A0A087WX95_HUMAN Loading...

RUN and SH3 domain containing 1

AlphaFold DB , UniProt , Accession A0A087WX95, Species HUMAN (Homo sapiens, Human), Gene RUSC1, Length 271 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
1M49.8Very low62.1Low220 Ų220105.9 Ų105.9100%1.08462%0.622SS**  0-24.10-78.6-171.1-166.800114
2A52.4Low63.6Low79 Ų79103 Ų10365%0.65360%0.598SS**Hα-helixtrans-73.4-33.5-178.600000115.2A4 Q5 S6A2-A4 PolarHBondContact O-N 3.37Å; A2-Q5 PolarHBondContact O-N 3.46Å; A2-S6 PolarHBondContact O-N 3.31Å
3E48.6Very low65.2Low178 Ų178103.2 Ų103.283%0.83259%0.59SS**Hα-helixtrans-68.7-33.5-177.6-71.3-175.8118.300113.9Q5 S6 G7E3-Q5 VanDerWaalsContact C-N 3.31Å; E3-Q5 PolarHBondContact O-N 3.38Å; E3-S6 PolarHBondContact O-N 2.84Å; E3-G7 PolarHBondContact O-N 2.96Å
4A51.6Low66.7Low75 Ų75103.4 Ų103.462%0.6258%0.584SS**Hα-helixtrans-69.1-28.8179.100000112.9A2 T8A2-A4 PolarHBondContact O-N 3.37Å; A4-T8 WeakPolarHBondContact O-CG2 3.35Å; A4-T8 PolarHBondContact O-OG1 3.32Å
5Q53.7Low68.1Low151 Ų15196.8 Ų96.871%0.70655%0.546SS*.Hα-helixtrans-79.6-28.4176.2-69.9178.9-11.900112.4A2 E3 T8 G9A2-Q5 PolarHBondContact O-N 3.46Å; E3-Q5 VanDerWaalsContact C-N 3.31Å; E3-Q5 PolarHBondContact O-N 3.38Å; Q5-T8 PolarHBondContact O-OG1 3.33Å; Q5-T8 VanDerWaalsContact O-OG1 3.08Å; Q5-G9 PolarHBondContact O-N 2.85Å
6S59.7Low69.4Low81 Ų8193.9 Ų93.957%0.56653%0.526SS*.Hα-helixtrans-69.8-42.9175.5-178.20000111.8A2 E3 G9 Q10A2-S6 PolarHBondContact O-N 3.31Å; E3-S6 PolarHBondContact O-N 2.84Å; S6-G9 PolarHBondContact O-N 2.88Å; S6-Q10 PolarHBondContact O-N 2.89Å; S6-Q10 VanDerWaalsContact O-N 3.15Å
7G64.6Low70.6Confident41 Ų4190.6 Ų90.642%0.42352%0.517SS..Hα-helixtrans-67.1-35.7179.700000114.4E3 L11E3-G7 PolarHBondContact O-N 2.96Å; G7-L11 PolarHBondContact O-N 3.29Å; G7-L11 VanDerWaalsContact O-N 3.16Å
8T69.2Low71.8Confident92 Ų9287 Ų8756%0.56450%0.496SS*.Hα-helixtrans-70.5-38.2176.452.70000112.1A4 Q5 L11 Q12A4-T8 WeakPolarHBondContact O-CG2 3.35Å; A4-T8 PolarHBondContact O-OG1 3.32Å; Q5-T8 PolarHBondContact O-OG1 3.33Å; Q5-T8 VanDerWaalsContact O-OG1 3.08Å; T8-L11 PolarHBondContact O-N 2.96Å; T8-Q12 WeakPolarHBondContact O-CB 3.03Å; T8-Q12 PolarHBondContact O-N 3.35Å
9G74.8Confident72.8Confident36 Ų3684.2 Ų84.237%0.37148%0.479SS..Hα-helixtrans-62.5-43.417500000112.8Q5 S6 Q12 E13Q5-G9 PolarHBondContact O-N 2.85Å; S6-G9 PolarHBondContact O-N 2.88Å; G9-Q12 PolarHBondContact O-N 2.9Å; G9-E13 PolarHBondContact O-N 2.96Å
10Q78.9Confident73.8Confident144 Ų14483.8 Ų83.867%0.67347%0.474SS*.Hα-helixtrans-67.2-41.3178.7-167.7176200112.5S6 Q12 E13 Q14S6-Q10 PolarHBondContact O-N 2.89Å; S6-Q10 VanDerWaalsContact O-N 3.15Å; Q10-Q12 VanDerWaalsContact C-N 3.33Å; Q10-Q12 PolarHBondContact O-N 3.26Å; Q10-E13 PolarHBondContact O-N 3.1Å; Q10-Q14 PolarHBondContact O-N 3.31Å
11L79.8Confident74.9Confident68 Ų6881.8 Ų81.836%0.35647%0.468SS..Hα-helixtrans-62.3-41.7174.5-177.569000111.5G7 T8 E13 Q14 K15G7-L11 PolarHBondContact O-N 3.29Å; G7-L11 VanDerWaalsContact O-N 3.16Å; T8-L11 PolarHBondContact O-N 2.96Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 2.72Å; L11-Q14 PolarHBondContact O-N 3.36Å; L11-K15 WeakPolarHBondContact O-CG 3.44Å; L11-K15 PolarHBondContact O-N 3.42Å
12Q79.9Confident77.1Confident71 Ų7172.6 Ų72.633%0.33243%0.425SS..Hα-helixtrans-64-40.2177.1-168.7177.7-11.700111.2T8 G9 Q10 K15 K16 A161T8-Q12 WeakPolarHBondContact O-CB 3.03Å; T8-Q12 PolarHBondContact O-N 3.35Å; G9-Q12 PolarHBondContact O-N 2.9Å; Q10-Q12 VanDerWaalsContact C-N 3.33Å; Q10-Q12 PolarHBondContact O-N 3.26Å; Q12-K15 PolarHBondContact O-N 3.31Å; Q12-K16 WeakPolarHBondContact O-CG 2.96Å; Q12-K16 PolarHBondContact O-N 3.48Å; Q12-A161 HydrophobicContact CG-CB 4.33Å
13E84.1Confident79.1Confident105 Ų10570.2 Ų70.249%0.49140%0.403SS..Hα-helixtrans-65.8-40.8176.5-162.756.8-14200112.5G9 Q10 L11 K15 K16 G17G9-E13 PolarHBondContact O-N 2.96Å; Q10-E13 PolarHBondContact O-N 3.1Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 2.72Å; E13-K15 VanDerWaalsContact C-N 3.34Å; E13-K15 PolarHBondContact O-N 2.81Å; E13-K16 WeakPolarHBondContact O-CB 3.29Å; E13-K16 PolarHBondContact O-N 2.93Å; E13-K16 WeakPolarHBondContact OE2-CD 3.44Å; E13-K16 IonicContact OE2-NZ 2.78Å; E13-K16 PolarHBondContact OE2-NZ 3.05Å; E13-G17 PolarHBondContact O-N 3.43Å
14Q86.3Confident81.4Confident107 Ų10764.8 Ų64.850%0.538%0.382SS..Hα-helixtrans-58.7-46.3172177.2179.4-2400111.5Q10 L11 K16 G17 L18 D72Q10-Q14 PolarHBondContact O-N 3.31Å; L11-Q14 PolarHBondContact O-N 3.36Å; Q14-K16 VanDerWaalsContact C-N 3.31Å; Q14-K16 PolarHBondContact O-N 3.48Å; Q14-G17 PolarHBondContact O-N 2.86Å; Q14-G17 VanDerWaalsContact O-N 3.14Å; Q14-L18 PolarHBondContact O-N 3.45Å; Q14-L18 VanDerWaalsContact O-N 3.16Å; Q14-D72 PolarHBondContact NE2-OD1 3.34Å
15K88.1Confident83.5Confident4 Ų461.5 Ų61.52%0.01736%0.355CS..Hα-helixtrans-61.7-38.2177.3-74.2-170.9171.6-155.80112.3L11 Q12 E13 L18 L19 W154 Q157 L158 A161L11-K15 WeakPolarHBondContact O-CG 3.44Å; L11-K15 PolarHBondContact O-N 3.42Å; Q12-K15 PolarHBondContact O-N 3.31Å; E13-K15 VanDerWaalsContact C-N 3.34Å; E13-K15 PolarHBondContact O-N 2.81Å; K15-L18 PolarHBondContact O-N 3.46Å; K15-L19 PolarHBondContact O-N 3.32Å; K15-W154 PolarHBondContact NZ-O 3.26Å; K15-Q157 HydrophobicContact CD-CB 4.05Å; K15-L158 HydrophobicContact CB-CD1 4.25Å; K15-A161 HydrophobicContact CB-CB 4.04Å
16K88.4Confident85.6Confident51 Ų5157.1 Ų57.122%0.22234%0.338CS..Hα-helixtrans-61.7-45.4172-69177.3-157.1162.40111.5Q12 E13 Q14 L18 L19 I20 A161Q12-K16 WeakPolarHBondContact O-CG 2.96Å; Q12-K16 PolarHBondContact O-N 3.48Å; E13-K16 WeakPolarHBondContact O-CB 3.29Å; E13-K16 PolarHBondContact O-N 2.93Å; E13-K16 WeakPolarHBondContact OE2-CD 3.44Å; E13-K16 IonicContact OE2-NZ 2.78Å; E13-K16 PolarHBondContact OE2-NZ 3.05Å; Q14-K16 VanDerWaalsContact C-N 3.31Å; Q14-K16 PolarHBondContact O-N 3.48Å; K16-L18 VanDerWaalsContact C-N 3.26Å; K16-L18 PolarHBondContact O-N 3.18Å; K16-L19 PolarHBondContact O-N 3.25Å; K16-L19 VanDerWaalsContact O-N 3.08Å; K16-I20 WeakPolarHBondContact O-CG1 3.49Å; K16-I20 PolarHBondContact O-N 2.97Å; K16-A161 HydrophobicContact CG-CB 4.25Å
17G90.9Very high87.3Confident37 Ų3757.2 Ų57.238%0.38133%0.332SS..Hα-helixtrans-55.7-40.2178.200000113.1E13 Q14 I20 A21E13-G17 PolarHBondContact O-N 3.43Å; Q14-G17 PolarHBondContact O-N 2.86Å; Q14-G17 VanDerWaalsContact O-N 3.14Å; G17-I20 PolarHBondContact O-N 3.42Å; G17-A21 PolarHBondContact O-N 2.91Å
18L92.2Very high88.9Confident26 Ų2660.2 Ų60.214%0.13633%0.334CS..Hα-helixtrans-63.5-44175.4-64.6172.1000112.2Q14 K15 K16 A21 V22 A68 L69 D72Q14-L18 PolarHBondContact O-N 3.45Å; Q14-L18 VanDerWaalsContact O-N 3.16Å; K15-L18 PolarHBondContact O-N 3.46Å; K16-L18 VanDerWaalsContact C-N 3.26Å; K16-L18 PolarHBondContact O-N 3.18Å; L18-A21 PolarHBondContact O-N 3.41Å; L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 3.14Å; L18-A68 HydrophobicContact CD2-CB 3.75Å; L18-L69 HydrophobicContact CB-CD1 3.92Å; L18-L69 HydrophobicContact CD1-CD1 4.37Å; L18-D72 HydrophobicContact CD1-CB 3.58Å
19L90.8Very high90.1Very high34 Ų3456.5 Ų56.518%0.17831%0.31CS..Hα-helixtrans-66.9-39.6178.1-68.3175.1000112.2K15 K16 A21 V22 S23 L158 A161K15-L19 PolarHBondContact O-N 3.32Å; K16-L19 PolarHBondContact O-N 3.25Å; K16-L19 VanDerWaalsContact O-N 3.08Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 2.98Å; L19-V22 PolarHBondContact O-N 3.44Å; L19-S23 PolarHBondContact O-N 3.29Å; L19-L158 HydrophobicContact CD1-CD1 4Å; L19-L158 HydrophobicContact CD1-CG 4.23Å; L19-L158 HydrophobicContact CD2-CD1 3.9Å; L19-L158 HydrophobicContact CD2-CD2 4.12Å; L19-L158 HydrophobicContact CD2-CG 4.03Å; L19-L158 HydrophobicContact CG-CD1 3.81Å; L19-L158 HydrophobicContact CG-CG 4.32Å; L19-A161 HydrophobicContact CD1-CB 4.47Å
20I93Very high91.1Very high75 Ų7559.8 Ų59.839%0.38532%0.318SS..Hα-helixtrans-61.2-44.5175.4-68.4166.3000110.1K16 G17 V22 S23 V24 Y165K16-I20 WeakPolarHBondContact O-CG1 3.49Å; K16-I20 PolarHBondContact O-N 2.97Å; G17-I20 PolarHBondContact O-N 3.42Å; I20-V22 VanDerWaalsContact C-N 3.28Å; I20-V22 PolarHBondContact O-N 3.25Å; I20-S23 PolarHBondContact O-N 3.35Å; I20-V24 HydrophobicContact CG2-CG2 4.11Å; I20-V24 WeakPolarHBondContact O-CB 3.49Å; I20-V24 VanDerWaalsContact O-CG2 3.3Å; I20-V24 WeakPolarHBondContact O-CG2 3.36Å; I20-V24 PolarHBondContact O-N 3.4Å; I20-Y165 HydrophobicContact CG1-CE2 4.48Å
21A95.3Very high91.9Very high42 Ų4257.1 Ų57.135%0.34732%0.316SS..Hα-helixtrans-59.9-39177.500000112.5G17 L18 L19 S25 A65G17-A21 PolarHBondContact O-N 2.91Å; L18-A21 PolarHBondContact O-N 3.41Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 2.98Å; A21-S25 WeakPolarHBondContact O-CB 3.28Å; A21-S25 PolarHBondContact O-N 3.32Å; A21-S25 VanDerWaalsContact O-N 3.15Å; A21-S25 PolarHBondContact O-OG 3.41Å; A21-A65 HydrophobicContact CB-CB 4.1Å
22V95.8Very high92.7Very high27 Ų2755.6 Ų55.616%0.16431%0.306CS..Hα-helixtrans-66.6-48.4173.9176.20000110.7L18 L19 I20 V24 S25 V26 L62 A65 L66 L69L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 3.14Å; L19-V22 PolarHBondContact O-N 3.44Å; I20-V22 VanDerWaalsContact C-N 3.28Å; I20-V22 PolarHBondContact O-N 3.25Å; V22-V24 PolarHBondContact O-N 3.28Å; V22-S25 WeakPolarHBondContact O-CB 3.24Å; V22-S25 PolarHBondContact O-N 2.98Å; V22-S25 VanDerWaalsContact O-N 3.14Å; V22-V26 HydrophobicContact CG1-CG2 4.42Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.26Å; V22-L62 HydrophobicContact CG1-CD1 4.42Å; V22-A65 HydrophobicContact CG2-CB 3.9Å; V22-L66 HydrophobicContact CG1-CD2 4.11Å; V22-L66 HydrophobicContact CG2-CD2 3.84Å; V22-L69 HydrophobicContact CG2-CD2 4.41Å
23S94.4Very high93.4Very high29 Ų2953.6 Ų53.620%0.20330%0.297CS..Hα-helixtrans-55.4-53.3178.3-169.90000111.4L19 I20 S25 V26 D27 Y165L19-S23 PolarHBondContact O-N 3.29Å; I20-S23 PolarHBondContact O-N 3.35Å; S23-S25 PolarHBondContact O-N 3.29Å; S23-V26 WeakPolarHBondContact O-CA 3.12Å; S23-V26 WeakPolarHBondContact O-CB 3.41Å; S23-V26 PolarHBondContact O-N 3.49Å; S23-D27 VanDerWaalsContact O-CG 3.3Å; S23-D27 PolarHBondContact O-N 3.28Å; S23-Y165 PolarHBondContact OG-OH 2.92Å
24V96.9Very high93.9Very high64 Ų6451.2 Ų51.239%0.38830%0.3SS..Hα-helixtrans-58.5-36.3179.2170.20000111.6I20 V22 K28I20-V24 HydrophobicContact CG2-CG2 4.11Å; I20-V24 WeakPolarHBondContact O-CB 3.49Å; I20-V24 VanDerWaalsContact O-CG2 3.3Å; I20-V24 WeakPolarHBondContact O-CG2 3.36Å; I20-V24 PolarHBondContact O-N 3.4Å; V22-V24 PolarHBondContact O-N 3.28Å; V24-K28 HydrophobicContact CG1-CD 4.47Å; V24-K28 VanDerWaalsContact O-CG 3.29Å; V24-K28 WeakPolarHBondContact O-CG 3.41Å; V24-K28 PolarHBondContact O-N 3.45Å
25S97.4Very high94.1Very high7 Ų750 Ų505%0.04931%0.308CS..Hα-helixtrans-68.4-41.5176.5-58.50000111.8A21 V22 S23 K28 I29 T61A21-S25 WeakPolarHBondContact O-CB 3.28Å; A21-S25 PolarHBondContact O-N 3.32Å; A21-S25 VanDerWaalsContact O-N 3.15Å; A21-S25 PolarHBondContact O-OG 3.41Å; V22-S25 WeakPolarHBondContact O-CB 3.24Å; V22-S25 PolarHBondContact O-N 2.98Å; V22-S25 VanDerWaalsContact O-N 3.14Å; S23-S25 PolarHBondContact O-N 3.29Å; S25-K28 PolarHBondContact O-N 3.19Å; S25-I29 WeakPolarHBondContact O-CG1 3.38Å; S25-I29 PolarHBondContact O-N 3.49Å; S25-I29 VanDerWaalsContact O-N 3.16Å; S25-T61 WeakPolarHBondContact OG-CB 3.49Å; S25-T61 PolarHBondContact OG-O 2.9Å
26V96.6Very high94.5Very high59 Ų5950.2 Ų50.236%0.35831%0.311SS..Hα-helixtrans-64.6-43.5176172.20000110.8V22 S23 K28 I29 I30 L62V22-V26 HydrophobicContact CG1-CG2 4.42Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.26Å; S23-V26 WeakPolarHBondContact O-CA 3.12Å; S23-V26 WeakPolarHBondContact O-CB 3.41Å; S23-V26 PolarHBondContact O-N 3.49Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 2.97Å; V26-I29 WeakPolarHBondContact O-CB 3.44Å; V26-I29 PolarHBondContact O-N 3.4Å; V26-I30 HydrophobicContact CG1-CD1 3.75Å; V26-I30 HydrophobicContact CG1-CG1 4.25Å; V26-I30 WeakPolarHBondContact O-CG1 3.36Å; V26-I30 PolarHBondContact O-N 3.44Å; V26-L62 HydrophobicContact CG2-CD1 4.29Å
27D95.8Very high94.7Very high83 Ų8359.2 Ų59.244%0.44434%0.344SS..Hα-helixtrans-59.8-41.3178.3-65.9-34.9000111.9S23 I29 I30 S31S23-D27 VanDerWaalsContact O-CG 3.3Å; S23-D27 PolarHBondContact O-N 3.28Å; D27-I29 VanDerWaalsContact C-N 3.35Å; D27-I29 PolarHBondContact O-N 2.86Å; D27-I30 PolarHBondContact O-N 3.42Å; D27-S31 WeakPolarHBondContact O-CB 3.15Å; D27-S31 PolarHBondContact O-N 2.75Å
28K97.4Very high94.9Very high104 Ų10461 Ų6145%0.45234%0.344SS..Hα-helixtrans-63.4-40.4174.4-69.1170.5180-179.40112V24 S25 V26 S31 H32 L57 T61V24-K28 HydrophobicContact CG1-CD 4.47Å; V24-K28 VanDerWaalsContact O-CG 3.29Å; V24-K28 WeakPolarHBondContact O-CG 3.41Å; V24-K28 PolarHBondContact O-N 3.45Å; S25-K28 PolarHBondContact O-N 3.19Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 2.97Å; K28-S31 PolarHBondContact O-N 3.42Å; K28-H32 PolarHBondContact O-N 2.92Å; K28-L57 HydrophobicContact CB-CD1 3.76Å; K28-L57 HydrophobicContact CB-CD2 4.4Å; K28-L57 HydrophobicContact CD-CD1 4.29Å; K28-T61 HydrophobicContact CD-CG2 3.99Å
29I95.1Very high95Very high14 Ų1466.7 Ų66.77%0.07237%0.374CS..Hα-helixtrans-64.9-45.8176.4-67.1165.1000109.9S25 V26 D27 S31 H32 F33 L57 V58 L62 F213S25-I29 WeakPolarHBondContact O-CG1 3.38Å; S25-I29 PolarHBondContact O-N 3.49Å; S25-I29 VanDerWaalsContact O-N 3.16Å; V26-I29 WeakPolarHBondContact O-CB 3.44Å; V26-I29 PolarHBondContact O-N 3.4Å; D27-I29 VanDerWaalsContact C-N 3.35Å; D27-I29 PolarHBondContact O-N 2.86Å; I29-S31 VanDerWaalsContact C-N 3.3Å; I29-S31 PolarHBondContact O-N 3.35Å; I29-H32 WeakPolarHBondContact O-CB 3.41Å; I29-H32 PolarHBondContact O-N 3.38Å; I29-F33 HydrophobicContact CG2-CD2 3.89Å; I29-F33 HydrophobicContact CG2-CE2 3.77Å; I29-F33 VanDerWaalsContact O-CD2 3.22Å; I29-F33 WeakPolarHBondContact O-CD2 3.4Å; I29-F33 PolarHBondContact O-N 2.95Å; I29-F33 VanDerWaalsContact O-N 3.11Å; I29-L57 HydrophobicContact CB-CD2 4.4Å; I29-L57 HydrophobicContact CG1-CD2 3.84Å; I29-L57 HydrophobicContact CG1-CG 4.07Å; I29-V58 HydrophobicContact CD1-CG2 3.93Å; I29-V58 HydrophobicContact CG1-CG2 4.33Å; I29-L62 HydrophobicContact CD1-CB 4.01Å; I29-L62 HydrophobicContact CD1-CD2 3.75Å; I29-L62 HydrophobicContact CD1-CG 4.41Å; I29-F213 HydrophobicContact CG2-CE1 4.5Å; I29-F213 HydrophobicContact CG2-CZ 3.9Å
30I95.1Very high95.2Very high105 Ų10569.8 Ų69.854%0.53839%0.394SS..Hα-helixtrans-58.5-45.4176.3-68.9170.5000110.4V26 D27 H32 F33 G34V26-I30 HydrophobicContact CG1-CD1 3.75Å; V26-I30 HydrophobicContact CG1-CG1 4.25Å; V26-I30 WeakPolarHBondContact O-CG1 3.36Å; V26-I30 PolarHBondContact O-N 3.44Å; D27-I30 PolarHBondContact O-N 3.42Å; I30-H32 PolarHBondContact O-N 3.16Å; I30-F33 CarbonylContact O-C 3.56Å; I30-F33 PolarHBondContact O-N 3.14Å; I30-G34 PolarHBondContact O-N 2.94Å
31S97.4Very high95.2Very high88 Ų8869.9 Ų69.962%0.61539%0.393SS*.Hα-helixtrans-58.2-44.7176.7-176.30000112D27 K28 I29 F33 G34D27-S31 WeakPolarHBondContact O-CB 3.15Å; D27-S31 PolarHBondContact O-N 2.75Å; K28-S31 PolarHBondContact O-N 3.42Å; I29-S31 VanDerWaalsContact C-N 3.3Å; I29-S31 PolarHBondContact O-N 3.35Å; S31-F33 PolarHBondContact O-N 3.13Å; S31-G34 WeakPolarHBondContact O-CA 3.46Å; S31-G34 PolarHBondContact O-N 3.21Å
32H95.2Very high95.1Very high35 Ų3571.5 Ų71.516%0.16239%0.392CS..Hα-helixtrans-55.4-48.9174.4177.581.8000112K28 I29 I30 G34 A35 L45 S51 L57K28-H32 PolarHBondContact O-N 2.92Å; I29-H32 WeakPolarHBondContact O-CB 3.41Å; I29-H32 PolarHBondContact O-N 3.38Å; I30-H32 PolarHBondContact O-N 3.16Å; H32-G34 PolarHBondContact O-N 3.48Å; H32-A35 PolarHBondContact O-N 2.99Å; H32-L45 PolarHBondContact NE2-O 3.26Å; H32-L45 VanDerWaalsContact NE2-O 3.15Å; H32-S51 PolarHBondContact CE1-OG 3.42Å; H32-S51 PolarHBondContact NE2-OG 3.02Å; H32-L57 HydrophobicContact CB-CD2 3.92Å
33F94.6Very high94.9Very high30 Ų3071.8 Ų71.813%0.13240%0.398CS..Hα-helixtrans-71.7-16.3176.8-74.8-77.7000113.8I29 I30 S31 A35 A36 K42 L45 V54 F213I29-F33 HydrophobicContact CG2-CD2 3.89Å; I29-F33 HydrophobicContact CG2-CE2 3.77Å; I29-F33 VanDerWaalsContact O-CD2 3.22Å; I29-F33 WeakPolarHBondContact O-CD2 3.4Å; I29-F33 PolarHBondContact O-N 2.95Å; I29-F33 VanDerWaalsContact O-N 3.11Å; I30-F33 CarbonylContact O-C 3.56Å; I30-F33 PolarHBondContact O-N 3.14Å; S31-F33 PolarHBondContact O-N 3.13Å; F33-A35 PolarHBondContact O-N 3.48Å; F33-A36 PolarHBondContact O-N 3.27Å; F33-K42 HydrophobicContact CD1-CB 4.28Å; F33-K42 VanDerWaalsContact CE1-O 3.25Å; F33-K42 WeakPolarHBondContact CE1-O 3.4Å; F33-K42 PolarHBondContact O-NZ 3.08Å; F33-L45 HydrophobicContact CD1-CB 4.15Å; F33-L45 HydrophobicContact CE1-CB 4.12Å; F33-V54 HydrophobicContact CE2-CG2 4.1Å; F33-V54 HydrophobicContact CZ-CG2 4.05Å; F33-F213 HydrophobicContact CE1-CD2 4.39Å; F33-F213 AromaticContact CE2-CD2 3.93Å; F33-F213 HydrophobicContact CE2-CD2 3.93Å; F33-F213 HydrophobicContact CE2-CE1 4.36Å; F33-F213 AromaticContact CE2-CE2 3.47Å; F33-F213 HydrophobicContact CE2-CE2 3.47Å; F33-F213 VanDerWaalsContact CE2-CE2 3.47Å; F33-F213 AromaticContact CE2-CZ 3.71Å; F33-F213 HydrophobicContact CE2-CZ 3.71Å; F33-F213 AromaticContact CZ-CD2 3.39Å; F33-F213 HydrophobicContact CZ-CD2 3.39Å; F33-F213 AromaticContact CZ-CE2 3.37Å; F33-F213 HydrophobicContact CZ-CE2 3.37Å; F33-F213 HydrophobicContact CZ-CG 4.12Å; F33-F213 HydrophobicContact CZ-CZ 4.06Å
34G95.6Very high94.8Very high54 Ų5475.1 Ų75.156%0.55741%0.41SS*.Hα-helixtrans-66.6-21.817600000113.5I30 S31 H32 A36I30-G34 PolarHBondContact O-N 2.94Å; S31-G34 WeakPolarHBondContact O-CA 3.46Å; S31-G34 PolarHBondContact O-N 3.21Å; H32-G34 PolarHBondContact O-N 3.48Å; G34-A36 PolarHBondContact O-N 3.21Å
35A91.3Very high94.7Very high82 Ų8274 Ų7468%0.67840%0.401SS*.THydrogen-bonded Turntrans-66-22.9175.700000113.6H32 F33 L45H32-A35 PolarHBondContact O-N 2.99Å; F33-A35 PolarHBondContact O-N 3.48Å; A35-L45 HydrophobicContact CB-CD1 4.27Å
36A94.6Very high94.4Very high9 Ų973.6 Ų73.67%0.07440%0.399CS..  trans-94.5138.1-179.200000112.9F33 G34 Q41 K42 L45F33-A36 PolarHBondContact O-N 3.27Å; G34-A36 PolarHBondContact O-N 3.21Å; A36-Q41 HydrophobicContact CB-CB 3.52Å; A36-K42 HydrophobicContact CB-CB 4.41Å; A36-K42 HydrophobicContact CB-CG 3.59Å; A36-L45 HydrophobicContact CB-CD1 3.51Å; A36-L45 HydrophobicContact CB-CG 4.39Å
37R94.3Very high94.2Very high240 Ų24071.6 Ų71.691%0.90639%0.386SS*.SBendtrans-97.2-11.2-177-64.8-173.7176174.6-1114.4
38N95.1Very high94Very high73 Ų7368 Ų6839%0.3937%0.368SS..SBendtrans-141.8168.2-18064.251000112V40 Q41 K42N38-V40 VanDerWaalsContact C-N 3.33Å; N38-V40 PolarHBondContact O-N 3.27Å; N38-V40 PolarHBondContact OD1-N 2.76Å; N38-Q41 PolarHBondContact O-N 2.88Å; N38-Q41 WeakPolarHBondContact OD1-CB 3.29Å; N38-Q41 VanDerWaalsContact OD1-CG 3.29Å; N38-Q41 WeakPolarHBondContact OD1-CG 3.43Å; N38-Q41 PolarHBondContact OD1-N 3.46Å; N38-K42 WeakPolarHBondContact O-CG 3.47Å; N38-K42 PolarHBondContact O-N 3.41Å
39L92.8Very high93.7Very high147 Ų14769.4 Ų69.477%0.7737%0.37SS*.Hα-helixtrans-64.9-34.8-175.5-65.6179000113.2K42 A43L39-K42 PolarHBondContact O-N 3.15Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 3.39Å
40V94.9Very high93.5Very high99 Ų9974.2 Ų74.260%0.640%0.395SS*.Hα-helixtrans-66.7-46.7179.5179.10000110.4N38 K42 A43 Q44N38-V40 VanDerWaalsContact C-N 3.33Å; N38-V40 PolarHBondContact O-N 3.27Å; N38-V40 PolarHBondContact OD1-N 2.76Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.37Å; V40-A43 WeakPolarHBondContact O-CB 3.49Å; V40-A43 PolarHBondContact O-N 2.97Å; V40-Q44 WeakPolarHBondContact O-CG 3.33Å; V40-Q44 PolarHBondContact O-N 3.23Å
41Q94.5Very high93.3Very high76 Ų7669.8 Ų69.836%0.35537%0.374SS..Hα-helixtrans-62.9-40175-72.6174.7-11.400111.4A36 N38 A43 Q44 L45A36-Q41 HydrophobicContact CB-CB 3.52Å; N38-Q41 PolarHBondContact O-N 2.88Å; N38-Q41 WeakPolarHBondContact OD1-CB 3.29Å; N38-Q41 VanDerWaalsContact OD1-CG 3.29Å; N38-Q41 WeakPolarHBondContact OD1-CG 3.43Å; N38-Q41 PolarHBondContact OD1-N 3.46Å; Q41-A43 VanDerWaalsContact C-N 3.33Å; Q41-A43 PolarHBondContact O-N 2.95Å; Q41-Q44 PolarHBondContact O-N 3.45Å; Q41-L45 WeakPolarHBondContact O-CG 3.23Å; Q41-L45 PolarHBondContact O-N 3.5Å
42K92.8Very high93.2Very high77 Ų7768.9 Ų68.934%0.33537%0.366SS..Hα-helixtrans-62.3-40.6173.7-73.3179.4-174-740111.4F33 A36 N38 L39 V40 Q44 L45 G46F33-K42 HydrophobicContact CD1-CB 4.28Å; F33-K42 VanDerWaalsContact CE1-O 3.25Å; F33-K42 WeakPolarHBondContact CE1-O 3.4Å; F33-K42 PolarHBondContact O-NZ 3.08Å; A36-K42 HydrophobicContact CB-CB 4.41Å; A36-K42 HydrophobicContact CB-CG 3.59Å; N38-K42 WeakPolarHBondContact O-CG 3.47Å; N38-K42 PolarHBondContact O-N 3.41Å; L39-K42 PolarHBondContact O-N 3.15Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.37Å; K42-Q44 PolarHBondContact O-N 3.28Å; K42-L45 PolarHBondContact O-N 3.49Å; K42-G46 PolarHBondContact O-N 3.35Å
43A91.6Very high93.1Very high33 Ų3372.3 Ų72.327%0.27339%0.385SS..Hα-helixtrans-62-42.9174.300000111.7L39 V40 Q41 G46 D47 V215L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 3.39Å; V40-A43 WeakPolarHBondContact O-CB 3.49Å; V40-A43 PolarHBondContact O-N 2.97Å; Q41-A43 VanDerWaalsContact C-N 3.33Å; Q41-A43 PolarHBondContact O-N 2.95Å; A43-G46 PolarHBondContact O-N 3Å; A43-G46 VanDerWaalsContact O-N 3.15Å; A43-D47 PolarHBondContact O-N 3.39Å; A43-D47 VanDerWaalsContact O-N 3.08Å; A43-V215 HydrophobicContact CB-CG1 4.07Å; A43-V215 HydrophobicContact CB-CG2 3.81Å; A43-V215 WeakPolarHBondContact O-CG2 3.41Å
44Q92.9Very high93.1Very high99 Ų9970.9 Ų70.946%0.46338%0.379SS..Hα-helixtrans-63.6-42.6176.1-69.9172.2-21.700112.5V40 Q41 K42 G46 D47 L50V40-Q44 WeakPolarHBondContact O-CG 3.33Å; V40-Q44 PolarHBondContact O-N 3.23Å; Q41-Q44 PolarHBondContact O-N 3.45Å; K42-Q44 PolarHBondContact O-N 3.28Å; Q44-G46 PolarHBondContact O-N 2.98Å; Q44-D47 PolarHBondContact O-N 3Å; Q44-D47 VanDerWaalsContact O-N 3.12Å; Q44-L50 HydrophobicContact CB-CD1 4.2Å; Q44-L50 HydrophobicContact CG-CD1 4.07Å
45L93.4Very high92.9Very high39 Ų3968.3 Ų68.320%0.20435%0.352CS..Hα-helixtrans-64.3-23.7174.5-72.7-177.4000113.1H32 F33 A35 A36 Q41 K42 S51 V54H32-L45 PolarHBondContact NE2-O 3.26Å; H32-L45 VanDerWaalsContact NE2-O 3.15Å; F33-L45 HydrophobicContact CD1-CB 4.15Å; F33-L45 HydrophobicContact CE1-CB 4.12Å; A35-L45 HydrophobicContact CB-CD1 4.27Å; A36-L45 HydrophobicContact CB-CD1 3.51Å; A36-L45 HydrophobicContact CB-CG 4.39Å; Q41-L45 WeakPolarHBondContact O-CG 3.23Å; Q41-L45 PolarHBondContact O-N 3.5Å; K42-L45 PolarHBondContact O-N 3.49Å; L45-S51 PolarHBondContact O-OG 2.88Å; L45-V54 WeakPolarHBondContact O-CB 3.38Å; L45-V54 VanDerWaalsContact O-CG1 3.24Å; L45-V54 WeakPolarHBondContact O-CG1 3.5Å
46G92.1Very high93.1Very high0 Ų069 Ų690%034%0.341CS..Hα-helixtrans-85.1-18.2174.100000114K42 A43 Q44 S48 L212K42-G46 PolarHBondContact O-N 3.35Å; A43-G46 PolarHBondContact O-N 3Å; A43-G46 VanDerWaalsContact O-N 3.15Å; Q44-G46 PolarHBondContact O-N 2.98Å; G46-S48 PolarHBondContact O-N 3.5Å; G46-L212 CarbonylContact O-C 3.19Å; G46-L212 WeakPolarHBondContact O-CA 3.38Å; G46-L212 WeakPolarHBondContact O-CB 3.49Å; G46-L212 PolarHBondContact O-N 3.16Å
47D90.9Very high93.2Very high17 Ų1770 Ų709%0.09135%0.345CS..BIsolated β-bridgetrans-79.7110.8175.3-169.6-46.8000109.3A43 Q44 R49 L50 S51 G210A43-D47 PolarHBondContact O-N 3.39Å; A43-D47 VanDerWaalsContact O-N 3.08Å; Q44-D47 PolarHBondContact O-N 3Å; Q44-D47 VanDerWaalsContact O-N 3.12Å; D47-R49 PolarHBondContact O-N 3.16Å; D47-R49 VanDerWaalsContact O-N 3.16Å; D47-R49 WeakPolarHBondContact OD1-CA 3.26Å; D47-R49 WeakPolarHBondContact OD1-CB 3.4Å; D47-R49 PolarHBondContact OD1-N 3.33Å; D47-L50 HydrophobicContact CB-CB 4.21Å; D47-L50 HydrophobicContact CB-CD1 4Å; D47-L50 HydrophobicContact CB-CG 4.02Å; D47-L50 PolarHBondContact O-N 2.71Å; D47-L50 PolarHBondContact OD1-N 3.44Å; D47-S51 PolarHBondContact O-N 3.35Å; D47-G210 CarbonylContact C-O 3.56Å
48S92.2Very high93.4Very high8 Ų858.5 Ų58.56%0.05630%0.302CS..THydrogen-bonded Turntrans-70.6-8.3-176.762.70000113.7G46 P52 L209 G210G46-S48 PolarHBondContact O-N 3.5Å; S48-P52 WeakPolarHBondContact O-CA 3.36Å; S48-L209 PolarHBondContact OG-O 3.35Å; S48-G210 PolarHBondContact N-O 3.5Å; S48-G210 VanDerWaalsContact OG-C 3.24Å; S48-G210 VanDerWaalsContact OG-CA 3.28Å; S48-G210 WeakPolarHBondContact OG-CA 3.25Å; S48-G210 PolarHBondContact OG-O 2.95Å; S48-G210 VanDerWaalsContact OG-O 3.1Å
49R91.4Very high93.4Very high133 Ų13356 Ų5650%0.50229%0.289SS..THydrogen-bonded Turntrans-82.3-30.7169.5-55.7172.8175.7175.37.7111.9D47 L207 G210D47-R49 PolarHBondContact O-N 3.16Å; D47-R49 VanDerWaalsContact O-N 3.16Å; D47-R49 WeakPolarHBondContact OD1-CA 3.26Å; D47-R49 WeakPolarHBondContact OD1-CB 3.4Å; D47-R49 PolarHBondContact OD1-N 3.33Å; R49-L207 PolarHBondContact NH2-O 3.38Å; R49-G210 PolarHBondContact N-O 2.98Å
50L91.8Very high93.6Very high115 Ų11552.5 Ų52.560%0.60227%0.273SS*.THydrogen-bonded Turntrans-89.1-39.4178.3-58.2-178.2000111.2Q44 D47Q44-L50 HydrophobicContact CB-CD1 4.2Å; Q44-L50 HydrophobicContact CG-CD1 4.07Å; D47-L50 HydrophobicContact CB-CB 4.21Å; D47-L50 HydrophobicContact CB-CD1 4Å; D47-L50 HydrophobicContact CB-CG 4.02Å; D47-L50 PolarHBondContact O-N 2.71Å; D47-L50 PolarHBondContact OD1-N 3.44Å
51S90.9Very high93.8Very high12 Ų1248.7 Ų48.78%0.08425%0.25CS..  trans-126.980.9-178.51740000109.5H32 L45 D47 D53 V54H32-S51 PolarHBondContact CE1-OG 3.42Å; H32-S51 PolarHBondContact NE2-OG 3.02Å; L45-S51 PolarHBondContact O-OG 2.88Å; D47-S51 PolarHBondContact O-N 3.35Å; S51-D53 PolarHBondContact O-N 3.25Å; S51-V54 VanDerWaalsContact O-CG1 3.27Å; S51-V54 WeakPolarHBondContact O-CG1 3.44Å; S51-V54 PolarHBondContact O-N 3.31Å; S51-V54 VanDerWaalsContact O-N 3.16Å
52P93.5Very high93.9Very high69 Ų6945.4 Ų45.445%0.44824%0.235SC..Hα-helixtrans-59.2-23.6-17825.7-34.9000113.1S48 V54 G55 H56S48-P52 WeakPolarHBondContact O-CA 3.36Å; P52-V54 VanDerWaalsContact C-N 3.27Å; P52-V54 PolarHBondContact O-N 2.89Å; P52-G55 PolarHBondContact O-N 3.12Å; P52-H56 PolarHBondContact O-N 2.87Å
53D93.6Very high94.2Very high107 Ų10741.7 Ų41.757%0.57222%0.219SC*.Hα-helixtrans-56.1-37.2177.2-62.9-23.1000112.7S51 G55 H56 L57S51-D53 PolarHBondContact O-N 3.25Å; D53-G55 VanDerWaalsContact C-N 3.3Å; D53-G55 PolarHBondContact O-N 2.89Å; D53-H56 PolarHBondContact O-N 2.92Å; D53-L57 WeakPolarHBondContact O-CB 3.45Å; D53-L57 PolarHBondContact O-N 2.92Å
54V94.4Very high94.5Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-66.3-37.2178.372.30000111.2F33 L45 S51 P52 V58 L212 F213F33-V54 HydrophobicContact CE2-CG2 4.1Å; F33-V54 HydrophobicContact CZ-CG2 4.05Å; L45-V54 WeakPolarHBondContact O-CB 3.38Å; L45-V54 VanDerWaalsContact O-CG1 3.24Å; L45-V54 WeakPolarHBondContact O-CG1 3.5Å; S51-V54 VanDerWaalsContact O-CG1 3.27Å; S51-V54 WeakPolarHBondContact O-CG1 3.44Å; S51-V54 PolarHBondContact O-N 3.31Å; S51-V54 VanDerWaalsContact O-N 3.16Å; P52-V54 VanDerWaalsContact C-N 3.27Å; P52-V54 PolarHBondContact O-N 2.89Å; V54-V58 VanDerWaalsContact O-CG2 3.27Å; V54-V58 WeakPolarHBondContact O-CG2 3.49Å; V54-V58 PolarHBondContact O-N 3.49Å; V54-L212 HydrophobicContact CG1-CD1 3.94Å; V54-L212 HydrophobicContact CG2-CD1 4.17Å; V54-F213 HydrophobicContact CG2-CE2 3.83Å
55G92.5Very high94.7Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-68-45.6176.700000111.5P52 D53 L59P52-G55 PolarHBondContact O-N 3.12Å; D53-G55 VanDerWaalsContact C-N 3.3Å; D53-G55 PolarHBondContact O-N 2.89Å; G55-L59 VanDerWaalsContact O-CB 3.32Å; G55-L59 WeakPolarHBondContact O-CB 3.32Å; G55-L59 WeakPolarHBondContact O-CD1 3.4Å; G55-L59 VanDerWaalsContact O-CG 3.25Å; G55-L59 WeakPolarHBondContact O-CG 3.46Å; G55-L59 PolarHBondContact O-N 3.24Å
56H95.4Very high94.9Very high95 Ų9536.4 Ų36.444%0.4419%0.193SC..Hα-helixtrans-62.4-45176.4-173.673.5000111.6P52 D53 L59 T60P52-H56 PolarHBondContact O-N 2.87Å; D53-H56 PolarHBondContact O-N 2.92Å; H56-L59 PolarHBondContact O-N 3.43Å; H56-T60 WeakPolarHBondContact O-CB 3.28Å; H56-T60 WeakPolarHBondContact O-CG2 3.4Å; H56-T60 PolarHBondContact O-N 3.3Å; H56-T60 PolarHBondContact O-OG1 3.02Å
57L96.6Very high95.1Very high30 Ų3037.3 Ų37.316%0.15720%0.197CC..Hα-helixtrans-57.8-53178.1177.361000111.2K28 I29 H32 D53 L59 T60 T61K28-L57 HydrophobicContact CB-CD1 3.76Å; K28-L57 HydrophobicContact CB-CD2 4.4Å; K28-L57 HydrophobicContact CD-CD1 4.29Å; I29-L57 HydrophobicContact CB-CD2 4.4Å; I29-L57 HydrophobicContact CG1-CD2 3.84Å; I29-L57 HydrophobicContact CG1-CG 4.07Å; H32-L57 HydrophobicContact CB-CD2 3.92Å; D53-L57 WeakPolarHBondContact O-CB 3.45Å; D53-L57 PolarHBondContact O-N 2.92Å; L57-L59 VanDerWaalsContact C-N 3.35Å; L57-L59 PolarHBondContact O-N 3.25Å; L57-T60 PolarHBondContact O-N 3.48Å; L57-T60 PolarHBondContact O-OG1 2.94Å; L57-T61 HydrophobicContact CD1-CG2 3.86Å; L57-T61 WeakPolarHBondContact O-CB 3.43Å; L57-T61 PolarHBondContact O-N 2.88Å; L57-T61 PolarHBondContact O-OG1 3.49Å
58V97.1Very high95.3Very high0 Ų038.4 Ų38.40%021%0.209CC..Iπ-helixtrans-61.3-43179.3173.60000111.5I29 V54 T60 L62 C63 L132 L135 L212I29-V58 HydrophobicContact CD1-CG2 3.93Å; I29-V58 HydrophobicContact CG1-CG2 4.33Å; V54-V58 VanDerWaalsContact O-CG2 3.27Å; V54-V58 WeakPolarHBondContact O-CG2 3.49Å; V54-V58 PolarHBondContact O-N 3.49Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 2.74Å; V58-L62 HydrophobicContact CG1-CB 4.39Å; V58-L62 HydrophobicContact CG1-CD2 4.42Å; V58-L62 PolarHBondContact O-N 3.04Å; V58-C63 WeakPolarHBondContact O-CB 3.25Å; V58-C63 PolarHBondContact O-N 3.03Å; V58-L132 HydrophobicContact CB-CD2 4.18Å; V58-L132 HydrophobicContact CG1-CD2 3.53Å; V58-L135 HydrophobicContact CG1-CD1 3.67Å; V58-L135 HydrophobicContact CG2-CD1 4.25Å; V58-L212 HydrophobicContact CG2-CD1 4.25Å
59L96.2Very high95.3Very high21 Ų2138.5 Ų38.511%0.1121%0.209CC..Iπ-helixtrans-69.8-26.8-178.5-75.9168.8000114.4G55 H56 L57 P64 H128 L132 V242 L245 V246G55-L59 VanDerWaalsContact O-CB 3.32Å; G55-L59 WeakPolarHBondContact O-CB 3.32Å; G55-L59 WeakPolarHBondContact O-CD1 3.4Å; G55-L59 VanDerWaalsContact O-CG 3.25Å; G55-L59 WeakPolarHBondContact O-CG 3.46Å; G55-L59 PolarHBondContact O-N 3.24Å; H56-L59 PolarHBondContact O-N 3.43Å; L57-L59 VanDerWaalsContact C-N 3.35Å; L57-L59 PolarHBondContact O-N 3.25Å; L59-P64 VanDerWaalsContact O-CD 3.23Å; L59-P64 WeakPolarHBondContact O-CD 3.26Å; L59-P64 WeakPolarHBondContact O-CG 3.33Å; L59-H128 HydrophobicContact CD2-CB 4.07Å; L59-L132 HydrophobicContact CD2-CD1 4.06Å; L59-V242 HydrophobicContact CD1-CG1 3.72Å; L59-L245 HydrophobicContact CD1-CB 4.45Å; L59-V246 HydrophobicContact CD1-CG2 4.21Å; L59-V246 HydrophobicContact CD2-CG2 4.03Å
60T97.3Very high95.4Very high73 Ų7332.7 Ų32.745%0.44819%0.187SC..Iπ-helixtrans-99.2-17.6-177.455.80000113.5H56 L57 V58H56-T60 WeakPolarHBondContact O-CB 3.28Å; H56-T60 WeakPolarHBondContact O-CG2 3.4Å; H56-T60 PolarHBondContact O-N 3.3Å; H56-T60 PolarHBondContact O-OG1 3.02Å; L57-T60 PolarHBondContact O-N 3.48Å; L57-T60 PolarHBondContact O-OG1 2.94Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 2.74Å
61T97.9Very high95.3Very high19 Ų1928.9 Ų28.912%0.11717%0.173CC..Iπ-helixtrans-116.4-72.2-177.764.20000111.3S25 K28 L57 P64 A65S25-T61 WeakPolarHBondContact OG-CB 3.49Å; S25-T61 PolarHBondContact OG-O 2.9Å; K28-T61 HydrophobicContact CD-CG2 3.99Å; L57-T61 HydrophobicContact CD1-CG2 3.86Å; L57-T61 WeakPolarHBondContact O-CB 3.43Å; L57-T61 PolarHBondContact O-N 2.88Å; L57-T61 PolarHBondContact O-OG1 3.49Å; T61-P64 WeakPolarHBondContact O-CD 3.33Å; T61-A65 WeakPolarHBondContact O-CB 3.43Å; T61-A65 PolarHBondContact O-N 3.22Å; T61-A65 VanDerWaalsContact O-N 3.12Å
62L97.8Very high95.2Very high6 Ų629.4 Ų29.43%0.03118%0.175CC..Iπ-helixtrans-67.2-46.2-171.7-175.865.7000112.8V22 V26 I29 V58 A65 L66 L135V22-L62 HydrophobicContact CG1-CD1 4.42Å; V26-L62 HydrophobicContact CG2-CD1 4.29Å; I29-L62 HydrophobicContact CD1-CB 4.01Å; I29-L62 HydrophobicContact CD1-CD2 3.75Å; I29-L62 HydrophobicContact CD1-CG 4.41Å; V58-L62 HydrophobicContact CG1-CB 4.39Å; V58-L62 HydrophobicContact CG1-CD2 4.42Å; V58-L62 PolarHBondContact O-N 3.04Å; L62-A65 PolarHBondContact O-N 3.37Å; L62-L66 HydrophobicContact CD1-CD1 3.9Å; L62-L66 HydrophobicContact CD1-CD2 4.32Å; L62-L66 HydrophobicContact CD1-CG 3.9Å; L62-L66 HydrophobicContact CD2-CD1 4.39Å; L62-L66 HydrophobicContact CG-CD1 3.83Å; L62-L66 HydrophobicContact CG-CG 4.17Å; L62-L66 WeakPolarHBondContact O-CB 3.36Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.14Å; L62-L135 HydrophobicContact CD2-CD1 4.11Å; L62-L135 HydrophobicContact CD2-CD2 4.2Å
63C97.7Very high94.3Very high0 Ų029.2 Ų29.20%019%0.185CC..Hα-helixtrans-59.5-49.1-179.1-79.10000112.6V58 H67 H128V58-C63 WeakPolarHBondContact O-CB 3.25Å; V58-C63 PolarHBondContact O-N 3.03Å; C63-H67 VanDerWaalsContact O-CB 3.26Å; C63-H67 WeakPolarHBondContact O-CB 3.44Å; C63-H67 PolarHBondContact O-N 3.41Å; C63-H128 HydrophobicContact CB-CB 4.28Å
64P98.1Very high93.8Very high47 Ų4727 Ų2731%0.30517%0.173SC..Hα-helixtrans-60.7-41.6172.8-26.835.3000113.7L59 T61 H67 A68L59-P64 VanDerWaalsContact O-CD 3.23Å; L59-P64 WeakPolarHBondContact O-CD 3.26Å; L59-P64 WeakPolarHBondContact O-CG 3.33Å; T61-P64 WeakPolarHBondContact O-CD 3.33Å; P64-H67 PolarHBondContact O-N 3.34Å; P64-A68 WeakPolarHBondContact O-CB 3.3Å; P64-A68 PolarHBondContact O-N 2.96Å
65A97.7Very high93.2Very high8 Ų834.7 Ų34.77%0.06621%0.206CC..Hα-helixtrans-62.1-47.9178.900000111.7A21 V22 T61 L62 H67 A68 L69A21-A65 HydrophobicContact CB-CB 4.1Å; V22-A65 HydrophobicContact CG2-CB 3.9Å; T61-A65 WeakPolarHBondContact O-CB 3.43Å; T61-A65 PolarHBondContact O-N 3.22Å; T61-A65 VanDerWaalsContact O-N 3.12Å; L62-A65 PolarHBondContact O-N 3.37Å; A65-H67 VanDerWaalsContact C-N 3.34Å; A65-H67 PolarHBondContact O-N 2.98Å; A65-A68 PolarHBondContact O-N 3.19Å; A65-L69 WeakPolarHBondContact O-CB 3.47Å; A65-L69 PolarHBondContact O-N 2.75Å
66L96.9Very high92.7Very high4 Ų439.2 Ų39.22%0.02124%0.235CC..Hα-helixtrans-68.3-33.4176.4-63.3-179.2000112.2V22 L62 L69 V70 I131 L140 F144V22-L66 HydrophobicContact CG1-CD2 4.11Å; V22-L66 HydrophobicContact CG2-CD2 3.84Å; L62-L66 HydrophobicContact CD1-CD1 3.9Å; L62-L66 HydrophobicContact CD1-CD2 4.32Å; L62-L66 HydrophobicContact CD1-CG 3.9Å; L62-L66 HydrophobicContact CD2-CD1 4.39Å; L62-L66 HydrophobicContact CG-CD1 3.83Å; L62-L66 HydrophobicContact CG-CG 4.17Å; L62-L66 WeakPolarHBondContact O-CB 3.36Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.14Å; L66-L69 HydrophobicContact CD2-CD2 4.38Å; L66-L69 PolarHBondContact O-N 3.33Å; L66-V70 WeakPolarHBondContact O-CB 3.35Å; L66-V70 VanDerWaalsContact O-CG2 3.26Å; L66-V70 WeakPolarHBondContact O-CG2 3.42Å; L66-V70 PolarHBondContact O-N 2.94Å; L66-I131 HydrophobicContact CD1-CD1 4.12Å; L66-I131 HydrophobicContact CD1-CG1 4.5Å; L66-I131 HydrophobicContact CD1-CG2 3.88Å; L66-L140 HydrophobicContact CD1-CD1 4.09Å; L66-L140 HydrophobicContact CD1-CD2 4.26Å; L66-F144 HydrophobicContact CD1-CE2 4.41Å; L66-F144 HydrophobicContact CD2-CE2 4.04Å; L66-F144 HydrophobicContact CD2-CZ 3.84Å
67H96.4Very high92.2Very high20 Ų2039.5 Ų39.59%0.09324%0.236CC..Hα-helixtrans-63.4-45173.2-178.2-62.1000110.9C63 P64 A65 L69 A71 F127C63-H67 VanDerWaalsContact O-CB 3.26Å; C63-H67 WeakPolarHBondContact O-CB 3.44Å; C63-H67 PolarHBondContact O-N 3.41Å; P64-H67 PolarHBondContact O-N 3.34Å; A65-H67 VanDerWaalsContact C-N 3.34Å; A65-H67 PolarHBondContact O-N 2.98Å; H67-L69 VanDerWaalsContact C-N 3.35Å; H67-A71 WeakPolarHBondContact O-CB 3.41Å; H67-A71 PolarHBondContact O-N 3.07Å; H67-F127 VanDerWaalsContact CA-CE1 3.44Å; H67-F127 HydrophobicContact CB-CD1 3.91Å; H67-F127 HydrophobicContact CB-CE1 3.65Å; H67-F127 AromaticContact CD2-CD1 3.75Å
68A95.6Very high91.5Very high40 Ų4041.9 Ų41.933%0.33124%0.243SC..Hα-helixtrans-63.4-43.4176.800000110.9L18 P64 A65 V70 A71 D72L18-A68 HydrophobicContact CD2-CB 3.75Å; P64-A68 WeakPolarHBondContact O-CB 3.3Å; P64-A68 PolarHBondContact O-N 2.96Å; A65-A68 PolarHBondContact O-N 3.19Å; A68-V70 PolarHBondContact O-N 3.29Å; A68-A71 PolarHBondContact O-N 3.44Å; A68-D72 PolarHBondContact O-N 2.93Å
69L93.2Very high90.9Very high10 Ų1051.6 Ų51.65%0.05229%0.285CS..Hα-helixtrans-58.5-48.4177-173.270000112.1L18 V22 A65 L66 H67 A71 D72 F144 W154 L158L18-L69 HydrophobicContact CB-CD1 3.92Å; L18-L69 HydrophobicContact CD1-CD1 4.37Å; V22-L69 HydrophobicContact CG2-CD2 4.41Å; A65-L69 WeakPolarHBondContact O-CB 3.47Å; A65-L69 PolarHBondContact O-N 2.75Å; L66-L69 HydrophobicContact CD2-CD2 4.38Å; L66-L69 PolarHBondContact O-N 3.33Å; H67-L69 VanDerWaalsContact C-N 3.35Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-D72 WeakPolarHBondContact O-CB 3.3Å; L69-D72 PolarHBondContact O-N 3.08Å; L69-F144 HydrophobicContact CD2-CE1 4.41Å; L69-W154 HydrophobicContact CD1-CH2 4.21Å; L69-W154 HydrophobicContact CD1-CZ2 4.5Å; L69-W154 HydrophobicContact CG-CH2 4.25Å; L69-W154 VanDerWaalsContact O-CH2 3.28Å; L69-W154 WeakPolarHBondContact O-CH2 3.5Å; L69-W154 WeakPolarHBondContact O-CZ2 3.16Å; L69-L158 HydrophobicContact CD1-CD1 3.92Å; L69-L158 HydrophobicContact CD1-CD2 3.97Å
70V92.2Very high90.3Very high10 Ų1051.8 Ų51.86%0.06129%0.286CS..Hα-helixtrans-74.1-25.6-179.7176.60000112L66 A68 L74 P90 V93 F127 W143 F144L66-V70 WeakPolarHBondContact O-CB 3.35Å; L66-V70 VanDerWaalsContact O-CG2 3.26Å; L66-V70 WeakPolarHBondContact O-CG2 3.42Å; L66-V70 PolarHBondContact O-N 2.94Å; A68-V70 PolarHBondContact O-N 3.29Å; V70-L74 WeakPolarHBondContact O-CD1 3.35Å; V70-L74 VanDerWaalsContact O-CG 3.28Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-P90 HydrophobicContact CB-CB 4.09Å; V70-P90 HydrophobicContact CB-CG 4.33Å; V70-P90 HydrophobicContact CG1-CB 3.71Å; V70-P90 HydrophobicContact CG1-CG 4.24Å; V70-V93 HydrophobicContact CG1-CB 4.1Å; V70-V93 HydrophobicContact CG1-CG1 4.23Å; V70-V93 HydrophobicContact CG1-CG2 4.06Å; V70-F127 HydrophobicContact CB-CE2 4.49Å; V70-F127 HydrophobicContact CB-CZ 4.29Å; V70-F127 HydrophobicContact CG1-CE2 4.39Å; V70-F127 HydrophobicContact CG2-CE2 4.43Å; V70-F127 HydrophobicContact CG2-CZ 4.09Å; V70-W143 HydrophobicContact CG2-CH2 3.94Å; V70-W143 HydrophobicContact CG2-CZ3 4.34Å; V70-F144 HydrophobicContact CG2-CE1 3.91Å; V70-F144 HydrophobicContact CG2-CZ 4.34Å
71A91.1Very high89.7Confident36 Ų3657.2 Ų57.230%0.29831%0.311SS..Hα-helixtrans-77.8-23.3176.100000113H67 A68 L69 G73 L74 P90H67-A71 WeakPolarHBondContact O-CB 3.41Å; H67-A71 PolarHBondContact O-N 3.07Å; A68-A71 PolarHBondContact O-N 3.44Å; L69-A71 VanDerWaalsContact C-N 3.32Å; A71-G73 PolarHBondContact O-N 3.11Å; A71-L74 WeakPolarHBondContact O-CB 3.46Å; A71-L74 PolarHBondContact O-N 3.24Å; A71-L74 VanDerWaalsContact O-N 3.14Å; A71-P90 HydrophobicContact CB-CG 3.87Å
72D88.4Confident89Confident23 Ų2363.6 Ų63.612%0.12334%0.343CS..THydrogen-bonded Turntrans-62.4131.2178.8-170.575.1000110.4Q14 L18 A68 L69 L74 W154Q14-D72 PolarHBondContact NE2-OD1 3.34Å; L18-D72 HydrophobicContact CD1-CB 3.58Å; A68-D72 PolarHBondContact O-N 2.93Å; L69-D72 WeakPolarHBondContact O-CB 3.3Å; L69-D72 PolarHBondContact O-N 3.08Å; D72-L74 PolarHBondContact O-N 3.47Å; D72-W154 HydrophobicContact CB-CZ2 3.89Å; D72-W154 PolarHBondContact OD2-NE1 3.43Å
73G75.1Confident88.3Confident64 Ų6467.4 Ų67.466%0.6637%0.367SS*.THydrogen-bonded Turntrans73.9-0-176.400000115.7A71 K75A71-G73 PolarHBondContact O-N 3.11Å; G73-K75 PolarHBondContact O-N 3.33Å
74L82.1Confident87.8Confident60 Ų6069.9 Ų69.931%0.31439%0.392SS..  trans-70.6129.4172.7-66.5-173.8000111V70 A71 D72 V93V70-L74 WeakPolarHBondContact O-CD1 3.35Å; V70-L74 VanDerWaalsContact O-CG 3.28Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; A71-L74 WeakPolarHBondContact O-CB 3.46Å; A71-L74 PolarHBondContact O-N 3.24Å; A71-L74 VanDerWaalsContact O-N 3.14Å; D72-L74 PolarHBondContact O-N 3.47Å; L74-V93 HydrophobicContact CD1-CG2 3.86Å; L74-V93 HydrophobicContact CD2-CG2 3.65Å; L74-V93 HydrophobicContact CG-CG2 4.4Å
75K81.6Confident87.1Confident163 Ų16373.5 Ų73.571%0.70941%0.405SS*.  trans-58.7135.8167.1-66.3-178.8-178.5177.50108.9G73 F77 S88G73-K75 PolarHBondContact O-N 3.33Å; K75-F77 PolarHBondContact O-N 3.23Å; K75-F77 VanDerWaalsContact O-N 3.1Å; K75-S88 WeakPolarHBondContact O-CB 3.34Å; K75-S88 PolarHBondContact O-OG 2.97Å
76P82.1Confident86.5Confident94 Ų9478.6 Ų78.661%0.6142%0.422SS*.SBendtrans-60.9-27.5-175.522.8-33.3000113.2R87 S88P76-R87 WeakPolarHBondContact O-CA 3.4Å; P76-S88 PolarHBondContact O-N 3.42Å
77F84.9Confident85.9Confident102 Ų10287.7 Ų87.745%0.44746%0.456SS..EExtended strand (participates in β ladder)trans-132145.8178.3-58.4-85.1000111.4K75 Q85 R86 R87K75-F77 PolarHBondContact O-N 3.23Å; K75-F77 VanDerWaalsContact O-N 3.1Å; F77-Q85 HydrophobicContact CB-CB 4.49Å; F77-R86 CarbonylContact C-O 3.58Å; F77-R86 WeakPolarHBondContact CA-O 3.48Å; F77-R87 HydrophobicContact CD1-CG 4.04Å; F77-R87 HydrophobicContact CE1-CG 3.61Å; F77-R87 HydrophobicContact CZ-CG 4.46Å
78R82.7Confident85.6Confident79 Ų7988.1 Ų88.130%0.29846%0.462SS..EExtended strand (participates in β ladder)trans-114.8150.1170.170.4178.7-170.6-172.6-5109.8Q85 R86 S88 S92 E95R78-Q85 CarbonylContact O-C 3.56Å; R78-Q85 VanDerWaalsContact O-CA 3.29Å; R78-Q85 WeakPolarHBondContact O-CA 3.42Å; R78-R86 HydrophobicContact CG-CB 4.32Å; R78-R86 PolarHBondContact N-O 2.96Å; R78-R86 PolarHBondContact O-N 3.42Å; R78-S88 PolarHBondContact N-OG 3.32Å; R78-S92 PolarHBondContact NH1-O 3.19Å; R78-E95 IonicContact CZ-OE2 3.52Å; R78-E95 IonicContact NH1-OE2 3.21Å; R78-E95 PolarHBondContact NH1-OE2 3.35Å; R78-E95 IonicContact NH2-OE2 2.86Å; R78-E95 PolarHBondContact NH2-OE2 3Å
79K84.1Confident85.4Confident204 Ų20487.2 Ų87.289%0.88745%0.453SS*.EExtended strand (participates in β ladder)trans-64.5135.3173.1-67.8-173.3177.4-177.20109.8
80D84.3Confident85.4Confident25 Ų2586.9 Ų86.913%0.13445%0.451CS..EExtended strand (participates in β ladder)trans-132.5128.2180-175.2-41000107.5I82 T83 G84 R86D80-I82 PolarHBondContact O-N 3.42Å; D80-I82 PolarHBondContact OD1-N 3.36Å; D80-T83 WeakPolarHBondContact CB-OG1 3.4Å; D80-T83 PolarHBondContact OD1-N 2.98Å; D80-T83 PolarHBondContact OD2-OG1 3.14Å; D80-G84 PolarHBondContact N-O 3.08Å; D80-G84 CarbonylContact O-C 3.52Å; D80-G84 WeakPolarHBondContact O-CA 3.42Å; D80-G84 PolarHBondContact O-N 2.9Å; D80-R86 HydrophobicContact CB-CB 3.98Å; D80-R86 IonicContact OD2-CZ 3.55Å; D80-R86 IonicContact OD2-NE 2.89Å; D80-R86 PolarHBondContact OD2-NE 2.7Å; D80-R86 IonicContact OD2-NH2 3.58Å
81L83.3Confident85.5Confident187 Ų18786.5 Ų86.598%0.97945%0.449SS*.THydrogen-bonded Turntrans-69.5-22.7-175.5-66.8172.7000113
82I83Confident85.5Confident154 Ų15485.3 Ų85.379%0.7944%0.438SS*.THydrogen-bonded Turntrans-91.7-43.4-175.8-57.1171.7000110.2D80D80-I82 PolarHBondContact O-N 3.42Å; D80-I82 PolarHBondContact OD1-N 3.36Å
83T83.5Confident85.6Confident86 Ų8685.7 Ų85.753%0.52844%0.442SS..THydrogen-bonded Turntrans-109.61.9-172.4540000113.4D80 Q85D80-T83 WeakPolarHBondContact CB-OG1 3.4Å; D80-T83 PolarHBondContact OD1-N 2.98Å; D80-T83 PolarHBondContact OD2-OG1 3.14Å; T83-Q85 PolarHBondContact O-N 2.78Å; T83-Q85 PolarHBondContact OG1-O 3.28Å
84G88.5Confident86.4Confident51 Ų5182.7 Ų82.753%0.52641%0.41SS..EExtended strand (participates in β ladder)trans77.2-50.9-171.400000112.4D80D80-G84 PolarHBondContact N-O 3.08Å; D80-G84 CarbonylContact O-C 3.52Å; D80-G84 WeakPolarHBondContact O-CA 3.42Å; D80-G84 PolarHBondContact O-N 2.9Å
85Q82.6Confident86.7Confident123 Ų12381.9 Ų81.958%0.57541%0.405SS*.EExtended strand (participates in β ladder)trans-145.9143.7178.959.4-178.6-22.300112.5F77 R78 T83F77-Q85 HydrophobicContact CB-CB 4.49Å; R78-Q85 CarbonylContact O-C 3.56Å; R78-Q85 VanDerWaalsContact O-CA 3.29Å; R78-Q85 WeakPolarHBondContact O-CA 3.42Å; T83-Q85 PolarHBondContact O-N 2.78Å; T83-Q85 PolarHBondContact OG1-O 3.28Å
86R84.7Confident86.9Confident116 Ų11676.2 Ų76.244%0.43839%0.388SS..EExtended strand (participates in β ladder)trans-128143.7176-175.8-177-74-147.6-10.6110F77 R78 D80 S88F77-R86 CarbonylContact C-O 3.58Å; F77-R86 WeakPolarHBondContact CA-O 3.48Å; R78-R86 HydrophobicContact CG-CB 4.32Å; R78-R86 PolarHBondContact N-O 2.96Å; R78-R86 PolarHBondContact O-N 3.42Å; D80-R86 HydrophobicContact CB-CB 3.98Å; D80-R86 IonicContact OD2-CZ 3.55Å; D80-R86 IonicContact OD2-NE 2.89Å; D80-R86 PolarHBondContact OD2-NE 2.7Å; D80-R86 IonicContact OD2-NH2 3.58Å; R86-S88 PolarHBondContact O-N 3.31Å
87R85.7Confident87.1Confident194 Ų19472.3 Ų72.373%0.73236%0.364SS*.EExtended strand (participates in β ladder)trans-58.3128.9173.1-70-17372.1175.74110.5P76 F77P76-R87 WeakPolarHBondContact O-CA 3.4Å; F77-R87 HydrophobicContact CD1-CG 4.04Å; F77-R87 HydrophobicContact CE1-CG 3.61Å; F77-R87 HydrophobicContact CZ-CG 4.46Å
88S88.2Confident87Confident30 Ų3068.3 Ų68.321%0.2135%0.348CS..  trans-74.8148.6171.8-54.80000110K75 P76 R78 R86K75-S88 WeakPolarHBondContact O-CB 3.34Å; K75-S88 PolarHBondContact O-OG 2.97Å; P76-S88 PolarHBondContact O-N 3.42Å; R78-S88 PolarHBondContact N-OG 3.32Å; R86-S88 PolarHBondContact O-N 3.31Å
89S92.5Very high86.3Confident20 Ų2071.1 Ų71.114%0.1436%0.362CS..  trans-151.7164.2174.662.40000109.3W91 S92 V93S89-W91 PolarHBondContact O-N 3.14Å; S89-W91 VanDerWaalsContact O-N 3.14Å; S89-S92 PolarHBondContact N-OG 3.39Å; S89-S92 WeakPolarHBondContact O-CA 3.15Å; S89-S92 WeakPolarHBondContact O-CB 3.45Å; S89-S92 PolarHBondContact O-N 3.19Å; S89-S92 PolarHBondContact OG-N 3.15Å; S89-S92 PolarHBondContact OG-OG 3.21Å; S89-V93 PolarHBondContact O-N 3.04Å
90P94Very high85.1Confident3 Ų368.1 Ų68.12%0.01936%0.363CS..Hα-helixtrans-54.1-31.9171.3-32.340.7000113.6V70 A71 S92 V93 V94 F127V70-P90 HydrophobicContact CB-CB 4.09Å; V70-P90 HydrophobicContact CB-CG 4.33Å; V70-P90 HydrophobicContact CG1-CB 3.71Å; V70-P90 HydrophobicContact CG1-CG 4.24Å; A71-P90 HydrophobicContact CB-CG 3.87Å; P90-S92 VanDerWaalsContact C-N 3.3Å; P90-S92 PolarHBondContact O-N 3.34Å; P90-V93 WeakPolarHBondContact O-CB 3.49Å; P90-V93 PolarHBondContact O-N 3.48Å; P90-V93 VanDerWaalsContact O-N 3.13Å; P90-V94 PolarHBondContact O-N 3.42Å; P90-V94 VanDerWaalsContact O-N 3.07Å; P90-F127 HydrophobicContact CB-CD1 4.24Å; P90-F127 HydrophobicContact CB-CD2 3.44Å; P90-F127 VanDerWaalsContact CB-CD2 3.44Å; P90-F127 HydrophobicContact CB-CE1 4.31Å; P90-F127 HydrophobicContact CB-CE2 3.48Å; P90-F127 VanDerWaalsContact CB-CE2 3.48Å; P90-F127 HydrophobicContact CB-CG 3.84Å; P90-F127 HydrophobicContact CB-CZ 3.94Å
91W93.8Very high83.8Confident2 Ų271 Ų711%0.00840%0.398CS..Hα-helixtrans-61.9-36.9172.4-176.4-103.9000113S89 V93 V94 E95 Y111 V114 S115 R126 F130S89-W91 PolarHBondContact O-N 3.14Å; S89-W91 VanDerWaalsContact O-N 3.14Å; W91-V93 VanDerWaalsContact C-N 3.25Å; W91-V93 PolarHBondContact O-N 3.45Å; W91-V94 HydrophobicContact CE3-CB 4.26Å; W91-V94 HydrophobicContact CE3-CG1 4.33Å; W91-V94 HydrophobicContact CE3-CG2 4.48Å; W91-V94 HydrophobicContact CZ3-CG1 4.08Å; W91-V94 WeakPolarHBondContact O-CB 3.46Å; W91-V94 PolarHBondContact O-N 2.99Å; W91-E95 VanDerWaalsContact CD1-OE1 3.29Å; W91-E95 PolarHBondContact NE1-OE1 2.8Å; W91-E95 WeakPolarHBondContact O-CG 3.48Å; W91-E95 PolarHBondContact O-N 2.86Å; W91-Y111 AromaticContact CH2-CD2 3.87Å; W91-Y111 HydrophobicContact CH2-CD2 3.87Å; W91-Y111 HydrophobicContact CH2-CE2 4.02Å; W91-Y111 AromaticContact CZ2-CD2 3.95Å; W91-Y111 HydrophobicContact CZ2-CD2 3.95Å; W91-Y111 AromaticContact CZ2-CE2 3.6Å; W91-Y111 HydrophobicContact CZ2-CE2 3.6Å; W91-V114 HydrophobicContact CH2-CB 4.15Å; W91-V114 HydrophobicContact CH2-CG1 3.66Å; W91-V114 HydrophobicContact CZ3-CG1 3.85Å; W91-S115 WeakPolarHBondContact CZ2-OG 3.44Å; W91-R126 HydrophobicContact CD2-CB 3.68Å; W91-R126 HydrophobicContact CE3-CB 3.53Å; W91-R126 HydrophobicContact CG-CB 4.38Å; W91-R126 HydrophobicContact CH2-CB 4Å; W91-R126 HydrophobicContact CZ2-CB 4.14Å; W91-R126 HydrophobicContact CZ3-CB 3.71Å; W91-R126 WeakPolarHBondContact CZ3-O 3.29Å; W91-R126 VanDerWaalsContact NE1-NH1 3.2Å; W91-F130 HydrophobicContact CZ3-CB 4.05Å
92S90.3Very high82.6Confident11 Ų1165 Ų658%0.07737%0.372CS..Hα-helixtrans-64.5-29.8174.9-60.50000113R78 S89 P90 A96R78-S92 PolarHBondContact NH1-O 3.19Å; S89-S92 PolarHBondContact N-OG 3.39Å; S89-S92 WeakPolarHBondContact O-CA 3.15Å; S89-S92 WeakPolarHBondContact O-CB 3.45Å; S89-S92 PolarHBondContact O-N 3.19Å; S89-S92 PolarHBondContact OG-N 3.15Å; S89-S92 PolarHBondContact OG-OG 3.21Å; P90-S92 VanDerWaalsContact C-N 3.3Å; P90-S92 PolarHBondContact O-N 3.34Å; S92-A96 PolarHBondContact O-N 3.24Å
93V90.6Very high81.2Confident32 Ų3263.8 Ų63.819%0.19438%0.377CS..Hα-helixtrans-71.2-43.8172.5-178.30000110.1V70 L74 S89 P90 W91 E95 A96 S97 L147V70-V93 HydrophobicContact CG1-CB 4.1Å; V70-V93 HydrophobicContact CG1-CG1 4.23Å; V70-V93 HydrophobicContact CG1-CG2 4.06Å; L74-V93 HydrophobicContact CD1-CG2 3.86Å; L74-V93 HydrophobicContact CD2-CG2 3.65Å; L74-V93 HydrophobicContact CG-CG2 4.4Å; S89-V93 PolarHBondContact O-N 3.04Å; P90-V93 WeakPolarHBondContact O-CB 3.49Å; P90-V93 PolarHBondContact O-N 3.48Å; P90-V93 VanDerWaalsContact O-N 3.13Å; W91-V93 VanDerWaalsContact C-N 3.25Å; W91-V93 PolarHBondContact O-N 3.45Å; V93-E95 VanDerWaalsContact C-N 3.35Å; V93-E95 PolarHBondContact O-N 3.05Å; V93-A96 PolarHBondContact O-N 3Å; V93-A96 VanDerWaalsContact O-N 3.08Å; V93-S97 PolarHBondContact O-N 3.41Å; V93-S97 PolarHBondContact O-OG 3.29Å; V93-L147 HydrophobicContact CG1-CD1 4.27Å; V93-L147 HydrophobicContact CG1-CD2 3.68Å
94V91.8Very high80.5Confident0 Ų061.1 Ų61.10%036%0.361CS..Hα-helixtrans-55.2-50.9173.4175.80000110.4P90 W91 A96 S97 V98 Y111 F127 F130 W143P90-V94 PolarHBondContact O-N 3.42Å; P90-V94 VanDerWaalsContact O-N 3.07Å; W91-V94 HydrophobicContact CE3-CB 4.26Å; W91-V94 HydrophobicContact CE3-CG1 4.33Å; W91-V94 HydrophobicContact CE3-CG2 4.48Å; W91-V94 HydrophobicContact CZ3-CG1 4.08Å; W91-V94 WeakPolarHBondContact O-CB 3.46Å; W91-V94 PolarHBondContact O-N 2.99Å; V94-A96 PolarHBondContact O-N 3.44Å; V94-S97 PolarHBondContact O-N 3.29Å; V94-S97 VanDerWaalsContact O-N 3.11Å; V94-S97 PolarHBondContact O-OG 3.16Å; V94-V98 WeakPolarHBondContact O-CG2 3.33Å; V94-V98 PolarHBondContact O-N 3.05Å; V94-Y111 HydrophobicContact CG1-CD2 4.05Å; V94-F127 HydrophobicContact CG2-CD2 3.89Å; V94-F127 HydrophobicContact CG2-CE2 4.15Å; V94-F130 HydrophobicContact CB-CD1 4.49Å; V94-F130 HydrophobicContact CB-CE1 4.44Å; V94-F130 HydrophobicContact CG1-CD1 3.89Å; V94-F130 HydrophobicContact CG1-CD2 3.91Å; V94-F130 HydrophobicContact CG1-CE1 3.74Å; V94-F130 HydrophobicContact CG1-CE2 3.79Å; V94-F130 HydrophobicContact CG1-CG 3.97Å; V94-F130 HydrophobicContact CG1-CZ 3.71Å; V94-F130 HydrophobicContact CG2-CD1 3.7Å; V94-F130 HydrophobicContact CG2-CE1 3.85Å; V94-F130 HydrophobicContact CG2-CG 4.34Å; V94-W143 HydrophobicContact CG2-CH2 4.34Å; V94-W143 HydrophobicContact CG2-CZ2 3.65Å
95E89.3Confident80.1Confident43 Ų4369.4 Ų69.420%0.20138%0.377CS..Hα-helixtrans-53.8-39.4175.9-70.9173165.300112.6R78 W91 V93 Y111R78-E95 IonicContact CZ-OE2 3.52Å; R78-E95 IonicContact NH1-OE2 3.21Å; R78-E95 PolarHBondContact NH1-OE2 3.35Å; R78-E95 IonicContact NH2-OE2 2.86Å; R78-E95 PolarHBondContact NH2-OE2 3Å; W91-E95 VanDerWaalsContact CD1-OE1 3.29Å; W91-E95 PolarHBondContact NE1-OE1 2.8Å; W91-E95 WeakPolarHBondContact O-CG 3.48Å; W91-E95 PolarHBondContact O-N 2.86Å; V93-E95 VanDerWaalsContact C-N 3.35Å; V93-E95 PolarHBondContact O-N 3.05Å; E95-Y111 HydrophobicContact CB-CE2 4.5Å; E95-Y111 HydrophobicContact CG-CE2 3.83Å
96A85.5Confident80.3Confident44 Ų4466.1 Ų66.136%0.36437%0.367SS..Hα-helixtrans-74.1-33.3179.900000113S92 V93 V94 K99S92-A96 PolarHBondContact O-N 3.24Å; V93-A96 PolarHBondContact O-N 3Å; V93-A96 VanDerWaalsContact O-N 3.08Å; V94-A96 PolarHBondContact O-N 3.44Å; A96-K99 WeakPolarHBondContact O-CD 3.27Å; A96-K99 WeakPolarHBondContact O-CG 3.4Å
97S85.4Confident80.4Confident13 Ų1360.6 Ų60.69%0.09135%0.346CS..Hα-helixtrans-74-23.2-177.766.40000114.3V93 V94 W143V93-S97 PolarHBondContact O-N 3.41Å; V93-S97 PolarHBondContact O-OG 3.29Å; V94-S97 PolarHBondContact O-N 3.29Å; V94-S97 VanDerWaalsContact O-N 3.11Å; V94-S97 PolarHBondContact O-OG 3.16Å; S97-W143 PolarHBondContact OG-NE1 2.9Å; S97-W143 VanDerWaalsContact OG-NE1 3.13Å
98V82.6Confident80.6Confident18 Ų1852.7 Ų52.711%0.10933%0.325CS..THydrogen-bonded Turntrans-104.123-176.3-61.70000113.3V94 L107 Y111V94-V98 WeakPolarHBondContact O-CG2 3.33Å; V94-V98 PolarHBondContact O-N 3.05Å; V98-L107 HydrophobicContact CG1-CB 4.1Å; V98-Y111 HydrophobicContact CB-CG 4.42Å; V98-Y111 HydrophobicContact CG2-CD1 3.67Å; V98-Y111 HydrophobicContact CG2-CD2 3.81Å; V98-Y111 HydrophobicContact CG2-CE1 4.15Å; V98-Y111 HydrophobicContact CG2-CE2 4.26Å; V98-Y111 HydrophobicContact CG2-CG 3.48Å; V98-Y111 VanDerWaalsContact CG2-CG 3.48Å
99K69.6Low80.7Confident137 Ų13754.5 Ų54.560%0.59634%0.335SS*.  trans-56.3142.4-179.3-80.3173-176171.20111.8A96 G101 S102A96-K99 WeakPolarHBondContact O-CD 3.27Å; A96-K99 WeakPolarHBondContact O-CG 3.4Å; K99-G101 PolarHBondContact O-N 3.23Å; K99-S102 PolarHBondContact O-N 2.61Å
100P57.1Low80.7Confident141 Ų14153.8 Ų53.892%0.91633%0.329SS*.THydrogen-bonded Turntrans-55.8122.6178.5-20.630.6000110.7
101G57.2Low80.6Confident85 Ų8556.8 Ų56.888%0.87634%0.341SS*.THydrogen-bonded Turntrans114.7-11.4-179.600000115.4K99K99-G101 PolarHBondContact O-N 3.23Å
102S58.4Low80.4Confident61 Ų6159.3 Ų59.343%0.42736%0.359SS..SBendtrans-81.7144.6171.595.20000111.6K99 T104K99-S102 PolarHBondContact O-N 2.61Å; S102-T104 PolarHBondContact O-N 3.16Å
103S54.2Low80.4Confident129 Ų12962.3 Ų62.390%0.90237%0.372SS*.SBendtrans-67.619-165.5-43.80000116.5
104T68.6Low80.5Confident30 Ų3061 Ų6118%0.18436%0.364CS..  trans-124.570.4-170.959.10000112.7S102 S106 L107 G108 L142S102-T104 PolarHBondContact O-N 3.16Å; T104-S106 PolarHBondContact O-N 3.45Å; T104-L107 HydrophobicContact CG2-CD1 4.11Å; T104-L107 PolarHBondContact O-N 3.2Å; T104-G108 PolarHBondContact O-N 3.47Å; T104-L142 HydrophobicContact CG2-CD2 4.27Å
105R80.1Confident80.4Confident226 Ų22663.2 Ų63.285%0.85338%0.379SS*.Hα-helixtrans-50.2-33.8177.5-171.8-177-68.6-167.1-0.2113.1T109R105-T109 PolarHBondContact O-N 3.41Å; R105-T109 PolarHBondContact O-OG1 3.24Å
106S86.2Confident80.3Confident53 Ų5368 Ų6837%0.37140%0.395SS..Hα-helixtrans-65.5-43.8176.550.30000113.2T104 T109 L110 Q139T104-S106 PolarHBondContact O-N 3.45Å; S106-T109 PolarHBondContact O-N 3.48Å; S106-L110 PolarHBondContact O-N 3.33Å; S106-Q139 VanDerWaalsContact CB-OE1 3.28Å; S106-Q139 PolarHBondContact OG-OE1 3.08Å
107L88.1Confident80.3Confident1 Ų168.5 Ų68.51%0.00539%0.391CS..Hα-helixtrans-67.5-40.9177.2-67-177.8000111.4V98 T104 T109 L110 Y111 L134 Q139 W143V98-L107 HydrophobicContact CG1-CB 4.1Å; T104-L107 HydrophobicContact CG2-CD1 4.11Å; T104-L107 PolarHBondContact O-N 3.2Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3.27Å; L107-L110 PolarHBondContact O-N 3.04Å; L107-Y111 WeakPolarHBondContact O-CB 3.27Å; L107-Y111 PolarHBondContact O-N 3.01Å; L107-L134 HydrophobicContact CD2-CD2 3.42Å; L107-L134 VanDerWaalsContact CD2-CD2 3.42Å; L107-Q139 HydrophobicContact CD2-CB 4.2Å; L107-W143 HydrophobicContact CD1-CB 4.4Å; L107-W143 HydrophobicContact CD2-CB 4.47Å
108G89.6Confident79.7Confident27 Ų2772.5 Ų72.528%0.27843%0.425SS..Hα-helixtrans-60.9-40.2173.600000112.7T104 Y111 S112T104-G108 PolarHBondContact O-N 3.47Å; G108-Y111 PolarHBondContact O-N 2.97Å; G108-S112 WeakPolarHBondContact O-CB 3.32Å; G108-S112 PolarHBondContact O-N 3.21Å
109T90.6Very high79.6Confident69 Ų6975.6 Ų75.642%0.42345%0.446SS..Hα-helixtrans-63.2-46.9175.4-58.80000111.3R105 S106 L107 S112 Q113R105-T109 PolarHBondContact O-N 3.41Å; R105-T109 PolarHBondContact O-OG1 3.24Å; S106-T109 PolarHBondContact O-N 3.48Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3.27Å; T109-S112 PolarHBondContact O-N 3.46Å; T109-Q113 VanDerWaalsContact O-CG 3.31Å; T109-Q113 WeakPolarHBondContact O-CG 3.47Å; T109-Q113 PolarHBondContact O-N 3.1Å
110L91.3Very high80.1Confident4 Ų469.7 Ų69.72%0.02142%0.421CS..Hα-helixtrans-60.1-48.3177173.255.8000111.7S106 L107 S112 Q113 V114 F130 L134 W208S106-L110 PolarHBondContact O-N 3.33Å; L107-L110 PolarHBondContact O-N 3.04Å; L110-S112 VanDerWaalsContact C-N 3.35Å; L110-S112 PolarHBondContact O-N 2.89Å; L110-Q113 WeakPolarHBondContact O-CB 3.28Å; L110-Q113 PolarHBondContact O-N 3.41Å; L110-V114 HydrophobicContact CD1-CG2 3.96Å; L110-V114 WeakPolarHBondContact O-CG2 3.12Å; L110-V114 PolarHBondContact O-N 3.25Å; L110-F130 HydrophobicContact CB-CE2 4.36Å; L110-F130 HydrophobicContact CD2-CD2 3.86Å; L110-F130 HydrophobicContact CD2-CE2 3.72Å; L110-F130 HydrophobicContact CD2-CZ 4.36Å; L110-F130 HydrophobicContact CG-CD2 3.73Å; L110-F130 HydrophobicContact CG-CE2 3.73Å; L110-L134 HydrophobicContact CD2-CD2 3.75Å; L110-L134 HydrophobicContact CD2-CG 4.08Å; L110-W208 HydrophobicContact CD1-CH2 3.62Å; L110-W208 HydrophobicContact CD1-CZ3 3.34Å; L110-W208 HydrophobicContact CD2-CH2 4.42Å
111Y92.1Very high81.1Confident66 Ų6668.4 Ų68.426%0.25942%0.415SS..Hα-helixtrans-56.5-47.7176.4165.5-101.2000112.1W91 V94 E95 V98 L107 G108 Q113 V114 S115W91-Y111 AromaticContact CH2-CD2 3.87Å; W91-Y111 HydrophobicContact CH2-CD2 3.87Å; W91-Y111 HydrophobicContact CH2-CE2 4.02Å; W91-Y111 AromaticContact CZ2-CD2 3.95Å; W91-Y111 HydrophobicContact CZ2-CD2 3.95Å; W91-Y111 AromaticContact CZ2-CE2 3.6Å; W91-Y111 HydrophobicContact CZ2-CE2 3.6Å; V94-Y111 HydrophobicContact CG1-CD2 4.05Å; E95-Y111 HydrophobicContact CB-CE2 4.5Å; E95-Y111 HydrophobicContact CG-CE2 3.83Å; V98-Y111 HydrophobicContact CB-CG 4.42Å; V98-Y111 HydrophobicContact CG2-CD1 3.67Å; V98-Y111 HydrophobicContact CG2-CD2 3.81Å; V98-Y111 HydrophobicContact CG2-CE1 4.15Å; V98-Y111 HydrophobicContact CG2-CE2 4.26Å; V98-Y111 HydrophobicContact CG2-CG 3.48Å; V98-Y111 VanDerWaalsContact CG2-CG 3.48Å; L107-Y111 WeakPolarHBondContact O-CB 3.27Å; L107-Y111 PolarHBondContact O-N 3.01Å; G108-Y111 PolarHBondContact O-N 2.97Å; Y111-Q113 VanDerWaalsContact C-N 3.32Å; Y111-Q113 PolarHBondContact O-N 2.89Å; Y111-V114 PolarHBondContact O-N 3.02Å; Y111-S115 VanDerWaalsContact CE2-OG 3.3Å; Y111-S115 WeakPolarHBondContact CE2-OG 3.47Å; Y111-S115 VanDerWaalsContact O-CB 3.29Å; Y111-S115 WeakPolarHBondContact O-CB 3.4Å; Y111-S115 PolarHBondContact O-N 3.17Å; Y111-S115 PolarHBondContact O-OG 3.49Å
112S90.3Very high82.7Confident55 Ų5566.4 Ų66.439%0.38539%0.387SS..Hα-helixtrans-61.3-40.7178.6177.50000112G108 T109 L110 R116G108-S112 WeakPolarHBondContact O-CB 3.32Å; G108-S112 PolarHBondContact O-N 3.21Å; T109-S112 PolarHBondContact O-N 3.46Å; L110-S112 VanDerWaalsContact C-N 3.35Å; L110-S112 PolarHBondContact O-N 2.89Å; S112-R116 WeakPolarHBondContact O-CB 3.5Å; S112-R116 WeakPolarHBondContact O-CG 3.19Å; S112-R116 PolarHBondContact O-N 3.1Å
113Q90.9Very high84.3Confident75 Ų7565.5 Ų65.535%0.3538%0.381SS..Hα-helixtrans-61.8-51.9175.6-72.8176.1-3.400111.5T109 L110 Y111 S115 R116 L117T109-Q113 VanDerWaalsContact O-CG 3.31Å; T109-Q113 WeakPolarHBondContact O-CG 3.47Å; T109-Q113 PolarHBondContact O-N 3.1Å; L110-Q113 WeakPolarHBondContact O-CB 3.28Å; L110-Q113 PolarHBondContact O-N 3.41Å; Y111-Q113 VanDerWaalsContact C-N 3.32Å; Y111-Q113 PolarHBondContact O-N 2.89Å; Q113-S115 PolarHBondContact O-N 3.33Å; Q113-R116 PolarHBondContact O-N 2.87Å; Q113-L117 WeakPolarHBondContact O-CG 3.49Å; Q113-L117 PolarHBondContact O-N 3.02Å
114V92.4Very high86.2Confident5 Ų565.6 Ų65.63%0.0336%0.362CS..Hα-helixtrans-63.7-40.9-178.7174.70000111.7W91 L110 Y111 R116 L117 L120 R126 A129W91-V114 HydrophobicContact CH2-CB 4.15Å; W91-V114 HydrophobicContact CH2-CG1 3.66Å; W91-V114 HydrophobicContact CZ3-CG1 3.85Å; L110-V114 HydrophobicContact CD1-CG2 3.96Å; L110-V114 WeakPolarHBondContact O-CG2 3.12Å; L110-V114 PolarHBondContact O-N 3.25Å; Y111-V114 PolarHBondContact O-N 3.02Å; V114-R116 PolarHBondContact O-N 2.79Å; V114-L117 WeakPolarHBondContact O-CB 3.47Å; V114-L117 PolarHBondContact O-N 3.44Å; V114-L117 VanDerWaalsContact O-N 3.16Å; V114-L120 HydrophobicContact CG1-CD1 4.06Å; V114-R126 HydrophobicContact CG1-CB 4.23Å; V114-R126 WeakPolarHBondContact CG1-O 3.33Å; V114-A129 HydrophobicContact CG1-CB 3.95Å; V114-A129 HydrophobicContact CG2-CB 4.43Å
115S88.6Confident87.4Confident46 Ų4665 Ų6532%0.32236%0.359SS..Hα-helixtrans-62.8-27.9179.7-60.30000113.3W91 Y111 Q113W91-S115 WeakPolarHBondContact CZ2-OG 3.44Å; Y111-S115 VanDerWaalsContact CE2-OG 3.3Å; Y111-S115 WeakPolarHBondContact CE2-OG 3.47Å; Y111-S115 VanDerWaalsContact O-CB 3.29Å; Y111-S115 WeakPolarHBondContact O-CB 3.4Å; Y111-S115 PolarHBondContact O-N 3.17Å; Y111-S115 PolarHBondContact O-OG 3.49Å; Q113-S115 PolarHBondContact O-N 3.33Å
116R88Confident88.1Confident144 Ų14457 Ų5754%0.54333%0.329SS..THydrogen-bonded Turntrans-89.6-3.8179.6-74.6173.646.5-115.4-10.2114S112 Q113 V114 A118S112-R116 WeakPolarHBondContact O-CB 3.5Å; S112-R116 WeakPolarHBondContact O-CG 3.19Å; S112-R116 PolarHBondContact O-N 3.1Å; Q113-R116 PolarHBondContact O-N 2.87Å; V114-R116 PolarHBondContact O-N 2.79Å; R116-A118 PolarHBondContact O-N 3.13Å
117L85Confident88.5Confident53 Ų5354.5 Ų54.528%0.27731%0.311SS..  trans-74.594.5177.6-68.1174000109.9Q113 V114 P119 L120 L209Q113-L117 WeakPolarHBondContact O-CG 3.49Å; Q113-L117 PolarHBondContact O-N 3.02Å; V114-L117 WeakPolarHBondContact O-CB 3.47Å; V114-L117 PolarHBondContact O-N 3.44Å; V114-L117 VanDerWaalsContact O-N 3.16Å; L117-P119 VanDerWaalsContact C-N 3.26Å; L117-P119 VanDerWaalsContact O-N 3.12Å; L117-L120 HydrophobicContact CB-CD1 3.79Å; L117-L120 HydrophobicContact CB-CG 3.9Å; L117-L120 HydrophobicContact CD1-CD1 3.76Å; L117-L120 HydrophobicContact CG-CD1 4.42Å; L117-L120 PolarHBondContact O-N 3.17Å; L117-L209 HydrophobicContact CD1-CD1 4.09Å; L117-L209 HydrophobicContact CD2-CD1 4.49Å
118A73.3Confident88.9Confident97 Ų9755.5 Ų55.580%0.80232%0.316SS*.THydrogen-bonded Turntrans-48.7-34.4179.200000115.5R116 L120R116-A118 PolarHBondContact O-N 3.13Å; A118-L120 PolarHBondContact O-N 3.35Å
119P80.4Confident89.2Confident83 Ų8354.5 Ų54.554%0.53931%0.305SS..THydrogen-bonded Turntrans-66.8-16.9177.1-23.235.3000115.1L117 S121L117-P119 VanDerWaalsContact C-N 3.26Å; L117-P119 VanDerWaalsContact O-N 3.12Å; P119-S121 PolarHBondContact O-N 3.16Å
120L80.4Confident89.5Confident14 Ų1451.2 Ų51.27%0.07329%0.285CS..  trans-88.285.6-175-57.2-176.8000110.9V114 L117 A118 R126 A129 L243 V246V114-L120 HydrophobicContact CG1-CD1 4.06Å; L117-L120 HydrophobicContact CB-CD1 3.79Å; L117-L120 HydrophobicContact CB-CG 3.9Å; L117-L120 HydrophobicContact CD1-CD1 3.76Å; L117-L120 HydrophobicContact CG-CD1 4.42Å; L117-L120 PolarHBondContact O-N 3.17Å; A118-L120 PolarHBondContact O-N 3.35Å; L120-R126 HydrophobicContact CB-CG 3.65Å; L120-R126 HydrophobicContact CD1-CG 4.14Å; L120-A129 HydrophobicContact CD1-CB 3.62Å; L120-L243 HydrophobicContact CD2-CD2 3.89Å; L120-V246 HydrophobicContact CD2-CG1 3.94Å
121S78.1Confident89.7Confident114 Ų11451 Ų5180%0.79728%0.284SS*.  trans-74.8-28-177.458.30000114.2P119P119-S121 PolarHBondContact O-N 3.16Å
122S90.6Very high89.9Confident42 Ų4248.2 Ų48.229%0.29427%0.273SS..SBendtrans-106149.1-17490.70000113.3R124 S125 R126S122-R124 PolarHBondContact O-N 3.2Å; S122-R124 PolarHBondContact OG-N 3.49Å; S122-S125 PolarHBondContact O-N 3.23Å; S122-S125 WeakPolarHBondContact OG-CB 3.31Å; S122-S125 PolarHBondContact OG-N 2.88Å; S122-S125 PolarHBondContact OG-OG 3.18Å; S122-R126 WeakPolarHBondContact O-CG 2.89Å; S122-R126 PolarHBondContact O-N 3.18Å; S122-R126 PolarHBondContact O-NE 3Å
123S92.3Very high90.1Very high43 Ų4345.7 Ų45.730%0.30126%0.256SS..Hα-helixtrans-59.1-35.3171.8-60.20000112.2R126 F127S123-R126 PolarHBondContact O-N 3.43Å; S123-R126 PolarHBondContact OG-NH2 3.02Å; S123-F127 WeakPolarHBondContact O-CB 3.38Å; S123-F127 PolarHBondContact O-N 3.37Å
124R93.5Very high90.2Very high130 Ų13042.1 Ų42.149%0.49124%0.239SC..Hα-helixtrans-65.5-45.7177-177.1-179.4-67.7-92.44.4111.5S122 R126 F127 H128S122-R124 PolarHBondContact O-N 3.2Å; S122-R124 PolarHBondContact OG-N 3.49Å; R124-R126 PolarHBondContact O-N 3.3Å; R124-F127 WeakPolarHBondContact O-CB 3.4Å; R124-F127 PolarHBondContact O-N 3.36Å; R124-H128 PolarHBondContact O-CD2 3.45Å; R124-H128 PolarHBondContact O-N 3.04Å
125S93.8Very high90.3Very high18 Ų1842.8 Ų42.813%0.12624%0.242CC..Hα-helixtrans-63.3-41.3177.6-57.40000111.8S122 H128 A129S122-S125 PolarHBondContact O-N 3.23Å; S122-S125 WeakPolarHBondContact OG-CB 3.31Å; S122-S125 PolarHBondContact OG-N 2.88Å; S122-S125 PolarHBondContact OG-OG 3.18Å; S125-H128 PolarHBondContact O-N 3.19Å; S125-A129 WeakPolarHBondContact O-CB 3.44Å; S125-A129 PolarHBondContact O-N 3.29Å
126R94.7Very high90.4Very high59 Ų5941 Ų4122%0.22323%0.229CC..Hα-helixtrans-63.6-42.8173.9-72.4-177.9-78.6165.7-4.5112W91 V114 L120 S122 S123 R124 A129 F130W91-R126 HydrophobicContact CD2-CB 3.68Å; W91-R126 HydrophobicContact CE3-CB 3.53Å; W91-R126 HydrophobicContact CG-CB 4.38Å; W91-R126 HydrophobicContact CH2-CB 4Å; W91-R126 HydrophobicContact CZ2-CB 4.14Å; W91-R126 HydrophobicContact CZ3-CB 3.71Å; W91-R126 WeakPolarHBondContact CZ3-O 3.29Å; W91-R126 VanDerWaalsContact NE1-NH1 3.2Å; V114-R126 HydrophobicContact CG1-CB 4.23Å; V114-R126 WeakPolarHBondContact CG1-O 3.33Å; L120-R126 HydrophobicContact CB-CG 3.65Å; L120-R126 HydrophobicContact CD1-CG 4.14Å; S122-R126 WeakPolarHBondContact O-CG 2.89Å; S122-R126 PolarHBondContact O-N 3.18Å; S122-R126 PolarHBondContact O-NE 3Å; S123-R126 PolarHBondContact O-N 3.43Å; S123-R126 PolarHBondContact OG-NH2 3.02Å; R124-R126 PolarHBondContact O-N 3.3Å; R126-A129 PolarHBondContact O-N 3.16Å; R126-F130 WeakPolarHBondContact O-CB 3.34Å; R126-F130 PolarHBondContact O-N 3.2Å
127F95.9Very high90.5Very high0 Ų037 Ų370%022%0.221CC..Hα-helixtrans-60.5-47.9174.3-179.2-97.5000112H67 V70 P90 V94 S123 R124 A129 F130 I131 W143H67-F127 VanDerWaalsContact CA-CE1 3.44Å; H67-F127 HydrophobicContact CB-CD1 3.91Å; H67-F127 HydrophobicContact CB-CE1 3.65Å; H67-F127 AromaticContact CD2-CD1 3.75Å; V70-F127 HydrophobicContact CB-CE2 4.49Å; V70-F127 HydrophobicContact CB-CZ 4.29Å; V70-F127 HydrophobicContact CG1-CE2 4.39Å; V70-F127 HydrophobicContact CG2-CE2 4.43Å; V70-F127 HydrophobicContact CG2-CZ 4.09Å; P90-F127 HydrophobicContact CB-CD1 4.24Å; P90-F127 HydrophobicContact CB-CD2 3.44Å; P90-F127 VanDerWaalsContact CB-CD2 3.44Å; P90-F127 HydrophobicContact CB-CE1 4.31Å; P90-F127 HydrophobicContact CB-CE2 3.48Å; P90-F127 VanDerWaalsContact CB-CE2 3.48Å; P90-F127 HydrophobicContact CB-CG 3.84Å; P90-F127 HydrophobicContact CB-CZ 3.94Å; V94-F127 HydrophobicContact CG2-CD2 3.89Å; V94-F127 HydrophobicContact CG2-CE2 4.15Å; S123-F127 WeakPolarHBondContact O-CB 3.38Å; S123-F127 PolarHBondContact O-N 3.37Å; R124-F127 WeakPolarHBondContact O-CB 3.4Å; R124-F127 PolarHBondContact O-N 3.36Å; F127-A129 VanDerWaalsContact C-N 3.34Å; F127-A129 PolarHBondContact O-N 3.36Å; F127-F130 WeakPolarHBondContact O-CB 3.47Å; F127-F130 PolarHBondContact O-N 3.35Å; F127-F130 VanDerWaalsContact O-N 3.14Å; F127-I131 HydrophobicContact CD1-CG1 4.23Å; F127-I131 HydrophobicContact CE1-CD1 4.16Å; F127-I131 HydrophobicContact CE1-CG1 3.75Å; F127-I131 HydrophobicContact CE2-CD1 4.29Å; F127-I131 HydrophobicContact CZ-CD1 3.81Å; F127-I131 HydrophobicContact CZ-CG1 3.92Å; F127-I131 WeakPolarHBondContact O-CG1 3.49Å; F127-I131 PolarHBondContact O-N 2.98Å; F127-W143 AromaticContact CE2-CH2 3.81Å; F127-W143 HydrophobicContact CE2-CH2 3.81Å; F127-W143 HydrophobicContact CZ-CH2 4.27Å
128H95.9Very high90.8Very high22 Ų2241.8 Ų41.810%0.10224%0.239CC..Hα-helixtrans-59.7-44176.4-66.3-178.7000112L59 C63 R124 S125 F130 I131 L132L59-H128 HydrophobicContact CD2-CB 4.07Å; C63-H128 HydrophobicContact CB-CB 4.28Å; R124-H128 PolarHBondContact O-CD2 3.45Å; R124-H128 PolarHBondContact O-N 3.04Å; S125-H128 PolarHBondContact O-N 3.19Å; H128-F130 VanDerWaalsContact C-N 3.27Å; H128-F130 PolarHBondContact O-N 3.41Å; H128-I131 PolarHBondContact O-N 3.48Å; H128-L132 WeakPolarHBondContact O-CG 3.46Å; H128-L132 PolarHBondContact O-N 3.06Å
129A95.8Very high91.7Very high6 Ų638.3 Ų38.35%0.0521%0.206CC..Hα-helixtrans-61.5-36.3176.400000112.6V114 L120 S125 R126 F127 G133V114-A129 HydrophobicContact CG1-CB 3.95Å; V114-A129 HydrophobicContact CG2-CB 4.43Å; L120-A129 HydrophobicContact CD1-CB 3.62Å; S125-A129 WeakPolarHBondContact O-CB 3.44Å; S125-A129 PolarHBondContact O-N 3.29Å; R126-A129 PolarHBondContact O-N 3.16Å; F127-A129 VanDerWaalsContact C-N 3.34Å; F127-A129 PolarHBondContact O-N 3.36Å; A129-G133 PolarHBondContact O-N 3.46Å
130F95.8Very high92.2Very high0 Ų035.6 Ų35.60%019%0.187CC..Hα-helixtrans-65.7-44.8173.9-174.1-103.4000112.2W91 V94 L110 R126 F127 H128 L132 G133 L134 W143W91-F130 HydrophobicContact CZ3-CB 4.05Å; V94-F130 HydrophobicContact CB-CD1 4.49Å; V94-F130 HydrophobicContact CB-CE1 4.44Å; V94-F130 HydrophobicContact CG1-CD1 3.89Å; V94-F130 HydrophobicContact CG1-CD2 3.91Å; V94-F130 HydrophobicContact CG1-CE1 3.74Å; V94-F130 HydrophobicContact CG1-CE2 3.79Å; V94-F130 HydrophobicContact CG1-CG 3.97Å; V94-F130 HydrophobicContact CG1-CZ 3.71Å; V94-F130 HydrophobicContact CG2-CD1 3.7Å; V94-F130 HydrophobicContact CG2-CE1 3.85Å; V94-F130 HydrophobicContact CG2-CG 4.34Å; L110-F130 HydrophobicContact CB-CE2 4.36Å; L110-F130 HydrophobicContact CD2-CD2 3.86Å; L110-F130 HydrophobicContact CD2-CE2 3.72Å; L110-F130 HydrophobicContact CD2-CZ 4.36Å; L110-F130 HydrophobicContact CG-CD2 3.73Å; L110-F130 HydrophobicContact CG-CE2 3.73Å; R126-F130 WeakPolarHBondContact O-CB 3.34Å; R126-F130 PolarHBondContact O-N 3.2Å; F127-F130 WeakPolarHBondContact O-CB 3.47Å; F127-F130 PolarHBondContact O-N 3.35Å; F127-F130 VanDerWaalsContact O-N 3.14Å; H128-F130 VanDerWaalsContact C-N 3.27Å; H128-F130 PolarHBondContact O-N 3.41Å; F130-L132 PolarHBondContact O-N 2.87Å; F130-G133 CarbonylContact O-C 3.59Å; F130-G133 WeakPolarHBondContact O-CA 3.38Å; F130-G133 PolarHBondContact O-N 2.88Å; F130-L134 HydrophobicContact CD1-CD1 3.87Å; F130-L134 HydrophobicContact CD1-CG 4.19Å; F130-L134 HydrophobicContact CE1-CD1 3.55Å; F130-L134 HydrophobicContact CE1-CD2 4.18Å; F130-L134 HydrophobicContact CE1-CG 3.96Å; F130-L134 HydrophobicContact CZ-CD1 4.29Å; F130-L134 HydrophobicContact CZ-CD2 4.09Å; F130-L134 HydrophobicContact CZ-CG 4.31Å; F130-L134 WeakPolarHBondContact O-CG 3.5Å; F130-L134 PolarHBondContact O-N 2.93Å; F130-W143 AromaticContact CE1-CD2 3.98Å; F130-W143 HydrophobicContact CE1-CD2 3.98Å; F130-W143 AromaticContact CE1-CE2 3.73Å; F130-W143 HydrophobicContact CE1-CG 4.21Å; F130-W143 HydrophobicContact CE1-CZ2 4.16Å; F130-W143 AromaticContact CE1-NE1 3.82Å
131I96.6Very high92.6Very high0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-58.9-47.5174.5-64.5-55.1000111.5L66 F127 H128 G133 L134 L135 L140 W143L66-I131 HydrophobicContact CD1-CD1 4.12Å; L66-I131 HydrophobicContact CD1-CG1 4.5Å; L66-I131 HydrophobicContact CD1-CG2 3.88Å; F127-I131 HydrophobicContact CD1-CG1 4.23Å; F127-I131 HydrophobicContact CE1-CD1 4.16Å; F127-I131 HydrophobicContact CE1-CG1 3.75Å; F127-I131 HydrophobicContact CE2-CD1 4.29Å; F127-I131 HydrophobicContact CZ-CD1 3.81Å; F127-I131 HydrophobicContact CZ-CG1 3.92Å; F127-I131 WeakPolarHBondContact O-CG1 3.49Å; F127-I131 PolarHBondContact O-N 2.98Å; H128-I131 PolarHBondContact O-N 3.48Å; I131-G133 PolarHBondContact O-N 2.85Å; I131-L134 HydrophobicContact CD1-CD1 4.27Å; I131-L134 PolarHBondContact O-N 3.21Å; I131-L134 VanDerWaalsContact O-N 3.1Å; I131-L135 WeakPolarHBondContact O-CG 3.24Å; I131-L135 PolarHBondContact O-N 2.85Å; I131-L140 HydrophobicContact CD1-CD1 4.13Å; I131-L140 HydrophobicContact CG2-CD1 4.32Å; I131-W143 HydrophobicContact CD1-CH2 4.5Å; I131-W143 HydrophobicContact CD1-CZ3 3.93Å
132L95.3Very high93.1Very high7 Ų740.1 Ų40.14%0.03720%0.198CC..Hα-helixtrans-54.3-42173.9-67.7173.1000110.3V58 L59 H128 F130 L135 N136 L212 V242V58-L132 HydrophobicContact CB-CD2 4.18Å; V58-L132 HydrophobicContact CG1-CD2 3.53Å; L59-L132 HydrophobicContact CD2-CD1 4.06Å; H128-L132 WeakPolarHBondContact O-CG 3.46Å; H128-L132 PolarHBondContact O-N 3.06Å; F130-L132 PolarHBondContact O-N 2.87Å; L132-L135 WeakPolarHBondContact O-CB 3.4Å; L132-L135 PolarHBondContact O-N 2.84Å; L132-N136 PolarHBondContact O-N 3.01Å; L132-N136 PolarHBondContact O-ND2 2.95Å; L132-N136 PolarHBondContact O-OD1 3.47Å; L132-L212 HydrophobicContact CB-CD2 4.3Å; L132-L212 HydrophobicContact CD2-CD1 4.25Å; L132-L212 HydrophobicContact CD2-CD2 3.82Å; L132-V242 HydrophobicContact CD1-CG1 3.71Å
133G94.2Very high93.1Very high1 Ų138.1 Ų38.11%0.0118%0.184CC..Hα-helixtrans-67-38.6177.300000115.5A129 F130 I131 L135 N136 T137 W208A129-G133 PolarHBondContact O-N 3.46Å; F130-G133 CarbonylContact O-C 3.59Å; F130-G133 WeakPolarHBondContact O-CA 3.38Å; F130-G133 PolarHBondContact O-N 2.88Å; I131-G133 PolarHBondContact O-N 2.85Å; G133-L135 VanDerWaalsContact C-N 3.28Å; G133-L135 PolarHBondContact O-N 3.38Å; G133-N136 PolarHBondContact O-N 3.15Å; G133-T137 PolarHBondContact O-N 3.06Å; G133-T137 PolarHBondContact O-OG1 3.39Å; G133-W208 WeakPolarHBondContact O-CH2 3.22Å; G133-W208 WeakPolarHBondContact O-CZ2 3.42Å
134L94.2Very high93Very high0 Ų037.3 Ų37.30%018%0.175CC..Hα-helixtrans-61.5-39.1174.2-68.4179000111.6L107 L110 F130 I131 N136 T137 K138 Q139 L140 W143L107-L134 HydrophobicContact CD2-CD2 3.42Å; L107-L134 VanDerWaalsContact CD2-CD2 3.42Å; L110-L134 HydrophobicContact CD2-CD2 3.75Å; L110-L134 HydrophobicContact CD2-CG 4.08Å; F130-L134 HydrophobicContact CD1-CD1 3.87Å; F130-L134 HydrophobicContact CD1-CG 4.19Å; F130-L134 HydrophobicContact CE1-CD1 3.55Å; F130-L134 HydrophobicContact CE1-CD2 4.18Å; F130-L134 HydrophobicContact CE1-CG 3.96Å; F130-L134 HydrophobicContact CZ-CD1 4.29Å; F130-L134 HydrophobicContact CZ-CD2 4.09Å; F130-L134 HydrophobicContact CZ-CG 4.31Å; F130-L134 WeakPolarHBondContact O-CG 3.5Å; F130-L134 PolarHBondContact O-N 2.93Å; I131-L134 HydrophobicContact CD1-CD1 4.27Å; I131-L134 PolarHBondContact O-N 3.21Å; I131-L134 VanDerWaalsContact O-N 3.1Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.8Å; L134-T137 PolarHBondContact O-N 2.87Å; L134-T137 PolarHBondContact O-OG1 3.24Å; L134-K138 WeakPolarHBondContact O-CA 3.42Å; L134-K138 PolarHBondContact O-N 3.47Å; L134-Q139 HydrophobicContact CD2-CB 4Å; L134-Q139 PolarHBondContact O-N 2.8Å; L134-L140 HydrophobicContact CB-CB 4.22Å; L134-L140 HydrophobicContact CB-CD1 3.81Å; L134-L140 HydrophobicContact CD1-CD1 3.88Å; L134-W143 HydrophobicContact CD1-CB 3.86Å; L134-W143 HydrophobicContact CD1-CD2 3.7Å; L134-W143 HydrophobicContact CD1-CE3 3.52Å; L134-W143 HydrophobicContact CD1-CG 3.86Å; L134-W143 HydrophobicContact CD1-CZ3 4.32Å; L134-W143 HydrophobicContact CD2-CB 4.15Å
135L94Very high92.6Very high19 Ų1933.9 Ų33.910%0.09917%0.171CC..Hα-helixtrans-61.6-42.5175.4-67.4172.1000111.7V58 L62 I131 L132 G133 K138 L140 F213V58-L135 HydrophobicContact CG1-CD1 3.67Å; V58-L135 HydrophobicContact CG2-CD1 4.25Å; L62-L135 HydrophobicContact CD2-CD1 4.11Å; L62-L135 HydrophobicContact CD2-CD2 4.2Å; I131-L135 WeakPolarHBondContact O-CG 3.24Å; I131-L135 PolarHBondContact O-N 2.85Å; L132-L135 WeakPolarHBondContact O-CB 3.4Å; L132-L135 PolarHBondContact O-N 2.84Å; G133-L135 VanDerWaalsContact C-N 3.28Å; G133-L135 PolarHBondContact O-N 3.38Å; L135-K138 PolarHBondContact O-N 3.49Å; L135-L140 HydrophobicContact CD2-CD2 4.31Å; L135-F213 HydrophobicContact CD2-CE1 4.35Å
136N91.8Very high92.2Very high8 Ų834.8 Ų34.84%0.04318%0.177CC..Hα-helixtrans-76.1-28.8-175.8-53.7-2.6000112.6L132 G133 L134 W208 R211 L212 F213 G214L132-N136 PolarHBondContact O-N 3.01Å; L132-N136 PolarHBondContact O-ND2 2.95Å; L132-N136 PolarHBondContact O-OD1 3.47Å; G133-N136 PolarHBondContact O-N 3.15Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.8Å; N136-W208 HydrophobicContact CB-CD2 4.08Å; N136-W208 HydrophobicContact CB-CH2 4.11Å; N136-W208 HydrophobicContact CB-CZ2 3.16Å; N136-W208 VanDerWaalsContact ND2-CE2 3.29Å; N136-W208 PolarHBondContact ND2-NE1 3.23Å; N136-W208 PolarHBondContact ND2-O 2.85Å; N136-R211 PolarHBondContact ND2-O 2.94Å; N136-R211 PolarHBondContact OD1-O 3.47Å; N136-L212 WeakPolarHBondContact OD1-CA 3.16Å; N136-L212 WeakPolarHBondContact OD1-CD2 3.38Å; N136-F213 PolarHBondContact OD1-N 2.86Å; N136-G214 WeakPolarHBondContact O-CA 3.41Å; N136-G214 PolarHBondContact O-N 3.37Å
137T89.3Confident91.7Very high60 Ų6032.7 Ų32.737%0.36817%0.17SC..Hα-helixtrans-88.5-6.1171.652.30000113.1G133 L134 Q139 W208G133-T137 PolarHBondContact O-N 3.06Å; G133-T137 PolarHBondContact O-OG1 3.39Å; L134-T137 PolarHBondContact O-N 2.87Å; L134-T137 PolarHBondContact O-OG1 3.24Å; T137-Q139 VanDerWaalsContact C-N 3.3Å; T137-Q139 VanDerWaalsContact CB-NE2 3.27Å; T137-Q139 PolarHBondContact O-N 3.16Å; T137-Q139 PolarHBondContact OG1-NE2 3.12Å; T137-W208 HydrophobicContact CG2-CH2 3.8Å; T137-W208 HydrophobicContact CG2-CZ2 3.42Å; T137-W208 VanDerWaalsContact CG2-CZ2 3.42Å
138K91.2Very high90.9Very high155 Ų15536.2 Ų36.267%0.67419%0.187SC*.THydrogen-bonded Turntrans56.242.7-174.8-52.4179.4-178.8177.30112.7L134 L135 F213L134-K138 WeakPolarHBondContact O-CA 3.42Å; L134-K138 PolarHBondContact O-N 3.47Å; L135-K138 PolarHBondContact O-N 3.49Å; K138-F213 WeakPolarHBondContact CE-O 3.34Å
139Q91.3Very high89.9Confident23 Ų2342.5 Ų42.511%0.10722%0.216CC..  trans-11714.5-177.7-66.5-176.5105.300112.9S106 L107 L134 T137 E141 L142 W143S106-Q139 VanDerWaalsContact CB-OE1 3.28Å; S106-Q139 PolarHBondContact OG-OE1 3.08Å; L107-Q139 HydrophobicContact CD2-CB 4.2Å; L134-Q139 HydrophobicContact CD2-CB 4Å; L134-Q139 PolarHBondContact O-N 2.8Å; T137-Q139 VanDerWaalsContact C-N 3.3Å; T137-Q139 VanDerWaalsContact CB-NE2 3.27Å; T137-Q139 PolarHBondContact O-N 3.16Å; T137-Q139 PolarHBondContact OG1-NE2 3.12Å; Q139-E141 PolarHBondContact O-N 2.83Å; Q139-L142 HydrophobicContact CB-CB 4.5Å; Q139-L142 HydrophobicContact CG-CD2 4.48Å; Q139-L142 PolarHBondContact O-N 3.04Å; Q139-W143 WeakPolarHBondContact O-CB 3.15Å; Q139-W143 PolarHBondContact O-N 2.85Å
140L91.6Very high88.5Confident27 Ų2748.6 Ų48.614%0.14125%0.248CC..Hα-helixtrans-61.5-46.8-178.8-166.281.7000110.6L66 I131 L134 L135 W143 F144L66-L140 HydrophobicContact CD1-CD1 4.09Å; L66-L140 HydrophobicContact CD1-CD2 4.26Å; I131-L140 HydrophobicContact CD1-CD1 4.13Å; I131-L140 HydrophobicContact CG2-CD1 4.32Å; L134-L140 HydrophobicContact CB-CB 4.22Å; L134-L140 HydrophobicContact CB-CD1 3.81Å; L134-L140 HydrophobicContact CD1-CD1 3.88Å; L135-L140 HydrophobicContact CD2-CD2 4.31Å; L140-W143 PolarHBondContact O-N 3.42Å; L140-F144 HydrophobicContact CD1-CE2 4.2Å; L140-F144 HydrophobicContact CD2-CE2 4.35Å; L140-F144 HydrophobicContact CG-CD2 4.13Å; L140-F144 HydrophobicContact CG-CE2 3.94Å; L140-F144 VanDerWaalsContact O-CD2 3.26Å; L140-F144 WeakPolarHBondContact O-CD2 3.19Å; L140-F144 PolarHBondContact O-N 3.29Å; L140-F144 VanDerWaalsContact O-N 3.08Å
141E89.3Confident87.2Confident138 Ų13850.9 Ų50.965%0.64527%0.267SS*.Hα-helixtrans-65.4-43.4178.9-60.585.3176.500111.8Q139 W143 F144 S145Q139-E141 PolarHBondContact O-N 2.83Å; E141-W143 VanDerWaalsContact C-N 3.31Å; E141-W143 PolarHBondContact O-N 3.31Å; E141-F144 PolarHBondContact O-N 3.34Å; E141-S145 WeakPolarHBondContact O-CB 3.36Å; E141-S145 PolarHBondContact O-N 3.48Å
142L88.9Confident85.8Confident84 Ų8452.4 Ų52.444%0.4428%0.283SS..Hα-helixtrans-58.8-45177.6179.668.7000111.1T104 Q139 S145 S146T104-L142 HydrophobicContact CG2-CD2 4.27Å; Q139-L142 HydrophobicContact CB-CB 4.5Å; Q139-L142 HydrophobicContact CG-CD2 4.48Å; Q139-L142 PolarHBondContact O-N 3.04Å; L142-S145 PolarHBondContact O-N 3.42Å; L142-S146 PolarHBondContact O-N 3.23Å
143W90.7Very high84.6Confident0 Ų056.3 Ų56.30%031%0.31CS..Hα-helixtrans-63.1-46.2177.8178.362.4000111.3V70 V94 S97 L107 F127 F130 I131 L134 Q139 L140 E141 S145 S146 L147V70-W143 HydrophobicContact CG2-CH2 3.94Å; V70-W143 HydrophobicContact CG2-CZ3 4.34Å; V94-W143 HydrophobicContact CG2-CH2 4.34Å; V94-W143 HydrophobicContact CG2-CZ2 3.65Å; S97-W143 PolarHBondContact OG-NE1 2.9Å; S97-W143 VanDerWaalsContact OG-NE1 3.13Å; L107-W143 HydrophobicContact CD1-CB 4.4Å; L107-W143 HydrophobicContact CD2-CB 4.47Å; F127-W143 AromaticContact CE2-CH2 3.81Å; F127-W143 HydrophobicContact CE2-CH2 3.81Å; F127-W143 HydrophobicContact CZ-CH2 4.27Å; F130-W143 AromaticContact CE1-CD2 3.98Å; F130-W143 HydrophobicContact CE1-CD2 3.98Å; F130-W143 AromaticContact CE1-CE2 3.73Å; F130-W143 HydrophobicContact CE1-CG 4.21Å; F130-W143 HydrophobicContact CE1-CZ2 4.16Å; F130-W143 AromaticContact CE1-NE1 3.82Å; I131-W143 HydrophobicContact CD1-CH2 4.5Å; I131-W143 HydrophobicContact CD1-CZ3 3.93Å; L134-W143 HydrophobicContact CD1-CB 3.86Å; L134-W143 HydrophobicContact CD1-CD2 3.7Å; L134-W143 HydrophobicContact CD1-CE3 3.52Å; L134-W143 HydrophobicContact CD1-CG 3.86Å; L134-W143 HydrophobicContact CD1-CZ3 4.32Å; L134-W143 HydrophobicContact CD2-CB 4.15Å; Q139-W143 WeakPolarHBondContact O-CB 3.15Å; Q139-W143 PolarHBondContact O-N 2.85Å; L140-W143 PolarHBondContact O-N 3.42Å; E141-W143 VanDerWaalsContact C-N 3.31Å; E141-W143 PolarHBondContact O-N 3.31Å; W143-S145 VanDerWaalsContact C-N 3.33Å; W143-S145 PolarHBondContact O-N 3.46Å; W143-S146 PolarHBondContact O-N 3.45Å; W143-S146 VanDerWaalsContact O-N 3.15Å; W143-S146 PolarHBondContact O-OG 3.25Å; W143-L147 HydrophobicContact CD2-CD1 4.26Å; W143-L147 HydrophobicContact CE3-CD1 4.43Å; W143-L147 HydrophobicContact CH2-CD1 3.88Å; W143-L147 HydrophobicContact CZ2-CD1 3.68Å; W143-L147 HydrophobicContact CZ2-CG 4.5Å; W143-L147 HydrophobicContact CZ3-CD1 4.27Å; W143-L147 WeakPolarHBondContact O-CG 3.47Å; W143-L147 PolarHBondContact O-N 2.91Å
144F88.9Confident84Confident27 Ų2758.1 Ų58.112%0.11832%0.317CS..Hα-helixtrans-62.1-38.4175.6-81.9-62.4000113.3L66 L69 V70 L140 E141 S146 L147 Q148 W155L66-F144 HydrophobicContact CD1-CE2 4.41Å; L66-F144 HydrophobicContact CD2-CE2 4.04Å; L66-F144 HydrophobicContact CD2-CZ 3.84Å; L69-F144 HydrophobicContact CD2-CE1 4.41Å; V70-F144 HydrophobicContact CG2-CE1 3.91Å; V70-F144 HydrophobicContact CG2-CZ 4.34Å; L140-F144 HydrophobicContact CD1-CE2 4.2Å; L140-F144 HydrophobicContact CD2-CE2 4.35Å; L140-F144 HydrophobicContact CG-CD2 4.13Å; L140-F144 HydrophobicContact CG-CE2 3.94Å; L140-F144 VanDerWaalsContact O-CD2 3.26Å; L140-F144 WeakPolarHBondContact O-CD2 3.19Å; L140-F144 PolarHBondContact O-N 3.29Å; L140-F144 VanDerWaalsContact O-N 3.08Å; E141-F144 PolarHBondContact O-N 3.34Å; F144-S146 VanDerWaalsContact C-N 3.31Å; F144-S146 PolarHBondContact O-N 3.27Å; F144-L147 HydrophobicContact CD1-CD1 4.2Å; F144-L147 PolarHBondContact O-N 3.47Å; F144-L147 VanDerWaalsContact O-N 3.16Å; F144-Q148 WeakPolarHBondContact O-CG 3.46Å; F144-Q148 PolarHBondContact O-N 3.11Å; F144-Q148 VanDerWaalsContact O-N 3.16Å; F144-W155 AromaticContact CD1-CH2 3.55Å; F144-W155 HydrophobicContact CD1-CH2 3.55Å; F144-W155 HydrophobicContact CD1-CZ2 4.08Å; F144-W155 AromaticContact CE1-CH2 3.97Å; F144-W155 HydrophobicContact CE1-CH2 3.97Å
145S86.4Confident83.3Confident58 Ų5859.1 Ų59.141%0.40632%0.321SS..Hα-helixtrans-60-41.9174.1-169.90000111.4E141 L142 W143 L147 Q148 E149E141-S145 WeakPolarHBondContact O-CB 3.36Å; E141-S145 PolarHBondContact O-N 3.48Å; L142-S145 PolarHBondContact O-N 3.42Å; W143-S145 VanDerWaalsContact C-N 3.33Å; W143-S145 PolarHBondContact O-N 3.46Å; S145-L147 VanDerWaalsContact C-N 3.26Å; S145-L147 PolarHBondContact O-N 3.42Å; S145-Q148 WeakPolarHBondContact O-CB 3.26Å; S145-Q148 PolarHBondContact O-N 2.84Å; S145-Q148 VanDerWaalsContact O-N 3.11Å; S145-E149 PolarHBondContact O-N 3.43Å
146S84.3Confident82.5Confident37 Ų3764.7 Ų64.726%0.25935%0.346SS..Hα-helixtrans-64-31.7177.172.60000113.1L142 W143 F144 Q148L142-S146 PolarHBondContact O-N 3.23Å; W143-S146 PolarHBondContact O-N 3.45Å; W143-S146 VanDerWaalsContact O-N 3.15Å; W143-S146 PolarHBondContact O-OG 3.25Å; F144-S146 VanDerWaalsContact C-N 3.31Å; F144-S146 PolarHBondContact O-N 3.27Å; S146-Q148 VanDerWaalsContact C-N 3.32Å
147L84.3Confident82Confident15 Ų1568.9 Ų68.98%0.07937%0.365CS..Hα-helixtrans-73.5-25.4175.4-61.9-179000112.7V93 W143 F144 S145 A151 W155V93-L147 HydrophobicContact CG1-CD1 4.27Å; V93-L147 HydrophobicContact CG1-CD2 3.68Å; W143-L147 HydrophobicContact CD2-CD1 4.26Å; W143-L147 HydrophobicContact CE3-CD1 4.43Å; W143-L147 HydrophobicContact CH2-CD1 3.88Å; W143-L147 HydrophobicContact CZ2-CD1 3.68Å; W143-L147 HydrophobicContact CZ2-CG 4.5Å; W143-L147 HydrophobicContact CZ3-CD1 4.27Å; W143-L147 WeakPolarHBondContact O-CG 3.47Å; W143-L147 PolarHBondContact O-N 2.91Å; F144-L147 HydrophobicContact CD1-CD1 4.2Å; F144-L147 PolarHBondContact O-N 3.47Å; F144-L147 VanDerWaalsContact O-N 3.16Å; S145-L147 VanDerWaalsContact C-N 3.26Å; S145-L147 PolarHBondContact O-N 3.42Å; L147-A151 WeakPolarHBondContact O-CB 3.49Å; L147-A151 PolarHBondContact O-N 3.41Å; L147-W155 HydrophobicContact CB-CZ2 3.89Å; L147-W155 HydrophobicContact CD1-CZ2 4.33Å; L147-W155 PolarHBondContact O-NE1 3.15Å
148Q79.9Confident81.5Confident73 Ų7366.5 Ų66.534%0.34135%0.35SS..Hα-helixtrans-71.8-44.3-178.9-74.6175.217.800112.2F144 S145 S146 D150 A151 G152 W155F144-Q148 WeakPolarHBondContact O-CG 3.46Å; F144-Q148 PolarHBondContact O-N 3.11Å; F144-Q148 VanDerWaalsContact O-N 3.16Å; S145-Q148 WeakPolarHBondContact O-CB 3.26Å; S145-Q148 PolarHBondContact O-N 2.84Å; S145-Q148 VanDerWaalsContact O-N 3.11Å; S146-Q148 VanDerWaalsContact C-N 3.32Å; Q148-D150 PolarHBondContact O-N 3.45Å; Q148-A151 PolarHBondContact O-N 3.41Å; Q148-G152 PolarHBondContact O-N 2.98Å; Q148-W155 VanDerWaalsContact CA-CD1 3.49Å; Q148-W155 HydrophobicContact CB-CG 4.32Å; Q148-W155 HydrophobicContact CG-CB 4.14Å; Q148-W155 HydrophobicContact CG-CD2 3.56Å; Q148-W155 HydrophobicContact CG-CE3 4.06Å; Q148-W155 HydrophobicContact CG-CG 3.63Å; Q148-W155 HydrophobicContact CG-CZ2 4.42Å
149E73.6Confident80.9Confident154 Ų15461.7 Ų61.772%0.7233%0.334SS*.Hα-helixtrans-55.1-34.2176.2-61.9-61.9140.400111.8S145S145-E149 PolarHBondContact O-N 3.43Å
150D67.6Low80.3Confident135 Ų13565.6 Ų65.672%0.72235%0.352SS*.Hα-helixtrans-90.4-21.5-177.5-75.4-18.2000114.7Q148Q148-D150 PolarHBondContact O-N 3.45Å
151A67.3Low79.5Confident47 Ų4764.3 Ų64.339%0.38835%0.346SS..Hα-helixtrans-118.82.1-168.300000116.1L147 Q148 S153 W154 W155L147-A151 WeakPolarHBondContact O-CB 3.49Å; L147-A151 PolarHBondContact O-N 3.41Å; Q148-A151 PolarHBondContact O-N 3.41Å; A151-S153 PolarHBondContact O-N 2.87Å; A151-W154 PolarHBondContact O-N 3.27Å; A151-W155 VanDerWaalsContact CB-CD1 3.48Å
152G67Low78.7Confident33 Ų3358.8 Ų58.834%0.3432%0.323SS..THydrogen-bonded Turntrans35.6-97.1162.900000116.6Q148 W154 W155 E156Q148-G152 PolarHBondContact O-N 2.98Å; G152-W154 PolarHBondContact O-N 3.5Å; G152-W155 PolarHBondContact O-N 3.43Å; G152-E156 WeakPolarHBondContact O-CG 3.35Å; G152-E156 PolarHBondContact O-N 3.03Å
153S71.9Confident77.9Confident88 Ų8862.2 Ų62.262%0.61533%0.33SS*.Hα-helixtrans-62.4-31.9-167.764.60000115.6A151 Q157A151-S153 PolarHBondContact O-N 2.87Å; S153-Q157 WeakPolarHBondContact O-CG 3.43Å; S153-Q157 PolarHBondContact O-N 3.4Å
154W79.8Confident76.5Confident40 Ų4065.8 Ų65.815%0.15235%0.351CS..Hα-helixtrans-73.2-37.9178.3175.588.4000111.8K15 L69 D72 A151 G152 Q157 L158K15-W154 PolarHBondContact NZ-O 3.26Å; L69-W154 HydrophobicContact CD1-CH2 4.21Å; L69-W154 HydrophobicContact CD1-CZ2 4.5Å; L69-W154 HydrophobicContact CG-CH2 4.25Å; L69-W154 VanDerWaalsContact O-CH2 3.28Å; L69-W154 WeakPolarHBondContact O-CH2 3.5Å; L69-W154 WeakPolarHBondContact O-CZ2 3.16Å; D72-W154 HydrophobicContact CB-CZ2 3.89Å; D72-W154 PolarHBondContact OD2-NE1 3.43Å; A151-W154 PolarHBondContact O-N 3.27Å; G152-W154 PolarHBondContact O-N 3.5Å; W154-Q157 PolarHBondContact O-N 3.08Å; W154-L158 HydrophobicContact CH2-CD2 4.19Å; W154-L158 HydrophobicContact CZ3-CD2 4.5Å; W154-L158 PolarHBondContact O-N 3.44Å; W154-L158 VanDerWaalsContact O-N 3.16Å
155W79.4Confident74.8Confident20 Ų2071.4 Ų71.48%0.07637%0.373CS..Hα-helixtrans-72.4-34.7177.7-74115.1000112.8F144 L147 Q148 A151 G152 Q157 L158 T159F144-W155 AromaticContact CD1-CH2 3.55Å; F144-W155 HydrophobicContact CD1-CH2 3.55Å; F144-W155 HydrophobicContact CD1-CZ2 4.08Å; F144-W155 AromaticContact CE1-CH2 3.97Å; F144-W155 HydrophobicContact CE1-CH2 3.97Å; L147-W155 HydrophobicContact CB-CZ2 3.89Å; L147-W155 HydrophobicContact CD1-CZ2 4.33Å; L147-W155 PolarHBondContact O-NE1 3.15Å; Q148-W155 VanDerWaalsContact CA-CD1 3.49Å; Q148-W155 HydrophobicContact CB-CG 4.32Å; Q148-W155 HydrophobicContact CG-CB 4.14Å; Q148-W155 HydrophobicContact CG-CD2 3.56Å; Q148-W155 HydrophobicContact CG-CE3 4.06Å; Q148-W155 HydrophobicContact CG-CG 3.63Å; Q148-W155 HydrophobicContact CG-CZ2 4.42Å; A151-W155 VanDerWaalsContact CB-CD1 3.48Å; G152-W155 PolarHBondContact O-N 3.43Å; W155-Q157 VanDerWaalsContact C-N 3.32Å; W155-Q157 PolarHBondContact O-N 3.35Å; W155-L158 HydrophobicContact CE3-CD2 3.53Å; W155-L158 HydrophobicContact CZ3-CD2 3.4Å; W155-L158 PolarHBondContact O-N 3.11Å; W155-T159 WeakPolarHBondContact O-CB 3.5Å; W155-T159 PolarHBondContact O-N 2.9Å; W155-T159 PolarHBondContact O-OG1 2.99Å
156E79.1Confident73.2Confident136 Ų13671.7 Ų71.764%0.63638%0.378SS*.Hα-helixtrans-58.3-46171.6-74.6172.8-176.600111.3G152 L158 T159 Q160G152-E156 WeakPolarHBondContact O-CG 3.35Å; G152-E156 PolarHBondContact O-N 3.03Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.95Å; E156-T159 PolarHBondContact O-N 2.98Å; E156-Q160 PolarHBondContact O-N 3.04Å
157Q80.1Confident71.7Confident96 Ų9675 Ų7545%0.44940%0.401SS..Hα-helixtrans-63.1-39.3176.1-72.5176.7-6.300112.5K15 S153 W154 W155 T159 Q160 A161K15-Q157 HydrophobicContact CD-CB 4.05Å; S153-Q157 WeakPolarHBondContact O-CG 3.43Å; S153-Q157 PolarHBondContact O-N 3.4Å; W154-Q157 PolarHBondContact O-N 3.08Å; W155-Q157 VanDerWaalsContact C-N 3.32Å; W155-Q157 PolarHBondContact O-N 3.35Å; Q157-T159 VanDerWaalsContact C-N 3.35Å; Q157-Q160 PolarHBondContact O-N 3.16Å; Q157-A161 WeakPolarHBondContact O-CB 3.49Å; Q157-A161 PolarHBondContact O-N 2.64Å
158L78.6Confident69.8Low10 Ų1077.7 Ų77.75%0.05243%0.433CS..Hα-helixtrans-65.2-40.8175.3-170.175.8000111.3K15 L19 L69 W154 W155 E156 Q160 A161 S162K15-L158 HydrophobicContact CB-CD1 4.25Å; L19-L158 HydrophobicContact CD1-CD1 4Å; L19-L158 HydrophobicContact CD1-CG 4.23Å; L19-L158 HydrophobicContact CD2-CD1 3.9Å; L19-L158 HydrophobicContact CD2-CD2 4.12Å; L19-L158 HydrophobicContact CD2-CG 4.03Å; L19-L158 HydrophobicContact CG-CD1 3.81Å; L19-L158 HydrophobicContact CG-CG 4.32Å; L69-L158 HydrophobicContact CD1-CD1 3.92Å; L69-L158 HydrophobicContact CD1-CD2 3.97Å; W154-L158 HydrophobicContact CH2-CD2 4.19Å; W154-L158 HydrophobicContact CZ3-CD2 4.5Å; W154-L158 PolarHBondContact O-N 3.44Å; W154-L158 VanDerWaalsContact O-N 3.16Å; W155-L158 HydrophobicContact CE3-CD2 3.53Å; W155-L158 HydrophobicContact CZ3-CD2 3.4Å; W155-L158 PolarHBondContact O-N 3.11Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.95Å; L158-Q160 VanDerWaalsContact C-N 3.35Å; L158-A161 WeakPolarHBondContact O-CB 3.13Å; L158-A161 PolarHBondContact O-N 2.83Å; L158-S162 PolarHBondContact O-N 3.44Å
159T78.6Confident67.9Low54 Ų5477.2 Ų77.233%0.33145%0.448SS..Hα-helixtrans-65.4-38.2176.9-55.40000111.4W155 E156 Q157 A161 S162 R163W155-T159 WeakPolarHBondContact O-CB 3.5Å; W155-T159 PolarHBondContact O-N 2.9Å; W155-T159 PolarHBondContact O-OG1 2.99Å; E156-T159 PolarHBondContact O-N 2.98Å; Q157-T159 VanDerWaalsContact C-N 3.35Å; T159-A161 VanDerWaalsContact C-N 3.35Å; T159-S162 PolarHBondContact O-N 3.49Å; T159-S162 PolarHBondContact O-OG 3.3Å; T159-R163 PolarHBondContact O-N 2.6Å
160Q79.3Confident66.2Low105 Ų10576.6 Ų76.649%0.49146%0.455SS..Hα-helixtrans-67.5-37173.4-170.961.717.800111.7E156 Q157 L158E156-Q160 PolarHBondContact O-N 3.04Å; Q157-Q160 PolarHBondContact O-N 3.16Å; L158-Q160 VanDerWaalsContact C-N 3.35Å
161A74.9Confident64.8Low1 Ų179.6 Ų79.61%0.00846%0.464CS..Hα-helixtrans-65.9-36.8174.500000112.4Q12 K15 K16 L19 Q157 L158 T159 V164Q12-A161 HydrophobicContact CG-CB 4.33Å; K15-A161 HydrophobicContact CB-CB 4.04Å; K16-A161 HydrophobicContact CG-CB 4.25Å; L19-A161 HydrophobicContact CD1-CB 4.47Å; Q157-A161 WeakPolarHBondContact O-CB 3.49Å; Q157-A161 PolarHBondContact O-N 2.64Å; L158-A161 WeakPolarHBondContact O-CB 3.13Å; L158-A161 PolarHBondContact O-N 2.83Å; T159-A161 VanDerWaalsContact C-N 3.35Å; A161-V164 WeakPolarHBondContact O-CB 3.47Å; A161-V164 PolarHBondContact O-N 2.81Å
162S72.4Confident63.1Low22 Ų2280.4 Ų80.415%0.15448%0.478CS..Hα-helixtrans-70.3-32178.973.70000113.4L158 T159 V164 Y165 A166L158-S162 PolarHBondContact O-N 3.44Å; T159-S162 PolarHBondContact O-N 3.49Å; T159-S162 PolarHBondContact O-OG 3.3Å; S162-V164 PolarHBondContact O-N 3.37Å; S162-Y165 WeakPolarHBondContact O-CA 3.43Å; S162-Y165 WeakPolarHBondContact O-CB 3.4Å; S162-Y165 PolarHBondContact O-N 2.99Å; S162-A166 PolarHBondContact O-N 2.85Å
163R71.1Confident61.3Low156 Ų15688.1 Ų88.159%0.58950%0.502SS*.Hα-helixtrans-57.6-30.1174.3-75.7177.5173-169-4.1113.1T159 Y165 S167T159-R163 PolarHBondContact O-N 2.6Å; R163-Y165 VanDerWaalsContact C-N 3.32Å; R163-S167 PolarHBondContact O-N 3.19Å; R163-S167 PolarHBondContact O-OG 3.41Å
164V62.8Low59.5Low74 Ų7489.6 Ų89.645%0.44851%0.509SS..Hα-helixtrans-67.6-34.1174.8-176.40000111.2A161 S162A161-V164 WeakPolarHBondContact O-CB 3.47Å; A161-V164 PolarHBondContact O-N 2.81Å; S162-V164 PolarHBondContact O-N 3.37Å
165Y53Low57.3Low146 Ų14694.7 Ų94.757%0.57354%0.539SS*.Hα-helixtrans-78-38.9176.7-171.6-98.2000112.5I20 S23 S162 R163 S167 G168I20-Y165 HydrophobicContact CG1-CE2 4.48Å; S23-Y165 PolarHBondContact OG-OH 2.92Å; S162-Y165 WeakPolarHBondContact O-CA 3.43Å; S162-Y165 WeakPolarHBondContact O-CB 3.4Å; S162-Y165 PolarHBondContact O-N 2.99Å; R163-Y165 VanDerWaalsContact C-N 3.32Å; Y165-S167 VanDerWaalsContact C-N 3.26Å; Y165-S167 PolarHBondContact O-N 3.41Å; Y165-G168 PolarHBondContact O-N 3Å
166A52.5Low55.3Low63 Ų6398.6 Ų98.652%0.52157%0.569SS.*Hα-helixtrans-70.1-17.9-178.500000114.3S162 G168 L175S162-A166 PolarHBondContact O-N 2.85Å; A166-G168 VanDerWaalsContact C-N 3.35Å; A166-L175 HydrophobicContact CB-CD1 4.28Å
167S53Low53.6Low106 Ų106102.7 Ų102.774%0.74158%0.579SS**THydrogen-bonded Turntrans-89.54.5-177.7-54.30000113.9R163 Y165R163-S167 PolarHBondContact O-N 3.19Å; R163-S167 PolarHBondContact O-OG 3.41Å; Y165-S167 VanDerWaalsContact C-N 3.26Å; Y165-S167 PolarHBondContact O-N 3.41Å
168G44.5Very low51.4Low72 Ų72108 Ų10874%0.74260%0.595SS**SBendtrans-110.213-166.700000117.8Y165 A166Y165-G168 PolarHBondContact O-N 3Å; A166-G168 VanDerWaalsContact C-N 3.35Å
169G39.5Very low49Very low64 Ų64110.9 Ų110.966%0.6662%0.621SS**  trans-138.4106.2-177.300000112.9E171G169-E171 PolarHBondContact O-N 2.9Å
170T37.3Very low46.8Very low140 Ų140114 Ų11486%0.85964%0.641SS**SBendtrans-67.6120.7157.946.90000108
171E38.9Very low44.4Very low198 Ų198112 Ų11293%0.92565%0.649SS**SBendtrans80.6110.1175.1-51-160.6155.300117.7G169G169-E171 PolarHBondContact O-N 2.9Å
172G32.4Very low42.1Very low65 Ų65123.4 Ų123.467%0.6769%0.692SS**SBendtrans118.1111.2161.100000114.8
173F29Very low40.1Very low195 Ų195131.3 Ų131.386%0.85573%0.726SS**  trans83.793.6175.1-51.9-74.4000116.7L175F173-L175 PolarHBondContact O-N 3.45Å
174P33.8Very low37.9Very low118 Ų118127.1 Ų127.177%0.76673%0.732SS**  trans-65.2110.5160.327.1-29.1000108.2S176P174-S176 PolarHBondContact O-N 3.33Å
175L34.1Very low36.2Very low148 Ų148130.7 Ų130.778%0.77575%0.754SS**  trans-67.963164.7-72.6167.3000109.4A166 F173 R177A166-L175 HydrophobicContact CB-CD1 4.28Å; F173-L175 PolarHBondContact O-N 3.45Å; L175-R177 PolarHBondContact O-N 3.21Å
176S36.9Very low34.9Very low101 Ų101128.5 Ų128.571%0.70677%0.766SS**  trans-74.9115.7167-68.80000107.1P174P174-S176 PolarHBondContact O-N 3.33Å
177R43.3Very low33.7Very low222 Ų222130.1 Ų130.184%0.83878%0.779SS**  trans11257.5161.4-157.3-175.5-65.5-111.7-0.6115.8L175L175-R177 PolarHBondContact O-N 3.21Å
178W34.1Very low32.5Very low207 Ų207134.1 Ų134.178%0.78479%0.786SS**  trans-11459.4141.3-81-9.6000109.7
179A28.2Very low31.5Very low72 Ų72139.7 Ų139.760%0.59579%0.793SS**SBendtrans-128.1135.1164.700000107.2G181A179-G181 PolarHBondContact O-N 3.42Å; A179-G181 VanDerWaalsContact O-N 3.16Å
180P32.9Very low30.9Very low118 Ų118140.5 Ų140.577%0.76680%0.801SS**  trans-59.7120.9168.4-14.527.5000107.3R182P180-R182 PolarHBondContact O-N 3.41Å
181G28Very low30.4Very low64 Ų64138.3 Ų138.366%0.6680%0.797SS**  trans-60.2104.8168.900000107.8A179 H183A179-G181 PolarHBondContact O-N 3.42Å; A179-G181 VanDerWaalsContact O-N 3.16Å; G181-H183 PolarHBondContact O-N 3.23Å
182R26.9Very low29.8Very low241 Ų241136.9 Ų136.991%0.90979%0.791SS**  trans-60.2104.6165.6-67-179.9-170.9-100.20.9106.3P180 G184P180-R182 PolarHBondContact O-N 3.41Å; R182-G184 VanDerWaalsContact C-N 3.3Å; R182-G184 PolarHBondContact O-N 3.11Å
183H29.3Very low29.4Very low188 Ų188141.8 Ų141.887%0.8780%0.796SS**  trans-71.997.4160.8-77.7-77.5000106.6G181G181-H183 PolarHBondContact O-N 3.23Å
184G25.8Very low29.4Very low68 Ų68142.8 Ų142.870%0.70179%0.794SS**  trans-60.8132.1166.800000109.3R182 A186R182-G184 VanDerWaalsContact C-N 3.3Å; R182-G184 PolarHBondContact O-N 3.11Å; G184-A186 PolarHBondContact O-N 3.04Å
185T26.8Very low29.1Very low149 Ų149143.2 Ų143.291%0.91480%0.797SS**  trans-55125.816943.40000111.2
186A26.1Very low28.7Very low99 Ų99143.3 Ų143.382%0.81880%0.797SS**  trans-139.4118150.300000107G184G184-A186 PolarHBondContact O-N 3.04Å
187A27.9Very low28.5Very low97 Ų97144.1 Ų144.180%0.80280%0.8SS**  trans-72.1143.6172.400000109.9
188E26.7Very low27.6Very low190 Ų190140.1 Ų140.189%0.88880%0.801SS**  -167.9153.5122-105.2-161.8155.100112.6
189E24.5Very low27.4Very low190 Ų190137.1 Ų137.189%0.88880%0.8SS**  trans-59.5154.8-174.4-80.616910900116.2
190G26.2Very low27.2Very low81 Ų81141.8 Ų141.884%0.83581%0.809SS**  trans175.3116.8164.100000112.7
191A26Very low27.1Very low94 Ų94143.7 Ų143.778%0.77781%0.81SS**  trans-70.6147.6-166.200000116.7
192Q26.9Very low27.1Very low168 Ų168144.9 Ų144.979%0.78581%0.814SS**  71.7113.2127.9-167142.5-1.600121.3
193E24.3Very low27.6Very low168 Ų168139.6 Ų139.679%0.78581%0.81SS**  160.3132.9118.8-85.1-83.7101.900111.2
194R28.8Very low27.7Very low216 Ų216134.3 Ų134.382%0.81581%0.807SS**  trans-79.5154168.1-100.6-174.5177.8125.5-2.7109.7
195P27.6Very low28.9Very low127 Ų127140.2 Ų140.283%0.82581%0.808SS**  -139.6160.6106.517.15.1000115.7
196L26.3Very low29.5Very low150 Ų150136.1 Ų136.179%0.78580%0.795SS**  trans-73.3163.4177.4-79161.9000113.1
197P31.8Very low30.6Very low117 Ų117137.7 Ų137.776%0.7679%0.789SS**  trans-90.4140.8-166.435.4-31.3000112.9
198T24.2Very low31.5Very low139 Ų139136.9 Ų136.985%0.85377%0.765SS**  trans-91.7116163-40.30000108.3
199D31Very low32.7Very low144 Ų144129.7 Ų129.777%0.7773%0.733SS**  trans-75.3119.3171.5-164.19.7000108.2
200E23.9Very low33.8Very low169 Ų169120.8 Ų120.879%0.7969%0.692SS**  trans-139.7101.9167.5-111-69.712200108.3A202E200-A202 PolarHBondContact O-N 3.15Å
201M31Very low35.4Very low158 Ų158121 Ų12178%0.77867%0.668SS**  trans-75.6105.8178.8175.993.879.200109.5
202A26.6Very low36.7Very low89 Ų89116.6 Ų116.674%0.73663%0.631SS**  trans-116124.2166.700000112E200E200-A202 PolarHBondContact O-N 3.15Å
203P38.6Very low38.3Very low130 Ų130111.3 Ų111.384%0.84461%0.606SS**  trans-89.8116.4-170.634-31000111.9
204G30.8Very low39.6Very low77 Ų77104.9 Ų104.979%0.79459%0.585SS**  trans-152.861.7173.200000111.4
205R50.2Low40.3Very low193 Ų19396.2 Ų96.273%0.72856%0.556SS**  trans-91.7118.1179.5-68-165.7-152.6-97.22.1111.5
206G40.6Very low41Very low63 Ų6395.6 Ų95.665%0.64955%0.552SS**  trans153.9130.9166.400000107.9
207L48.3Very low41.8Very low132 Ų13290.4 Ų90.469%0.69153%0.534SS*.  cis-164.6103.722.5-76.7123.2000105.5R49R49-L207 PolarHBondContact NH2-O 3.38Å
208W47.5Very low42.1Very low79 Ų7988.1 Ų88.130%0.29953%0.532SS..  trans-93.4-13.2-174.1-179.264.4000114.5L110 G133 N136 T137 G210 R211L110-W208 HydrophobicContact CD1-CH2 3.62Å; L110-W208 HydrophobicContact CD1-CZ3 3.34Å; L110-W208 HydrophobicContact CD2-CH2 4.42Å; G133-W208 WeakPolarHBondContact O-CH2 3.22Å; G133-W208 WeakPolarHBondContact O-CZ2 3.42Å; N136-W208 HydrophobicContact CB-CD2 4.08Å; N136-W208 HydrophobicContact CB-CH2 4.11Å; N136-W208 HydrophobicContact CB-CZ2 3.16Å; N136-W208 VanDerWaalsContact ND2-CE2 3.29Å; N136-W208 PolarHBondContact ND2-NE1 3.23Å; N136-W208 PolarHBondContact ND2-O 2.85Å; T137-W208 HydrophobicContact CG2-CH2 3.8Å; T137-W208 HydrophobicContact CG2-CZ2 3.42Å; T137-W208 VanDerWaalsContact CG2-CZ2 3.42Å; W208-G210 PolarHBondContact O-N 2.88Å; W208-R211 PolarHBondContact O-N 3.24Å; W208-R211 VanDerWaalsContact O-N 3.11Å
209L52.8Low42.8Very low40 Ų4087.6 Ų87.621%0.20953%0.531CS..THydrogen-bonded Turntrans-64.92.5176.8-73152.4000114.4S48 L117 L243S48-L209 PolarHBondContact OG-O 3.35Å; L117-L209 HydrophobicContact CD1-CD1 4.09Å; L117-L209 HydrophobicContact CD2-CD1 4.49Å; L209-L243 HydrophobicContact CD1-CD1 3.67Å; L209-L243 HydrophobicContact CD1-CD2 3.98Å; L209-L243 HydrophobicContact CD1-CG 3.8Å; L209-L243 HydrophobicContact CD2-CD2 4.37Å
210G46.8Very low43.1Very low3 Ų385.5 Ų85.53%0.03153%0.534CS..THydrogen-bonded Turntrans-108.2-9.9175.500000115.2D47 S48 R49 W208D47-G210 CarbonylContact C-O 3.56Å; S48-G210 PolarHBondContact N-O 3.5Å; S48-G210 VanDerWaalsContact OG-C 3.24Å; S48-G210 VanDerWaalsContact OG-CA 3.28Å; S48-G210 WeakPolarHBondContact OG-CA 3.25Å; S48-G210 PolarHBondContact OG-O 2.95Å; S48-G210 VanDerWaalsContact OG-O 3.1Å; R49-G210 PolarHBondContact N-O 2.98Å; W208-G210 PolarHBondContact O-N 2.88Å
211R60.4Low43.5Very low84 Ų8486.8 Ų86.832%0.31754%0.539SS..BIsolated β-bridgetrans-123.498.6-171.4-69.3-176.2179.7156.41.5110N136 W208 V215N136-R211 PolarHBondContact ND2-O 2.94Å; N136-R211 PolarHBondContact OD1-O 3.47Å; W208-R211 PolarHBondContact O-N 3.24Å; W208-R211 VanDerWaalsContact O-N 3.11Å; R211-V215 WeakPolarHBondContact CD-O 3.41Å
212L52.1Low43.5Very low2 Ų286.9 Ų86.91%0.0154%0.543CS..G310 helixtrans-78.8148.9172.2-51.4179.9000111.2G46 V54 V58 L132 N136 G214G46-L212 CarbonylContact O-C 3.19Å; G46-L212 WeakPolarHBondContact O-CA 3.38Å; G46-L212 WeakPolarHBondContact O-CB 3.49Å; G46-L212 PolarHBondContact O-N 3.16Å; V54-L212 HydrophobicContact CG1-CD1 3.94Å; V54-L212 HydrophobicContact CG2-CD1 4.17Å; V58-L212 HydrophobicContact CG2-CD1 4.25Å; L132-L212 HydrophobicContact CB-CD2 4.3Å; L132-L212 HydrophobicContact CD2-CD1 4.25Å; L132-L212 HydrophobicContact CD2-CD2 3.82Å; N136-L212 WeakPolarHBondContact OD1-CA 3.16Å; N136-L212 WeakPolarHBondContact OD1-CD2 3.38Å; L212-G214 PolarHBondContact O-N 3.18Å
213F61.2Low44Very low58 Ų5890.5 Ų90.525%0.25455%0.545SS..G310 helixtrans67.919173.3-51.3-85.5000117.6I29 F33 V54 L135 N136 K138I29-F213 HydrophobicContact CG2-CE1 4.5Å; I29-F213 HydrophobicContact CG2-CZ 3.9Å; F33-F213 HydrophobicContact CE1-CD2 4.39Å; F33-F213 AromaticContact CE2-CD2 3.93Å; F33-F213 HydrophobicContact CE2-CD2 3.93Å; F33-F213 HydrophobicContact CE2-CE1 4.36Å; F33-F213 AromaticContact CE2-CE2 3.47Å; F33-F213 HydrophobicContact CE2-CE2 3.47Å; F33-F213 VanDerWaalsContact CE2-CE2 3.47Å; F33-F213 AromaticContact CE2-CZ 3.71Å; F33-F213 HydrophobicContact CE2-CZ 3.71Å; F33-F213 AromaticContact CZ-CD2 3.39Å; F33-F213 HydrophobicContact CZ-CD2 3.39Å; F33-F213 AromaticContact CZ-CE2 3.37Å; F33-F213 HydrophobicContact CZ-CE2 3.37Å; F33-F213 HydrophobicContact CZ-CG 4.12Å; F33-F213 HydrophobicContact CZ-CZ 4.06Å; V54-F213 HydrophobicContact CG2-CE2 3.83Å; L135-F213 HydrophobicContact CD2-CE1 4.35Å; N136-F213 PolarHBondContact OD1-N 2.86Å; K138-F213 WeakPolarHBondContact CE-O 3.34Å
214G51.9Low43.6Very low33 Ų3392.4 Ų92.434%0.3455%0.548SS..G310 helixtrans78.932.4165.200000115.3N136 L212 P216N136-G214 WeakPolarHBondContact O-CA 3.41Å; N136-G214 PolarHBondContact O-N 3.37Å; L212-G214 PolarHBondContact O-N 3.18Å; G214-P216 WeakPolarHBondContact O-CD 3.29Å
215V42.2Very low43.6Very low34 Ų3492.5 Ų92.521%0.20655%0.549CS..PPolyproline II helixtrans-62.8119.8173.6-178.90000110.5A43 R211A43-V215 HydrophobicContact CB-CG1 4.07Å; A43-V215 HydrophobicContact CB-CG2 3.81Å; A43-V215 WeakPolarHBondContact O-CG2 3.41Å; R211-V215 WeakPolarHBondContact CD-O 3.41Å
216P42Very low42.6Very low114 Ų11487.7 Ų87.774%0.7455%0.55SS**PPolyproline II helixtrans-65142.7174.3-1831.2000111.2G214G214-P216 WeakPolarHBondContact O-CD 3.29Å
217G43Very low42.2Very low40 Ų4092.1 Ų92.141%0.41256%0.558SS.*PPolyproline II helixtrans-68.6133.9168.500000109.9
218G38.2Very low41.5Very low69 Ų6995.3 Ų95.371%0.71157%0.567SS**PPolyproline II helixtrans-56.1154.616900000111.5
219P40.1Very low40.6Very low128 Ų12897.5 Ų97.583%0.83159%0.594SS**PPolyproline II helixtrans-63140.9-169.226.3-33.2000111.4E221P219-E221 PolarHBondContact O-N 3.28Å
220A37Very low39.7Very low101 Ų101106.9 Ų106.984%0.83563%0.626SS**PPolyproline II helixtrans-56.1121.1173.200000110.2N222A220-N222 PolarHBondContact O-N 3.21Å
221E32.1Very low39.3Very low195 Ų195118 Ų11891%0.91167%0.668SS**  trans-65.3113164.9-79.6176.6105.500108.1P219P219-E221 PolarHBondContact O-N 3.28Å
222N31.1Very low38.2Very low160 Ų160118.2 Ų118.286%0.85668%0.68SS**  trans-75.5135.9169.9-16619.5000108.8A220A220-N222 PolarHBondContact O-N 3.21Å
223E36.3Very low37.4Very low166 Ų166123.5 Ų123.578%0.77672%0.717SS**  trans-68.4132.4-175.2-51.5-165114.500111.5
224N30.1Very low36.3Very low170 Ų170125.1 Ų125.191%0.90974%0.735SS**  trans168.1122.6135-84.9-33.9000112
225G31.3Very low35.4Very low78 Ų78134.1 Ų134.180%0.80476%0.759SS**  trans127.280.7156.300000118.1
226A30.1Very low35Very low92 Ų92139.8 Ų139.876%0.7679%0.787SS**  trans40111.2145.600000121.1
227L31.5Very low34.3Very low156 Ų156139.6 Ų139.682%0.81779%0.786SS**  169.2106.499.6-83.9174.4000111.5
228K34.6Very low33.9Very low200 Ų200143.5 Ų143.587%0.8781%0.805SS**  trans28.5114.4148.1-64.1170.3178.6174.30119.4
229S28Very low34Very low125 Ų125146.7 Ų146.787%0.87481%0.81SS**  -145114.7123-174.20000110
230R34.3Very low33.9Very low236 Ų236145.4 Ų145.489%0.89180%0.8SS**  trans-80.8144.8171.2-78.7-179.8176.6-131.9-0.4108.6
231R37.3Very low34.5Very low237 Ų237143.3 Ų143.389%0.89478%0.779SS**  trans112.7155.8143.9-103.4-164.2-164-134.73.5117.5
232P37.4Very low35.2Very low88 Ų88134.5 Ų134.557%0.57174%0.739SS**  -128.8120.4-99.137.1-18.6000112.1S234P232-S234 PolarHBondContact O-N 3.32Å
233S35.7Very low35.9Very low114 Ų114129 Ų12980%0.79771%0.709SS**  trans-95.367170.4590000110.6W235S233-W235 VanDerWaalsContact C-N 3.28Å
234S38.4Very low36.6Very low91 Ų91123.4 Ų123.464%0.63669%0.692SS**  trans-92.126.2164.664.90000112.2P232P232-S234 PolarHBondContact O-N 3.32Å
235W33.2Very low37.5Very low223 Ų223118.4 Ų118.485%0.84566%0.664SS**  trans-138.321.7-167.8-72.695.7000115.6S233S233-W235 VanDerWaalsContact C-N 3.28Å
236L32.2Very low38.5Very low152 Ų152116.4 Ų116.480%0.79664%0.636SS**SBendtrans-123.3136.2171.2-67.6171000110.1
237P27.6Very low39.5Very low110 Ų110120.5 Ų120.571%0.71464%0.637SS**PPolyproline II helixtrans-66.2155.1-173.729.6-34.2000110.6T239P237-T239 PolarHBondContact O-N 3.05Å
238P35.7Very low40.2Very low123 Ų123124 Ų12480%0.79964%0.639SS**PPolyproline II helixtrans-62.3130.1-174.825.4-32.6000110.7V240P238-V240 PolarHBondContact O-N 3.37Å
239T39.3Very low40.2Very low135 Ų135117.8 Ų117.883%0.82863%0.632SS**PPolyproline II helixtrans-48.6133.3162.318.30000109.3P237 S241P237-T239 PolarHBondContact O-N 3.05Å; T239-S241 PolarHBondContact O-N 2.78Å
240V38.5Very low40.8Very low101 Ų101116.1 Ų116.161%0.61263%0.626SS**  trans-62.399.7-171.6-167.60000109.7P238 A244 L245P238-V240 PolarHBondContact O-N 3.37Å; V240-A244 HydrophobicContact CG1-CB 3.98Å; V240-L245 HydrophobicContact CG1-CD1 3.94Å; V240-L245 HydrophobicContact CG1-CG 4.18Å
241S48.8Very low41.1Very low58 Ų58110.5 Ų110.541%0.40662%0.62SS.*  trans-66.6148.6170.9177.80000109.9T239 L243 A244 L245T239-S241 PolarHBondContact O-N 2.78Å; S241-L243 PolarHBondContact O-N 3.35Å; S241-L243 PolarHBondContact OG-N 3.47Å; S241-A244 WeakPolarHBondContact O-CA 3.36Å; S241-A244 VanDerWaalsContact O-CB 3.24Å; S241-A244 WeakPolarHBondContact O-CB 3.41Å; S241-A244 PolarHBondContact O-N 3.37Å; S241-L245 PolarHBondContact O-N 3.44Å
242V48.1Very low41.1Very low10 Ų10104.9 Ų104.96%0.06161%0.614CS.*Hα-helixtrans-51-30.3172.4168.90000112.5L59 L132 A244 L245 V246L59-V242 HydrophobicContact CD1-CG1 3.72Å; L132-V242 HydrophobicContact CD1-CG1 3.71Å; V242-A244 VanDerWaalsContact C-N 3.33Å; V242-A244 PolarHBondContact O-N 3Å; V242-L245 PolarHBondContact O-N 3.25Å; V242-V246 WeakPolarHBondContact O-CG2 3.46Å; V242-V246 PolarHBondContact O-N 3.16Å
243L45.7Very low41.2Very low43 Ų43110 Ų11023%0.22563%0.63CS.*Hα-helixtrans-64-33.4171.8-73.5176.7000113.5L120 L209 S241 K247L120-L243 HydrophobicContact CD2-CD2 3.89Å; L209-L243 HydrophobicContact CD1-CD1 3.67Å; L209-L243 HydrophobicContact CD1-CD2 3.98Å; L209-L243 HydrophobicContact CD1-CG 3.8Å; L209-L243 HydrophobicContact CD2-CD2 4.37Å; S241-L243 PolarHBondContact O-N 3.35Å; S241-L243 PolarHBondContact OG-N 3.47Å; L243-K247 PolarHBondContact O-N 2.97Å
244A49.8Very low41.1Very low50 Ų50112.6 Ų112.641%0.41363%0.632SS.*Hα-helixtrans-71.3-35.317500000111.6V240 S241 V242 K247V240-A244 HydrophobicContact CG1-CB 3.98Å; S241-A244 WeakPolarHBondContact O-CA 3.36Å; S241-A244 VanDerWaalsContact O-CB 3.24Å; S241-A244 WeakPolarHBondContact O-CB 3.41Å; S241-A244 PolarHBondContact O-N 3.37Å; V242-A244 VanDerWaalsContact C-N 3.33Å; V242-A244 PolarHBondContact O-N 3Å; A244-K247 PolarHBondContact O-N 2.84Å
245L50.6Low41Very low65 Ų65114.1 Ų114.134%0.3464%0.64SS.*Hα-helixtrans-66.2-41.4171.9-90.9136.3000112.2L59 V240 S241 V242 K247 R248L59-L245 HydrophobicContact CD1-CB 4.45Å; V240-L245 HydrophobicContact CG1-CD1 3.94Å; V240-L245 HydrophobicContact CG1-CG 4.18Å; S241-L245 PolarHBondContact O-N 3.44Å; V242-L245 PolarHBondContact O-N 3.25Å; L245-K247 PolarHBondContact O-N 3.42Å; L245-R248 PolarHBondContact O-N 2.91Å
246V52.3Low41.1Very low35 Ų35108.2 Ų108.221%0.21263%0.633CS.*Hα-helixtrans-66.9-21.3175.6171.10000112.7L59 L120 V242L59-V246 HydrophobicContact CD1-CG2 4.21Å; L59-V246 HydrophobicContact CD2-CG2 4.03Å; L120-V246 HydrophobicContact CD2-CG1 3.94Å; V242-V246 WeakPolarHBondContact O-CG2 3.46Å; V242-V246 PolarHBondContact O-N 3.16Å
247K51.4Low41.4Very low179 Ų179107.4 Ų107.478%0.77864%0.636SS**Hα-helixtrans-81.9-16.5178.6-165.2175.9177.6-174.70113.6L243 A244 L245 G249L243-K247 PolarHBondContact O-N 2.97Å; A244-K247 PolarHBondContact O-N 2.84Å; L245-K247 PolarHBondContact O-N 3.42Å; K247-G249 PolarHBondContact O-N 3.41Å
248R45.5Very low41.9Very low229 Ų229110 Ų11086%0.86464%0.639SS**  trans-93.278.7-177.8-162.1174.7-175.2174.90.4111.2L245L245-R248 PolarHBondContact O-N 2.91Å
249G35.3Very low41.8Very low69 Ų69112 Ų11271%0.71164%0.637SS**  trans-89.6122.3165.200000110.8K247K247-G249 PolarHBondContact O-N 3.41Å
250A39.4Very low42.1Very low91 Ų91114.2 Ų114.275%0.75264%0.644SS**  trans51.9134.1168.800000119.1
251P40.6Very low42.2Very low118 Ų118117.2 Ų117.277%0.76665%0.651SS**PPolyproline II helixtrans-71.5145.816730.2-29.8000110.3E253P251-E253 PolarHBondContact O-N 2.77Å
252P38.3Very low41.6Very low119 Ų119119.4 Ų119.477%0.77367%0.672SS**PPolyproline II helixtrans-67.4125.3165.927.6-30.2000109.3
253E38.5Very low41Very low195 Ų195123.6 Ų123.691%0.91170%0.702SS**PPolyproline II helixtrans-62.5125.5167.2-165.7177142.800108.6P251P251-E253 PolarHBondContact O-N 2.77Å
254M35Very low41Very low169 Ų169126 Ų12683%0.83373%0.729SS**  trans-105.1140.1168.9-71-153.1-6000109.4
255P34.7Very low40.8Very low122 Ų122130 Ų13079%0.79275%0.75SS**  trans-75.4152.9-16730.2-34.2000113
256S35.8Very low40Very low100 Ų100137.4 Ų137.470%0.69977%0.773SS**  trans-60.2144.2174.151.10000112.9Q258S256-Q258 PolarHBondContact O-N 3.06Å
257P38.7Very low39.4Very low134 Ų134143.5 Ų143.587%0.8780%0.801SS**  trans-75.6114.3175-7.524.3000111.1
258Q37.7Very low38.7Very low165 Ų165140 Ų14077%0.77180%0.795SS**  trans-81.7127.2165.4-83.2-176.5-55.700110.7S256S256-Q258 PolarHBondContact O-N 3.06Å
259E34.9Very low38.3Very low164 Ų164136.9 Ų136.977%0.76679%0.79SS**  trans51.697.8140.7-69.5173.1113.100119.7E261E259-E261 PolarHBondContact O-N 3.47Å
260L44.2Very low38.3Very low183 Ų183139.4 Ų139.496%0.95879%0.792SS**  trans-74.699.3147-97.3151.7000108.7
261E41.4Very low38.4Very low164 Ų164147.2 Ų147.277%0.76681%0.812SS**  trans-169104.8158.2-110-82134.500108.2E259E259-E261 PolarHBondContact O-N 3.47Å
262A35.6Very low38.3Very low103 Ų103148.7 Ų148.785%0.85181%0.814SS**  trans-153.594.7159.400000109
263S35.9Very low38.3Very low98 Ų98150.3 Ų150.369%0.68582%0.817SS**  trans-34.5144.9166.6-80.50000115.9
264A45.1Very low38.3Very low95 Ų95147.8 Ų147.879%0.78581%0.811SS**  trans-56162.7163.300000112.8
265P46.1Very low38.5Very low132 Ų132146.5 Ų146.586%0.85781%0.81SS**  trans-123.7145.2134.629.7-16.4000112.5
266R34.3Very low38.7Very low222 Ų222148.1 Ų148.184%0.83881%0.811SS**  trans-90.9155.2179.7-156.5-173.4179.9170.3-0.9109
267M38.6Very low38.9Very low162 Ų162151.3 Ų151.380%0.79882%0.819SS**  trans77138.9159.1-83.9-175.5158.500116
268V38.1Very low38.9Very low105 Ų105152.5 Ų152.564%0.63682%0.815SS**  cis-167.1144.619.71520000104.8
269Q36.2Very low39Very low165 Ų165151.5 Ų151.577%0.77182%0.818SS**  171.6143.679.1-140.4150.713.700111.6
270T35.9Very low39.3Very low121 Ų121150.5 Ų150.574%0.74282%0.823SS**  trans43.4122.1143.255.10000122.2
271H40.8Very low38.9Very low256 Ų256147.5 Ų147.5100%1.18581%0.811SS**  -160.5089.4-140.1-63.5000111.5

Retrieved 271 of 271 residues in 347.4 ms (Link to these results)

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