.5Confident27 Ų2772.2 Ų72.219%0.18942%0.415CS..Hα-helixtrans-68.1-42.2177.4-170.80000111.1D878 A883 C884D878-S880 PolarHBondContact O-N 3.02Å; D878-S880 WeakPolarHBondContact OD1-CA 3.48Å; D878-S880 WeakPolarHBondContact OD1-CB 3.34Å; D878-S880 PolarHBondContact OD1-N 3.37Å; S880-A883 PolarHBondContact O-N 3.41Å; S880-C884 PolarHBondContact O-N 2.86Å; S880-C884 PolarHBondContact O-SG 3.27Å
881Q89.3Confident78.7Confident41 Ų4169.3 Ų69.319%0.19238%0.383CS..Hα-helixtrans-65-44.9175.7-70.3175.4-4000111L711 C758 P877 D878 A883 C884 A885L711-Q881 HydrophobicContact CD2-CB 4.09Å; L711-Q881 VanDerWaalsContact CD2-O 3.29Å; L711-Q881 WeakPolarHBondContact CD2-O 3.21Å; C758-Q881 HydrophobicContact CB-CB 4.46Å; P877-Q881 VanDerWaalsContact CA-OE1 3.31Å; P877-Q881 HydrophobicContact CB-CB 4.16Å; D878-Q881 PolarHBondContact O-N 2.83Å; D878-Q881 VanDerWaalsContact O-N 3.13Å; D878-Q881 WeakPolarHBondContact OD1-CG 3.44Å; D878-Q881 PolarHBondContact OD1-N 3.48Å; Q881-A883 VanDerWaalsContact C-N 3.31Å; Q881-A883 PolarHBondContact O-N 3.31Å; Q881-C884 WeakPolarHBondContact O-CB 3.35Å; Q881-C884 PolarHBondContact O-N 3.15Å; Q881-C884 VanDerWaalsContact O-N 3.14Å; Q881-A885 PolarHBondContact O-N 3.49Å
882L91.4Very high81.9Confident40 Ų4061.3 Ų61.321%0.20934%0.342CS..Hα-helixtrans-60.5-39.5175.1-73.1171.3000112.2E754 P877 D878 E879 A885 R886E754-L882 HydrophobicContact CB-CD2 4.18Å; P877-L882 HydrophobicContact CB-CD2 4.36Å; P877-L882 HydrophobicContact CB-CG 4.17Å; P877-L882 HydrophobicContact CG-CD1 4.39Å; P877-L882 HydrophobicContact CG-CD2 3.83Å; P877-L882 HydrophobicContact CG-CG 3.98Å; D878-L882 PolarHBondContact O-N 2.84Å; E879-L882 PolarHBondContact O-N 3.47Å; L882-A885 PolarHBondContact O-N 3.1Å; L882-R886 WeakPolarHBondContact O-CB 3.38Å; L882-R886 VanDerWaalsContact O-CG 3.26Å; L882-R886 WeakPolarHBondContact O-CG 3.43Å; L882-R886 PolarHBondContact O-N 3.49Å
883A92.2Very high84.8Confident39 Ų3959 Ų5932%0.32232%0.32SS..Hα-helixtrans-62.1-41.9174.100000112.2E879 S880 Q881 L887E879-A883 WeakPolarHBondContact O-CB 3.2Å; E879-A883 PolarHBondContact O-N 3.37Å; S880-A883 PolarHBondContact O-N 3.41Å; Q881-A883 VanDerWaalsContact C-N 3.31Å; Q881-A883 PolarHBondContact O-N 3.31Å; A883-L887 WeakPolarHBondContact O-CB 3.38Å; A883-L887 PolarHBondContact O-N 3.13Å; A883-L887 VanDerWaalsContact O-N 3.11Å
884C93.9Very high87.5Confident0 Ų059 Ų590%031%0.306CS..Hα-helixtrans-62.1-50.4174.9-63.50000111.1L711 L715 S880 Q881 R886 L887 I888L711-C884 HydrophobicContact CD2-CB 3.98Å; L711-C884 HydrophobicContact CG-CB 4.13Å; L715-C884 HydrophobicContact CD2-CB 3.96Å; S880-C884 PolarHBondContact O-N 2.86Å; S880-C884 PolarHBondContact O-SG 3.27Å; Q881-C884 WeakPolarHBondContact O-CB 3.35Å; Q881-C884 PolarHBondContact O-N 3.15Å; Q881-C884 VanDerWaalsContact O-N 3.14Å; C884-R886 VanDerWaalsContact C-N 3.34Å; C884-R886 PolarHBondContact O-N 3.39Å; C884-L887 PolarHBondContact O-N 3.21Å; C884-I888 WeakPolarHBondContact O-CG1 3.26Å; C884-I888 PolarHBondContact O-N 2.59Å
885A94.2Very high90.2Very high0 Ų051.5 Ų51.50%027%0.273CS..Hα-helixtrans-57.2-45179.300000112.4L711 E754 L757 Q881 L882 L887 I888 R889L711-A885 HydrophobicContact CD1-CB 4.33Å; L711-A885 HydrophobicContact CD2-CB 4.27Å; E754-A885 HydrophobicContact CB-CB 4.11Å; E754-A885 HydrophobicContact CG-CB 4.26Å; L757-A885 HydrophobicContact CB-CB 4.06Å; L757-A885 HydrophobicContact CD1-CB 4.16Å; Q881-A885 PolarHBondContact O-N 3.49Å; L882-A885 PolarHBondContact O-N 3.1Å; A885-L887 PolarHBondContact O-N 3.26Å; A885-I888 PolarHBondContact O-N 2.96Å; A885-R889 WeakPolarHBondContact O-CG 3.3Å; A885-R889 PolarHBondContact O-N 3.28Å
886R95.1Very high92.1Very high116 Ų11645.9 Ų45.944%0.43824%0.238SC..Hα-helixtrans-56.7-49.5175-76.9169.1-165.9144.45.7112.3E754 L882 C884 R889 K890E754-R886 HydrophobicContact CG-CG 3.99Å; E754-R886 VanDerWaalsContact OE1-CG 3.27Å; E754-R886 WeakPolarHBondContact OE1-CG 3.45Å; E754-R886 WeakPolarHBondContact OE2-CG 3.25Å; E754-R886 IonicContact OE2-CZ 2.68Å; E754-R886 IonicContact OE2-NE 2.74Å; E754-R886 PolarHBondContact OE2-NE 2.79Å; E754-R886 IonicContact OE2-NH2 2.74Å; L882-R886 WeakPolarHBondContact O-CB 3.38Å; L882-R886 VanDerWaalsContact O-CG 3.26Å; L882-R886 WeakPolarHBondContact O-CG 3.43Å; L882-R886 PolarHBondContact O-N 3.49Å; C884-R886 VanDerWaalsContact C-N 3.34Å; C884-R886 PolarHBondContact O-N 3.39Å; R886-R889 PolarHBondContact O-N 3.08Å; R886-K890 WeakPolarHBondContact O-CB 3.45Å; R886-K890 PolarHBondContact O-N 3.08Å
887L95.6Very high93.2Very high48 Ų4846 Ų4625%0.25124%0.236SC..Hα-helixtrans-67.6-40.9-176-173.355.9000111.1L715 A883 C884 A885 K890 M891L715-L887 HydrophobicContact CD1-CB 3.87Å; L715-L887 HydrophobicContact CD1-CD2 3.78Å; L715-L887 HydrophobicContact CD1-CG 3.77Å; A883-L887 WeakPolarHBondContact O-CB 3.38Å; A883-L887 PolarHBondContact O-N 3.13Å; A883-L887 VanDerWaalsContact O-N 3.11Å; C884-L887 PolarHBondContact O-N 3.21Å; A885-L887 PolarHBondContact O-N 3.26Å; L887-K890 PolarHBondContact O-N 3.07Å; L887-M891 HydrophobicContact CD1-CE 4.43Å; L887-M891 HydrophobicContact CD1-CG 4.23Å; L887-M891 HydrophobicContact CD1-SD 4.19Å; L887-M891 HydrophobicContact CG-CE 3.83Å; L887-M891 HydrophobicContact CG-SD 4.19Å; L887-M891 WeakPolarHBondContact O-CB 3.33Å; L887-M891 WeakPolarHBondContact O-CG 3.46Å; L887-M891 PolarHBondContact O-N 3.32Å
888I96.2Very high93.8Very high2 Ų244.4 Ų44.41%0.0123%0.225CC..Hα-helixtrans-58.9-51.4173.8-60.3160.3000110.4L711 H714 L715 V718 V749 C884 A885 K890 M891 A892L711-I888 HydrophobicContact CD1-CD1 3.51Å; L711-I888 HydrophobicContact CG-CD1 4.05Å; L711-I888 WeakPolarHBondContact O-CD1 3.46Å; H714-I888 HydrophobicContact CB-CD1 4.07Å; L715-I888 HydrophobicContact CB-CD1 3.93Å; L715-I888 HydrophobicContact CB-CG1 3.74Å; L715-I888 HydrophobicContact CD1-CG1 3.72Å; L715-I888 HydrophobicContact CG-CG1 4.34Å; V718-I888 HydrophobicContact CB-CG2 4.16Å; V718-I888 HydrophobicContact CG1-CG2 4.19Å; V718-I888 HydrophobicContact CG2-CG2 3.91Å; V749-I888 HydrophobicContact CG1-CB 4.35Å; V749-I888 HydrophobicContact CG1-CG2 3.49Å; V749-I888 VanDerWaalsContact CG1-CG2 3.49Å; C884-I888 WeakPolarHBondContact O-CG1 3.26Å; C884-I888 PolarHBondContact O-N 2.59Å; A885-I888 PolarHBondContact O-N 2.96Å; I888-K890 VanDerWaalsContact C-N 3.33Å; I888-K890 PolarHBondContact O-N 3.24Å; I888-M891 PolarHBondContact O-N 3.44Å; I888-A892 WeakPolarHBondContact O-CB 3.28Å; I888-A892 PolarHBondContact O-N 2.99Å
889R96.2Very high94.1Very high69 Ų6941.7 Ų41.726%0.2621%0.211SC..Hα-helixtrans-57.7-47.5-179.1-72.7179.576.2-148.85.1111.5V749 F752 E754 L757 A885 R886 A892 S893V749-R889 HydrophobicContact CG1-CG 4.2Å; F752-R889 VanDerWaalsContact O-CZ 3.3Å; F752-R889 PolarHBondContact O-NE 2.83Å; F752-R889 PolarHBondContact O-NH2 3.41Å; E754-R889 IonicContact OE1-NH1 2.82Å; E754-R889 PolarHBondContact OE1-NH1 2.9Å; L757-R889 HydrophobicContact CD1-CG 3.38Å; A885-R889 WeakPolarHBondContact O-CG 3.3Å; A885-R889 PolarHBondContact O-N 3.28Å; R886-R889 PolarHBondContact O-N 3.08Å; R889-A892 PolarHBondContact O-N 2.74Å; R889-S893 WeakPolarHBondContact O-CB 3.27Å; R889-S893 PolarHBondContact O-N 3.47Å; R889-S893 PolarHBondContact O-OG 2.94Å; R889-S893 VanDerWaalsContact O-OG 3.07Å
890K96.2Very high94.3Very high126 Ų12637.9 Ų37.955%0.54820%0.196SC..Hα-helixtrans-56.9-54.2177.9-179.1-175.9173.4-173.90111.4R886 L887 I888 A892 S893 E894R886-K890 WeakPolarHBondContact O-CB 3.45Å; R886-K890 PolarHBondContact O-N 3.08Å; L887-K890 PolarHBondContact O-N 3.07Å; I888-K890 VanDerWaalsContact C-N 3.33Å; I888-K890 PolarHBondContact O-N 3.24Å; K890-A892 PolarHBondContact O-N 2.7Å; K890-S893 PolarHBondContact O-N 3.11Å; K890-E894 WeakPolarHBondContact CE-OE1 3.26Å; K890-E894 WeakPolarHBondContact CG-OE1 3.4Å; K890-E894 WeakPolarHBondContact O-CG 3.24Å; K890-E894 PolarHBondContact O-N 3.44Å
891M97.4Very high94.3Very high7 Ų743.9 Ų43.93%0.03421%0.214CC..Hα-helixtrans-64-40.6-178.7-69.9-175-53.900111.9L715 V718 W719 H722 L887 I888 E894 I895L715-M891 HydrophobicContact CD1-CE 3.59Å; V718-M891 HydrophobicContact CB-CE 4.45Å; V718-M891 HydrophobicContact CG1-CB 3.79Å; V718-M891 HydrophobicContact CG1-CE 4.14Å; W719-M891 HydrophobicContact CB-CE 3.82Å; W719-M891 HydrophobicContact CB-SD 4.05Å; W719-M891 HydrophobicContact CG-CE 4.46Å; W719-M891 HydrophobicContact CG-SD 4.18Å; H722-M891 HydrophobicContact CB-CB 4.01Å; H722-M891 HydrophobicContact CB-CG 4.21Å; H722-M891 HydrophobicContact CB-SD 4.13Å; L887-M891 HydrophobicContact CD1-CE 4.43Å; L887-M891 HydrophobicContact CD1-CG 4.23Å; L887-M891 HydrophobicContact CD1-SD 4.19Å; L887-M891 HydrophobicContact CG-CE 3.83Å; L887-M891 HydrophobicContact CG-SD 4.19Å; L887-M891 WeakPolarHBondContact O-CB 3.33Å; L887-M891 WeakPolarHBondContact O-CG 3.46Å; L887-M891 PolarHBondContact O-N 3.32Å; I888-M891 PolarHBondContact O-N 3.44Å; M891-E894 PolarHBondContact O-N 3.06Å; M891-I895 WeakPolarHBondContact O-CD1 3.4Å; M891-I895 VanDerWaalsContact O-CG1 3.25Å; M891-I895 WeakPolarHBondContact O-CG1 3.46Å; M891-I895 PolarHBondContact O-N 3.35Å
892A97.3Very high94Very high0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-64-41176.600000112.1V718 L746 V750 I888 R889 K890 I895 L896V718-A892 HydrophobicContact CG1-CB 4.34Å; L746-A892 HydrophobicContact CD2-CB 3.85Å; V750-A892 HydrophobicContact CG2-CB 3.63Å; I888-A892 WeakPolarHBondContact O-CB 3.28Å; I888-A892 PolarHBondContact O-N 2.99Å; R889-A892 PolarHBondContact O-N 2.74Å; K890-A892 PolarHBondContact O-N 2.7Å; A892-I895 PolarHBondContact O-N 3.23Å; A892-L896 WeakPolarHBondContact O-CB 3.4Å; A892-L896 VanDerWaalsContact O-CG 3.3Å; A892-L896 WeakPolarHBondContact O-CG 3.45Å; A892-L896 PolarHBondContact O-N 2.68Å
893S97.1Very high93.2Very high51 Ų5143.9 Ų43.936%0.35722%0.216SC..Hα-helixtrans-62.4-41.6173.6-64.80000112.2V750 R889 K890 L896 A897V750-S893 WeakPolarHBondContact CG1-OG 3.48Å; V750-S893 WeakPolarHBondContact CG2-OG 3.41Å; R889-S893 WeakPolarHBondContact O-CB 3.27Å; R889-S893 PolarHBondContact O-N 3.47Å; R889-S893 PolarHBondContact O-OG 2.94Å; R889-S893 VanDerWaalsContact O-OG 3.07Å; K890-S893 PolarHBondContact O-N 3.11Å; S893-L896 PolarHBondContact O-N 3.08Å; S893-A897 WeakPolarHBondContact O-CB 3.43Å; S893-A897 PolarHBondContact O-N 2.92Å
894E96.6Very high92Very high82 Ų8245.8 Ų45.838%0.38323%0.225SC..Hα-helixtrans-66.4-40.2176.8-70.6173.6-163.300112.1H722 K890 M891 S898H722-E894 IonicContact CD2-OE2 3.21Å; H722-E894 IonicContact CE1-OE2 2.68Å; H722-E894 IonicContact NE2-OE2 2.7Å; H722-E894 PolarHBondContact NE2-OE2 3.18Å; K890-E894 WeakPolarHBondContact CE-OE1 3.26Å; K890-E894 WeakPolarHBondContact CG-OE1 3.4Å; K890-E894 WeakPolarHBondContact O-CG 3.24Å; K890-E894 PolarHBondContact O-N 3.44Å; M891-E894 PolarHBondContact O-N 3.06Å; E894-S898 PolarHBondContact O-N 3.21Å; E894-S898 VanDerWaalsContact O-N 3.08Å
895I96.9Very high90.4Very high2 Ų248.9 Ų48.91%0.0124%0.244CC..Hα-helixtrans-61-49.9172.9-70.8160.7000110.6V718 I721 H722 L725 L736 L746 M891 A892 A897 S898 V899V718-I895 HydrophobicContact CG1-CD1 4.02Å; I721-I895 HydrophobicContact CB-CD1 4.14Å; I721-I895 HydrophobicContact CG2-CD1 3.76Å; I721-I895 HydrophobicContact CG2-CG1 4.34Å; I721-I895 HydrophobicContact CG2-CG2 4.46Å; H722-I895 HydrophobicContact CB-CD1 3.92Å; H722-I895 HydrophobicContact CB-CG1 4.17Å; L725-I895 HydrophobicContact CD2-CB 4.47Å; L725-I895 HydrophobicContact CD2-CG1 4.35Å; L725-I895 HydrophobicContact CD2-CG2 3.79Å; L736-I895 HydrophobicContact CD2-CG2 3.46Å; L736-I895 VanDerWaalsContact CD2-CG2 3.46Å; L746-I895 HydrophobicContact CD1-CG2 3.81Å; L746-I895 HydrophobicContact CD2-CD1 4.31Å; M891-I895 WeakPolarHBondContact O-CD1 3.4Å; M891-I895 VanDerWaalsContact O-CG1 3.25Å; M891-I895 WeakPolarHBondContact O-CG1 3.46Å; M891-I895 PolarHBondContact O-N 3.35Å; A892-I895 PolarHBondContact O-N 3.23Å; I895-A897 VanDerWaalsContact C-N 3.34Å; I895-A897 PolarHBondContact O-N 2.7Å; I895-S898 VanDerWaalsContact O-CB 3.31Å; I895-S898 WeakPolarHBondContact O-CB 3.42Å; I895-S898 PolarHBondContact O-N 2.79Å; I895-S898 VanDerWaalsContact O-N 3.11Å; I895-V899 HydrophobicContact CG2-CG2 4.5Å; I895-V899 WeakPolarHBondContact O-CG2 3.09Å; I895-V899 PolarHBondContact O-N 3.38Å
896L96.2Very high88.6Confident15 Ų1551.8 Ų51.88%0.07926%0.259CS..Hα-helixtrans-64.2-39.1-179.1-70.5173.5000111.9L743 L746 R747 V750 A892 S893 S898 V899 D900L743-L896 HydrophobicContact CD1-CD2 3.63Å; L746-L896 HydrophobicContact CB-CD2 4.2Å; L746-L896 HydrophobicContact CB-CG 4.39Å; R747-L896 HydrophobicContact CG-CD1 4.02Å; R747-L896 HydrophobicContact CG-CD2 3.8Å; V750-L896 HydrophobicContact CB-CD1 4.27Å; V750-L896 HydrophobicContact CG2-CD1 3.83Å; A892-L896 WeakPolarHBondContact O-CB 3.4Å; A892-L896 VanDerWaalsContact O-CG 3.3Å; A892-L896 WeakPolarHBondContact O-CG 3.45Å; A892-L896 PolarHBondContact O-N 2.68Å; S893-L896 PolarHBondContact O-N 3.08Å; L896-S898 VanDerWaalsContact C-N 3.26Å; L896-S898 PolarHBondContact O-N 3.37Å; L896-V899 WeakPolarHBondContact O-CB 3.48Å; L896-V899 PolarHBondContact O-N 2.94Å; L896-D900 WeakPolarHBondContact O-CB 3.43Å; L896-D900 VanDerWaalsContact O-CG 3.3Å; L896-D900 PolarHBondContact O-N 3.44Å
897A94.5Very high86.5Confident42 Ų4252.8 Ų52.835%0.34727%0.269SS..Hα-helixtrans-60.7-37.3173.500000112.1S893 I895 R901S893-A897 WeakPolarHBondContact O-CB 3.43Å; S893-A897 PolarHBondContact O-N 2.92Å; I895-A897 VanDerWaalsContact C-N 3.34Å; I895-A897 PolarHBondContact O-N 2.7Å; A897-R901 VanDerWaalsContact O-CG 3.31Å; A897-R901 WeakPolarHBondContact O-CG 3.34Å; A897-R901 PolarHBondContact O-N 3.02Å
898S93Very high84.1Confident6 Ų654.1 Ų54.14%0.04228%0.282CS..Hα-helixtrans-66-42.2173.7174.30000112.4E729 V733 E894 I895 L896 R901 T902E729-S898 VanDerWaalsContact CG-OG 3.26Å; E729-S898 WeakPolarHBondContact CG-OG 3.49Å; E729-S898 VanDerWaalsContact OE1-CB 3.32Å; E729-S898 WeakPolarHBondContact OE1-CB 3.19Å; E729-S898 PolarHBondContact OE1-OG 2.77Å; V733-S898 WeakPolarHBondContact CG2-OG 3.2Å; E894-S898 PolarHBondContact O-N 3.21Å; E894-S898 VanDerWaalsContact O-N 3.08Å; I895-S898 VanDerWaalsContact O-CB 3.31Å; I895-S898 WeakPolarHBondContact O-CB 3.42Å; I895-S898 PolarHBondContact O-N 2.79Å; I895-S898 VanDerWaalsContact O-N 3.11Å; L896-S898 VanDerWaalsContact C-N 3.26Å; L896-S898 PolarHBondContact O-N 3.37Å; S898-R901 PolarHBondContact O-N 3.31Å; S898-T902 PolarHBondContact O-N 3.23Å; S898-T902 PolarHBondContact O-OG1 3.08Å
899V93Very high81.4Confident0 Ų057.3 Ų57.30%030%0.302CS..Hα-helixtrans-59.7-49.9173.5172.80000110.9V733 L736 L743 I895 L896 R901 T902 L903V733-V899 HydrophobicContact CG1-CB 4.47Å; V733-V899 HydrophobicContact CG1-CG2 4.17Å; L736-V899 HydrophobicContact CD2-CG2 3.91Å; L743-V899 HydrophobicContact CD1-CG1 4.43Å; L743-V899 HydrophobicContact CD1-CG2 4.4Å; I895-V899 HydrophobicContact CG2-CG2 4.5Å; I895-V899 WeakPolarHBondContact O-CG2 3.09Å; I895-V899 PolarHBondContact O-N 3.38Å; L896-V899 WeakPolarHBondContact O-CB 3.48Å; L896-V899 PolarHBondContact O-N 2.94Å; V899-R901 VanDerWaalsContact C-N 3.31Å; V899-R901 PolarHBondContact O-N 2.98Å; V899-T902 PolarHBondContact O-N 2.75Å; V899-T902 VanDerWaalsContact O-N 3.08Å; V899-L903 HydrophobicContact CG1-CD1 4.23Å; V899-L903 PolarHBondContact O-N 3.46Å
900D90.9Very high78.4Confident82 Ų8257 Ų5744%0.43931%0.31SS..Hα-helixtrans-65.2-32.4-177.6-68.3-23000112.4R747 L896 P904R747-D900 IonicContact NH2-OD1 3.47Å; L896-D900 WeakPolarHBondContact O-CB 3.43Å; L896-D900 VanDerWaalsContact O-CG 3.3Å; L896-D900 PolarHBondContact O-N 3.44Å; D900-P904 WeakPolarHBondContact O-CD 3.3Å
901R88.1Confident75.5Confident154 Ų15456.3 Ų56.358%0.58132%0.316SS*.Hα-helixtrans-67.9-34.2172.1-75.7-171.8-52.1-114.53.6113.1E729 A897 S898 V899E729-R901 IonicContact OE1-CZ 3.61Å; E729-R901 IonicContact OE1-NE 2.58Å; E729-R901 IonicContact OE1-NH2 3.7Å; E729-R901 PolarHBondContact OE1-NH2 3.14Å; E729-R901 IonicContact OE2-NH2 2.7Å; A897-R901 VanDerWaalsContact O-CG 3.31Å; A897-R901 WeakPolarHBondContact O-CG 3.34Å; A897-R901 PolarHBondContact O-N 3.02Å; S898-R901 PolarHBondContact O-N 3.31Å; V899-R901 VanDerWaalsContact C-N 3.31Å; V899-R901 PolarHBondContact O-N 2.98Å
902T82.9Confident72.3Confident10 Ų1063.8 Ų63.86%0.06135%0.351CS..Hα-helixtrans-91-29.5-172.3-47.50000112.3V733 S898 V899 P904 T905 L906V733-T902 HydrophobicContact CB-CG2 4.33Å; V733-T902 HydrophobicContact CG1-CG2 3.93Å; S898-T902 PolarHBondContact O-N 3.23Å; S898-T902 PolarHBondContact O-OG1 3.08Å; V899-T902 PolarHBondContact O-N 2.75Å; V899-T902 VanDerWaalsContact O-N 3.08Å; T902-P904 VanDerWaalsContact C-CD 3.46Å; T902-T905 PolarHBondContact O-N 3.23Å; T902-T905 PolarHBondContact O-OG1 3.21Å; T902-L906 HydrophobicContact CG2-CD1 4.27Å; T902-L906 HydrophobicContact CG2-CG 4.38Å; T902-L906 PolarHBondContact O-N 2.64Å; T902-L906 VanDerWaalsContact O-N 3.11Å
903L73.6Confident69Low71 Ų7169.1 Ų69.137%0.37238%0.379SS..Hα-helixtrans-51.9-43.9-179.6-14286.4000114.2V899 T905 L906 Q907V899-L903 HydrophobicContact CG1-CD1 4.23Å; V899-L903 PolarHBondContact O-N 3.46Å; L903-T905 VanDerWaalsContact C-N 3.32Å; L903-T905 PolarHBondContact O-N 3.25Å; L903-L906 PolarHBondContact O-N 2.98Å; L903-Q907 PolarHBondContact O-N 2.72Å
904P67.5Low65.7Low78 Ų7876.9 Ų76.951%0.50640%0.402SS..Hα-helixtrans-63.9-36.1176.8-21.333.3000112.6D900 T902 Q907 S908D900-P904 WeakPolarHBondContact O-CD 3.3Å; T902-P904 VanDerWaalsContact C-CD 3.46Å; P904-Q907 PolarHBondContact O-N 3.03Å; P904-S908 PolarHBondContact O-N 2.87Å
905T59.9Low62.6Low66 Ų6680.4 Ų80.441%0.40542%0.424SS..Hα-helixtrans-69.6-36.4179.164.50000111.8T902 L903 Q907 S908 T909T902-T905 PolarHBondContact O-N 3.23Å; T902-T905 PolarHBondContact O-OG1 3.21Å; L903-T905 VanDerWaalsContact C-N 3.32Å; L903-T905 PolarHBondContact O-N 3.25Å; T905-Q907 PolarHBondContact O-N 3.12Å; T905-S908 PolarHBondContact O-N 3.17Å; T905-S908 VanDerWaalsContact O-N 3.15Å; T905-S908 PolarHBondContact O-OG 3.33Å; T905-T909 PolarHBondContact O-N 2.88Å; T905-T909 PolarHBondContact O-OG1 2.8Å
906L56.6Low59.2Low60 Ų6086.5 Ų86.531%0.31446%0.456SS..Hα-helixtrans-63.7-40176.3-74165.2000112.4P734 T902 L903 S908 T909 S910P734-L906 HydrophobicContact CG-CD1 4.35Å; P734-L906 HydrophobicContact CG-CD2 4.09Å; T902-L906 HydrophobicContact CG2-CD1 4.27Å; T902-L906 HydrophobicContact CG2-CG 4.38Å; T902-L906 PolarHBondContact O-N 2.64Å; T902-L906 VanDerWaalsContact O-N 3.11Å; L903-L906 PolarHBondContact O-N 2.98Å; L906-S908 VanDerWaalsContact C-N 3.3Å; L906-S908 PolarHBondContact O-N 2.96Å; L906-T909 WeakPolarHBondContact CA-OG1 3.28Å; L906-T909 PolarHBondContact O-N 3.05Å; L906-T909 PolarHBondContact O-OG1 3.13Å; L906-S910 PolarHBondContact O-N 2.93Å; L906-S910 VanDerWaalsContact O-N 3.07Å
907Q51.8Low56.1Low137 Ų13792.9 Ų92.964%0.6449%0.49SS*.Hα-helixtrans-67.3-29.2174.9-68.4-179-4.800112.7L903 P904 T905 S910L903-Q907 PolarHBondContact O-N 2.72Å; P904-Q907 PolarHBondContact O-N 3.03Å; T905-Q907 PolarHBondContact O-N 3.12Å; Q907-S910 PolarHBondContact O-OG 2.82Å; Q907-S910 VanDerWaalsContact O-OG 3.14Å
908S44.2Very low52.9Low76 Ų76100.8 Ų100.853%0.53151%0.511SS..Hα-helixtrans-77.6-32.317574.20000113.4P904 T905 L906P904-S908 PolarHBondContact O-N 2.87Å; T905-S908 PolarHBondContact O-N 3.17Å; T905-S908 VanDerWaalsContact O-N 3.15Å; T905-S908 PolarHBondContact O-OG 3.33Å; L906-S908 VanDerWaalsContact C-N 3.3Å; L906-S908 PolarHBondContact O-N 2.96Å
909T39Very low50Low69 Ų69107.9 Ų107.942%0.42354%0.543SS..Hα-helixtrans-85.7-20.8-179.846.90000114.6T905 L906 V911 H912 N913T905-T909 PolarHBondContact O-N 2.88Å; T905-T909 PolarHBondContact O-OG1 2.8Å; L906-T909 WeakPolarHBondContact CA-OG1 3.28Å; L906-T909 PolarHBondContact O-N 3.05Å; L906-T909 PolarHBondContact O-OG1 3.13Å; T909-V911 PolarHBondContact O-N 2.87Å; T909-H912 PolarHBondContact O-N 3.47Å; T909-H912 VanDerWaalsContact O-N 3.09Å; T909-N913 PolarHBondContact O-N 3.02Å
910S34.7Very low46.8Very low62 Ų62113.9 Ų113.943%0.43458%0.584SS.*THydrogen-bonded Turntrans-65.8-20.2176.363.60000112.9L906 Q907 H912L906-S910 PolarHBondContact O-N 2.93Å; L906-S910 VanDerWaalsContact O-N 3.07Å; Q907-S910 PolarHBondContact O-OG 2.82Å; Q907-S910 VanDerWaalsContact O-OG 3.14Å; S910-H912 VanDerWaalsContact C-N 3.28Å; S910-H912 PolarHBondContact O-N 2.85Å
911V34.8Very low43.8Very low112 Ų112116.2 Ų116.268%0.67960%0.597SS**THydrogen-bonded Turntrans-72.8-18.9174.1-1750000112.5T909T909-V911 PolarHBondContact O-N 2.87Å
912H29.6Very low41.4Very low164 Ų164114.7 Ų114.776%0.75961%0.607SS**THydrogen-bonded Turntrans-116-12.5-177.1-81.4-40.9000116.6T909 S910T909-H912 PolarHBondContact O-N 3.47Å; T909-H912 VanDerWaalsContact O-N 3.09Å; S910-H912 VanDerWaalsContact C-N 3.28Å; S910-H912 PolarHBondContact O-N 2.85Å
913N27.3Very low38.9Very low112 Ų112118.6 Ų118.660%0.59963%0.634SS**  trans-106.111.1-175-84.5-19.9000116.9T909 N915T909-N913 PolarHBondContact O-N 3.02Å; N913-N915 PolarHBondContact O-N 3.27Å
914Y29.6Very low36.7Very low215 Ų215124.8 Ų124.884%0.84366%0.661SS**THydrogen-bonded Turntrans-65.53.4173.6-106-78.3000115.5
915N29.8Very low34.9Very low155 Ų155126.3 Ų126.383%0.82967%0.674SS**THydrogen-bonded Turntrans-109.97.4-178.5-88.3-16.6000116.3N913N913-N915 PolarHBondContact O-N 3.27Å
916N26.8Very low33.3Very low131 Ų131132.7 Ų132.770%0.70170%0.698SS**  trans-134.211.6-176.4-91.5-24.1000118.5R918N916-R918 PolarHBondContact O-N 3.25Å; N916-R918 VanDerWaalsContact O-N 3.16Å
917N29.6Very low32.5Very low148 Ų148139 Ų13979%0.79175%0.748SS**  trans-83.898171-81.6-1.7000111.7H919N917-H919 VanDerWaalsContact C-N 3.34Å; N917-H919 PolarHBondContact O-N 3.06Å
918R29.1Very low31.6Very low208 Ų208139.1 Ų139.179%0.78575%0.753SS**  trans-66.983.8168.3-68.7176174.6175.9-1.4110.2N916N916-R918 PolarHBondContact O-N 3.25Å; N916-R918 VanDerWaalsContact O-N 3.16Å
919H30.4Very low30.9Very low155 Ų155142.4 Ų142.472%0.71877%0.765SS**  trans-97.3107.3157.2-79.4-76.5000108.7N917N917-H919 VanDerWaalsContact C-N 3.34Å; N917-H919 PolarHBondContact O-N 3.06Å
920C26Very low30.5Very low126 Ų126146.5 Ų146.585%0.85178%0.784SS**  trans-97.183.6162.3-75.30000107.8
921D29.6Very low30.2Very low132 Ų132151.5 Ų151.571%0.70680%0.804SS**  trans-94117.3162-96.4-37.7000109.5S923D921-S923 PolarHBondContact O-N 3.4Å
922P37.4Very low29.9Very low122 Ų122153.9 Ų153.979%0.79281%0.812SS**  trans-95.165174.336.8-29.7000110
923S28.8Very low29.9Very low91 Ų91153.3 Ų153.364%0.63682%0.816SS**  trans-163.470.2170.658.40000112.5D921D921-S923 PolarHBondContact O-N 3.4Å
924E28Very low30.1Very low201 Ų201156.2 Ų156.294%0.93983%0.831SS**  trans-165.680.4157.2-111.2169.5-148.700110.1
925S29.1Very low30.2Very low110 Ų110151.7 Ų151.777%0.76983%0.83SS**  trans-148.965.7160.973.70000109.5
926H26.9Very low30.2Very low200 Ų200151.4 Ų151.493%0.92683%0.83SS**  trans-140.279.2165.4-84.1-55.2000109.4
927S40.8Very low30.5Very low193 Ų193153.3 Ų153.3100%1.3584%0.842SS**  trans-159.60149.565.10000108.5

Retrieved 927 of 927 residues in 1299.7 ms (Link to these results)

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