A0A077Z141_TRITR Loading...

Resistance to inhibitors of

AlphaFold DB , UniProt , Accession A0A077Z141, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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
1M56.8Low67.6Low205 Ų205120.1 Ų120.1100%1.0161%0.613SS**  0-45.30-64.5-138.6-77.600113.6E3M1-E3 PolarHBondContact O-N 3.01Å
2A61.6Low68.3Low87 Ų87120.6 Ų120.672%0.71961%0.607SS**Hα-helixtrans-65.4-34.2-179.700000114.6A6A2-A6 PolarHBondContact O-N 2.89Å
3E66.6Low68.7Low164 Ų164115.9 Ų115.977%0.76659%0.589SS**Hα-helixtrans-72.5-29.9-177.6-63-175.9163.100113.3M1 Q7M1-E3 PolarHBondContact O-N 3.01Å; E3-Q7 PolarHBondContact O-N 3.45Å
4E65.3Low69.5Low132 Ų132115.9 Ų115.962%0.61759%0.59SS**Hα-helixtrans-73.1-39.2179.4-65.1-178.9144.600111.6A6 Q7 I8E4-A6 VanDerWaalsContact C-N 3.31Å; E4-A6 PolarHBondContact O-N 3.49Å; E4-Q7 PolarHBondContact O-N 3.28Å; E4-I8 WeakPolarHBondContact O-CG1 3.31Å; E4-I8 PolarHBondContact O-N 3.33Å; E4-I8 VanDerWaalsContact O-N 3.07Å
5A63.3Low70Confident56 Ų56111.7 Ų111.746%0.46358%0.58SS.*Hα-helixtrans-60.6-41.1174.600000111.6Q7 I8 T9A5-Q7 PolarHBondContact O-N 3.03Å; A5-I8 PolarHBondContact O-N 3.21Å; A5-T9 PolarHBondContact O-N 3.46Å; A5-T9 PolarHBondContact O-OG1 3.18Å; A5-T9 VanDerWaalsContact O-OG1 3.13Å
6A65.3Low70.2Confident48 Ų48108.1 Ų108.140%0.39756%0.564SS.*Hα-helixtrans-64.6-38.6177.600000112.5A2 E4 R10A2-A6 PolarHBondContact O-N 2.89Å; E4-A6 VanDerWaalsContact C-N 3.31Å; E4-A6 PolarHBondContact O-N 3.49Å; A6-R10 WeakPolarHBondContact O-CB 3.48Å; A6-R10 VanDerWaalsContact O-CG 3.31Å; A6-R10 WeakPolarHBondContact O-CG 3.49Å; A6-R10 PolarHBondContact O-N 3.09Å
7Q68.6Low70.5Confident110 Ų110110.1 Ų110.151%0.51457%0.568SS.*Hα-helixtrans-67-39.3175.5-73.6-160.225.800112.5E3 E4 A5 R10 R11E3-Q7 PolarHBondContact O-N 3.45Å; E4-Q7 PolarHBondContact O-N 3.28Å; A5-Q7 PolarHBondContact O-N 3.03Å; Q7-R10 PolarHBondContact O-N 3.29Å; Q7-R11 WeakPolarHBondContact O-CG 3.4Å; Q7-R11 PolarHBondContact O-N 3.18Å
8I70.3Confident71Confident91 Ų91110.2 Ų110.247%0.46757%0.569SS.*Hα-helixtrans-64.3-43.8178.3-66.7163.7000110.4E4 A5 R10 R11 K12E4-I8 WeakPolarHBondContact O-CG1 3.31Å; E4-I8 PolarHBondContact O-N 3.33Å; E4-I8 VanDerWaalsContact O-N 3.07Å; A5-I8 PolarHBondContact O-N 3.21Å; I8-R10 PolarHBondContact O-N 3.43Å; I8-R11 PolarHBondContact O-N 3.14Å; I8-K12 HydrophobicContact CG2-CD 4.12Å; I8-K12 WeakPolarHBondContact O-CG 3.5Å; I8-K12 PolarHBondContact O-N 3.23Å
9T75.4Confident71.3Confident74 Ų74109.7 Ų109.745%0.45457%0.571SS.*Hα-helixtrans-63.3-41.8176.1-53.90000111.3A5 R11 K12 T13A5-T9 PolarHBondContact O-N 3.46Å; A5-T9 PolarHBondContact O-OG1 3.18Å; A5-T9 VanDerWaalsContact O-OG1 3.13Å; T9-R11 PolarHBondContact O-N 3.22Å; T9-K12 PolarHBondContact O-N 2.8Å; T9-T13 HydrophobicContact CG2-CG2 4.47Å; T9-T13 WeakPolarHBondContact O-CG2 3.4Å; T9-T13 PolarHBondContact O-N 3.4Å; T9-T13 PolarHBondContact O-OG1 3.44Å
10R74.6Confident71.6Confident182 Ų182108.3 Ų108.369%0.68757%0.567SS**Hα-helixtrans-62-39.3174.7-75178.2-175.8-163.22.7113.3A6 Q7 I8 T13 L14A6-R10 WeakPolarHBondContact O-CB 3.48Å; A6-R10 VanDerWaalsContact O-CG 3.31Å; A6-R10 WeakPolarHBondContact O-CG 3.49Å; A6-R10 PolarHBondContact O-N 3.09Å; Q7-R10 PolarHBondContact O-N 3.29Å; I8-R10 PolarHBondContact O-N 3.43Å; R10-T13 WeakPolarHBondContact CA-OG1 3.41Å; R10-T13 PolarHBondContact O-OG1 3.12Å; R10-L14 WeakPolarHBondContact O-CB 3.43Å; R10-L14 VanDerWaalsContact O-CG 3.24Å; R10-L14 WeakPolarHBondContact O-CG 3.38Å; R10-L14 PolarHBondContact O-N 3.23Å
11R75.6Confident71.8Confident172 Ų172105.9 Ų105.965%0.64956%0.557SS**Hα-helixtrans-68.3-38.7176.4-70.3177.8-168.7-1726.6111.6Q7 I8 T9 A15Q7-R11 WeakPolarHBondContact O-CG 3.4Å; Q7-R11 PolarHBondContact O-N 3.18Å; I8-R11 PolarHBondContact O-N 3.14Å; T9-R11 PolarHBondContact O-N 3.22Å; R11-A15 WeakPolarHBondContact O-CB 3.36Å; R11-A15 PolarHBondContact O-N 2.85Å
12K75.8Confident72.5Confident126 Ų12699.7 Ų99.755%0.54853%0.53SS..Hα-helixtrans-65.7-43.8175.3-71.8172.8178.2176.10112I8 T9 A15 V16I8-K12 HydrophobicContact CG2-CD 4.12Å; I8-K12 WeakPolarHBondContact O-CG 3.5Å; I8-K12 PolarHBondContact O-N 3.23Å; T9-K12 PolarHBondContact O-N 2.8Å; K12-A15 PolarHBondContact O-N 2.95Å; K12-V16 PolarHBondContact O-N 3.3Å
13T74.4Confident72.8Confident60 Ų6098.1 Ų98.137%0.36852%0.515SS..Hα-helixtrans-65.1-41.4176.755.80000111.4T9 R10 A15 V16 F17 W122T9-T13 HydrophobicContact CG2-CG2 4.47Å; T9-T13 WeakPolarHBondContact O-CG2 3.4Å; T9-T13 PolarHBondContact O-N 3.4Å; T9-T13 PolarHBondContact O-OG1 3.44Å; R10-T13 WeakPolarHBondContact CA-OG1 3.41Å; R10-T13 PolarHBondContact O-OG1 3.12Å; T13-A15 PolarHBondContact O-N 2.93Å; T13-V16 PolarHBondContact O-N 3.38Å; T13-F17 WeakPolarHBondContact O-CB 3.1Å; T13-F17 PolarHBondContact O-N 2.86Å; T13-W122 HydrophobicContact CG2-CH2 4.23Å; T13-W122 HydrophobicContact CG2-CZ3 3.9Å
14L79.2Confident72.9Confident115 Ų11592.4 Ų92.460%0.60250%0.495SS*.Hα-helixtrans-61.9-41.1173.1-75.1171.8000112.1R10 V16 F17 L18R10-L14 WeakPolarHBondContact O-CB 3.43Å; R10-L14 VanDerWaalsContact O-CG 3.24Å; R10-L14 WeakPolarHBondContact O-CG 3.38Å; R10-L14 PolarHBondContact O-N 3.23Å; L14-V16 PolarHBondContact O-N 3.47Å; L14-F17 PolarHBondContact O-N 3.44Å; L14-L18 VanDerWaalsContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CB 3.3Å; L14-L18 PolarHBondContact O-N 3.38Å
15A77.7Confident73.1Confident54 Ų5490.5 Ų90.545%0.44649%0.493SS..Hα-helixtrans-62-43.317600000111.7R11 K12 T13 L18 V19R11-A15 WeakPolarHBondContact O-CB 3.36Å; R11-A15 PolarHBondContact O-N 2.85Å; K12-A15 PolarHBondContact O-N 2.95Å; T13-A15 PolarHBondContact O-N 2.93Å; A15-L18 PolarHBondContact O-N 2.91Å; A15-V19 VanDerWaalsContact O-CG2 3.3Å; A15-V19 WeakPolarHBondContact O-CG2 3.33Å; A15-V19 PolarHBondContact O-N 3.47Å
16V73.6Confident73.1Confident53 Ų5391.7 Ų91.732%0.32149%0.494SS..Hα-helixtrans-65.1-43.6174.3171.70000111.5K12 T13 L14 L18 V19 V20 W122K12-V16 PolarHBondContact O-N 3.3Å; T13-V16 PolarHBondContact O-N 3.38Å; L14-V16 PolarHBondContact O-N 3.47Å; V16-L18 VanDerWaalsContact C-N 3.27Å; V16-L18 PolarHBondContact O-N 2.96Å; V16-V19 PolarHBondContact O-N 3.2Å; V16-V20 HydrophobicContact CG1-CG2 4.13Å; V16-V20 WeakPolarHBondContact O-CB 3.36Å; V16-V20 VanDerWaalsContact O-CG2 3.26Å; V16-V20 WeakPolarHBondContact O-CG2 3.23Å; V16-V20 PolarHBondContact O-N 3.22Å; V16-W122 HydrophobicContact CB-CH2 4.23Å; V16-W122 HydrophobicContact CB-CZ2 4.18Å; V16-W122 HydrophobicContact CG2-CH2 3.69Å; V16-W122 HydrophobicContact CG2-CZ2 3.24Å
17F75.2Confident73Confident143 Ų14391.5 Ų91.563%0.62749%0.488SS*.Hα-helixtrans-60.8-39.1176.9-161.9-93.5000111.4T13 L14 V20 T21T13-F17 WeakPolarHBondContact O-CB 3.1Å; T13-F17 PolarHBondContact O-N 2.86Å; L14-F17 PolarHBondContact O-N 3.44Å; F17-V20 PolarHBondContact O-N 2.89Å; F17-T21 WeakPolarHBondContact O-CB 3.32Å; F17-T21 PolarHBondContact O-N 3.46Å; F17-T21 PolarHBondContact O-OG1 2.88Å
18L79.4Confident72.6Confident111 Ų11192.7 Ų92.758%0.58149%0.488SS*.Hα-helixtrans-65-47175-157171.6000110.6L14 A15 V16 V20 T21 V22L14-L18 VanDerWaalsContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CB 3.3Å; L14-L18 PolarHBondContact O-N 3.38Å; A15-L18 PolarHBondContact O-N 2.91Å; V16-L18 VanDerWaalsContact C-N 3.27Å; V16-L18 PolarHBondContact O-N 2.96Å; L18-V20 PolarHBondContact O-N 3.43Å; L18-T21 PolarHBondContact O-N 2.85Å; L18-V22 HydrophobicContact CD2-CG2 3.55Å; L18-V22 WeakPolarHBondContact O-CB 3.44Å; L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 2.83Å
19V76.7Confident72.2Confident101 Ų10191.3 Ų91.361%0.61249%0.485SS*.Hα-helixtrans-61.6-43.6176.6171.60000111.5A15 V16 S23A15-V19 VanDerWaalsContact O-CG2 3.3Å; A15-V19 WeakPolarHBondContact O-CG2 3.33Å; A15-V19 PolarHBondContact O-N 3.47Å; V16-V19 PolarHBondContact O-N 3.2Å; V19-S23 WeakPolarHBondContact O-CB 3.47Å; V19-S23 PolarHBondContact O-N 3.29Å
20V76.3Confident71.4Confident82 Ų8295.5 Ų95.550%0.49750%0.497SS..Hα-helixtrans-64.8-42.6176.1172.10000110.7V16 F17 L18 S23 A24V16-V20 HydrophobicContact CG1-CG2 4.13Å; V16-V20 WeakPolarHBondContact O-CB 3.36Å; V16-V20 VanDerWaalsContact O-CG2 3.26Å; V16-V20 WeakPolarHBondContact O-CG2 3.23Å; V16-V20 PolarHBondContact O-N 3.22Å; F17-V20 PolarHBondContact O-N 2.89Å; L18-V20 PolarHBondContact O-N 3.43Å; V20-S23 PolarHBondContact O-N 2.85Å; V20-A24 VanDerWaalsContact O-CB 3.3Å; V20-A24 WeakPolarHBondContact O-CB 3.27Å; V20-A24 PolarHBondContact O-N 3.46Å
21T75.2Confident70.4Confident57 Ų5791.2 Ų91.235%0.3548%0.484SS..Hα-helixtrans-69.6-42.2179.9-56.10000111.4F17 L18 A24 V25F17-T21 WeakPolarHBondContact O-CB 3.32Å; F17-T21 PolarHBondContact O-N 3.46Å; F17-T21 PolarHBondContact O-OG1 2.88Å; L18-T21 PolarHBondContact O-N 2.85Å; T21-A24 CarbonylContact O-C 3.54Å; T21-A24 WeakPolarHBondContact O-CB 3.35Å; T21-A24 PolarHBondContact O-N 3.46Å; T21-V25 HydrophobicContact CG2-CG2 4.24Å; T21-V25 WeakPolarHBondContact O-CB 3.34Å; T21-V25 WeakPolarHBondContact O-CG2 3.43Å; T21-V25 PolarHBondContact O-N 3.42Å
22V72.3Confident69.5Low75 Ų7585.1 Ų85.146%0.45546%0.464SS..Hα-helixtrans-67-40.5175168.90000110.5L18 A24 V25 V26L18-V22 HydrophobicContact CD2-CG2 3.55Å; L18-V22 WeakPolarHBondContact O-CB 3.44Å; L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 2.83Å; V22-A24 VanDerWaalsContact C-N 3.32Å; V22-A24 PolarHBondContact O-N 2.92Å; V22-V25 CarbonylContact O-C 3.57Å; V22-V25 PolarHBondContact O-N 3.45Å; V22-V26 HydrophobicContact CG1-CG2 4.11Å; V22-V26 WeakPolarHBondContact O-CB 3.29Å; V22-V26 VanDerWaalsContact O-CG2 3.22Å; V22-V26 WeakPolarHBondContact O-CG2 3.37Å; V22-V26 PolarHBondContact O-N 2.75Å
23S68.5Low68.5Low55 Ų5584.8 Ų84.839%0.38546%0.464SS..Hα-helixtrans-58.4-47.5170.4-1790000110.2V19 V20 V25 V26 V27V19-S23 WeakPolarHBondContact O-CB 3.47Å; V19-S23 PolarHBondContact O-N 3.29Å; V20-S23 PolarHBondContact O-N 2.85Å; S23-V25 PolarHBondContact O-N 2.83Å; S23-V26 PolarHBondContact O-N 3.29Å; S23-V27 WeakPolarHBondContact O-CB 3.43Å; S23-V27 WeakPolarHBondContact O-CG2 3.3Å; S23-V27 PolarHBondContact O-N 3.22Å
24A67.8Low67.6Low44 Ų4486 Ų8636%0.36447%0.472SS..Hα-helixtrans-61.4-41.8176.800000111.7V20 T21 V22 Y28V20-A24 VanDerWaalsContact O-CB 3.3Å; V20-A24 WeakPolarHBondContact O-CB 3.27Å; V20-A24 PolarHBondContact O-N 3.46Å; T21-A24 CarbonylContact O-C 3.54Å; T21-A24 WeakPolarHBondContact O-CB 3.35Å; T21-A24 PolarHBondContact O-N 3.46Å; V22-A24 VanDerWaalsContact C-N 3.32Å; V22-A24 PolarHBondContact O-N 2.92Å; A24-Y28 WeakPolarHBondContact O-CA 3.36Å; A24-Y28 WeakPolarHBondContact O-CB 3.43Å; A24-Y28 PolarHBondContact O-N 3.36Å
25V69.7Low66.4Low92 Ų9286.8 Ų86.856%0.55847%0.471SS*.Hα-helixtrans-79.1-15.8-179.8172.90000113.2T21 V22 S23 P29T21-V25 HydrophobicContact CG2-CG2 4.24Å; T21-V25 WeakPolarHBondContact O-CB 3.34Å; T21-V25 WeakPolarHBondContact O-CG2 3.43Å; T21-V25 PolarHBondContact O-N 3.42Å; V22-V25 CarbonylContact O-C 3.57Å; V22-V25 PolarHBondContact O-N 3.45Å; S23-V25 PolarHBondContact O-N 2.83Å; V25-P29 WeakPolarHBondContact O-CD 3.31Å; V25-P29 WeakPolarHBondContact O-CG 3.32Å
26V63.8Low65.3Low81 Ų8187.2 Ų87.249%0.49147%0.465SS..Hα-helixtrans-92.5-32.2171.11730000110.4V22 S23V22-V26 HydrophobicContact CG1-CG2 4.11Å; V22-V26 WeakPolarHBondContact O-CB 3.29Å; V22-V26 VanDerWaalsContact O-CG2 3.22Å; V22-V26 WeakPolarHBondContact O-CG2 3.37Å; V22-V26 PolarHBondContact O-N 2.75Å; S23-V26 PolarHBondContact O-N 3.29Å
27V63.4Low64.3Low44 Ų4489.4 Ų89.427%0.26747%0.471SS..Hα-helixtrans-80.5-37.2175.9176.60000111.2S23 K30 F31 I111S23-V27 WeakPolarHBondContact O-CB 3.43Å; S23-V27 WeakPolarHBondContact O-CG2 3.3Å; S23-V27 PolarHBondContact O-N 3.22Å; V27-K30 PolarHBondContact O-N 2.91Å; V27-K30 VanDerWaalsContact O-N 3.16Å; V27-F31 HydrophobicContact CB-CD2 4.46Å; V27-F31 HydrophobicContact CG1-CD2 3.6Å; V27-F31 HydrophobicContact CG1-CE2 4.2Å; V27-F31 HydrophobicContact CG1-CG 4.32Å; V27-F31 WeakPolarHBondContact O-CB 3.45Å; V27-F31 WeakPolarHBondContact O-CD2 3.17Å; V27-F31 PolarHBondContact O-N 2.82Å; V27-I111 HydrophobicContact CG1-CD1 4.44Å
28Y59.1Low63.2Low134 Ų13487.5 Ų87.553%0.52548%0.475SS..Hα-helixtrans-57.4-51177.3-122-108.6000110.6A24 K30 F31 I32 L36A24-Y28 WeakPolarHBondContact O-CA 3.36Å; A24-Y28 WeakPolarHBondContact O-CB 3.43Å; A24-Y28 PolarHBondContact O-N 3.36Å; Y28-K30 PolarHBondContact O-N 3.49Å; Y28-F31 PolarHBondContact O-N 3.39Å; Y28-I32 HydrophobicContact CD1-CB 4.13Å; Y28-I32 HydrophobicContact CD1-CD1 3.94Å; Y28-I32 HydrophobicContact CD1-CG2 3.63Å; Y28-I32 HydrophobicContact CD2-CD1 3.41Å; Y28-I32 VanDerWaalsContact CD2-CD1 3.41Å; Y28-I32 HydrophobicContact CE1-CB 4.43Å; Y28-I32 HydrophobicContact CE1-CD1 3.91Å; Y28-I32 HydrophobicContact CE1-CG2 3.66Å; Y28-I32 HydrophobicContact CE2-CD1 3.35Å; Y28-I32 HydrophobicContact CG-CB 4.37Å; Y28-I32 HydrophobicContact CG-CD1 3.69Å; Y28-I32 HydrophobicContact CG-CG2 4.34Å; Y28-I32 WeakPolarHBondContact O-CA 3.38Å; Y28-I32 WeakPolarHBondContact O-CB 3.36Å; Y28-I32 PolarHBondContact O-N 3.15Å; Y28-L36 HydrophobicContact CE1-CD1 4.2Å
29P63.5Low62.1Low62 Ų6286 Ų8640%0.40348%0.479SS..Hα-helixtrans-67.7-27.4-179.3-21.733.6000112.7V25 H33V25-P29 WeakPolarHBondContact O-CD 3.31Å; V25-P29 WeakPolarHBondContact O-CG 3.32Å; P29-H33 WeakPolarHBondContact O-CB 3.31Å
30K56.7Low61Low162 Ų16286.2 Ų86.270%0.70448%0.476SS*.Hα-helixtrans-86-24.2-179.4-78.1-169.4166.4167.30114.8V27 Y28V27-K30 PolarHBondContact O-N 2.91Å; V27-K30 VanDerWaalsContact O-N 3.16Å; Y28-K30 PolarHBondContact O-N 3.49Å
31F55.3Low59.6Low93 Ų9385.5 Ų85.541%0.40849%0.485SS..Hα-helixtrans-115.8-16.3-176.4-73.8-87.8000114V27 Y28V27-F31 HydrophobicContact CB-CD2 4.46Å; V27-F31 HydrophobicContact CG1-CD2 3.6Å; V27-F31 HydrophobicContact CG1-CE2 4.2Å; V27-F31 HydrophobicContact CG1-CG 4.32Å; V27-F31 WeakPolarHBondContact O-CB 3.45Å; V27-F31 WeakPolarHBondContact O-CD2 3.17Å; V27-F31 PolarHBondContact O-N 2.82Å; Y28-F31 PolarHBondContact O-N 3.39Å
32I56.8Low58.3Low44 Ų4489.6 Ų89.623%0.22650%0.504CS..THydrogen-bonded Turntrans-116.6-18-168.8-78.2163.7000113.1Y28 K35 L36 F37Y28-I32 HydrophobicContact CD1-CB 4.13Å; Y28-I32 HydrophobicContact CD1-CD1 3.94Å; Y28-I32 HydrophobicContact CD1-CG2 3.63Å; Y28-I32 HydrophobicContact CD2-CD1 3.41Å; Y28-I32 VanDerWaalsContact CD2-CD1 3.41Å; Y28-I32 HydrophobicContact CE1-CB 4.43Å; Y28-I32 HydrophobicContact CE1-CD1 3.91Å; Y28-I32 HydrophobicContact CE1-CG2 3.66Å; Y28-I32 HydrophobicContact CE2-CD1 3.35Å; Y28-I32 HydrophobicContact CG-CB 4.37Å; Y28-I32 HydrophobicContact CG-CD1 3.69Å; Y28-I32 HydrophobicContact CG-CG2 4.34Å; Y28-I32 WeakPolarHBondContact O-CA 3.38Å; Y28-I32 WeakPolarHBondContact O-CB 3.36Å; Y28-I32 PolarHBondContact O-N 3.15Å; I32-K35 PolarHBondContact O-N 3.37Å; I32-L36 HydrophobicContact CB-CD1 4.05Å; I32-L36 HydrophobicContact CB-CG 4.19Å; I32-L36 HydrophobicContact CD1-CD1 3.97Å; I32-L36 HydrophobicContact CG1-CD1 3.85Å; I32-L36 HydrophobicContact CG1-CG 4.02Å; I32-L36 HydrophobicContact CG2-CB 3.67Å; I32-L36 HydrophobicContact CG2-CD1 3.15Å; I32-L36 HydrophobicContact CG2-CG 3.49Å; I32-L36 VanDerWaalsContact CG2-CG 3.49Å; I32-L36 PolarHBondContact O-N 2.85Å; I32-F37 PolarHBondContact O-N 3.43Å
33H53.2Low57Low119 Ų11992.2 Ų92.255%0.55151%0.51SS*.THydrogen-bonded Turntrans-68.5-16.1172.8-101.1-67.7000116.6P29 F37P29-H33 WeakPolarHBondContact O-CB 3.31Å; H33-F37 AromaticContact CE1-CE2 3.9Å; H33-F37 AromaticContact ND1-CD2 3.74Å; H33-F37 AromaticContact ND1-CE2 3.73Å; H33-F37 WeakPolarHBondContact O-CB 3.33Å
34P55.8Low55.6Low84 Ų84100.5 Ų100.555%0.54553%0.532SS..THydrogen-bonded Turntrans-106.3-20.5164.84.914.1000113.6S38P34-S38 WeakPolarHBondContact O-CB 3.37Å; P34-S38 PolarHBondContact O-OG 3.37Å
35K55.1Low54.4Low132 Ų132106.1 Ų106.157%0.57455%0.551SS**THydrogen-bonded Turntrans-104.8-35.8-171.4-71.4-153.1174.9-176.50115.8I32 A39I32-K35 PolarHBondContact O-N 3.37Å; K35-A39 VanDerWaalsContact O-CB 3.27Å; K35-A39 WeakPolarHBondContact O-CB 3.24Å; K35-A39 PolarHBondContact O-N 2.83Å; K35-A39 VanDerWaalsContact O-N 3.1Å
36L53.4Low53.1Low63 Ų63107.9 Ų107.933%0.3355%0.551SS.*Hα-helixtrans-82.5-24.5165-60.6175.9000111.2Y28 I32 S38 A39 L40Y28-L36 HydrophobicContact CE1-CD1 4.2Å; I32-L36 HydrophobicContact CB-CD1 4.05Å; I32-L36 HydrophobicContact CB-CG 4.19Å; I32-L36 HydrophobicContact CD1-CD1 3.97Å; I32-L36 HydrophobicContact CG1-CD1 3.85Å; I32-L36 HydrophobicContact CG1-CG 4.02Å; I32-L36 HydrophobicContact CG2-CB 3.67Å; I32-L36 HydrophobicContact CG2-CD1 3.15Å; I32-L36 HydrophobicContact CG2-CG 3.49Å; I32-L36 VanDerWaalsContact CG2-CG 3.49Å; I32-L36 PolarHBondContact O-N 2.85Å; L36-S38 PolarHBondContact O-N 3.39Å; L36-A39 PolarHBondContact O-N 2.85Å; L36-L40 HydrophobicContact CB-CD1 4.22Å; L36-L40 VanDerWaalsContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CB 3.22Å; L36-L40 PolarHBondContact O-N 2.88Å
37F52.5Low52.3Low99 Ų99110.3 Ų110.343%0.43457%0.569SS.*Hα-helixtrans-68.3-21.1170.1-117.7-92.9000113.3I32 H33 F43I32-F37 PolarHBondContact O-N 3.43Å; H33-F37 AromaticContact CE1-CE2 3.9Å; H33-F37 AromaticContact ND1-CD2 3.74Å; H33-F37 AromaticContact ND1-CE2 3.73Å; H33-F37 WeakPolarHBondContact O-CB 3.33Å; F37-F43 HydrophobicContact CD1-CB 4.21Å; F37-F43 HydrophobicContact CD1-CD2 4.06Å; F37-F43 HydrophobicContact CD1-CG 4.46Å; F37-F43 HydrophobicContact CE1-CB 3.86Å; F37-F43 AromaticContact CE1-CD2 3.22Å; F37-F43 HydrophobicContact CE1-CD2 3.22Å; F37-F43 AromaticContact CE1-CE2 3.89Å; F37-F43 HydrophobicContact CE1-CE2 3.89Å; F37-F43 AromaticContact CE1-CG 3.67Å; F37-F43 HydrophobicContact CE1-CG 3.67Å; F37-F43 AromaticContact CZ-CD2 3.59Å; F37-F43 HydrophobicContact CZ-CD2 3.59Å; F37-F43 AromaticContact CZ-CE2 3.76Å; F37-F43 HydrophobicContact CZ-CE2 3.76Å; F37-F43 HydrophobicContact CZ-CG 4.37Å
38S53Low51.1Low104 Ų104114.1 Ų114.173%0.72758%0.584SS**Hα-helixtrans-94.7-25.1169-83.70000114.3P34 L36P34-S38 WeakPolarHBondContact O-CB 3.37Å; P34-S38 PolarHBondContact O-OG 3.37Å; L36-S38 PolarHBondContact O-N 3.39Å
39A57Low50.3Low78 Ų78113.6 Ų113.665%0.64560%0.595SS**Hα-helixtrans-90-28.4-179.900000113.4K35 L36K35-A39 VanDerWaalsContact O-CB 3.27Å; K35-A39 WeakPolarHBondContact O-CB 3.24Å; K35-A39 PolarHBondContact O-N 2.83Å; K35-A39 VanDerWaalsContact O-N 3.1Å; L36-A39 PolarHBondContact O-N 2.85Å
40L52.5Low49.4Very low107 Ų107119.8 Ų119.856%0.5662%0.618SS**SBendtrans-94.688.8164.7-64.2160.5000106.3L36 L42L36-L40 HydrophobicContact CB-CD1 4.22Å; L36-L40 VanDerWaalsContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CB 3.22Å; L36-L40 PolarHBondContact O-N 2.88Å; L40-L42 PolarHBondContact O-N 3.44Å
41G47.7Very low48.7Very low67 Ų67121.2 Ų121.269%0.69163%0.625SS**THydrogen-bonded Turntrans-64.542.8-177.100000115.9
42L47.8Very low47.9Very low143 Ų143124.4 Ų124.475%0.74965%0.646SS**THydrogen-bonded Turntrans-97.2-6.8-175.8-84.6152.5000113.9L40L40-L42 PolarHBondContact O-N 3.44Å
43F45.1Very low47.3Very low129 Ų129129.2 Ų129.257%0.56667%0.672SS**  trans-119.462.6165-72.5-82.6000110.9F37 Q45F37-F43 HydrophobicContact CD1-CB 4.21Å; F37-F43 HydrophobicContact CD1-CD2 4.06Å; F37-F43 HydrophobicContact CD1-CG 4.46Å; F37-F43 HydrophobicContact CE1-CB 3.86Å; F37-F43 AromaticContact CE1-CD2 3.22Å; F37-F43 HydrophobicContact CE1-CD2 3.22Å; F37-F43 AromaticContact CE1-CE2 3.89Å; F37-F43 HydrophobicContact CE1-CE2 3.89Å; F37-F43 AromaticContact CE1-CG 3.67Å; F37-F43 HydrophobicContact CE1-CG 3.67Å; F37-F43 AromaticContact CZ-CD2 3.59Å; F37-F43 HydrophobicContact CZ-CD2 3.59Å; F37-F43 AromaticContact CZ-CE2 3.76Å; F37-F43 HydrophobicContact CZ-CE2 3.76Å; F37-F43 HydrophobicContact CZ-CG 4.37Å; F43-Q45 PolarHBondContact O-N 2.8Å
44R38.7Very low46.9Very low229 Ų229128.6 Ų128.686%0.86468%0.677SS**  trans-66.760150-167.1-176-173.7179.52108.5K46R44-K46 PolarHBondContact O-N 3.47Å
45Q43.3Very low46.1Very low163 Ų163134.5 Ų134.576%0.76269%0.688SS**  trans-80.885.1163.9-96.4-171.9-26.700107.2F43F43-Q45 PolarHBondContact O-N 2.8Å
46K41.6Very low45.4Very low128 Ų128135.2 Ų135.256%0.55770%0.698SS**  trans-39.2122.2157.4-144.3172174.8-156.80108.2R44 E48R44-K46 PolarHBondContact O-N 3.47Å; K46-E48 HydrophobicContact CB-CG 3.87Å; K46-E48 HydrophobicContact CD-CG 3.43Å; K46-E48 VanDerWaalsContact CD-CG 3.43Å; K46-E48 WeakPolarHBondContact CD-OE2 3.31Å; K46-E48 WeakPolarHBondContact CE-OE1 3.27Å; K46-E48 WeakPolarHBondContact CE-OE2 3.27Å; K46-E48 HydrophobicContact CG-CG 3.4Å; K46-E48 IonicContact NZ-OE1 2.8Å; K46-E48 PolarHBondContact NZ-OE1 2.82Å; K46-E48 IonicContact NZ-OE2 2.61Å; K46-E48 PolarHBondContact NZ-OE2 3.22Å; K46-E48 PolarHBondContact O-N 3.17Å
47P46.5Very low44.7Very low133 Ų133135.7 Ų135.786%0.86472%0.718SS**  trans-73.281161.229.8-27.7000106.4
48E38.9Very low44.2Very low124 Ų124141.3 Ų141.358%0.57974%0.736SS**  trans-100.6107.4163.3-56.9-152.712600107.5K46K46-E48 HydrophobicContact CB-CG 3.87Å; K46-E48 HydrophobicContact CD-CG 3.43Å; K46-E48 VanDerWaalsContact CD-CG 3.43Å; K46-E48 WeakPolarHBondContact CD-OE2 3.31Å; K46-E48 WeakPolarHBondContact CE-OE1 3.27Å; K46-E48 WeakPolarHBondContact CE-OE2 3.27Å; K46-E48 HydrophobicContact CG-CG 3.4Å; K46-E48 IonicContact NZ-OE1 2.8Å; K46-E48 PolarHBondContact NZ-OE1 2.82Å; K46-E48 IonicContact NZ-OE2 2.61Å; K46-E48 PolarHBondContact NZ-OE2 3.22Å; K46-E48 PolarHBondContact O-N 3.17Å
49T41.6Very low43.8Very low123 Ų123143.9 Ų143.976%0.75574%0.737SS**  trans-167.357.1151.89.80000107F51T49-F51 PolarHBondContact O-N 3.28Å
50E44.6Very low42.9Very low192 Ų192149 Ų14990%0.89775%0.748SS**  trans-76.3112.4154.9-167.1170.2-168.800105.3D52E50-D52 PolarHBondContact O-N 2.93Å; E50-D52 VanDerWaalsContact O-N 3.1Å
51F42.7Very low42.4Very low191 Ų191149.1 Ų149.184%0.83876%0.755SS**  trans-62.4109178.1-83-99.4000108.9T49 D53T49-F51 PolarHBondContact O-N 3.28Å; F51-D53 PolarHBondContact O-N 3.49Å
52D38.2Very low42Very low161 Ų161156.6 Ų156.686%0.86176%0.762SS**  trans-72.9103.7168.7-152.5-8.1000107.4E50E50-D52 PolarHBondContact O-N 2.93Å; E50-D52 VanDerWaalsContact O-N 3.1Å
53D44.7Very low41.7Very low144 Ų144156.8 Ų156.877%0.7776%0.763SS**  trans-136.5109165-129.8-5000109.6F51F51-D53 PolarHBondContact O-N 3.49Å
54V44.1Very low41.7Very low107 Ų107159 Ų15965%0.64878%0.775SS**  trans80.591.8144.6-171.80000116.7
55R38.5Very low41.8Very low208 Ų208156.6 Ų156.679%0.78577%0.774SS**  87.9117.4111.5-167.7173.4-175.6172.32.2118.1
56N40.3Very low41.7Very low147 Ų147154.8 Ų154.879%0.78677%0.774SS**  trans80.1115.3145.7-69.6-7.5000118.7
57G38.8Very low41.5Very low72 Ų72156.7 Ų156.774%0.74278%0.784SS**  134.676.6128.500000116.8
58R41.7Very low41.3Very low217 Ų217160.8 Ų160.882%0.81978%0.783SS**  trans58.8119.3131.6-75.1-171.9177.9-1630.4119.7
59Q45.1Very low41.6Very low158 Ų158160.1 Ų160.174%0.73879%0.789SS**  90.497.9128.7-67.2172.6-7.500118.5
60Q38.8Very low41.3Very low186 Ų186162.5 Ų162.587%0.86979%0.785SS**  -68.8145.5129.8-82.9-165.7-12.400108.5
61P42.7Very low41.3Very low110 Ų110160.7 Ų160.771%0.71478%0.782SS**  -153.6151.582.635.3-13.7000117.6
62R38Very low41.3Very low223 Ų223157.8 Ų157.884%0.84277%0.771SS**  trans28.4132.4138.7-67.7-175.5174.2160.3-1.3121
63L42.5Very low41.7Very low147 Ų147157.3 Ų157.377%0.7777%0.774SS**  trans51106.7141.5-84.395.3000117.9
64Q44Very low41.4Very low175 Ų175154 Ų15482%0.81877%0.773SS**  169.3109.5119-90.9165.335.900105.6
65Q40.6Very low41.1Very low179 Ų179160.2 Ų160.284%0.83679%0.785SS**  56.6125.796.8-100.6-172.8-18.400113.2
66V41.5Very low41.4Very low125 Ų125160.1 Ų160.176%0.75879%0.791SS**  trans108.4117.3152.4-165.70000116.4
67H38.2Very low41.5Very low168 Ų168157.4 Ų157.478%0.77879%0.788SS**  trans81.2106.8155.4-103.9-66.5000121.8
68R42.1Very low41.5Very low220 Ų220164.6 Ų164.683%0.8380%0.795SS**  trans-84.8144.4148.1-154.3-178.3-167.7154.72.9108.3
69P44.3Very low41.6Very low110 Ų110161.1 Ų161.171%0.71479%0.792SS**  -142.6133105.230.4-12.3000111.5
70Y36.2Very low41.9Very low172 Ų172161.1 Ų161.168%0.67579%0.792SS**  58.399.895.2-143.5-91.4000114.6E72Y70-E72 HydrophobicContact CD1-CG 3.83Å; Y70-E72 HydrophobicContact CE1-CG 3.41Å; Y70-E72 VanDerWaalsContact CE1-CG 3.41Å
71D44Very low42.7Very low155 Ų155160 Ų16083%0.82979%0.791SS**  trans-150.9104.1150.3-99.2-31.5000103.8
72E43.5Very low43Very low130 Ų130160.1 Ų160.161%0.60779%0.792SS**  53.6123.180.3-64.6-159.4154.600114Y70Y70-E72 HydrophobicContact CD1-CG 3.83Å; Y70-E72 HydrophobicContact CE1-CG 3.41Å; Y70-E72 VanDerWaalsContact CE1-CG 3.41Å
73T45.3Very low43.9Very low150 Ų150157.2 Ų157.292%0.9279%0.792SS**  trans87.5132.3169.976.60000117.8
74G40.1Very low44.1Very low74 Ų74156.4 Ų156.476%0.76379%0.789SS**  trans130.961.5158.700000117
75R37.5Very low44.2Very low239 Ų239158.4 Ų158.490%0.90279%0.79SS**  trans-48.9155.1164.3-68172.1167.7-173.9-4.1112.6
76K43.2Very low44.6Very low206 Ų206152.8 Ų152.890%0.89678%0.78SS**  trans111.2133.7159.4-63.5166.6-177.8-175.50112.1
77A44.4Very low44.8Very low89 Ų89150.5 Ų150.574%0.73678%0.775SS**  cis-162.7154.3-3.800000108.2
78Y37.8Very low45.2Very low223 Ų223151.5 Ų151.588%0.87578%0.779SS**  trans-40131167.2-73.4-100000114
79D44.1Very low45.4Very low144 Ų144149.2 Ų149.277%0.7778%0.783SS**  trans-179.1131.9146.7-76.8-34.1000100.5
80H50.9Low45.6Very low159 Ų159147.6 Ų147.674%0.73678%0.778SS**  cis-175.7127.43724.7-86.6000107.1
81L55.9Low45.7Very low163 Ų163142.4 Ų142.485%0.85378%0.777SS**  trans64.1130.3155.3-68.790.1000121.4L83L81-L83 PolarHBondContact O-N 3.48Å
82P49.3Very low45.9Very low111 Ų111140.2 Ų140.272%0.72177%0.771SS**  trans-80.5107.9171.932.9-28.9000109.9N84P82-N84 PolarHBondContact O-N 2.94Å; P82-N84 VanDerWaalsContact O-N 3.17Å
83L56Low46.1Very low162 Ų162145.1 Ų145.185%0.84878%0.784SS**  trans-77.1104.9177.9-159.473.2000110.5L81L81-L83 PolarHBondContact O-N 3.48Å
84N47.6Very low46.1Very low130 Ų130148.2 Ų148.270%0.69578%0.779SS**  trans62.590.4156-80.7-49000118.4P82 G86P82-N84 PolarHBondContact O-N 2.94Å; P82-N84 VanDerWaalsContact O-N 3.17Å; N84-G86 PolarHBondContact O-N 2.91Å
85Y45.9Very low46.7Very low218 Ų218152.6 Ų152.686%0.85578%0.78SS**THydrogen-bonded Turntrans-48.1110.4142.6-72.3-94.4000110.2
86G47.8Very low47.5Very low60 Ų60150.6 Ų150.662%0.61978%0.777SS**THydrogen-bonded Turntrans163.5-22.6176.400000114.3N84 H88N84-G86 PolarHBondContact O-N 2.91Å; G86-H88 PolarHBondContact O-N 3.05Å
87A46.3Very low48.1Very low78 Ų78143.2 Ų143.265%0.64576%0.76SS**G310 helixtrans-74.3-8.3179.600000114.5L89 A90A87-L89 VanDerWaalsContact C-N 3.31Å; A87-L89 PolarHBondContact O-N 2.73Å; A87-A90 PolarHBondContact O-N 2.88Å
88H46.3Very low48.7Very low189 Ų189147 Ų14788%0.87576%0.76SS**G310 helixtrans-80.1-1.3178.4-80.3-83000115.1G86G86-H88 PolarHBondContact O-N 3.05Å
89L46Very low49.4Very low172 Ų172146 Ų14690%0.90176%0.755SS**G310 helixtrans-103.6-3.1168-63.9179.3000113.3A87 G91A87-L89 VanDerWaalsContact C-N 3.31Å; A87-L89 PolarHBondContact O-N 2.73Å; L89-G91 PolarHBondContact O-N 3.44Å
90A48.9Very low50Low76 Ų76143.3 Ų143.363%0.62875%0.747SS**  trans-90.238.2175.900000112.1A87 P92A87-A90 PolarHBondContact O-N 2.88Å; A90-P92 VanDerWaalsContact O-CD 3.31Å; A90-P92 WeakPolarHBondContact O-CD 3.34Å
91G39.8Very low50.5Low62 Ų62138.8 Ų138.864%0.63973%0.733SS**  trans-62113.4171.100000110L89L89-G91 PolarHBondContact O-N 3.44Å
92P47.9Very low50.9Low110 Ų110135.9 Ų135.971%0.71472%0.718SS**  trans-80156.2-17834.7-32.6000109.4A90A90-P92 VanDerWaalsContact O-CD 3.31Å; A90-P92 WeakPolarHBondContact O-CD 3.34Å
93R46.7Very low51.4Low232 Ų232136.3 Ų136.388%0.87571%0.714SS**  trans68.292.6159.2-66.7170.6160-140.3-4.8116.3
94R45Very low52.1Low216 Ų216130.4 Ų130.482%0.81569%0.685SS**SBend174.2130.8124.5-90.6154.4-172.3-170.21.6108.1K96R94-K96 PolarHBondContact O-N 2.85Å
95E53.7Low53.2Low166 Ų166130.7 Ų130.778%0.77668%0.68SS**SBendtrans83.6-4155.5-58.1160.3-136.900121.7G97E95-G97 VanDerWaalsContact C-N 3.34Å; E95-G97 PolarHBondContact O-N 2.74Å
96K53.7Low54.5Low197 Ų197129 Ų12986%0.85767%0.674SS**THydrogen-bonded Turntrans-8316.6-177.9-73.4163.9175.5171.50117.2R94R94-K96 PolarHBondContact O-N 2.85Å
97G56.9Low55.7Low51 Ų51127.2 Ų127.253%0.52665%0.652SS.*THydrogen-bonded Turntrans-101-21.3-168.500000117.8E95E95-G97 VanDerWaalsContact C-N 3.34Å; E95-G97 PolarHBondContact O-N 2.74Å
98F56.2Low57.1Low169 Ų169128.8 Ų128.874%0.74165%0.648SS**Hα-helixtrans-77.3-39.6-170.7-71.9-82000113.2S100 S101 L102F98-S100 PolarHBondContact O-N 3.24Å; F98-S101 PolarHBondContact O-N 3.38Å; F98-S101 VanDerWaalsContact O-N 3.16Å; F98-L102 PolarHBondContact O-N 2.81Å
99W51.7Low58.8Low202 Ų202121.5 Ų121.577%0.76563%0.625SS**Hα-helixtrans-67.4-35.6-178.3-62.190000112.6S101 L102 L103W99-S101 VanDerWaalsContact C-N 3.25Å; W99-S101 PolarHBondContact O-N 2.94Å; W99-L102 PolarHBondContact O-N 3.01Å; W99-L103 VanDerWaalsContact O-CD1 3.23Å; W99-L103 WeakPolarHBondContact O-CD1 3.47Å; W99-L103 PolarHBondContact O-N 2.96Å
100S58.2Low60.5Low87 Ų87116.3 Ų116.361%0.60860%0.6SS**Hα-helixtrans-71.8-20.9176.3-165.50000113.1F98F98-S100 PolarHBondContact O-N 3.24Å
101S60.9Low61.9Low63 Ų63116.3 Ų116.344%0.44159%0.589SS.*Hα-helixtrans-84.9-30172.5-164.10000111.9F98 W99 P104 F105F98-S101 PolarHBondContact O-N 3.38Å; F98-S101 VanDerWaalsContact O-N 3.16Å; W99-S101 VanDerWaalsContact C-N 3.25Å; W99-S101 PolarHBondContact O-N 2.94Å; S101-P104 WeakPolarHBondContact O-CD 3.45Å; S101-P104 WeakPolarHBondContact O-CG 3.32Å; S101-F105 VanDerWaalsContact O-CD2 3.28Å; S101-F105 WeakPolarHBondContact O-CD2 3.42Å
102L63.8Low63.7Low103 Ų103116.2 Ų116.254%0.53958%0.582SS.*Hα-helixtrans-77.1-27.2-179.4-158.269.6000113.5F98 W99 F105 Y106F98-L102 PolarHBondContact O-N 2.81Å; W99-L102 PolarHBondContact O-N 3.01Å; L102-F105 HydrophobicContact CD1-CB 4.36Å; L102-F105 PolarHBondContact O-N 2.87Å; L102-Y106 PolarHBondContact O-N 2.9Å
103L60.8Low65.3Low120 Ų120117.3 Ų117.363%0.62858%0.576SS**Hα-helixtrans-47.1-50.8175.3-107.685.4000114.1W99 Y106 S107W99-L103 VanDerWaalsContact O-CD1 3.23Å; W99-L103 WeakPolarHBondContact O-CD1 3.47Å; W99-L103 PolarHBondContact O-N 2.96Å; L103-Y106 PolarHBondContact O-N 3.01Å; L103-S107 PolarHBondContact O-N 3.45Å
104P69.3Low66.8Low38 Ų38111.1 Ų111.125%0.24756%0.559CS.*Hα-helixtrans-71-24.4177.625.2-35000114.3S101 S107 I108S101-P104 WeakPolarHBondContact O-CD 3.45Å; S101-P104 WeakPolarHBondContact O-CG 3.32Å; P104-S107 WeakPolarHBondContact CA-OG 3.46Å; P104-S107 PolarHBondContact O-OG 3.38Å; P104-I108 WeakPolarHBondContact O-CB 3.39Å; P104-I108 PolarHBondContact O-N 3.28Å
105F72Confident68.4Low136 Ų136103.2 Ų103.260%0.59654%0.54SS*.Hα-helixtrans-70.9-36173.6-76.3-77.9000111.5S101 L102 G109S101-F105 VanDerWaalsContact O-CD2 3.28Å; S101-F105 WeakPolarHBondContact O-CD2 3.42Å; L102-F105 HydrophobicContact CD1-CB 4.36Å; L102-F105 PolarHBondContact O-N 2.87Å; F105-G109 PolarHBondContact O-N 2.84Å
106Y72.4Confident69.6Low181 Ų181101.5 Ų101.571%0.7153%0.528SS*.Hα-helixtrans-64.9-42.9174.1-172.9-97.9000111.5L102 L103 G109 V110L102-Y106 PolarHBondContact O-N 2.9Å; L103-Y106 PolarHBondContact O-N 3.01Å; Y106-G109 PolarHBondContact O-N 3.26Å; Y106-V110 HydrophobicContact CD1-CG2 4.07Å; Y106-V110 HydrophobicContact CE1-CG2 3.71Å; Y106-V110 WeakPolarHBondContact O-CG2 3.42Å; Y106-V110 PolarHBondContact O-N 3.26Å
107S72.6Confident70.6Confident24 Ų2494.4 Ų94.417%0.16850%0.501CS..Hα-helixtrans-65.9-43177.364.80000112.2L103 P104 G109 V110 I111L103-S107 PolarHBondContact O-N 3.45Å; P104-S107 WeakPolarHBondContact CA-OG 3.46Å; P104-S107 PolarHBondContact O-OG 3.38Å; S107-G109 VanDerWaalsContact C-N 3.28Å; S107-G109 PolarHBondContact O-N 3.3Å; S107-V110 PolarHBondContact O-N 2.93Å; S107-I111 WeakPolarHBondContact O-CD1 3.42Å; S107-I111 WeakPolarHBondContact O-CG1 3.48Å; S107-I111 PolarHBondContact O-N 2.9Å
108I77.2Confident71.5Confident110 Ų11095.6 Ų95.656%0.56450%0.495SS*.Hα-helixtrans-59-41.7172.9-113.770.2000111.1P104 I111 A112P104-I108 WeakPolarHBondContact O-CB 3.39Å; P104-I108 PolarHBondContact O-N 3.28Å; I108-I111 PolarHBondContact O-N 3Å; I108-A112 VanDerWaalsContact O-CB 3.3Å; I108-A112 WeakPolarHBondContact O-CB 3.23Å; I108-A112 PolarHBondContact O-N 2.93Å
109G81.7Confident72.4Confident37 Ų3791.3 Ų91.338%0.38149%0.486SS..Hα-helixtrans-63.6-45.2178.600000112.2F105 Y106 S107 I111 A112 F113F105-G109 PolarHBondContact O-N 2.84Å; Y106-G109 PolarHBondContact O-N 3.26Å; S107-G109 VanDerWaalsContact C-N 3.28Å; S107-G109 PolarHBondContact O-N 3.3Å; G109-I111 PolarHBondContact O-N 3.26Å; G109-A112 PolarHBondContact O-N 2.88Å; G109-F113 WeakPolarHBondContact O-CB 3.29Å; G109-F113 PolarHBondContact O-N 3.35Å
110V80.1Confident73.4Confident62 Ų6286.9 Ų86.938%0.37647%0.472SS..Hα-helixtrans-63.1-42.1175.9174.20000110.9Y106 S107 F113 L114Y106-V110 HydrophobicContact CD1-CG2 4.07Å; Y106-V110 HydrophobicContact CE1-CG2 3.71Å; Y106-V110 WeakPolarHBondContact O-CG2 3.42Å; Y106-V110 PolarHBondContact O-N 3.26Å; S107-V110 PolarHBondContact O-N 2.93Å; V110-F113 PolarHBondContact O-N 3.47Å; V110-L114 WeakPolarHBondContact O-CB 3.37Å; V110-L114 PolarHBondContact O-N 2.96Å
111I78.9Confident73.9Confident77 Ų7786.8 Ų86.840%0.39546%0.463SS..Hα-helixtrans-65.7-45.2178.1-65.3160.8000110.8V27 S107 I108 G109 F113 L114 A115V27-I111 HydrophobicContact CG1-CD1 4.44Å; S107-I111 WeakPolarHBondContact O-CD1 3.42Å; S107-I111 WeakPolarHBondContact O-CG1 3.48Å; S107-I111 PolarHBondContact O-N 2.9Å; I108-I111 PolarHBondContact O-N 3Å; G109-I111 PolarHBondContact O-N 3.26Å; I111-F113 VanDerWaalsContact C-N 3.35Å; I111-L114 PolarHBondContact O-N 2.89Å; I111-A115 WeakPolarHBondContact O-CB 3.35Å; I111-A115 PolarHBondContact O-N 3.48Å
112A78.6Confident74.1Confident60 Ų6088 Ų8850%0.49646%0.458SS..Hα-helixtrans-63.8-40.4176.600000111.7I108 G109 A115 Y116I108-A112 VanDerWaalsContact O-CB 3.3Å; I108-A112 WeakPolarHBondContact O-CB 3.23Å; I108-A112 PolarHBondContact O-N 2.93Å; G109-A112 PolarHBondContact O-N 2.88Å; A112-A115 PolarHBondContact O-N 2.73Å; A112-Y116 VanDerWaalsContact O-CB 3.24Å; A112-Y116 WeakPolarHBondContact O-CB 3.39Å; A112-Y116 PolarHBondContact O-N 2.86Å
113F80.1Confident73.9Confident133 Ų13389.5 Ų89.558%0.58347%0.466SS*.Hα-helixtrans-66.5-39.2175.6-177.2-99.5000112.1G109 V110 I111 Y116 T117G109-F113 WeakPolarHBondContact O-CB 3.29Å; G109-F113 PolarHBondContact O-N 3.35Å; V110-F113 PolarHBondContact O-N 3.47Å; I111-F113 VanDerWaalsContact C-N 3.35Å; F113-Y116 PolarHBondContact O-N 3.29Å; F113-T117 VanDerWaalsContact O-CB 3.3Å; F113-T117 WeakPolarHBondContact O-CB 3.2Å; F113-T117 PolarHBondContact O-N 3.41Å; F113-T117 PolarHBondContact O-OG1 2.71Å
114L79.5Confident73.7Confident101 Ų10190.7 Ų90.753%0.52947%0.466SS..Hα-helixtrans-65.3-47.3174.4-126.170.6000110.9V110 I111 Y116 T117 L118V110-L114 WeakPolarHBondContact O-CB 3.37Å; V110-L114 PolarHBondContact O-N 2.96Å; I111-L114 PolarHBondContact O-N 2.89Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; L114-Y116 PolarHBondContact O-N 2.89Å; L114-T117 PolarHBondContact O-N 2.91Å; L114-L118 WeakPolarHBondContact O-CB 3.41Å; L114-L118 WeakPolarHBondContact O-CG 3.32Å; L114-L118 PolarHBondContact O-N 3.15Å
115A78.9Confident72.9Confident51 Ų5193.1 Ų93.142%0.42148%0.48SS..Hα-helixtrans-59.5-45.6175.900000110.9I111 A112 L118 S119I111-A115 WeakPolarHBondContact O-CB 3.35Å; I111-A115 PolarHBondContact O-N 3.48Å; A112-A115 PolarHBondContact O-N 2.73Å; A115-L118 PolarHBondContact O-N 2.91Å; A115-S119 VanDerWaalsContact O-CB 3.29Å; A115-S119 WeakPolarHBondContact O-CB 3.3Å; A115-S119 PolarHBondContact O-N 2.89Å; A115-S119 PolarHBondContact O-OG 3.26Å; A115-S119 VanDerWaalsContact O-OG 3.07Å
116Y77.6Confident72.1Confident129 Ų12992.5 Ų92.551%0.50648%0.483SS..Hα-helixtrans-61.3-46.7175.5172.9-100.1000112.2A112 F113 L114 L118 S119 K120A112-Y116 VanDerWaalsContact O-CB 3.24Å; A112-Y116 WeakPolarHBondContact O-CB 3.39Å; A112-Y116 PolarHBondContact O-N 2.86Å; F113-Y116 PolarHBondContact O-N 3.29Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; L114-Y116 PolarHBondContact O-N 2.89Å; Y116-L118 VanDerWaalsContact C-N 3.32Å; Y116-L118 PolarHBondContact O-N 2.92Å; Y116-S119 PolarHBondContact O-N 2.71Å; Y116-K120 HydrophobicContact CE1-CD 3.84Å; Y116-K120 WeakPolarHBondContact O-CB 3.41Å; Y116-K120 PolarHBondContact O-N 3.42Å; Y116-K120 PolarHBondContact OH-NZ 2.92Å
117T76.1Confident71.1Confident49 Ų4988.9 Ų88.930%0.30148%0.48SS..Hα-helixtrans-63.2-41.7179.7-57.40000110.6F113 L114 M121F113-T117 VanDerWaalsContact O-CB 3.3Å; F113-T117 WeakPolarHBondContact O-CB 3.2Å; F113-T117 PolarHBondContact O-N 3.41Å; F113-T117 PolarHBondContact O-OG1 2.71Å; L114-T117 PolarHBondContact O-N 2.91Å; T117-M121 HydrophobicContact CG2-SD 4.44Å; T117-M121 WeakPolarHBondContact O-CB 3.36Å; T117-M121 VanDerWaalsContact O-CG 3.25Å; T117-M121 WeakPolarHBondContact O-CG 3.46Å; T117-M121 PolarHBondContact O-N 3.35Å
118L75Confident70Confident76 Ų7693.8 Ų93.840%0.39850%0.504SS..Hα-helixtrans-66.8-50.8175.6-69.4170.7000111L114 A115 Y116 K120 M121 W122L114-L118 WeakPolarHBondContact O-CB 3.41Å; L114-L118 WeakPolarHBondContact O-CG 3.32Å; L114-L118 PolarHBondContact O-N 3.15Å; A115-L118 PolarHBondContact O-N 2.91Å; Y116-L118 VanDerWaalsContact C-N 3.32Å; Y116-L118 PolarHBondContact O-N 2.92Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 3.1Å; L118-M121 CarbonylContact O-C 3.52Å; L118-M121 PolarHBondContact O-N 3.03Å; L118-M121 VanDerWaalsContact O-N 3.1Å; L118-W122 WeakPolarHBondContact O-CB 3.39Å; L118-W122 PolarHBondContact O-N 2.93Å
119S75.8Confident68.5Low79 Ų7991.9 Ų91.955%0.55251%0.511SS*.Hα-helixtrans-58.2-39.4176.2-67.80000112.3A115 Y116 W122 L123A115-S119 VanDerWaalsContact O-CB 3.29Å; A115-S119 WeakPolarHBondContact O-CB 3.3Å; A115-S119 PolarHBondContact O-N 2.89Å; A115-S119 PolarHBondContact O-OG 3.26Å; A115-S119 VanDerWaalsContact O-OG 3.07Å; Y116-S119 PolarHBondContact O-N 2.71Å; S119-W122 PolarHBondContact O-N 2.86Å; S119-L123 VanDerWaalsContact O-CB 3.29Å; S119-L123 WeakPolarHBondContact O-CB 3.48Å; S119-L123 PolarHBondContact O-N 3.03Å
120K72.3Confident66.9Low108 Ų10895.9 Ų95.947%0.4753%0.528SS..Hα-helixtrans-67.9-36.8176.4-170.7176.4-170.6172.30112.1Y116 L118 K124Y116-K120 HydrophobicContact CE1-CD 3.84Å; Y116-K120 WeakPolarHBondContact O-CB 3.41Å; Y116-K120 PolarHBondContact O-N 3.42Å; Y116-K120 PolarHBondContact OH-NZ 2.92Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 3.1Å; K120-K124 PolarHBondContact O-N 2.87Å
121M68.2Low65.1Low85 Ų85102.8 Ų102.842%0.41955%0.548SS..Hα-helixtrans-70.5-37.3172.7-75.6-17762.800112.2T117 L118 K124 T125T117-M121 HydrophobicContact CG2-SD 4.44Å; T117-M121 WeakPolarHBondContact O-CB 3.36Å; T117-M121 VanDerWaalsContact O-CG 3.25Å; T117-M121 WeakPolarHBondContact O-CG 3.46Å; T117-M121 PolarHBondContact O-N 3.35Å; L118-M121 CarbonylContact O-C 3.52Å; L118-M121 PolarHBondContact O-N 3.03Å; L118-M121 VanDerWaalsContact O-N 3.1Å; M121-K124 PolarHBondContact O-N 2.81Å; M121-T125 PolarHBondContact O-N 3.33Å; M121-T125 PolarHBondContact O-OG1 3.42Å
122W64.6Low63.4Low90 Ų90104 Ų10434%0.34156%0.555SS.*Hα-helixtrans-72.6-42.5-179.6-79.350.1000111.7T13 V16 L118 S119 K124 T125 D126T13-W122 HydrophobicContact CG2-CH2 4.23Å; T13-W122 HydrophobicContact CG2-CZ3 3.9Å; V16-W122 HydrophobicContact CB-CH2 4.23Å; V16-W122 HydrophobicContact CB-CZ2 4.18Å; V16-W122 HydrophobicContact CG2-CH2 3.69Å; V16-W122 HydrophobicContact CG2-CZ2 3.24Å; L118-W122 WeakPolarHBondContact O-CB 3.39Å; L118-W122 PolarHBondContact O-N 2.93Å; S119-W122 PolarHBondContact O-N 2.86Å; W122-K124 PolarHBondContact O-N 3.38Å; W122-T125 WeakPolarHBondContact O-CA 3.49Å; W122-T125 WeakPolarHBondContact O-CB 3.06Å; W122-T125 PolarHBondContact O-N 3.28Å; W122-D126 PolarHBondContact O-N 2.89Å; W122-D126 VanDerWaalsContact O-N 3.11Å
123L60.1Low61.8Low133 Ų133110.6 Ų110.670%0.69658%0.575SS**Hα-helixtrans-60.2-32.9174.9-171.165.7000112.1S119 T125S119-L123 VanDerWaalsContact O-CB 3.29Å; S119-L123 WeakPolarHBondContact O-CB 3.48Å; S119-L123 PolarHBondContact O-N 3.03Å; L123-T125 VanDerWaalsContact C-N 3.35Å
124K56.7Low60.3Low145 Ų145112.1 Ų112.163%0.6358%0.584SS**Hα-helixtrans-75.4-20.6172-80.4-178.3163.8-1710113.9K120 M121 W122 T127K120-K124 PolarHBondContact O-N 2.87Å; M121-K124 PolarHBondContact O-N 2.81Å; W122-K124 PolarHBondContact O-N 3.38Å; K124-T127 PolarHBondContact O-OG1 3.45Å
125T53.6Low58.8Low90 Ų90110.3 Ų110.355%0.55258%0.584SS**Hα-helixtrans-85.3-37.9-177.1-59.30000111.1M121 W122 L123 T127 N128M121-T125 PolarHBondContact O-N 3.33Å; M121-T125 PolarHBondContact O-OG1 3.42Å; W122-T125 WeakPolarHBondContact O-CA 3.49Å; W122-T125 WeakPolarHBondContact O-CB 3.06Å; W122-T125 PolarHBondContact O-N 3.28Å; L123-T125 VanDerWaalsContact C-N 3.35Å; T125-T127 VanDerWaalsContact C-N 3.29Å; T125-T127 PolarHBondContact O-N 3.46Å; T125-N128 PolarHBondContact O-N 3.01Å
126D54.4Low57.5Low123 Ų123116.1 Ų116.166%0.65861%0.607SS**Hα-helixtrans-72.1-20.8-179-70.9-28.5000113.3W122 N128W122-D126 PolarHBondContact O-N 2.89Å; W122-D126 VanDerWaalsContact O-N 3.11Å; D126-N128 VanDerWaalsContact C-N 3.3Å; D126-N128 PolarHBondContact O-N 3.05Å
127T52.2Low56Low105 Ų105117.5 Ų117.564%0.64461%0.611SS**THydrogen-bonded Turntrans-78.5-12.5174.159.70000113.9K124 T125K124-T127 PolarHBondContact O-OG1 3.45Å; T125-T127 VanDerWaalsContact C-N 3.29Å; T125-T127 PolarHBondContact O-N 3.46Å
128N48.5Very low54.8Low127 Ų127120.1 Ų120.168%0.67962%0.623SS**THydrogen-bonded Turntrans-105.613.6-175.4-68.13.3000112.7T125 D126 V130T125-N128 PolarHBondContact O-N 3.01Å; D126-N128 VanDerWaalsContact C-N 3.3Å; D126-N128 PolarHBondContact O-N 3.05Å; N128-V130 PolarHBondContact O-N 3.29Å; N128-V130 VanDerWaalsContact O-N 3.1Å
129G45.4Very low53.8Low69 Ų69122 Ų12271%0.71164%0.638SS**  trans-75.515.4-176.600000116.2
130V48.6Very low52.6Low122 Ų122123 Ų12374%0.73965%0.645SS**SBendtrans-123.7114177.7-176.20000108.2N128N128-V130 PolarHBondContact O-N 3.29Å; N128-V130 VanDerWaalsContact O-N 3.1Å
131R41.9Very low51.5Low207 Ų207123.6 Ų123.678%0.78165%0.652SS**SBendtrans86.4124.1161.1-86.9172.261.3-172.7-1.2119.4
132D43.9Very low50.7Low103 Ų103127.2 Ų127.255%0.55167%0.666SS**  trans90.582.8138.5-52.3-19.2000117.4H134D132-H134 PolarHBondContact O-N 3.4Å
133E45Very low50Low197 Ų197132.9 Ų132.992%0.92169%0.687SS**THydrogen-bonded Turn26.94.4125.9-60.4-69.5139.700122.2
134H47.8Very low49.4Very low166 Ų166133.7 Ų133.777%0.76969%0.692SS**THydrogen-bonded Turntrans-125.4-2.7177.1-106.2-89.9000113.4D132 L136D132-H134 PolarHBondContact O-N 3.4Å; H134-L136 VanDerWaalsContact C-N 3.35Å; H134-L136 PolarHBondContact O-N 2.69Å
135A49.3Very low48.9Very low63 Ų63130.4 Ų130.452%0.52170%0.7SS.*THydrogen-bonded Turntrans-79.7-6.6-173.800000115.3W137 T139A135-W137 VanDerWaalsContact C-N 3.31Å; A135-W137 PolarHBondContact O-N 2.88Å; A135-T139 PolarHBondContact O-OG1 3.45Å
136L50.6Low48.5Very low173 Ų173137.2 Ų137.291%0.90672%0.715SS**THydrogen-bonded Turntrans-75.2-15.7179.2-78.6173.7000114H134H134-L136 VanDerWaalsContact C-N 3.35Å; H134-L136 PolarHBondContact O-N 2.69Å
137W46.1Very low48.1Very low157 Ų157141.3 Ų141.360%0.59573%0.73SS**THydrogen-bonded Turntrans-95.5-24.6-177.1-16669.1000114.2A135 L160A135-W137 VanDerWaalsContact C-N 3.31Å; A135-W137 PolarHBondContact O-N 2.88Å; W137-L160 HydrophobicContact CH2-CD2 4.3Å
138L50.2Low47.9Very low105 Ų105141.2 Ų141.255%0.5573%0.734SS.*THydrogen-bonded Turntrans-90.8-18.9-176.4-86.2139.9000114.4S140 F142L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.08Å; L138-F142 HydrophobicContact CD2-CE2 4.34Å
139T54.1Low47.7Very low116 Ų116137.6 Ų137.671%0.71273%0.726SS**THydrogen-bonded Turntrans-82.5-10.4-172.1-40.10000113.3A135A135-T139 PolarHBondContact O-OG1 3.45Å
140S50.5Low47.9Very low99 Ų99139.5 Ų139.569%0.69273%0.729SS**THydrogen-bonded Turntrans-91.2-14.8178.360.80000114.5L138L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.08Å
141L50.4Low48.1Very low120 Ų120143 Ų14363%0.62873%0.73SS**THydrogen-bonded Turntrans-105.8-11.6-167.6-105162.3000116
142F50.6Low48.5Very low161 Ų161140 Ų14071%0.70672%0.723SS**  trans-121.913.9-168.6-74.8-80.1000116.2L138 N144L138-F142 HydrophobicContact CD2-CE2 4.34Å; F142-N144 PolarHBondContact O-N 2.83Å
143R50.7Low49Very low210 Ų210137.8 Ų137.879%0.79273%0.725SS**SBendtrans-83.242.5170.2-154.3-178.682.4179.95111.7
144N46.7Very low49.4Very low150 Ų150132.6 Ų132.680%0.80271%0.71SS**SBendtrans-143.5107.8175.1-110.110.7000108.6F142F142-N144 PolarHBondContact O-N 2.83Å
145G47Very low50Low76 Ų76130.3 Ų130.378%0.78470%0.703SS**SBendtrans84118.2150.500000118
146R44.7Very low51.1Low232 Ų232131.5 Ų131.588%0.87570%0.701SS**  trans7898.7143.4-97.4172.7171.3-169.8-3.1118S148R146-S148 PolarHBondContact O-N 3.33Å
147E45.9Very low52.2Low210 Ų210127.5 Ų127.598%0.98168%0.68SS**SBendtrans-54.982.1142.1-56.3172.4-172.400109.3
148S48.4Very low53.7Low102 Ų102125.1 Ų125.171%0.71368%0.679SS**  trans-163.6108.6167-175.90000110.4R146R146-S148 PolarHBondContact O-N 3.33Å
149G44.4Very low54.8Low51 Ų51125.9 Ų125.953%0.52668%0.68SS.*  trans9782.2157.500000116Y151G149-Y151 PolarHBondContact O-N 2.84Å
150S49.2Very low55.8Low110 Ų110124.2 Ų124.277%0.76967%0.666SS**THydrogen-bonded Turntrans-66.339.9172.359.40000115.3
151Y53Low57.3Low194 Ų194125.6 Ų125.676%0.76166%0.66SS**THydrogen-bonded Turntrans-131.6-8.5178.3-68.1-79.7000114.4G149G149-Y151 PolarHBondContact O-N 2.84Å
152F50.9Low58.8Low145 Ų145127.9 Ų127.964%0.63666%0.66SS**SBendtrans-96.2-12.3-175.1-84.6-82.6000115.8
153G54Low60.2Low56 Ų56123.7 Ų123.758%0.57765%0.645SS**Hα-helixtrans-65.6-42.3-178.700000113.9L155G153-L155 PolarHBondContact O-N 3.29Å
154S53.2Low61.8Low89 Ų89121.5 Ų121.562%0.62264%0.636SS**Hα-helixtrans-76.4-21.3-174.9-177.80000114.3
155L60.5Low63.8Low118 Ų118120.5 Ų120.562%0.61863%0.627SS**Hα-helixtrans-78.4-27.4-179.9-72.8172.4000112G153G153-L155 PolarHBondContact O-N 3.29Å
156N71.4Confident65.4Low87 Ų87119.9 Ų119.947%0.46560%0.604SS.*Hα-helixtrans-81-29.3-175.9-146.714.4000112.4N158 Q159 L160N156-N158 VanDerWaalsContact C-N 3.34Å; N156-N158 PolarHBondContact O-N 3.04Å; N156-Q159 PolarHBondContact O-N 2.79Å; N156-Q159 VanDerWaalsContact O-N 3.15Å; N156-L160 WeakPolarHBondContact O-CB 3.1Å; N156-L160 PolarHBondContact O-N 3.47Å
157D73.7Confident67.3Low90 Ų90113.6 Ų113.648%0.48159%0.587SS.*Hα-helixtrans-62.9-38.6-178.5-66.8-26.2000112.7Q159 L160 K161D157-Q159 VanDerWaalsContact C-N 3.35Å; D157-L160 PolarHBondContact O-N 3.2Å; D157-K161 WeakPolarHBondContact O-CB 3.13Å; D157-K161 VanDerWaalsContact O-CG 3.29Å; D157-K161 WeakPolarHBondContact O-CG 3.41Å; D157-K161 PolarHBondContact O-N 3.33Å
158N77.9Confident69.3Low106 Ų106108.5 Ų108.557%0.56757%0.566SS**Hα-helixtrans-68.5-35.7176.8-67.1-26.5000111.7N156 R162N156-N158 VanDerWaalsContact C-N 3.34Å; N156-N158 PolarHBondContact O-N 3.04Å; N158-R162 WeakPolarHBondContact O-CB 3.29Å; N158-R162 PolarHBondContact O-N 3.44Å
159Q73.1Confident71Confident121 Ų121110 Ų11057%0.56556%0.561SS**Hα-helixtrans-71.2-38.9174.6-65.9-163.6-3.500111.5N156 D157 R162 L163N156-Q159 PolarHBondContact O-N 2.79Å; N156-Q159 VanDerWaalsContact O-N 3.15Å; D157-Q159 VanDerWaalsContact C-N 3.35Å; Q159-R162 PolarHBondContact O-N 2.85Å; Q159-L163 WeakPolarHBondContact O-CB 3.44Å; Q159-L163 PolarHBondContact O-N 3.44Å
160L75.9Confident72.7Confident82 Ų82110.7 Ų110.743%0.42956%0.556SS.*Hα-helixtrans-65-41.6174.8-126.582.4000111.6W137 N156 D157 L163 R164W137-L160 HydrophobicContact CH2-CD2 4.3Å; N156-L160 WeakPolarHBondContact O-CB 3.1Å; N156-L160 PolarHBondContact O-N 3.47Å; D157-L160 PolarHBondContact O-N 3.2Å; L160-L163 PolarHBondContact O-N 3.26Å; L160-R164 VanDerWaalsContact O-CB 3.27Å; L160-R164 WeakPolarHBondContact O-CB 3.25Å; L160-R164 PolarHBondContact O-N 3.02Å
161K82.6Confident74.3Confident127 Ų127111.3 Ų111.355%0.55255%0.546SS*.Hα-helixtrans-61.2-47.8174.2-79.7179.4-178.7-177.50111D157 L163 R164 E165D157-K161 WeakPolarHBondContact O-CB 3.13Å; D157-K161 VanDerWaalsContact O-CG 3.29Å; D157-K161 WeakPolarHBondContact O-CG 3.41Å; D157-K161 PolarHBondContact O-N 3.33Å; K161-L163 VanDerWaalsContact C-N 3.33Å; K161-L163 PolarHBondContact O-N 3.05Å; K161-R164 PolarHBondContact O-N 3.31Å; K161-E165 WeakPolarHBondContact O-CB 3.32Å; K161-E165 WeakPolarHBondContact O-CG 3.2Å; K161-E165 PolarHBondContact O-N 3.1Å
162R81.8Confident75.9Confident169 Ų169108.3 Ų108.364%0.63854%0.539SS*.Hα-helixtrans-61.4-42.4176.5-170.3176.8179.6-1790.8111.8N158 Q159 R164 E165 Q166N158-R162 WeakPolarHBondContact O-CB 3.29Å; N158-R162 PolarHBondContact O-N 3.44Å; Q159-R162 PolarHBondContact O-N 2.85Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.17Å; R162-E165 PolarHBondContact O-N 3.22Å; R162-Q166 WeakPolarHBondContact O-CB 3.24Å; R162-Q166 VanDerWaalsContact O-CG 3.23Å; R162-Q166 WeakPolarHBondContact O-CG 3.37Å; R162-Q166 PolarHBondContact O-N 2.95Å
163L80Confident77.4Confident73 Ų73103.8 Ų103.838%0.38253%0.529SS..Hα-helixtrans-63.7-40.1176.4-166.977.6000111.3Q159 L160 K161 Q166 L167Q159-L163 WeakPolarHBondContact O-CB 3.44Å; Q159-L163 PolarHBondContact O-N 3.44Å; L160-L163 PolarHBondContact O-N 3.26Å; K161-L163 VanDerWaalsContact C-N 3.33Å; K161-L163 PolarHBondContact O-N 3.05Å; L163-Q166 PolarHBondContact O-N 3.21Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.43Å
164R84Confident78.5Confident164 Ų164106 Ų10662%0.61953%0.525SS*.Hα-helixtrans-68.2-43.5177.9-172.3-176.9-176.3109.93.7112L160 K161 R162 Q166 L167 L168L160-R164 VanDerWaalsContact O-CB 3.27Å; L160-R164 WeakPolarHBondContact O-CB 3.25Å; L160-R164 PolarHBondContact O-N 3.02Å; K161-R164 PolarHBondContact O-N 3.31Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 3.17Å; R164-Q166 VanDerWaalsContact C-N 3.33Å; R164-L167 PolarHBondContact O-N 3.31Å; R164-L168 WeakPolarHBondContact O-CB 3.2Å; R164-L168 PolarHBondContact O-N 3.25Å
165E87.5Confident80Confident129 Ų129108 Ų10860%0.60352%0.524SS*.Hα-helixtrans-60.3-45.4173.6-76.4167.7-169.800110.4K161 R162 L167 L168 E169K161-E165 WeakPolarHBondContact O-CB 3.32Å; K161-E165 WeakPolarHBondContact O-CG 3.2Å; K161-E165 PolarHBondContact O-N 3.1Å; R162-E165 PolarHBondContact O-N 3.22Å; E165-L167 VanDerWaalsContact C-N 3.35Å; E165-L167 PolarHBondContact O-N 2.78Å; E165-L168 PolarHBondContact O-N 3.49Å; E165-E169 WeakPolarHBondContact O-CB 3.33Å; E165-E169 PolarHBondContact O-N 2.79Å
166Q81.4Confident80.9Confident63 Ų63109.9 Ų109.929%0.29453%0.528SS..Hα-helixtrans-63.5-39175.5-73.7-176.4-69.500112.3R162 L163 R164 L168 E169 T170R162-Q166 WeakPolarHBondContact O-CB 3.24Å; R162-Q166 VanDerWaalsContact O-CG 3.23Å; R162-Q166 WeakPolarHBondContact O-CG 3.37Å; R162-Q166 PolarHBondContact O-N 2.95Å; L163-Q166 PolarHBondContact O-N 3.21Å; R164-Q166 VanDerWaalsContact C-N 3.33Å; Q166-L168 VanDerWaalsContact C-N 3.34Å; Q166-E169 PolarHBondContact O-N 3.34Å; Q166-T170 VanDerWaalsContact O-CG2 3.3Å; Q166-T170 WeakPolarHBondContact O-CG2 3.36Å; Q166-T170 PolarHBondContact O-N 3.48Å; Q166-T170 PolarHBondContact O-OG1 3.1Å
167L84.3Confident81.1Confident100 Ų100107.1 Ų107.152%0.52451%0.513SS..Hα-helixtrans-65-38.9174.9-79.5170.9000111.9L163 R164 E165 T170 E171L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.43Å; R164-L167 PolarHBondContact O-N 3.31Å; E165-L167 VanDerWaalsContact C-N 3.35Å; E165-L167 PolarHBondContact O-N 2.78Å; L167-T170 VanDerWaalsContact CA-OG1 3.32Å; L167-T170 WeakPolarHBondContact CA-OG1 3.29Å; L167-T170 PolarHBondContact O-N 2.77Å; L167-T170 PolarHBondContact O-OG1 3.11Å; L167-E171 WeakPolarHBondContact O-CB 3.33Å; L167-E171 PolarHBondContact O-N 2.86Å
168L88.1Confident81.2Confident102 Ų102107.7 Ų107.753%0.53452%0.515SS..Hα-helixtrans-69-41.5177.1-161.4157.9000111.1R164 E165 Q166 T170 E171 E172R164-L168 WeakPolarHBondContact O-CB 3.2Å; R164-L168 PolarHBondContact O-N 3.25Å; E165-L168 PolarHBondContact O-N 3.49Å; Q166-L168 VanDerWaalsContact C-N 3.34Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 2.83Å; L168-E171 WeakPolarHBondContact O-CB 3.3Å; L168-E171 PolarHBondContact O-N 3.25Å; L168-E171 VanDerWaalsContact O-N 3.15Å; L168-E172 PolarHBondContact O-N 3.37Å
169E83.6Confident81.3Confident134 Ų134108.8 Ų108.863%0.62652%0.517SS*.Hα-helixtrans-60.7-40.1172.6-172.9-179.7-177.900111.2E165 Q166 E172 A173E165-E169 WeakPolarHBondContact O-CB 3.33Å; E165-E169 PolarHBondContact O-N 2.79Å; Q166-E169 PolarHBondContact O-N 3.34Å; E169-E172 PolarHBondContact O-N 3.18Å; E169-A173 WeakPolarHBondContact O-CB 3.38Å; E169-A173 PolarHBondContact O-N 3.47Å
170T80.7Confident81.1Confident66 Ų66104.5 Ų104.541%0.40551%0.505SS..Hα-helixtrans-70-32.4174.557.50000113.2Q166 L167 L168 M174Q166-T170 VanDerWaalsContact O-CG2 3.3Å; Q166-T170 WeakPolarHBondContact O-CG2 3.36Å; Q166-T170 PolarHBondContact O-N 3.48Å; Q166-T170 PolarHBondContact O-OG1 3.1Å; L167-T170 VanDerWaalsContact CA-OG1 3.32Å; L167-T170 WeakPolarHBondContact CA-OG1 3.29Å; L167-T170 PolarHBondContact O-N 2.77Å; L167-T170 PolarHBondContact O-OG1 3.11Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 2.83Å; T170-M174 VanDerWaalsContact O-CB 3.27Å; T170-M174 WeakPolarHBondContact O-CB 3.39Å; T170-M174 PolarHBondContact O-N 3.3Å
171E82.7Confident80.4Confident123 Ų123103.7 Ų103.758%0.57550%0.501SS*.Hα-helixtrans-65.7-46.1174.3-180176.1-161.200110.5L167 L168 M174 Q175L167-E171 WeakPolarHBondContact O-CB 3.33Å; L167-E171 PolarHBondContact O-N 2.86Å; L168-E171 WeakPolarHBondContact O-CB 3.3Å; L168-E171 PolarHBondContact O-N 3.25Å; L168-E171 VanDerWaalsContact O-N 3.15Å; E171-M174 PolarHBondContact O-N 2.85Å; E171-Q175 WeakPolarHBondContact O-CB 3.37Å; E171-Q175 PolarHBondContact O-N 3.4Å
172E86.1Confident79.7Confident131 Ų131105.6 Ų105.661%0.61251%0.512SS*.Hα-helixtrans-63.2-44.1175.5-172.9178.9177.200111.6L168 E169 M174 Q175 K176L168-E172 PolarHBondContact O-N 3.37Å; E169-E172 PolarHBondContact O-N 3.18Å; E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 3.47Å; E172-Q175 PolarHBondContact O-N 2.76Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 3.43Å
173A83.9Confident78.7Confident50 Ų50101.7 Ų101.741%0.41351%0.51SS..Hα-helixtrans-61.7-41.5175.600000111.8E169 K176 I177E169-A173 WeakPolarHBondContact O-CB 3.38Å; E169-A173 PolarHBondContact O-N 3.47Å; A173-K176 PolarHBondContact O-N 2.73Å; A173-I177 VanDerWaalsContact O-CG1 3.27Å; A173-I177 WeakPolarHBondContact O-CG1 3.43Å; A173-I177 PolarHBondContact O-N 2.82Å
174M76.1Confident77.6Confident102 Ų102102.8 Ų102.850%0.50252%0.517SS..Hα-helixtrans-65.7-41.5176.1-172.1176.97200111.4T170 E171 E172 K176 I177 L178T170-M174 VanDerWaalsContact O-CB 3.27Å; T170-M174 WeakPolarHBondContact O-CB 3.39Å; T170-M174 PolarHBondContact O-N 3.3Å; E171-M174 PolarHBondContact O-N 2.85Å; E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 3.47Å; M174-K176 VanDerWaalsContact C-N 3.32Å; M174-K176 PolarHBondContact O-N 2.81Å; M174-I177 PolarHBondContact O-N 3.07Å; M174-L178 HydrophobicContact CG-CD1 4.33Å; M174-L178 WeakPolarHBondContact O-CG 3.35Å; M174-L178 PolarHBondContact O-N 3.46Å
175Q83.9Confident76.2Confident130 Ų130101.1 Ų101.161%0.60752%0.52SS*.Hα-helixtrans-62-41.2176.2-172.1171.90.800111.4E171 E172 L178 E179E171-Q175 WeakPolarHBondContact O-CB 3.37Å; E171-Q175 PolarHBondContact O-N 3.4Å; E172-Q175 PolarHBondContact O-N 2.76Å; Q175-L178 PolarHBondContact O-N 3.41Å; Q175-E179 WeakPolarHBondContact O-CB 3.24Å; Q175-E179 PolarHBondContact O-N 3.44Å
176K81Confident74.6Confident158 Ų158101.7 Ų101.769%0.68753%0.532SS*.Hα-helixtrans-64.4-38.9175.2-170.6176.8-178.2179.60112.8E172 A173 M174 E179 G180E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 3.43Å; A173-K176 PolarHBondContact O-N 2.73Å; M174-K176 VanDerWaalsContact C-N 3.32Å; M174-K176 PolarHBondContact O-N 2.81Å; K176-E179 PolarHBondContact O-N 3.45Å; K176-G180 PolarHBondContact O-N 3.38Å
177I74.4Confident73.5Confident29 Ų29101 Ų10115%0.14953%0.534CS..Hα-helixtrans-66.3-40.5174.8-66.7163.1000110.5A173 M174 G180 L181 F195A173-I177 VanDerWaalsContact O-CG1 3.27Å; A173-I177 WeakPolarHBondContact O-CG1 3.43Å; A173-I177 PolarHBondContact O-N 2.82Å; M174-I177 PolarHBondContact O-N 3.07Å; I177-G180 PolarHBondContact O-N 3.07Å; I177-L181 HydrophobicContact CG2-CD1 3.93Å; I177-L181 HydrophobicContact CG2-CG 4.44Å; I177-L181 WeakPolarHBondContact O-CB 3.28Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 3.13Å; I177-F195 HydrophobicContact CG2-CD2 4.35Å
178L75.7Confident72.3Confident102 Ų102100.3 Ų100.353%0.53453%0.531SS..Hα-helixtrans-65.4-41.1176.7-71.3169.2000111.8M174 Q175 L181 E182M174-L178 HydrophobicContact CG-CD1 4.33Å; M174-L178 WeakPolarHBondContact O-CG 3.35Å; M174-L178 PolarHBondContact O-N 3.46Å; Q175-L178 PolarHBondContact O-N 3.41Å; L178-L181 PolarHBondContact O-N 2.81Å; L178-E182 WeakPolarHBondContact O-CB 3.47Å; L178-E182 PolarHBondContact O-N 3.4Å
179E79.9Confident71.2Confident130 Ų130101.6 Ų101.661%0.60754%0.538SS*.Hα-helixtrans-64.9-39174.4-171.4175.4-167.700111.7Q175 K176 E182 S183Q175-E179 WeakPolarHBondContact O-CB 3.24Å; Q175-E179 PolarHBondContact O-N 3.44Å; K176-E179 PolarHBondContact O-N 3.45Å; E179-E182 PolarHBondContact O-N 3.24Å; E179-S183 WeakPolarHBondContact O-CB 3.36Å; E179-S183 PolarHBondContact O-N 3.26Å; E179-S183 PolarHBondContact O-OG 2.91Å
180G70.3Confident70.3Confident30 Ų3099 Ų9931%0.30953%0.531SS..Hα-helixtrans-63.9-40.2172.300000113K176 I177 S183 D184K176-G180 PolarHBondContact O-N 3.38Å; I177-G180 PolarHBondContact O-N 3.07Å; G180-S183 WeakPolarHBondContact CA-OG 3.31Å; G180-S183 PolarHBondContact O-OG 3.34Å; G180-D184 WeakPolarHBondContact O-CB 3.5Å; G180-D184 PolarHBondContact O-N 3.26Å
181L61Low69.5Low65 Ų6596.8 Ų96.834%0.3452%0.52SS..Hα-helixtrans-71.2-33.7175.9-74.9166.5000112.7I177 L178 A191I177-L181 HydrophobicContact CG2-CD1 3.93Å; I177-L181 HydrophobicContact CG2-CG 4.44Å; I177-L181 WeakPolarHBondContact O-CB 3.28Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 3.13Å; L178-L181 PolarHBondContact O-N 2.81Å; L181-A191 HydrophobicContact CD2-CB 3.5Å; L181-A191 VanDerWaalsContact CD2-CB 3.5Å; L181-A191 HydrophobicContact CG-CB 4.04Å
182E67Low68.9Low168 Ų16899.4 Ų99.479%0.78553%0.525SS*.Hα-helixtrans-71.4-35.5176.1-174.1170-171.900111.7L178 E179L178-E182 WeakPolarHBondContact O-CB 3.47Å; L178-E182 PolarHBondContact O-N 3.4Å; E179-E182 PolarHBondContact O-N 3.24Å
183S62.1Low68.3Low86 Ų8698 Ų9860%0.60152%0.521SS*.Hα-helixtrans-83.7-36.3178.6530000114.2E179 G180E179-S183 WeakPolarHBondContact O-CB 3.36Å; E179-S183 PolarHBondContact O-N 3.26Å; E179-S183 PolarHBondContact O-OG 2.91Å; G180-S183 WeakPolarHBondContact CA-OG 3.31Å; G180-S183 PolarHBondContact O-OG 3.34Å
184D56Low68Low97 Ų97101 Ų10152%0.51953%0.527SS..  trans-112.361.2-174.9-87.6-16.7000113.2G180 V186 S187G180-D184 WeakPolarHBondContact O-CB 3.5Å; G180-D184 PolarHBondContact O-N 3.26Å; D184-V186 PolarHBondContact O-N 3.49Å; D184-S187 PolarHBondContact O-N 2.84Å
185N53.9Low67.9Low129 Ų129100.7 Ų100.769%0.6952%0.523SS*.THydrogen-bonded Turntrans-59.810.6169-141-22.7000114.1
186V54.7Low67.6Low141 Ų141100.3 Ų100.386%0.85552%0.521SS*.THydrogen-bonded Turntrans-116.3-15.5179.4-177.20000112.7D184D184-V186 PolarHBondContact O-N 3.49Å
187S58.1Low67.6Low49 Ų4999.8 Ų99.834%0.34352%0.521SS..  trans-113.940.8-176.6-163.50000113.4D184 N189 T190D184-S187 PolarHBondContact O-N 2.84Å; S187-N189 PolarHBondContact O-N 3.35Å; S187-T190 PolarHBondContact O-N 2.84Å; S187-T190 PolarHBondContact OG-OG1 3.45Å
188N59.3Low67.7Low85 Ų85100.5 Ų100.546%0.45553%0.531SS..Hα-helixtrans-54.8-19.4-173.3-72.8-31000115.8R192N188-R192 VanDerWaalsContact O-CB 3.32Å; N188-R192 WeakPolarHBondContact O-CB 3.34Å
189N64.5Low67.8Low129 Ų129100 Ų10069%0.6953%0.528SS*.Hα-helixtrans-87.7-33.8-175.7-57.5-18.9000112.3S187 N193S187-N189 PolarHBondContact O-N 3.35Å; N189-N193 PolarHBondContact O-N 3.32Å; N189-N193 PolarHBondContact O-ND2 3.31Å
190T65.9Low67.8Low78 Ų7896.4 Ų96.448%0.47952%0.521SS..Hα-helixtrans-78.2-47.8-175.4-40.50000110.6S187 R192 N193 E194S187-T190 PolarHBondContact O-N 2.84Å; S187-T190 PolarHBondContact OG-OG1 3.45Å; T190-R192 VanDerWaalsContact C-N 3.26Å; T190-R192 PolarHBondContact O-N 3.42Å; T190-N193 PolarHBondContact O-N 2.87Å; T190-N193 VanDerWaalsContact O-N 3.09Å; T190-E194 PolarHBondContact O-N 3.28Å
191A63.4Low68.3Low20 Ų2098.3 Ų98.317%0.16553%0.53CS..Hα-helixtrans-62.4-33.1177.600000112.6L181 N193 F195L181-A191 HydrophobicContact CD2-CB 3.5Å; L181-A191 VanDerWaalsContact CD2-CB 3.5Å; L181-A191 HydrophobicContact CG-CB 4.04Å; A191-N193 VanDerWaalsContact C-N 3.35Å; A191-F195 VanDerWaalsContact O-CB 3.31Å; A191-F195 WeakPolarHBondContact O-CB 3.18Å; A191-F195 PolarHBondContact O-N 2.93Å
192R69.6Low68.8Low179 Ų17999 Ų9968%0.67553%0.533SS*.Hα-helixtrans-67-35.6175.8-172.9178.2171.8120.20.3112.4N188 T190 Q196N188-R192 VanDerWaalsContact O-CB 3.32Å; N188-R192 WeakPolarHBondContact O-CB 3.34Å; T190-R192 VanDerWaalsContact C-N 3.26Å; T190-R192 PolarHBondContact O-N 3.42Å; R192-Q196 VanDerWaalsContact O-CB 3.3Å; R192-Q196 WeakPolarHBondContact O-CB 3.18Å; R192-Q196 PolarHBondContact O-N 2.9Å
193N73.4Confident69.4Low101 Ų10197.3 Ų97.354%0.5452%0.523SS..Hα-helixtrans-70-44.1177.1-71.1-23.3000111.3N189 T190 A191 F195 Q196 E197N189-N193 PolarHBondContact O-N 3.32Å; N189-N193 PolarHBondContact O-ND2 3.31Å; T190-N193 PolarHBondContact O-N 2.87Å; T190-N193 VanDerWaalsContact O-N 3.09Å; A191-N193 VanDerWaalsContact C-N 3.35Å; N193-F195 VanDerWaalsContact C-N 3.33Å; N193-F195 PolarHBondContact O-N 3Å; N193-Q196 PolarHBondContact O-N 3.5Å; N193-E197 WeakPolarHBondContact O-CB 3.3Å; N193-E197 PolarHBondContact O-N 3.27Å
194E76.9Confident70.2Confident114 Ų114102.6 Ų102.653%0.53353%0.53SS..Hα-helixtrans-61.9-42.3175.4-67.7-178.3178.200111.4T190 Q196 E197 A198T190-E194 PolarHBondContact O-N 3.28Å; E194-Q196 PolarHBondContact O-N 3.24Å; E194-E197 PolarHBondContact O-N 3Å; E194-A198 WeakPolarHBondContact O-CB 3.26Å; E194-A198 PolarHBondContact O-N 2.93Å
195F74.1Confident70.9Confident95 Ų95101.2 Ų101.242%0.41752%0.522SS..Hα-helixtrans-62.3-42.9174.6-175.7-99000112I177 A191 N193 E197 A198 L199I177-F195 HydrophobicContact CG2-CD2 4.35Å; A191-F195 VanDerWaalsContact O-CB 3.31Å; A191-F195 WeakPolarHBondContact O-CB 3.18Å; A191-F195 PolarHBondContact O-N 2.93Å; N193-F195 VanDerWaalsContact C-N 3.33Å; N193-F195 PolarHBondContact O-N 3Å; F195-E197 VanDerWaalsContact C-N 3.33Å; F195-E197 PolarHBondContact O-N 3.45Å; F195-A198 PolarHBondContact O-N 3Å; F195-L199 HydrophobicContact CD1-CD1 4.46Å; F195-L199 HydrophobicContact CE1-CD1 3.7Å; F195-L199 HydrophobicContact CZ-CD1 4.11Å; F195-L199 WeakPolarHBondContact O-CB 3.21Å; F195-L199 PolarHBondContact O-N 3.5Å
196Q78.1Confident71.9Confident122 Ų12298.8 Ų98.857%0.5751%0.512SS*.Hα-helixtrans-66.8-36.3178.9-172.1172.9-1.100111.9R192 N193 E194 L199 A200R192-Q196 VanDerWaalsContact O-CB 3.3Å; R192-Q196 WeakPolarHBondContact O-CB 3.18Å; R192-Q196 PolarHBondContact O-N 2.9Å; N193-Q196 PolarHBondContact O-N 3.5Å; E194-Q196 PolarHBondContact O-N 3.24Å; Q196-L199 PolarHBondContact O-N 2.89Å; Q196-A200 VanDerWaalsContact O-CB 3.31Å; Q196-A200 WeakPolarHBondContact O-CB 3.29Å; Q196-A200 PolarHBondContact O-N 3.32Å
197E80.9Confident72.9Confident147 Ų14796.7 Ų96.769%0.68750%0.496SS*.Hα-helixtrans-67.6-43174.6-172169.4-171.300111.7N193 E194 F195 L199 A200 S201N193-E197 WeakPolarHBondContact O-CB 3.3Å; N193-E197 PolarHBondContact O-N 3.27Å; E194-E197 PolarHBondContact O-N 3Å; F195-E197 VanDerWaalsContact C-N 3.33Å; F195-E197 PolarHBondContact O-N 3.45Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 3.3Å; E197-A200 PolarHBondContact O-N 3.03Å; E197-S201 PolarHBondContact O-N 3.3Å; E197-S201 PolarHBondContact O-OG 3.43Å
198A77.2Confident73.6Confident43 Ų43100.1 Ų100.136%0.35551%0.51SS..Hα-helixtrans-63-38.8174.300000112.3E194 F195 S201 L202E194-A198 WeakPolarHBondContact O-CB 3.26Å; E194-A198 PolarHBondContact O-N 2.93Å; F195-A198 PolarHBondContact O-N 3Å; A198-S201 WeakPolarHBondContact CA-OG 3.23Å; A198-S201 PolarHBondContact O-N 3.16Å; A198-S201 PolarHBondContact O-OG 3.02Å; A198-L202 WeakPolarHBondContact O-CB 3.42Å; A198-L202 PolarHBondContact O-N 3.2Å
199L78.2Confident74Confident91 Ų9198.6 Ų98.648%0.47650%0.504SS..Hα-helixtrans-70.2-37.8176.8-150.4164.2000111F195 Q196 E197 L202 K203F195-L199 HydrophobicContact CD1-CD1 4.46Å; F195-L199 HydrophobicContact CE1-CD1 3.7Å; F195-L199 HydrophobicContact CZ-CD1 4.11Å; F195-L199 WeakPolarHBondContact O-CB 3.21Å; F195-L199 PolarHBondContact O-N 3.5Å; Q196-L199 PolarHBondContact O-N 2.89Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 3.3Å; L199-L202 PolarHBondContact O-N 3.26Å; L199-K203 WeakPolarHBondContact O-CB 3.18Å; L199-K203 PolarHBondContact O-N 3.06Å
200A80.4Confident74Confident55 Ų5594.7 Ų94.746%0.45549%0.489SS..Hα-helixtrans-66.8-38.317500000112.4Q196 E197 R204Q196-A200 VanDerWaalsContact O-CB 3.31Å; Q196-A200 WeakPolarHBondContact O-CB 3.29Å; Q196-A200 PolarHBondContact O-N 3.32Å; E197-A200 PolarHBondContact O-N 3.03Å; A200-R204 PolarHBondContact O-N 3.07Å
201S79.1Confident73.7Confident71 Ų7192.4 Ų92.450%0.49748%0.482SS..Hα-helixtrans-68.8-40.8175.871.10000111.4E197 A198 R204 L205E197-S201 PolarHBondContact O-N 3.3Å; E197-S201 PolarHBondContact O-OG 3.43Å; A198-S201 WeakPolarHBondContact CA-OG 3.23Å; A198-S201 PolarHBondContact O-N 3.16Å; A198-S201 PolarHBondContact O-OG 3.02Å; S201-R204 PolarHBondContact O-N 2.98Å; S201-L205 WeakPolarHBondContact O-CB 3.37Å; S201-L205 PolarHBondContact O-N 3.41Å
202L71.7Confident73.7Confident79 Ų7998.2 Ų98.241%0.41450%0.503SS..Hα-helixtrans-59.6-48.7173.5-172.972.3000110.9A198 L199 R204 L205 T206A198-L202 WeakPolarHBondContact O-CB 3.42Å; A198-L202 PolarHBondContact O-N 3.2Å; L199-L202 PolarHBondContact O-N 3.26Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.28Å; L202-L205 PolarHBondContact O-N 2.88Å; L202-L205 VanDerWaalsContact O-N 3.12Å; L202-T206 PolarHBondContact O-N 2.96Å; L202-T206 PolarHBondContact O-OG1 3Å
203K80.2Confident73Confident133 Ų13395.5 Ų95.558%0.57850%0.501SS*.Hα-helixtrans-59.3-43.9178.3-172.6176.1-179.2-179.50111.7L199 L205 T206 D207L199-K203 WeakPolarHBondContact O-CB 3.18Å; L199-K203 PolarHBondContact O-N 3.06Å; K203-L205 VanDerWaalsContact C-N 3.33Å; K203-L205 PolarHBondContact O-N 3.03Å; K203-T206 PolarHBondContact O-N 3.41Å; K203-D207 WeakPolarHBondContact O-CB 3.42Å; K203-D207 VanDerWaalsContact O-CG 3.25Å; K203-D207 PolarHBondContact O-N 2.82Å
204R79.5Confident72Confident197 Ų19795.8 Ų95.874%0.74350%0.503SS*.Hα-helixtrans-61.7-39.6175.3-84.4-172.8160.3156.7-2.3112.7A200 S201 L202 L208A200-R204 PolarHBondContact O-N 3.07Å; S201-R204 PolarHBondContact O-N 2.98Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.28Å; R204-L208 WeakPolarHBondContact O-CB 3.06Å; R204-L208 PolarHBondContact O-N 3.21Å
205L70.5Confident70.6Confident68 Ų6894.1 Ų94.136%0.35650%0.503SS..Hα-helixtrans-71.9-39.1178.9-17166.1000111.7S201 L202 K203 L208 T209S201-L205 WeakPolarHBondContact O-CB 3.37Å; S201-L205 PolarHBondContact O-N 3.41Å; L202-L205 PolarHBondContact O-N 2.88Å; L202-L205 VanDerWaalsContact O-N 3.12Å; K203-L205 VanDerWaalsContact C-N 3.33Å; K203-L205 PolarHBondContact O-N 3.03Å; L205-L208 PolarHBondContact O-N 2.92Å; L205-T209 VanDerWaalsContact O-CB 3.32Å; L205-T209 WeakPolarHBondContact O-CB 3.2Å; L205-T209 PolarHBondContact O-N 2.66Å; L205-T209 PolarHBondContact O-OG1 2.8Å
206T73.4Confident69.3Low77 Ų7796.6 Ų96.647%0.47252%0.515SS..Hα-helixtrans-64.1-42.8173.3-55.20000110.9L202 K203 T209 A210L202-T206 PolarHBondContact O-N 2.96Å; L202-T206 PolarHBondContact O-OG1 3Å; K203-T206 PolarHBondContact O-N 3.41Å; T206-T209 PolarHBondContact O-N 2.85Å; T206-A210 WeakPolarHBondContact O-CB 3.33Å; T206-A210 PolarHBondContact O-N 3.49Å
207D75.6Confident67.9Low97 Ų9799.9 Ų99.952%0.51953%0.528SS..Hα-helixtrans-65.8-38.5176.4-72.4-17.2000111.5K203 G211K203-D207 WeakPolarHBondContact O-CB 3.42Å; K203-D207 VanDerWaalsContact O-CG 3.25Å; K203-D207 PolarHBondContact O-N 2.82Å; D207-G211 WeakPolarHBondContact O-CA 3.22Å; D207-G211 PolarHBondContact O-N 3.46Å
208L73.5Confident66.3Low121 Ų12199.4 Ų99.463%0.63453%0.526SS*.Hα-helixtrans-65.6-38.9172.2-99.6154.3000112.4R204 L205 K212R204-L208 WeakPolarHBondContact O-CB 3.06Å; R204-L208 PolarHBondContact O-N 3.21Å; L205-L208 PolarHBondContact O-N 2.92Å; L208-K212 WeakPolarHBondContact O-CB 3.12Å; L208-K212 PolarHBondContact O-N 3.36Å
209T67.8Low65Low53 Ų53105.3 Ų105.333%0.32555%0.546SS..Hα-helixtrans-74.2-43.8-179.8-56.80000110.9L205 T206 K212 L213L205-T209 VanDerWaalsContact O-CB 3.32Å; L205-T209 WeakPolarHBondContact O-CB 3.2Å; L205-T209 PolarHBondContact O-N 2.66Å; L205-T209 PolarHBondContact O-OG1 2.8Å; T206-T209 PolarHBondContact O-N 2.85Å; T209-K212 PolarHBondContact O-N 2.81Å; T209-L213 HydrophobicContact CG2-CD1 4.09Å; T209-L213 VanDerWaalsContact O-CB 3.31Å; T209-L213 WeakPolarHBondContact O-CB 3.08Å; T209-L213 WeakPolarHBondContact O-CG 3.36Å; T209-L213 PolarHBondContact O-N 3.49Å
210A64.3Low63.2Low47 Ų47106.3 Ų106.339%0.38856%0.561SS.*Hα-helixtrans-63.8-43.617400000110.9T206 L213 L214T206-A210 WeakPolarHBondContact O-CB 3.33Å; T206-A210 PolarHBondContact O-N 3.49Å; A210-L213 PolarHBondContact O-N 2.83Å; A210-L214 WeakPolarHBondContact O-CB 3.37Å; A210-L214 PolarHBondContact O-N 3.29Å
211G60.2Low61.1Low31 Ų31114.1 Ų114.132%0.3258%0.578SS.*Hα-helixtrans-63.9-43.2175.300000112.6D207 L214 C215D207-G211 WeakPolarHBondContact O-CA 3.22Å; D207-G211 PolarHBondContact O-N 3.46Å; G211-L214 PolarHBondContact O-N 3.36Å; G211-C215 PolarHBondContact O-N 3.2Å; G211-C215 PolarHBondContact O-SG 3.41Å
212K64Low59.3Low142 Ų142116.1 Ų116.162%0.61759%0.59SS**Hα-helixtrans-70.5-32.8178.2-166.6174.1-176.9-177.50112.7L208 T209 H216L208-K212 WeakPolarHBondContact O-CB 3.12Å; L208-K212 PolarHBondContact O-N 3.36Å; T209-K212 PolarHBondContact O-N 2.81Å; K212-H216 PolarHBondContact O-N 3.38Å
213L53.8Low57.7Low121 Ų121121 Ų12163%0.63461%0.61SS**Hα-helixtrans-69.7-36.1170.6-73.9170.1000111.7T209 A210 F217T209-L213 HydrophobicContact CG2-CD1 4.09Å; T209-L213 VanDerWaalsContact O-CB 3.31Å; T209-L213 WeakPolarHBondContact O-CB 3.08Å; T209-L213 WeakPolarHBondContact O-CG 3.36Å; T209-L213 PolarHBondContact O-N 3.49Å; A210-L213 PolarHBondContact O-N 2.83Å; L213-F217 PolarHBondContact O-N 3.44Å
214L52.7Low55.8Low108 Ų108119.3 Ų119.357%0.56561%0.613SS**Hα-helixtrans-68.1-44.8174.4-125.499.6000111.5A210 G211 H216 F217 E218A210-L214 WeakPolarHBondContact O-CB 3.37Å; A210-L214 PolarHBondContact O-N 3.29Å; G211-L214 PolarHBondContact O-N 3.36Å; L214-H216 VanDerWaalsContact C-N 3.26Å; L214-H216 PolarHBondContact O-N 2.86Å; L214-F217 PolarHBondContact O-N 3.27Å; L214-E218 VanDerWaalsContact O-CB 3.31Å; L214-E218 WeakPolarHBondContact O-CB 3.34Å; L214-E218 PolarHBondContact O-N 2.74Å
215C47.3Very low53.5Low79 Ų79114.9 Ų114.953%0.53461%0.612SS.*Hα-helixtrans-61.3-34.6178.4-67.10000112.2G211 F217 E219G211-C215 PolarHBondContact O-N 3.2Å; G211-C215 PolarHBondContact O-SG 3.41Å; C215-F217 VanDerWaalsContact C-N 3.33Å; C215-E219 WeakPolarHBondContact O-CB 3.21Å; C215-E219 PolarHBondContact O-N 2.78Å
216H47.6Very low52.2Low147 Ų147119.7 Ų119.768%0.68164%0.638SS**Hα-helixtrans-78.1-17176.4-155.8-67.8000113.5K212 L214K212-H216 PolarHBondContact O-N 3.38Å; L214-H216 VanDerWaalsContact C-N 3.26Å; L214-H216 PolarHBondContact O-N 2.86Å
217F47.8Very low50.7Low190 Ų190124.8 Ų124.883%0.83366%0.656SS**Hα-helixtrans-92.7-26.3174.9-143.8-92000112.5L213 L214 C215L213-F217 PolarHBondContact O-N 3.44Å; L214-F217 PolarHBondContact O-N 3.27Å; C215-F217 VanDerWaalsContact C-N 3.33Å
218E48.2Very low49.8Very low138 Ų138124.9 Ų124.965%0.64566%0.662SS**Hα-helixtrans-88.2-22.4-178.6-162.6167.5-178.700113.1L214 S220L214-E218 VanDerWaalsContact O-CB 3.31Å; L214-E218 WeakPolarHBondContact O-CB 3.34Å; L214-E218 PolarHBondContact O-N 2.74Å; E218-S220 PolarHBondContact O-N 2.67Å; E218-S220 VanDerWaalsContact O-N 3.14Å
219E49.2Very low49.1Very low167 Ų167123.1 Ų123.178%0.7865%0.653SS**SBendtrans-79.212.8178.3-165.1152.4-168.600114.5C215C215-E219 WeakPolarHBondContact O-CB 3.21Å; C215-E219 PolarHBondContact O-N 2.78Å
220S40.9Very low49.5Very low112 Ų112126.5 Ų126.578%0.78367%0.668SS**SBendtrans-106.843.9165.2-66.10000112.2E218E218-S220 PolarHBondContact O-N 2.67Å; E218-S220 VanDerWaalsContact O-N 3.14Å
221R36.8Very low49.9Very low218 Ų218129.4 Ų129.482%0.82367%0.673SS**  trans-152.4132.3160.2-122.7-174.8-173.1172.82.9104.8
222P40.2Very low50.7Low114 Ų114132.9 Ų132.974%0.7469%0.685SS**  -148.2154.363.735.3-14.2000112.4
223Q37.9Very low51.3Low181 Ų181131.7 Ų131.785%0.84668%0.684SS**  163164.796.8-103.3-133.34.700109.4
224P40.4Very low52.5Low97 Ų97131.1 Ų131.163%0.6368%0.681SS**  trans-99.6170-143.439.3-34.8000114.5
225S31.6Very low53.8Low105 Ų105131.6 Ų131.673%0.73468%0.68SS**  trans59.292.9162.363.40000117
226L44.3Very low55.6Low169 Ų169133 Ų13389%0.88568%0.683SS**  trans-160.4108.3131.8-124.377.3000104.7P228L226-P228 VanDerWaalsContact O-CD 3.24Å; L226-P228 WeakPolarHBondContact O-CD 3.48Å
227E41.8Very low57Low184 Ų184131.1 Ų131.186%0.8668%0.677SS**  trans-55120.2168.7-90.2-169.4123.800107.6N229E227-N229 PolarHBondContact O-N 3.47Å; E227-N229 VanDerWaalsContact O-N 3.1Å
228P55.8Low58.6Low98 Ų98126.6 Ų126.664%0.63666%0.658SS**  trans-66.3112.4161.727.8-28.6000106L226 I230L226-P228 VanDerWaalsContact O-CD 3.24Å; L226-P228 WeakPolarHBondContact O-CD 3.48Å; P228-I230 PolarHBondContact O-N 3.22Å
229N58.5Low60.2Low85 Ų85123.9 Ų123.946%0.45565%0.648SS.*  trans-55.4134.2-178.7-14715.1000108.4E227 E231 D232 L233E227-N229 PolarHBondContact O-N 3.47Å; E227-N229 VanDerWaalsContact O-N 3.1Å; N229-E231 WeakPolarHBondContact CB-OE2 3.36Å; N229-E231 PolarHBondContact ND2-OE2 2.78Å; N229-E231 PolarHBondContact O-N 3.34Å; N229-E231 PolarHBondContact OD1-OE2 2.77Å; N229-D232 PolarHBondContact O-N 3.16Å; N229-L233 PolarHBondContact O-N 3.46Å
230I75.3Confident61.6Low124 Ų124119.3 Ų119.364%0.63663%0.632SS**Hα-helixtrans-57.1-27.4-174.6-64.3169.3000110.8P228 L233 L234P228-I230 PolarHBondContact O-N 3.22Å; I230-L233 PolarHBondContact O-N 3.26Å; I230-L234 HydrophobicContact CG2-CD1 4.15Å; I230-L234 HydrophobicContact CG2-CG 4.45Å; I230-L234 WeakPolarHBondContact O-CB 3.3Å; I230-L234 WeakPolarHBondContact O-CG 3.45Å; I230-L234 PolarHBondContact O-N 2.85Å
231E73.3Confident63.2Low108 Ų108117.2 Ų117.251%0.50561%0.612SS.*Hα-helixtrans-67.2-39.6176.8-58.277.7-17800112N229 L233 L234 H235N229-E231 WeakPolarHBondContact CB-OE2 3.36Å; N229-E231 PolarHBondContact ND2-OE2 2.78Å; N229-E231 PolarHBondContact O-N 3.34Å; N229-E231 PolarHBondContact OD1-OE2 2.77Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-L234 PolarHBondContact O-N 3.43Å; E231-H235 VanDerWaalsContact O-CB 3.23Å; E231-H235 WeakPolarHBondContact O-CB 2.7Å; E231-H235 PolarHBondContact O-N 3.36Å
232D77.6Confident65.2Low104 Ų104112 Ų11256%0.55660%0.6SS**Hα-helixtrans-68.9-39.4176.4-67.6-23.2000109.9N229 H235 D236N229-D232 PolarHBondContact O-N 3.16Å; D232-H235 PolarHBondContact O-N 3.41Å; D232-D236 PolarHBondContact O-N 3.24Å
233L75.5Confident66.9Low117 Ų117116.6 Ų116.661%0.61360%0.602SS**Hα-helixtrans-67.6-38.6175.9-139.781.7000112.1N229 I230 E231 L237N229-L233 PolarHBondContact O-N 3.46Å; I230-L233 PolarHBondContact O-N 3.26Å; E231-L233 VanDerWaalsContact C-N 3.34Å; L233-L237 WeakPolarHBondContact O-CB 3.39Å; L233-L237 PolarHBondContact O-N 2.88Å; L233-L237 VanDerWaalsContact O-N 3.08Å
234L79.6Confident68.1Low109 Ų109115.3 Ų115.357%0.57159%0.594SS**Hα-helixtrans-68.2-37.2173.6-82172.9000111.7I230 E231 L237 E238I230-L234 HydrophobicContact CG2-CD1 4.15Å; I230-L234 HydrophobicContact CG2-CG 4.45Å; I230-L234 WeakPolarHBondContact O-CB 3.3Å; I230-L234 WeakPolarHBondContact O-CG 3.45Å; I230-L234 PolarHBondContact O-N 2.85Å; E231-L234 PolarHBondContact O-N 3.43Å; L234-L237 WeakPolarHBondContact O-CB 3.14Å; L234-L237 PolarHBondContact O-N 3.23Å; L234-E238 WeakPolarHBondContact O-CB 3.19Å; L234-E238 PolarHBondContact O-N 2.96Å
235H81Confident68.8Low117 Ų117113.9 Ų113.954%0.54260%0.597SS.*Hα-helixtrans-71.6-40.3-179.9-161.924.9000111.5E231 D232 L237 E238 N239E231-H235 VanDerWaalsContact O-CB 3.23Å; E231-H235 WeakPolarHBondContact O-CB 2.7Å; E231-H235 PolarHBondContact O-N 3.36Å; D232-H235 PolarHBondContact O-N 3.41Å; H235-L237 VanDerWaalsContact C-N 3.3Å; H235-L237 PolarHBondContact O-N 3.34Å; H235-E238 IonicContact ND1-OE2 3.82Å; H235-E238 PolarHBondContact O-N 3.1Å; H235-N239 VanDerWaalsContact O-CB 3.29Å; H235-N239 WeakPolarHBondContact O-CB 3.48Å; H235-N239 PolarHBondContact O-N 2.81Å
236D83.6Confident70Confident110 Ų110115.5 Ų115.559%0.58860%0.597SS**Hα-helixtrans-61.6-39.8170.3-92.5-4.3000111.3D232 N239 V240D232-D236 PolarHBondContact O-N 3.24Å; D236-N239 PolarHBondContact O-N 3.28Å; D236-V240 WeakPolarHBondContact O-CB 2.92Å; D236-V240 WeakPolarHBondContact O-CG2 3.31Å; D236-V240 PolarHBondContact O-N 3.34Å
237L78.4Confident70.2Confident106 Ų106109.6 Ų109.656%0.55557%0.57SS**Hα-helixtrans-64.7-43.7175.4-150.8102.9000111.5L233 L234 H235 N239 V240 L241L233-L237 WeakPolarHBondContact O-CB 3.39Å; L233-L237 PolarHBondContact O-N 2.88Å; L233-L237 VanDerWaalsContact O-N 3.08Å; L234-L237 WeakPolarHBondContact O-CB 3.14Å; L234-L237 PolarHBondContact O-N 3.23Å; H235-L237 VanDerWaalsContact C-N 3.3Å; H235-L237 PolarHBondContact O-N 3.34Å; L237-N239 VanDerWaalsContact C-N 3.34Å; L237-V240 PolarHBondContact O-N 3.4Å; L237-L241 HydrophobicContact CD2-CD1 3.85Å; L237-L241 HydrophobicContact CG-CD1 3.93Å; L237-L241 WeakPolarHBondContact O-CD1 3.4Å; L237-L241 PolarHBondContact O-N 3.44Å
238E81.4Confident70.5Confident95 Ų95109.5 Ų109.544%0.44457%0.567SS.*Hα-helixtrans-61.6-42.6175.6-175.1175.2-158.600111L234 H235 V240 L241 D242L234-E238 WeakPolarHBondContact O-CB 3.19Å; L234-E238 PolarHBondContact O-N 2.96Å; H235-E238 IonicContact ND1-OE2 3.82Å; H235-E238 PolarHBondContact O-N 3.1Å; E238-V240 VanDerWaalsContact C-N 3.32Å; E238-V240 PolarHBondContact O-N 2.7Å; E238-L241 PolarHBondContact O-N 3.37Å; E238-D242 VanDerWaalsContact O-CB 3.32Å; E238-D242 WeakPolarHBondContact O-CB 3.38Å; E238-D242 PolarHBondContact O-N 3.19Å
239N81.2Confident70.1Confident81 Ų81114 Ų11443%0.43358%0.579SS.*Hα-helixtrans-66.6-35.1178.3-153.48.7000111.7H235 D236 L237 R243H235-N239 VanDerWaalsContact O-CB 3.29Å; H235-N239 WeakPolarHBondContact O-CB 3.48Å; H235-N239 PolarHBondContact O-N 2.81Å; D236-N239 PolarHBondContact O-N 3.28Å; L237-N239 VanDerWaalsContact C-N 3.34Å; N239-R243 WeakPolarHBondContact O-CB 3.27Å; N239-R243 VanDerWaalsContact O-CG 3.3Å; N239-R243 WeakPolarHBondContact O-CG 3.25Å; N239-R243 PolarHBondContact O-N 3.18Å
240V79.2Confident69.4Low72 Ų72114.7 Ų114.744%0.43660%0.596SS.*Hα-helixtrans-68.3-44.4171.4170.40000110.7D236 L237 E238 D242 R243 F244D236-V240 WeakPolarHBondContact O-CB 2.92Å; D236-V240 WeakPolarHBondContact O-CG2 3.31Å; D236-V240 PolarHBondContact O-N 3.34Å; L237-V240 PolarHBondContact O-N 3.4Å; E238-V240 VanDerWaalsContact C-N 3.32Å; E238-V240 PolarHBondContact O-N 2.7Å; V240-D242 VanDerWaalsContact C-N 3.34Å; V240-D242 PolarHBondContact O-N 3.33Å; V240-R243 WeakPolarHBondContact O-CB 2.81Å; V240-R243 PolarHBondContact O-N 2.87Å; V240-F244 HydrophobicContact CG1-CD2 3.7Å; V240-F244 HydrophobicContact CG1-CE2 3.71Å; V240-F244 WeakPolarHBondContact O-CD2 3.39Å; V240-F244 PolarHBondContact O-N 3.27Å
241L73.1Confident67.8Low68 Ų68114.1 Ų114.136%0.35660%0.603SS.*Hα-helixtrans-65.3-35.5176.7-92.892.8000113L237 E238 F244 G245 L246L237-L241 HydrophobicContact CD2-CD1 3.85Å; L237-L241 HydrophobicContact CG-CD1 3.93Å; L237-L241 WeakPolarHBondContact O-CD1 3.4Å; L237-L241 PolarHBondContact O-N 3.44Å; E238-L241 PolarHBondContact O-N 3.37Å; L241-F244 CarbonylContact O-C 3.59Å; L241-F244 PolarHBondContact O-N 3.06Å; L241-G245 PolarHBondContact O-N 2.61Å; L241-L246 PolarHBondContact O-N 2.8Å
242D79.6Confident66.3Low108 Ų108120.8 Ų120.858%0.57862%0.624SS**Hα-helixtrans-67.2-43.1175-162.554.3000110.6E238 V240 F244 G245E238-D242 VanDerWaalsContact O-CB 3.32Å; E238-D242 WeakPolarHBondContact O-CB 3.38Å; E238-D242 PolarHBondContact O-N 3.19Å; V240-D242 VanDerWaalsContact C-N 3.34Å; V240-D242 PolarHBondContact O-N 3.33Å; D242-F244 VanDerWaalsContact C-N 3.25Å; D242-F244 PolarHBondContact O-N 3.17Å; D242-G245 PolarHBondContact O-N 2.91Å
243R76.3Confident64.6Low210 Ų210125.7 Ų125.779%0.79264%0.644SS**Hα-helixtrans-60-32.1171.2-81.5177.6171.8-125.30113.7N239 V240 G245N239-R243 WeakPolarHBondContact O-CB 3.27Å; N239-R243 VanDerWaalsContact O-CG 3.3Å; N239-R243 WeakPolarHBondContact O-CG 3.25Å; N239-R243 PolarHBondContact O-N 3.18Å; V240-R243 WeakPolarHBondContact O-CB 2.81Å; V240-R243 PolarHBondContact O-N 2.87Å; R243-G245 VanDerWaalsContact C-N 3.33Å
244F62.5Low62.8Low154 Ų154124.6 Ų124.668%0.67565%0.651SS**THydrogen-bonded Turntrans-88.84.6177.2-76.8-68.4000113.6V240 L241 D242 L246V240-F244 HydrophobicContact CG1-CD2 3.7Å; V240-F244 HydrophobicContact CG1-CE2 3.71Å; V240-F244 WeakPolarHBondContact O-CD2 3.39Å; V240-F244 PolarHBondContact O-N 3.27Å; L241-F244 CarbonylContact O-C 3.59Å; L241-F244 PolarHBondContact O-N 3.06Å; D242-F244 VanDerWaalsContact C-N 3.25Å; D242-F244 PolarHBondContact O-N 3.17Å; F244-L246 HydrophobicContact CB-CD1 4.28Å; F244-L246 PolarHBondContact O-N 3.45Å
245G54.9Low61.2Low67 Ų67125.2 Ų125.269%0.69166%0.662SS**THydrogen-bonded Turntrans63.224.6177.300000113.8L241 D242 R243L241-G245 PolarHBondContact O-N 2.61Å; D242-G245 PolarHBondContact O-N 2.91Å; R243-G245 VanDerWaalsContact C-N 3.33Å
246L57.1Low59.6Low140 Ų140129.2 Ų129.273%0.73368%0.681SS**  trans-11110.6-171.1-79.2170.1000113.7L241 F244L241-L246 PolarHBondContact O-N 2.8Å; F244-L246 HydrophobicContact CB-CD1 4.28Å; F244-L246 PolarHBondContact O-N 3.45Å
247S47.6Very low57.7Low45 Ų45133.7 Ų133.732%0.31570%0.695SS.*SBendtrans-121.2125.4176.1-161.30000109.6
248K49.6Very low56.3Low182 Ų182133.1 Ų133.179%0.79171%0.705SS**SBendtrans96.57.4162.1-99.5169.4-177.71600124
249E46.3Very low54.2Low192 Ų192135.5 Ų135.590%0.89772%0.722SS**SBendtrans-100.994.5165.2-114.288.7-142.200112
250A44Very low52.4Low99 Ų99141.8 Ų141.882%0.81875%0.745SS**SBendtrans173.94.6152.100000114.2
251S42.1Very low50.6Low112 Ų112145.2 Ų145.278%0.78376%0.761SS**SBendtrans-139.867.2-179.4-64.70000111.9
252R41.3Very low49.2Very low249 Ų249146.2 Ų146.294%0.9477%0.774SS**  trans170.488.3150.4-95.3161.1177.1-154.8-0.9111.3
253Q42Very low47.2Very low206 Ų206151.8 Ų151.896%0.96379%0.787SS**  trans-137.8102144.3-99.2-17020.900108.5
254A38.8Very low45.8Very low94 Ų94147.7 Ų147.778%0.77779%0.789SS**  trans-135.9163.4154.600000104.6
255P45.6Very low44.8Very low123 Ų123147.5 Ų147.580%0.79980%0.795SS**  cis-134.3148-3.935.9-18.4000113
256E46.5Very low44.4Very low200 Ų200152.9 Ų152.994%0.93580%0.8SS**  trans-151.4147.2155.8-145.8173.716800113.5
257K44Very low44Very low205 Ų205154 Ų15489%0.89181%0.805SS**  trans-92.9129.7-160.5-56.9164.9175.2176.10110.5
258A48.1Very low43.8Very low93 Ų93157.4 Ų157.477%0.76982%0.824SS**  trans-178.4101.5150.400000106.9
259N38.3Very low43.6Very low146 Ų146156.6 Ų156.678%0.78182%0.823SS**  51.789.583-154.5-1.1000111.9
260F44Very low43.6Very low212 Ų212154.7 Ų154.793%0.9382%0.819SS**  trans-157.792.9146.2-111-76.1000109.1
261D40.9Very low44Very low144 Ų144154.3 Ų154.377%0.7782%0.815SS**  trans-70.3162.7162.9-164-0000109.8
262S42.7Very low44.2Very low90 Ų90153.5 Ų153.563%0.62981%0.808SS**  trans94.9122.2161.7-140.90000119.6
263R38.7Very low44.3Very low224 Ų224150 Ų15085%0.84581%0.807SS**  trans80.2107.6138.9-95175.8178-168.8-0.4118.2
264C47.3Very low44.6Very low125 Ų125145.6 Ų145.685%0.84579%0.794SS**  -172.3121.684.6-94.90000111.6
265D41.9Very low44.9Very low150 Ų150151.4 Ų151.480%0.80280%0.796SS**  trans-76.8158.5169.7-112.2-24.1000111.6
266K45.9Very low44.9Very low180 Ų180152.9 Ų152.978%0.78380%0.796SS**  trans78.7121.1157.1-68.8171.2-179.5-173.20119.1
267I47.9Very low45.2Very low163 Ų163151.4 Ų151.484%0.83679%0.789SS**  169.992.5120-77.2149000104.6
268T43.9Very low45.5Very low117 Ų117150.2 Ų150.272%0.71878%0.779SS**  67.2108.488.5-54.90000113.6
269E45.9Very low45.3Very low164 Ų164152.4 Ų152.477%0.76678%0.777SS**  trans29.4116.4138.5-51.8-75.6133.800118
270D45.3Very low45.9Very low152 Ų152153.3 Ų153.381%0.81378%0.777SS**  170.9114.6118.9-83.8-27.6000111.8
271A52.7Low46.4Very low91 Ų91146 Ų14675%0.75275%0.753SS**  trans10.9168140.800000122.2
272P46.8Very low46.8Very low96 Ų96145.5 Ų145.562%0.62375%0.749SS**  cis-137.8158.1-2830.2-9.7000114.8T274P272-T274 PolarHBondContact O-N 3.1Å; P272-T274 PolarHBondContact O-OG1 3.31Å
273L42.4Very low47Very low175 Ų175149.1 Ų149.192%0.91676%0.761SS**  trans11.591.6136.2-70.8158.9000117.1
274T48.7Very low47.4Very low113 Ų113143 Ų14369%0.69375%0.752SS**  trans-154.9116331.70000116.6P272P272-T274 PolarHBondContact O-N 3.1Å; P272-T274 PolarHBondContact O-OG1 3.31Å
275R45.8Very low47.4Very low216 Ų216143.1 Ų143.182%0.81575%0.749SS**SBendtrans-107.7-12.2-172.4-102.3-178.9170.2172.5-2.4117.7
276L44.8Very low47.4Very low155 Ų155141.1 Ų141.181%0.81275%0.747SS**SBendtrans-99.5-2.7-179.3-70.2-178.3000115.3
277Q53.2Low47.2Very low169 Ų169141.9 Ų141.979%0.7975%0.753SS**SBendtrans-89.1-6.4173.9-140.5174.88.700113.4
278R50.1Low47.1Very low179 Ų179145.9 Ų145.968%0.67576%0.758SS**SBendtrans-95.9-2.1-175.6-159.7175.8-91.4138.9-8.1114.1
279L44.8Very low47Very low140 Ų140145.5 Ų145.573%0.73376%0.757SS**SBendtrans-106.4-1.1174.5-68.2175.7000113.4
280Q50.5Low47.1Very low164 Ų164143.9 Ų143.977%0.76676%0.759SS**SBendtrans-102-7.8178.7-145.8176.20.200113.1
281S54.9Low47.1Very low60 Ų60144.7 Ų144.742%0.4276%0.758SS.*SBendtrans-94.9-12.1179.650.80000115
282D48.1Very low47.2Very low132 Ų132147.7 Ų147.771%0.70676%0.76SS**THydrogen-bonded Turntrans-97.76.1-173.3-72.1-8.3000114.2
283L47.9Very low47.4Very low167 Ų167149.7 Ų149.787%0.87477%0.766SS**THydrogen-bonded Turntrans-118.110.3179-109.7132.9000114.1
284S47.6Very low47.9Very low94 Ų94145.7 Ų145.766%0.65775%0.753SS**SBendtrans-121.420.1-177.259.60000114.7
285V46.8Very low48.1Very low129 Ų129149.4 Ų149.478%0.78276%0.759SS**  trans-124.798179.2-179.20000109.4
286S41.1Very low48.4Very low108 Ų108148.2 Ų148.276%0.75576%0.76SS**SBendtrans159.478.2144.4178.70000109.5
287E41.6Very low48.9Very low195 Ų195147.4 Ų147.491%0.91176%0.755SS**  trans-173.995.3147.5-106.3167.6-179.500107.6
288R45.4Very low49.1Very low247 Ų247149.5 Ų149.593%0.93278%0.779SS**  trans-131.5145.5156.1-85.9-160.2-155.8172.18.8111.2
289P43Very low49Very low110 Ų110148 Ų14871%0.71478%0.784SS**  trans-102.9160.9-167.440.6-32.3000112.1
290T48.4Very low49.2Very low129 Ų129148.4 Ų148.479%0.79179%0.786SS**  trans175.4116.214223.90000108.6
291E45.6Very low49.2Very low170 Ų170147.6 Ų147.679%0.79479%0.787SS**  68.5115.3106.5-73-151.1133.700115.7
292L54.1Low48.8Very low154 Ų154152.7 Ų152.781%0.80681%0.809SS**  155.999.5124.4-83.3157.2000107.9
293N50.2Low48.9Very low137 Ų137154 Ų15473%0.73382%0.816SS**  85.2124.484.1-158.2-0.8000113.1
294S53.9Low49Very low92 Ų92153.1 Ų153.164%0.64381%0.812SS**  trans90.5128.1143.168.90000122.4
295K53Low49.1Very low190 Ų190157.4 Ų157.483%0.82682%0.823SS**  trans79105.1152-76.1165.4171.9175.20116.5
296K51.1Low49.2Very low191 Ų191159.5 Ų159.583%0.8383%0.826SS**  53.3115.261.7-156-168.3-177.8-179.10111.6
297I56.6Low49.9Very low139 Ų139163.8 Ų163.871%0.71383%0.832SS**  165.1123.7119.5-80.4158.4000108.6
298V56Low50.7Low212 Ų212161 Ų161100%1.28582%0.824SS**  trans72.50165.4-177.20000117.2

Retrieved 298 of 298 residues in 266.3 ms (Link to these results)