A0A087XTD0_POEFO Loading...

TERF1 (TRF1)-interacting nuclear factor 2

AlphaFold DB , UniProt , Accession A0A087XTD0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 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
1M37.4Very low39.9Very low246 Ų246161.5 Ų161.5100%1.21284%0.838SS**  0137.30-68.6172173.700108.2
2A34.2Very low42.5Very low100 Ų100156.8 Ų156.883%0.82683%0.83SS**  trans-131115.317100000108R4A2-R4 PolarHBondContact O-N 2.76Å
3T36.9Very low45.2Very low140 Ų140146.5 Ų146.586%0.85978%0.775SS**  trans-75.4105.6-175.734.10000110.3K5T3-K5 PolarHBondContact O-N 2.99Å; T3-K5 VanDerWaalsContact O-N 3.09Å
4R35.9Very low48.1Very low245 Ų245140.6 Ų140.693%0.92575%0.75SS**  trans-61.2111.5165.1-76.3-176172.2-177.8-2.4108.2A2A2-R4 PolarHBondContact O-N 2.76Å
5K33.6Very low50.4Low195 Ų195140.4 Ų140.485%0.84874%0.74SS**  trans-62.5133.1160.7-71.4-171.2176-172.80108.1T3T3-K5 PolarHBondContact O-N 2.99Å; T3-K5 VanDerWaalsContact O-N 3.09Å
6P37Very low52.5Low102 Ų102133.9 Ų133.966%0.66271%0.713SS**  trans-63.9141.7164.528.8-32.6000108.9E8P6-E8 HydrophobicContact CB-CG 4.46Å; P6-E8 PolarHBondContact O-N 3.4Å
7K36Very low54.3Low207 Ų207126.1 Ų126.190%0.967%0.671SS**  trans-83.775161.8-82.4-170.4173.5-174.80107.8N9K7-N9 PolarHBondContact O-N 3.37Å; K7-N9 VanDerWaalsContact O-N 3.1Å
8E42.2Very low55.9Low167 Ų167122.5 Ų122.578%0.7865%0.652SS**  trans-67.9103.4157.6-72.4-180152.200106.7P6P6-E8 HydrophobicContact CB-CG 4.46Å; P6-E8 PolarHBondContact O-N 3.4Å
9N41.3Very low57.5Low136 Ų136121.8 Ų121.873%0.72765%0.645SS**  trans-150.539.6171.4-120.72.6000110.5K7 A11K7-N9 PolarHBondContact O-N 3.37Å; K7-N9 VanDerWaalsContact O-N 3.1Å; N9-A11 PolarHBondContact O-N 3.04Å
10D47.6Very low58.8Low166 Ų166120.3 Ų120.389%0.88864%0.636SS**  trans-69.352.8158.6-61.2-38.7000109.2S12D10-S12 PolarHBondContact O-N 3.32Å
11A56.7Low59.9Low72 Ų72118.3 Ų118.360%0.59563%0.626SS**  trans-78.369.3-173.300000109N9 L13N9-A11 PolarHBondContact O-N 3.04Å; A11-L13 PolarHBondContact O-N 3.23Å; A11-L13 VanDerWaalsContact O-N 3.1Å
12S71Confident62.1Low106 Ų106107.5 Ų107.574%0.74158%0.575SS**PPolyproline II helixtrans-46.7118178.459.80000110.2D10D10-S12 PolarHBondContact O-N 3.32Å
13L78.4Confident64.6Low22 Ų22105.1 Ų105.112%0.11555%0.551CS.*PPolyproline II helixtrans-55.1129.3-173.4-170.471.3000109.8A11 F15 A17 L18 L21 I207 H211A11-L13 PolarHBondContact O-N 3.23Å; A11-L13 VanDerWaalsContact O-N 3.1Å; L13-F15 PolarHBondContact O-N 3.03Å; L13-A17 HydrophobicContact CD1-CB 3.96Å; L13-A17 HydrophobicContact CD2-CB 3.96Å; L13-A17 HydrophobicContact CG-CB 3.72Å; L13-L18 HydrophobicContact CB-CD2 4.19Å; L13-L18 HydrophobicContact CB-CG 4.15Å; L13-L18 HydrophobicContact CD2-CD2 3.93Å; L13-L18 HydrophobicContact CD2-CG 4.14Å; L13-L18 HydrophobicContact CG-CG 4.39Å; L13-L18 WeakPolarHBondContact O-CD1 3.47Å; L13-L21 HydrophobicContact CD2-CD2 3.94Å; L13-I207 HydrophobicContact CD1-CG2 3.91Å; L13-H211 HydrophobicContact CD1-CB 4.43Å
14P85Confident67Low65 Ų65103.3 Ų103.342%0.42254%0.542SS..PPolyproline II helixtrans-53.8141.8-177.7-28.235.4000111.7A16 A17 L18P14-A16 PolarHBondContact O-N 3.16Å; P14-A16 VanDerWaalsContact O-N 3.09Å; P14-A17 WeakPolarHBondContact O-CA 3.37Å; P14-A17 WeakPolarHBondContact O-CB 3.42Å; P14-A17 PolarHBondContact O-N 2.91Å; P14-L18 PolarHBondContact O-N 2.82Å
15F83.3Confident69.4Low137 Ų13794 Ų9460%0.60151%0.512SS*.Hα-helixtrans-53-39.4-172.6-179.6-108000113.5L13 A17 L18 Q19 L27L13-F15 PolarHBondContact O-N 3.03Å; F15-A17 VanDerWaalsContact C-N 3.31Å; F15-A17 PolarHBondContact O-N 3.07Å; F15-L18 WeakPolarHBondContact O-CB 3.49Å; F15-L18 PolarHBondContact O-N 3.14Å; F15-L18 VanDerWaalsContact O-N 3.12Å; F15-Q19 HydrophobicContact CD1-CG 4.28Å; F15-Q19 HydrophobicContact CE1-CG 3.88Å; F15-Q19 HydrophobicContact CE2-CG 4.44Å; F15-Q19 HydrophobicContact CZ-CG 3.97Å; F15-Q19 WeakPolarHBondContact O-CG 3.46Å; F15-Q19 PolarHBondContact O-N 3.33Å; F15-L27 HydrophobicContact CE2-CD1 4.47Å
16A84Confident72.1Confident37 Ų3790.4 Ų90.431%0.30649%0.493SS..Hα-helixtrans-61.1-35.217500000113.3P14 Q19 L20 L204P14-A16 PolarHBondContact O-N 3.16Å; P14-A16 VanDerWaalsContact O-N 3.09Å; A16-Q19 WeakPolarHBondContact O-CB 3.31Å; A16-Q19 PolarHBondContact O-N 3.25Å; A16-L20 PolarHBondContact O-N 3.29Å; A16-L204 HydrophobicContact CB-CD1 4Å; A16-L204 HydrophobicContact CB-CD2 3.63Å; A16-L204 HydrophobicContact CB-CG 4.48Å
17A82.8Confident74.7Confident0 Ų087.3 Ų87.30%047%0.471CS..Hα-helixtrans-76.7-28.7175.300000111.9L13 P14 F15 Q19 L20 L21 L204L13-A17 HydrophobicContact CD1-CB 3.96Å; L13-A17 HydrophobicContact CD2-CB 3.96Å; L13-A17 HydrophobicContact CG-CB 3.72Å; P14-A17 WeakPolarHBondContact O-CA 3.37Å; P14-A17 WeakPolarHBondContact O-CB 3.42Å; P14-A17 PolarHBondContact O-N 2.91Å; F15-A17 VanDerWaalsContact C-N 3.31Å; F15-A17 PolarHBondContact O-N 3.07Å; A17-Q19 VanDerWaalsContact C-N 3.31Å; A17-L20 PolarHBondContact O-N 2.93Å; A17-L21 WeakPolarHBondContact O-CB 3.5Å; A17-L21 PolarHBondContact O-N 3.29Å; A17-L204 HydrophobicContact CB-CD1 3.66Å; A17-L204 HydrophobicContact CB-CG 4.01Å
18L83.6Confident77.4Confident62 Ų6280.2 Ų80.233%0.32545%0.445SS..Hα-helixtrans-64.8-35.7167-71.1168.1000111.7L13 P14 F15 L20 L21 A22 L27L13-L18 HydrophobicContact CB-CD2 4.19Å; L13-L18 HydrophobicContact CB-CG 4.15Å; L13-L18 HydrophobicContact CD2-CD2 3.93Å; L13-L18 HydrophobicContact CD2-CG 4.14Å; L13-L18 HydrophobicContact CG-CG 4.39Å; L13-L18 WeakPolarHBondContact O-CD1 3.47Å; P14-L18 PolarHBondContact O-N 2.82Å; F15-L18 WeakPolarHBondContact O-CB 3.49Å; F15-L18 PolarHBondContact O-N 3.14Å; F15-L18 VanDerWaalsContact O-N 3.12Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 2.97Å; L18-L21 PolarHBondContact O-N 3.25Å; L18-A22 PolarHBondContact O-N 3.3Å; L18-L27 HydrophobicContact CB-CD2 4.12Å
19Q86.5Confident79.8Confident110 Ų11073 Ų7351%0.51441%0.412SS..Hα-helixtrans-67.6-23172.8-66.4176.7-72.300113.9F15 A16 A17 L27F15-Q19 HydrophobicContact CD1-CG 4.28Å; F15-Q19 HydrophobicContact CE1-CG 3.88Å; F15-Q19 HydrophobicContact CE2-CG 4.44Å; F15-Q19 HydrophobicContact CZ-CG 3.97Å; F15-Q19 WeakPolarHBondContact O-CG 3.46Å; F15-Q19 PolarHBondContact O-N 3.33Å; A16-Q19 WeakPolarHBondContact O-CB 3.31Å; A16-Q19 PolarHBondContact O-N 3.25Å; A17-Q19 VanDerWaalsContact C-N 3.31Å; Q19-L27 HydrophobicContact CB-CD1 4.39Å; Q19-L27 HydrophobicContact CG-CD1 3.8Å
20L82.6Confident82.4Confident90 Ų9069 Ų6947%0.47140%0.399SS..Hα-helixtrans-84-26169.5-66.2-176.7000113A16 A17 L18 L204 L208A16-L20 PolarHBondContact O-N 3.29Å; A17-L20 PolarHBondContact O-N 2.93Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 2.97Å; L20-L204 HydrophobicContact CD1-CB 4.5Å; L20-L204 HydrophobicContact CD1-CD2 3.67Å; L20-L204 HydrophobicContact CD1-CG 3.98Å; L20-L204 HydrophobicContact CG-CD2 4.19Å; L20-L208 HydrophobicContact CB-CD1 3.7Å
21L82.4Confident84.6Confident80 Ų8063.8 Ų63.842%0.41938%0.378SS..Hα-helixtrans-90.8-30-174.4-175.160.6000113.8L13 A17 L18 L208L13-L21 HydrophobicContact CD2-CD2 3.94Å; A17-L21 WeakPolarHBondContact O-CB 3.5Å; A17-L21 PolarHBondContact O-N 3.29Å; L18-L21 PolarHBondContact O-N 3.25Å; L21-L208 HydrophobicContact CB-CD1 4.1Å
22A84.1Confident86.5Confident18 Ų1861 Ų6115%0.14935%0.354CS..SBendtrans-131.8137.1-174.800000111.7L18 R26 L27L18-A22 PolarHBondContact O-N 3.3Å; A22-R26 HydrophobicContact CB-CB 4.5Å; A22-L27 HydrophobicContact CB-CD2 3.94Å; A22-L27 HydrophobicContact CB-CG 4.18Å
23P85.3Confident87.8Confident50 Ų5057.8 Ų57.833%0.32533%0.325SS..  trans-54.8146.5174.4-26.735000112.2V25 R26 L27P23-V25 PolarHBondContact O-N 2.97Å; P23-V25 VanDerWaalsContact O-N 3.09Å; P23-R26 WeakPolarHBondContact O-CA 3.44Å; P23-R26 WeakPolarHBondContact O-CB 3.49Å; P23-R26 PolarHBondContact O-N 3.33Å; P23-L27 PolarHBondContact O-N 3.02Å
24P87Confident88.6Confident102 Ų10262.6 Ų62.666%0.66235%0.345SS*.Hα-helixtrans-52.6-38.7-175.4-30.235.9000114.4R26 L27 V28P24-R26 VanDerWaalsContact C-N 3.33Å; P24-R26 PolarHBondContact O-N 3.33Å; P24-L27 WeakPolarHBondContact O-CB 3.38Å; P24-L27 PolarHBondContact O-N 3.23Å; P24-V28 WeakPolarHBondContact O-CG2 3.39Å; P24-V28 PolarHBondContact O-N 3.27Å
25V87.9Confident89.2Confident50 Ų5060.9 Ų60.930%0.30333%0.333SS..Hα-helixtrans-65.1-35.7177.6-174.80000111.8P23 L27 V28 S29 L169 L173P23-V25 PolarHBondContact O-N 2.97Å; P23-V25 VanDerWaalsContact O-N 3.09Å; V25-L27 VanDerWaalsContact C-N 3.32Å; V25-L27 PolarHBondContact O-N 3.34Å; V25-V28 CarbonylContact O-C 3.56Å; V25-V28 PolarHBondContact O-N 2.98Å; V25-S29 WeakPolarHBondContact O-CB 3.44Å; V25-S29 PolarHBondContact O-N 3.31Å; V25-S29 PolarHBondContact O-OG 3.01Å; V25-S29 VanDerWaalsContact O-OG 3.08Å; V25-L169 HydrophobicContact CG1-CD1 4.28Å; V25-L169 HydrophobicContact CG1-CD2 3.75Å; V25-L169 HydrophobicContact CG1-CG 3.92Å; V25-L173 HydrophobicContact CB-CD1 3.42Å; V25-L173 VanDerWaalsContact CB-CD1 3.42Å; V25-L173 HydrophobicContact CG1-CD1 3.59Å; V25-L173 HydrophobicContact CG2-CD1 3.79Å
26R89.7Confident89.8Confident120 Ų12054.4 Ų54.445%0.45331%0.305SS..Hα-helixtrans-68.8-32.1177.1-169.8174.9175.7111.1-9.1111.9A22 P23 P24 A30 D170A22-R26 HydrophobicContact CB-CB 4.5Å; P23-R26 WeakPolarHBondContact O-CA 3.44Å; P23-R26 WeakPolarHBondContact O-CB 3.49Å; P23-R26 PolarHBondContact O-N 3.33Å; P24-R26 VanDerWaalsContact C-N 3.33Å; P24-R26 PolarHBondContact O-N 3.33Å; R26-A30 PolarHBondContact O-N 3.1Å; R26-D170 IonicContact CZ-OD1 3.88Å; R26-D170 IonicContact CZ-OD2 2.63Å; R26-D170 IonicContact NH1-OD1 3.58Å; R26-D170 PolarHBondContact NH1-OD1 3.22Å; R26-D170 IonicContact NH1-OD2 3.71Å; R26-D170 PolarHBondContact NH1-OD2 2.9Å
27L90.9Very high90.3Very high36 Ų3657 Ų5719%0.18831%0.31CS..Hα-helixtrans-68.3-40.9169.9-62.7177000111.8F15 L18 Q19 A22 P23 P24 V25 A30 A31F15-L27 HydrophobicContact CE2-CD1 4.47Å; L18-L27 HydrophobicContact CB-CD2 4.12Å; Q19-L27 HydrophobicContact CB-CD1 4.39Å; Q19-L27 HydrophobicContact CG-CD1 3.8Å; A22-L27 HydrophobicContact CB-CD2 3.94Å; A22-L27 HydrophobicContact CB-CG 4.18Å; P23-L27 PolarHBondContact O-N 3.02Å; P24-L27 WeakPolarHBondContact O-CB 3.38Å; P24-L27 PolarHBondContact O-N 3.23Å; V25-L27 VanDerWaalsContact C-N 3.32Å; V25-L27 PolarHBondContact O-N 3.34Å; L27-A30 PolarHBondContact O-N 3.12Å; L27-A31 PolarHBondContact O-N 3.27Å
28V92.9Very high90.9Very high59 Ų5963.4 Ų63.436%0.35834%0.339SS..Hα-helixtrans-62.4-47.4172.6173.50000110.6P24 V25 A30 A31 L32 F50P24-V28 WeakPolarHBondContact O-CG2 3.39Å; P24-V28 PolarHBondContact O-N 3.27Å; V25-V28 CarbonylContact O-C 3.56Å; V25-V28 PolarHBondContact O-N 2.98Å; V28-A30 VanDerWaalsContact C-N 3.3Å; V28-A30 PolarHBondContact O-N 3.26Å; V28-A31 WeakPolarHBondContact O-CA 3.46Å; V28-A31 WeakPolarHBondContact O-CB 3.22Å; V28-A31 PolarHBondContact O-N 3.36Å; V28-L32 HydrophobicContact CG1-CD1 3.81Å; V28-L32 HydrophobicContact CG1-CG 4.08Å; V28-L32 VanDerWaalsContact O-CG 3.3Å; V28-L32 WeakPolarHBondContact O-CG 3.38Å; V28-L32 PolarHBondContact O-N 2.97Å; V28-F50 HydrophobicContact CG1-CD2 4.08Å; V28-F50 HydrophobicContact CG1-CE1 4.42Å; V28-F50 HydrophobicContact CG1-CE2 3.65Å; V28-F50 HydrophobicContact CG1-CZ 3.83Å
29S93.9Very high91.4Very high14 Ų1464.3 Ų64.310%0.09834%0.339CS..Hα-helixtrans-52.7-45.3174.5-67.50000112.6V25 L32 W33 L166V25-S29 WeakPolarHBondContact O-CB 3.44Å; V25-S29 PolarHBondContact O-N 3.31Å; V25-S29 PolarHBondContact O-OG 3.01Å; V25-S29 VanDerWaalsContact O-OG 3.08Å; S29-L32 PolarHBondContact O-N 2.86Å; S29-W33 WeakPolarHBondContact O-CB 3.42Å; S29-W33 PolarHBondContact O-N 3.29Å; S29-L166 WeakPolarHBondContact O-CD1 3.34Å
30A93.9Very high91.9Very high54 Ų5462.2 Ų62.245%0.44633%0.331SS..Hα-helixtrans-65-38.1175.900000112.7R26 L27 V28 K34R26-A30 PolarHBondContact O-N 3.1Å; L27-A30 PolarHBondContact O-N 3.12Å; V28-A30 VanDerWaalsContact C-N 3.3Å; V28-A30 PolarHBondContact O-N 3.26Å; A30-K34 VanDerWaalsContact O-CB 3.3Å; A30-K34 WeakPolarHBondContact O-CB 3.16Å; A30-K34 PolarHBondContact O-N 3.46Å
31A94.9Very high92.5Very high55 Ų5558.2 Ų58.246%0.45531%0.31SS..Hα-helixtrans-67.4-43.8175.800000112.4L27 V28 K34 V35L27-A31 PolarHBondContact O-N 3.27Å; V28-A31 WeakPolarHBondContact O-CA 3.46Å; V28-A31 WeakPolarHBondContact O-CB 3.22Å; V28-A31 PolarHBondContact O-N 3.36Å; A31-K34 PolarHBondContact O-N 3.03Å; A31-V35 WeakPolarHBondContact O-CG2 3.37Å; A31-V35 PolarHBondContact O-N 3.03Å
32L96.8Very high93.1Very high14 Ų1458.5 Ų58.57%0.07331%0.31CS..Hα-helixtrans-62-43.7176.3-64.9171.8000111.5V28 S29 K34 V35 L36 V47 F50 L166V28-L32 HydrophobicContact CG1-CD1 3.81Å; V28-L32 HydrophobicContact CG1-CG 4.08Å; V28-L32 VanDerWaalsContact O-CG 3.3Å; V28-L32 WeakPolarHBondContact O-CG 3.38Å; V28-L32 PolarHBondContact O-N 2.97Å; S29-L32 PolarHBondContact O-N 2.86Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.31Å; L32-V35 PolarHBondContact O-N 3.42Å; L32-L36 PolarHBondContact O-N 3.03Å; L32-L36 VanDerWaalsContact O-N 3.16Å; L32-V47 HydrophobicContact CD2-CB 4.18Å; L32-V47 HydrophobicContact CD2-CG1 4.24Å; L32-V47 HydrophobicContact CD2-CG2 3.85Å; L32-F50 HydrophobicContact CD1-CB 4.42Å; L32-F50 HydrophobicContact CD1-CD1 3.3Å; L32-F50 HydrophobicContact CD1-CE1 3.55Å; L32-F50 HydrophobicContact CD1-CG 3.85Å; L32-F50 HydrophobicContact CD1-CZ 4.3Å; L32-L166 HydrophobicContact CD1-CD2 4.34Å
33W97.3Very high93.6Very high38 Ų3861.6 Ų61.614%0.14432%0.322CS..Hα-helixtrans-61.6-42.4174.1-174-128000112.1S29 L36 K37 E159 L162 W163 L166S29-W33 WeakPolarHBondContact O-CB 3.42Å; S29-W33 PolarHBondContact O-N 3.29Å; W33-L36 PolarHBondContact O-N 2.85Å; W33-K37 HydrophobicContact CD2-CG 4.14Å; W33-K37 HydrophobicContact CG-CG 4.49Å; W33-K37 HydrophobicContact CZ2-CD 4.35Å; W33-K37 HydrophobicContact CZ2-CG 4.33Å; W33-K37 WeakPolarHBondContact O-CB 3.36Å; W33-K37 WeakPolarHBondContact O-CG 3.46Å; W33-K37 PolarHBondContact O-N 2.97Å; W33-E159 HydrophobicContact CH2-CB 4.14Å; W33-E159 HydrophobicContact CH2-CG 4.43Å; W33-E159 HydrophobicContact CZ3-CB 4.12Å; W33-E159 HydrophobicContact CZ3-CG 4.33Å; W33-E159 WeakPolarHBondContact CZ3-O 3.35Å; W33-L162 HydrophobicContact CE3-CD2 4.32Å; W33-W163 AromaticContact CD1-CZ3 3.71Å; W33-W163 AromaticContact CD2-CE3 3.5Å; W33-W163 HydrophobicContact CD2-CE3 3.5Å; W33-W163 VanDerWaalsContact CD2-CE3 3.5Å; W33-W163 AromaticContact CD2-CZ3 3.66Å; W33-W163 HydrophobicContact CD2-CZ3 3.66Å; W33-W163 AromaticContact CE2-CE3 3.43Å; W33-W163 VanDerWaalsContact CE2-CE3 3.43Å; W33-W163 AromaticContact CE2-CZ3 3.48Å; W33-W163 VanDerWaalsContact CE2-CZ3 3.48Å; W33-W163 AromaticContact CE3-CE3 3.69Å; W33-W163 HydrophobicContact CE3-CE3 3.69Å; W33-W163 HydrophobicContact CE3-CZ3 4.31Å; W33-W163 HydrophobicContact CG-CE3 4.08Å; W33-W163 AromaticContact CG-CZ3 3.77Å; W33-W163 HydrophobicContact CG-CZ3 3.77Å; W33-W163 HydrophobicContact CH2-CB 3.9Å; W33-W163 HydrophobicContact CH2-CD2 4Å; W33-W163 AromaticContact CH2-CE3 3.76Å; W33-W163 HydrophobicContact CH2-CE3 3.76Å; W33-W163 HydrophobicContact CH2-CG 4.1Å; W33-W163 AromaticContact CZ2-CD2 3.97Å; W33-W163 HydrophobicContact CZ2-CD2 3.97Å; W33-W163 AromaticContact CZ2-CE3 3.55Å; W33-W163 HydrophobicContact CZ2-CE3 3.55Å; W33-W163 HydrophobicContact CZ2-CG 4.49Å; W33-W163 AromaticContact CZ2-CZ3 3.97Å; W33-W163 HydrophobicContact CZ2-CZ3 3.97Å; W33-W163 HydrophobicContact CZ3-CB 3.88Å; W33-W163 HydrophobicContact CZ3-CD2 4.34Å; W33-W163 AromaticContact CZ3-CE3 3.83Å; W33-W163 HydrophobicContact CZ3-CE3 3.83Å; W33-W163 HydrophobicContact CZ3-CG 4.41Å; W33-W163 AromaticContact NE1-CE3 3.99Å; W33-W163 AromaticContact NE1-CZ3 3.53Å; W33-L166 HydrophobicContact CB-CD1 3.81Å; W33-L166 HydrophobicContact CE3-CD1 4.39Å; W33-L166 HydrophobicContact CG-CD1 4.48Å
34K95.9Very high94.2Very high123 Ų12359.3 Ų59.354%0.53531%0.307SS..Hα-helixtrans-65.2-43.3178-175.7171.2179.1176.30112.4A30 A31 L32 L36 K37 Q38A30-K34 VanDerWaalsContact O-CB 3.3Å; A30-K34 WeakPolarHBondContact O-CB 3.16Å; A30-K34 PolarHBondContact O-N 3.46Å; A31-K34 PolarHBondContact O-N 3.03Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.31Å; K34-L36 VanDerWaalsContact C-N 3.31Å; K34-L36 PolarHBondContact O-N 2.72Å; K34-K37 PolarHBondContact O-N 2.96Å; K34-Q38 HydrophobicContact CG-CG 4.14Å; K34-Q38 WeakPolarHBondContact O-CB 3.39Å; K34-Q38 WeakPolarHBondContact O-CG 3.35Å; K34-Q38 PolarHBondContact O-N 3.42Å
35V97.1Very high94.5Very high29 Ų2954.7 Ų54.718%0.17628%0.278CS..Hα-helixtrans-52.9-49.9172.5158.50000110.8A31 L32 Q38 R39 D40 Q43 Y44 V47A31-V35 WeakPolarHBondContact O-CG2 3.37Å; A31-V35 PolarHBondContact O-N 3.03Å; L32-V35 PolarHBondContact O-N 3.42Å; V35-Q38 PolarHBondContact O-N 2.67Å; V35-R39 PolarHBondContact O-N 3.42Å; V35-D40 HydrophobicContact CG1-CB 4.41Å; V35-D40 PolarHBondContact O-N 3.39Å; V35-Q43 HydrophobicContact CG1-CB 3.63Å; V35-Q43 HydrophobicContact CG2-CB 4.02Å; V35-Q43 HydrophobicContact CG2-CG 4.39Å; V35-Y44 HydrophobicContact CG1-CD1 4.02Å; V35-Y44 HydrophobicContact CG1-CE1 4.25Å; V35-V47 HydrophobicContact CB-CG2 4.32Å; V35-V47 HydrophobicContact CG1-CG2 3.63Å
36L95.6Very high94.8Very high1 Ų156.2 Ų56.21%0.00529%0.287CS..Hα-helixtrans-66.6-46.1-178.9-148.782.6000111.3L32 W33 K34 Q38 R39 Y44 L74 L158 E159 L162L32-L36 PolarHBondContact O-N 3.03Å; L32-L36 VanDerWaalsContact O-N 3.16Å; W33-L36 PolarHBondContact O-N 2.85Å; K34-L36 VanDerWaalsContact C-N 3.31Å; K34-L36 PolarHBondContact O-N 2.72Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 3.08Å; L36-R39 PolarHBondContact O-N 3.04Å; L36-R39 VanDerWaalsContact O-N 3.08Å; L36-R39 PolarHBondContact O-NH1 3.11Å; L36-Y44 HydrophobicContact CD1-CD1 4.15Å; L36-Y44 HydrophobicContact CD1-CD2 4.47Å; L36-Y44 HydrophobicContact CD1-CE1 3.67Å; L36-Y44 HydrophobicContact CD1-CE2 3.99Å; L36-Y44 HydrophobicContact CG-CE1 4.45Å; L36-L74 HydrophobicContact CD1-CD2 3.54Å; L36-L158 HydrophobicContact CD2-CB 4.33Å; L36-E159 HydrophobicContact CD2-CB 4.29Å; L36-E159 HydrophobicContact CD2-CG 3.82Å; L36-L162 HydrophobicContact CB-CD2 3.83Å; L36-L162 HydrophobicContact CD1-CD2 4.28Å; L36-L162 HydrophobicContact CD2-CB 3.96Å; L36-L162 HydrophobicContact CD2-CD2 3.7Å; L36-L162 HydrophobicContact CD2-CG 4.48Å; L36-L162 HydrophobicContact CG-CD2 4.15Å
37K94.3Very high95.2Very high93 Ų9350.5 Ų50.540%0.40427%0.266SS..Hα-helixtrans-63.4-33.9178.5-78-70.9180-1740114W33 K34 R39 E159W33-K37 HydrophobicContact CD2-CG 4.14Å; W33-K37 HydrophobicContact CG-CG 4.49Å; W33-K37 HydrophobicContact CZ2-CD 4.35Å; W33-K37 HydrophobicContact CZ2-CG 4.33Å; W33-K37 WeakPolarHBondContact O-CB 3.36Å; W33-K37 WeakPolarHBondContact O-CG 3.46Å; W33-K37 PolarHBondContact O-N 2.97Å; K34-K37 PolarHBondContact O-N 2.96Å; K37-R39 VanDerWaalsContact C-N 3.28Å; K37-E159 WeakPolarHBondContact CE-OE2 3.31Å; K37-E159 VanDerWaalsContact NZ-CD 3.27Å; K37-E159 IonicContact NZ-OE1 2.78Å; K37-E159 PolarHBondContact NZ-OE1 3.09Å; K37-E159 IonicContact NZ-OE2 2.78Å; K37-E159 PolarHBondContact NZ-OE2 2.78Å
38Q95.4Very high95.3Very high133 Ų13349.4 Ų49.462%0.62126%0.26SS*.THydrogen-bonded Turntrans-83.7-2.3175.9-65.6-170.2-62.900113.2K34 V35 L36 D40K34-Q38 HydrophobicContact CG-CG 4.14Å; K34-Q38 WeakPolarHBondContact O-CB 3.39Å; K34-Q38 WeakPolarHBondContact O-CG 3.35Å; K34-Q38 PolarHBondContact O-N 3.42Å; V35-Q38 PolarHBondContact O-N 2.67Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 3.08Å; Q38-D40 PolarHBondContact O-N 3.04Å
39R95Very high95.4Very high82 Ų8250.7 Ų50.731%0.30926%0.262SS..THydrogen-bonded Turntrans53.840.2-174.9-57-64.4-174.7-90-2.7112.4V35 L36 K37 V41 Y44 D155 E159V35-R39 PolarHBondContact O-N 3.42Å; L36-R39 PolarHBondContact O-N 3.04Å; L36-R39 VanDerWaalsContact O-N 3.08Å; L36-R39 PolarHBondContact O-NH1 3.11Å; K37-R39 VanDerWaalsContact C-N 3.28Å; R39-V41 PolarHBondContact O-N 3.38Å; R39-Y44 WeakPolarHBondContact CD-OH 3.46Å; R39-D155 WeakPolarHBondContact CD-OD2 3.43Å; R39-D155 IonicContact CZ-OD2 2.64Å; R39-D155 IonicContact NE-OD1 2.71Å; R39-D155 IonicContact NE-OD2 2.68Å; R39-D155 PolarHBondContact NE-OD2 3.15Å; R39-D155 IonicContact NH2-OD2 3.65Å; R39-E159 IonicContact CZ-OE1 2.85Å; R39-E159 VanDerWaalsContact CZ-OE1 3.25Å; R39-E159 IonicContact NH1-OE1 3.49Å; R39-E159 PolarHBondContact NH1-OE1 3.48Å; R39-E159 IonicContact NH2-OE1 3.56Å; R39-E159 PolarHBondContact NH2-OE1 3.32Å
40D96.1Very high95.5Very high65 Ų6553 Ų5335%0.34827%0.27SS..  trans-76.773.3169.6-170-5.9000109.5V35 Q38 M42 Q43 Y44V35-D40 HydrophobicContact CG1-CB 4.41Å; V35-D40 PolarHBondContact O-N 3.39Å; Q38-D40 PolarHBondContact O-N 3.04Å; D40-M42 PolarHBondContact O-N 3.3Å; D40-M42 VanDerWaalsContact O-N 3.16Å; D40-Q43 HydrophobicContact CB-CG 4.35Å; D40-Q43 VanDerWaalsContact CG-CG 3.48Å; D40-Q43 PolarHBondContact O-N 3.33Å; D40-Q43 WeakPolarHBondContact OD2-CG 3.46Å; D40-Y44 VanDerWaalsContact O-CD1 3.26Å; D40-Y44 WeakPolarHBondContact O-CD1 3.29Å
41V95.7Very high95.5Very high7 Ų750.4 Ų50.44%0.04225%0.249CC..G310 helixtrans-59.6-26.7-174.7177.10000111.8R39 Q43 Y44 R77 L78 E81R39-V41 PolarHBondContact O-N 3.38Å; V41-Q43 PolarHBondContact O-N 3.14Å; V41-Y44 HydrophobicContact CG1-CD2 4.29Å; V41-Y44 HydrophobicContact CG2-CE1 4.28Å; V41-Y44 HydrophobicContact CG2-CE2 4.06Å; V41-Y44 WeakPolarHBondContact O-CB 3.34Å; V41-Y44 PolarHBondContact O-N 3Å; V41-Y44 VanDerWaalsContact O-N 3.12Å; V41-R77 HydrophobicContact CG1-CG 4.13Å; V41-R77 WeakPolarHBondContact CG1-O 3.34Å; V41-R77 HydrophobicContact CG2-CG 4.3Å; V41-L78 WeakPolarHBondContact O-CD1 3.18Å; V41-E81 HydrophobicContact CB-CB 4.38Å; V41-E81 HydrophobicContact CB-CG 4.09Å; V41-E81 HydrophobicContact CG1-CB 3.58Å; V41-E81 HydrophobicContact CG1-CG 3.85Å
42M94.9Very high95.4Very high86 Ų8648.6 Ų48.642%0.42423%0.233SC..G310 helixtrans-63.9-29.8176.2-55.8-52.8-57.700112D40 E81 L82D40-M42 PolarHBondContact O-N 3.3Å; D40-M42 VanDerWaalsContact O-N 3.16Å; M42-E81 HydrophobicContact SD-CG 4.29Å; M42-L82 HydrophobicContact CE-CD2 4Å
43Q96Very high95.2Very high83 Ų8350.9 Ų50.939%0.38825%0.25SC..G310 helixtrans-86.2-7.4177.1-59.6-61.7-26.200113.5V35 D40 V41 G45 V46 V47V35-Q43 HydrophobicContact CG1-CB 3.63Å; V35-Q43 HydrophobicContact CG2-CB 4.02Å; V35-Q43 HydrophobicContact CG2-CG 4.39Å; D40-Q43 HydrophobicContact CB-CG 4.35Å; D40-Q43 VanDerWaalsContact CG-CG 3.48Å; D40-Q43 PolarHBondContact O-N 3.33Å; D40-Q43 WeakPolarHBondContact OD2-CG 3.46Å; V41-Q43 PolarHBondContact O-N 3.14Å; Q43-G45 PolarHBondContact O-N 3.47Å; Q43-V46 WeakPolarHBondContact O-CB 3.17Å; Q43-V46 PolarHBondContact O-N 3.02Å; Q43-V47 PolarHBondContact O-N 3.17Å; Q43-V47 VanDerWaalsContact O-N 3.14Å
44Y96.3Very high95Very high1 Ų149.9 Ų49.90%0.00425%0.249CC..Hα-helixtrans-60.5-23.1-178.3-76.219.8000112.6V35 L36 R39 D40 V41 V47 E48 L74 R77 L158V35-Y44 HydrophobicContact CG1-CD1 4.02Å; V35-Y44 HydrophobicContact CG1-CE1 4.25Å; L36-Y44 HydrophobicContact CD1-CD1 4.15Å; L36-Y44 HydrophobicContact CD1-CD2 4.47Å; L36-Y44 HydrophobicContact CD1-CE1 3.67Å; L36-Y44 HydrophobicContact CD1-CE2 3.99Å; L36-Y44 HydrophobicContact CG-CE1 4.45Å; R39-Y44 WeakPolarHBondContact CD-OH 3.46Å; D40-Y44 VanDerWaalsContact O-CD1 3.26Å; D40-Y44 WeakPolarHBondContact O-CD1 3.29Å; V41-Y44 HydrophobicContact CG1-CD2 4.29Å; V41-Y44 HydrophobicContact CG2-CE1 4.28Å; V41-Y44 HydrophobicContact CG2-CE2 4.06Å; V41-Y44 WeakPolarHBondContact O-CB 3.34Å; V41-Y44 PolarHBondContact O-N 3Å; V41-Y44 VanDerWaalsContact O-N 3.12Å; Y44-V47 PolarHBondContact O-N 3.44Å; Y44-E48 WeakPolarHBondContact O-CB 3.44Å; Y44-E48 PolarHBondContact O-N 2.96Å; Y44-L74 HydrophobicContact CD1-CD2 4.48Å; Y44-L74 HydrophobicContact CD2-CD2 3.73Å; Y44-L74 HydrophobicContact CE2-CD2 4.29Å; Y44-L74 HydrophobicContact CG-CD2 3.84Å; Y44-R77 HydrophobicContact CD2-CB 4.13Å; Y44-R77 HydrophobicContact CD2-CG 4.31Å; Y44-R77 HydrophobicContact CE2-CB 4.2Å; Y44-R77 HydrophobicContact CE2-CG 3.96Å; Y44-L158 HydrophobicContact CE2-CD1 4.17Å
45G93.6Very high94.8Very high6 Ų644.4 Ų44.46%0.06223%0.226CC..Hα-helixtrans-66-36.4171.500000114Q43 E49 R75Q43-G45 PolarHBondContact O-N 3.47Å; G45-E49 WeakPolarHBondContact O-CB 3.45Å; G45-E49 PolarHBondContact O-N 3.22Å; G45-R75 VanDerWaalsContact CA-CZ 3.48Å; G45-R75 PolarHBondContact O-NH2 3.23Å
46V94.9Very high94.5Very high81 Ų8149.9 Ų49.949%0.49125%0.25SS..Hα-helixtrans-73.9-37.1175-175.30000110.4Q43 E48 E49 F50Q43-V46 WeakPolarHBondContact O-CB 3.17Å; Q43-V46 PolarHBondContact O-N 3.02Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-E49 PolarHBondContact O-N 2.94Å; V46-F50 PolarHBondContact O-N 3.41Å
47V96.8Very high94.3Very high1 Ų154.9 Ų54.91%0.00628%0.281CS..Hα-helixtrans-60.9-44.1173.6-176.30000110.9L32 V35 Q43 Y44 V51 L74 L162L32-V47 HydrophobicContact CD2-CB 4.18Å; L32-V47 HydrophobicContact CD2-CG1 4.24Å; L32-V47 HydrophobicContact CD2-CG2 3.85Å; V35-V47 HydrophobicContact CB-CG2 4.32Å; V35-V47 HydrophobicContact CG1-CG2 3.63Å; Q43-V47 PolarHBondContact O-N 3.17Å; Q43-V47 VanDerWaalsContact O-N 3.14Å; Y44-V47 PolarHBondContact O-N 3.44Å; V47-V51 VanDerWaalsContact O-CG2 3.29Å; V47-V51 WeakPolarHBondContact O-CG2 3.44Å; V47-V51 PolarHBondContact O-N 3.24Å; V47-L74 HydrophobicContact CB-CD1 4.22Å; V47-L74 HydrophobicContact CB-CD2 4.37Å; V47-L74 HydrophobicContact CG1-CD1 3.78Å; V47-L74 HydrophobicContact CG1-CD2 4.12Å; V47-L162 HydrophobicContact CG1-CD1 4.01Å; V47-L162 HydrophobicContact CG1-CD2 4.2Å
48E94.9Very high94.2Very high13 Ų1353.1 Ų53.16%0.06128%0.278CS..Hα-helixtrans-66.8-47.7177.7-174.5-84.9131.400112.4Y44 V46 F50 V51 S52 V71 L74 R75Y44-E48 WeakPolarHBondContact O-CB 3.44Å; Y44-E48 PolarHBondContact O-N 2.96Å; V46-E48 VanDerWaalsContact C-N 3.34Å; E48-F50 PolarHBondContact O-N 3.33Å; E48-V51 PolarHBondContact O-N 3.16Å; E48-S52 PolarHBondContact O-N 3Å; E48-S52 WeakPolarHBondContact OE1-CB 3.47Å; E48-S52 PolarHBondContact OE1-OG 3.19Å; E48-V71 HydrophobicContact CG-CB 4.04Å; E48-V71 HydrophobicContact CG-CG1 3.73Å; E48-V71 HydrophobicContact CG-CG2 4.08Å; E48-L74 HydrophobicContact CB-CB 4.13Å; E48-L74 HydrophobicContact CB-CD1 4.03Å; E48-R75 HydrophobicContact CB-CG 4.27Å; E48-R75 HydrophobicContact CG-CG 3.9Å; E48-R75 IonicContact OE2-CZ 2.71Å; E48-R75 IonicContact OE2-NE 2.78Å; E48-R75 PolarHBondContact OE2-NE 2.69Å; E48-R75 IonicContact OE2-NH2 2.62Å; E48-R75 PolarHBondContact OE2-NH2 3.01Å
49E93.9Very high93.9Very high86 Ų8652 Ų5240%0.40228%0.282SS..Hα-helixtrans-56.1-38.1177.5-87.9154.8-148.900111.8G45 V46 S53 R75 R98G45-E49 WeakPolarHBondContact O-CB 3.45Å; G45-E49 PolarHBondContact O-N 3.22Å; V46-E49 PolarHBondContact O-N 2.94Å; E49-S53 VanDerWaalsContact O-CB 3.24Å; E49-S53 WeakPolarHBondContact O-CB 3.4Å; E49-S53 PolarHBondContact O-N 3.07Å; E49-S53 VanDerWaalsContact O-N 3.12Å; E49-R75 VanDerWaalsContact CD-NH2 3.32Å; E49-R75 VanDerWaalsContact CG-NH2 3.35Å; E49-R75 IonicContact OE1-CZ 3.48Å; E49-R75 IonicContact OE1-NH1 3.75Å; E49-R75 IonicContact OE1-NH2 3.72Å; E49-R75 PolarHBondContact OE1-NH2 3.45Å; E49-R98 IonicContact OE1-CZ 3.28Å; E49-R98 VanDerWaalsContact OE1-CZ 3.28Å; E49-R98 IonicContact OE1-NE 2.94Å; E49-R98 PolarHBondContact OE1-NE 3.22Å; E49-R98 IonicContact OE1-NH2 2.8Å; E49-R98 PolarHBondContact OE1-NH2 3.13Å
50F95.3Very high93.5Very high62 Ų6251.1 Ų51.127%0.27230%0.299SS..Hα-helixtrans-68.6-45.9173-175-90000113.1V28 L32 V46 E48 S52 A54 F165 L169V28-F50 HydrophobicContact CG1-CD2 4.08Å; V28-F50 HydrophobicContact CG1-CE1 4.42Å; V28-F50 HydrophobicContact CG1-CE2 3.65Å; V28-F50 HydrophobicContact CG1-CZ 3.83Å; L32-F50 HydrophobicContact CD1-CB 4.42Å; L32-F50 HydrophobicContact CD1-CD1 3.3Å; L32-F50 HydrophobicContact CD1-CE1 3.55Å; L32-F50 HydrophobicContact CD1-CG 3.85Å; L32-F50 HydrophobicContact CD1-CZ 4.3Å; V46-F50 PolarHBondContact O-N 3.41Å; E48-F50 PolarHBondContact O-N 3.33Å; F50-S52 PolarHBondContact O-N 2.99Å; F50-A54 VanDerWaalsContact O-CB 3.25Å; F50-A54 WeakPolarHBondContact O-CB 3.49Å; F50-A54 PolarHBondContact O-N 3.38Å; F50-F165 AromaticContact CD1-CE1 3.9Å; F50-F165 HydrophobicContact CD1-CE1 3.9Å; F50-F165 AromaticContact CD1-CZ 3.82Å; F50-F165 HydrophobicContact CD1-CZ 3.82Å; F50-F165 AromaticContact CE1-CE1 3.8Å; F50-F165 HydrophobicContact CE1-CE1 3.8Å; F50-F165 AromaticContact CE1-CZ 3.77Å; F50-F165 HydrophobicContact CE1-CZ 3.77Å; F50-L169 HydrophobicContact CE1-CD2 3.64Å; F50-L169 HydrophobicContact CZ-CD2 3.88Å
51V94.6Very high93.3Very high0 Ų048.5 Ų48.50%028%0.284CS..Hα-helixtrans-60.5-45.8179.2165.30000111.5V47 E48 C55 L70 V71 L162 F165V47-V51 VanDerWaalsContact O-CG2 3.29Å; V47-V51 WeakPolarHBondContact O-CG2 3.44Å; V47-V51 PolarHBondContact O-N 3.24Å; E48-V51 PolarHBondContact O-N 3.16Å; V51-C55 WeakPolarHBondContact O-CB 3.39Å; V51-C55 PolarHBondContact O-N 3.26Å; V51-C55 PolarHBondContact O-SG 3.43Å; V51-L70 HydrophobicContact CG1-CD2 3.8Å; V51-L70 HydrophobicContact CG1-CG 4.24Å; V51-L70 HydrophobicContact CG2-CD2 4.01Å; V51-V71 HydrophobicContact CG1-CG2 4.19Å; V51-L162 HydrophobicContact CG2-CD1 4.08Å; V51-F165 HydrophobicContact CB-CE2 4.22Å; V51-F165 HydrophobicContact CB-CZ 4.27Å; V51-F165 HydrophobicContact CG1-CD2 4.21Å; V51-F165 HydrophobicContact CG1-CE2 4.16Å; V51-F165 HydrophobicContact CG2-CD1 3.97Å; V51-F165 HydrophobicContact CG2-CD2 4.28Å; V51-F165 HydrophobicContact CG2-CE1 3.79Å; V51-F165 HydrophobicContact CG2-CE2 4.09Å; V51-F165 HydrophobicContact CG2-CG 4.22Å; V51-F165 HydrophobicContact CG2-CZ 3.86Å
52S92.4Very high93.1Very high17 Ų1748.6 Ų48.612%0.11929%0.285CS..Hα-helixtrans-65.8-50.2179.7-720000111.2E48 F50 A54 C55 E56 V71E48-S52 PolarHBondContact O-N 3Å; E48-S52 WeakPolarHBondContact OE1-CB 3.47Å; E48-S52 PolarHBondContact OE1-OG 3.19Å; F50-S52 PolarHBondContact O-N 2.99Å; S52-A54 VanDerWaalsContact C-N 3.32Å; S52-A54 PolarHBondContact O-N 3.01Å; S52-C55 PolarHBondContact O-N 2.98Å; S52-C55 VanDerWaalsContact O-N 3.13Å; S52-E56 WeakPolarHBondContact O-CG 3.42Å; S52-E56 PolarHBondContact O-N 3.3Å; S52-V71 VanDerWaalsContact OG-CG2 3.29Å; S52-V71 WeakPolarHBondContact OG-CG2 3.39Å
53S93.3Very high92.9Very high62 Ų6247.9 Ų47.943%0.43429%0.285SS..Hα-helixtrans-60.4-38.1177.9-177.50000113E49 T57E49-S53 VanDerWaalsContact O-CB 3.24Å; E49-S53 WeakPolarHBondContact O-CB 3.4Å; E49-S53 PolarHBondContact O-N 3.07Å; E49-S53 VanDerWaalsContact O-N 3.12Å; S53-T57 VanDerWaalsContact O-CB 3.31Å; S53-T57 WeakPolarHBondContact O-CB 3.45Å; S53-T57 PolarHBondContact O-N 3.25Å; S53-T57 PolarHBondContact O-OG1 3.05Å
54A93Very high92.5Very high16 Ų1649.2 Ų49.213%0.13229%0.294CS..Hα-helixtrans-67.8-38.7175.300000112.7F50 S52 T57 V58 L61 F165F50-A54 VanDerWaalsContact O-CB 3.25Å; F50-A54 WeakPolarHBondContact O-CB 3.49Å; F50-A54 PolarHBondContact O-N 3.38Å; S52-A54 VanDerWaalsContact C-N 3.32Å; S52-A54 PolarHBondContact O-N 3.01Å; A54-T57 PolarHBondContact O-N 3.36Å; A54-V58 PolarHBondContact O-N 3.24Å; A54-L61 HydrophobicContact CB-CD2 3.91Å; A54-F165 HydrophobicContact CB-CE2 3.82Å; A54-F165 HydrophobicContact CB-CZ 3.71Å
55C91.3Very high92.2Very high8 Ų855.6 Ų55.65%0.05432%0.318CS..Hα-helixtrans-75-27.5176.7-65.40000113.4V51 S52 V58 P59 Q67V51-C55 WeakPolarHBondContact O-CB 3.39Å; V51-C55 PolarHBondContact O-N 3.26Å; V51-C55 PolarHBondContact O-SG 3.43Å; S52-C55 PolarHBondContact O-N 2.98Å; S52-C55 VanDerWaalsContact O-N 3.13Å; C55-V58 CarbonylContact O-C 3.48Å; C55-P59 WeakPolarHBondContact O-CA 3.38Å; C55-Q67 VanDerWaalsContact CB-CD 3.46Å; C55-Q67 HydrophobicContact CB-CG 4.19Å
56E90.9Very high92.2Very high145 Ų14558 Ų5868%0.67833%0.328SS*.Hα-helixtrans-69.8-42.2169-73.6172.4178.300111.4S52S52-E56 WeakPolarHBondContact O-CG 3.42Å; S52-E56 PolarHBondContact O-N 3.3Å
57T92.5Very high92.1Very high106 Ų10656 Ų5665%0.6531%0.313SS*.Hα-helixtrans-70.8-36.1179.1-55.60000112.2S53 A54S53-T57 VanDerWaalsContact O-CB 3.31Å; S53-T57 WeakPolarHBondContact O-CB 3.45Å; S53-T57 PolarHBondContact O-N 3.25Å; S53-T57 PolarHBondContact O-OG1 3.05Å; A54-T57 PolarHBondContact O-N 3.36Å
58V90.9Very high91.8Very high56 Ų5656.8 Ų56.834%0.33932%0.322SS..SBendtrans-127.784.5177.3-169.30000110.2A54 C55 G60 L61 L172A54-V58 PolarHBondContact O-N 3.24Å; C55-V58 CarbonylContact O-C 3.48Å; V58-G60 PolarHBondContact O-N 2.76Å; V58-L61 HydrophobicContact CB-CB 4.47Å; V58-L61 VanDerWaalsContact O-CB 3.23Å; V58-L61 WeakPolarHBondContact O-CB 3.41Å; V58-L61 PolarHBondContact O-N 2.71Å; V58-L61 VanDerWaalsContact O-N 3.17Å; V58-L172 HydrophobicContact CB-CD1 4.27Å; V58-L172 HydrophobicContact CG1-CD1 3.89Å; V58-L172 HydrophobicContact CG2-CD1 4.09Å
59P88.6Confident91.7Very high110 Ų11060.8 Ų60.871%0.71434%0.339SS*.THydrogen-bonded Turntrans-55.8132.9176.3-2735.9000112.1C55C55-P59 WeakPolarHBondContact O-CA 3.38Å
60G87.1Confident91.8Very high63 Ų6356.7 Ų56.765%0.64932%0.32SS*.THydrogen-bonded Turntrans88.9-0.6-177.300000115.5V58 L62V58-G60 PolarHBondContact O-N 2.76Å; G60-L62 CarbonylContact C-O 3.46Å; G60-L62 PolarHBondContact O-N 3.05Å
61L91.4Very high91.7Very high10 Ų1055 Ų555%0.05231%0.314CS..SBendtrans-52.5-36.5168.9179.467.5000112A54 V58 F165 R168 L169 L172A54-L61 HydrophobicContact CB-CD2 3.91Å; V58-L61 HydrophobicContact CB-CB 4.47Å; V58-L61 VanDerWaalsContact O-CB 3.23Å; V58-L61 WeakPolarHBondContact O-CB 3.41Å; V58-L61 PolarHBondContact O-N 2.71Å; V58-L61 VanDerWaalsContact O-N 3.17Å; L61-F165 HydrophobicContact CD2-CD2 3.9Å; L61-F165 HydrophobicContact CD2-CE2 3.47Å; L61-F165 VanDerWaalsContact CD2-CE2 3.47Å; L61-F165 HydrophobicContact CD2-CZ 4.32Å; L61-F165 HydrophobicContact CG-CD2 4.3Å; L61-F165 HydrophobicContact CG-CE2 4.35Å; L61-R168 HydrophobicContact CD1-CB 3.61Å; L61-R168 HydrophobicContact CG-CB 4.43Å; L61-R168 WeakPolarHBondContact O-CG 3.18Å; L61-L169 HydrophobicContact CD1-CB 4.49Å; L61-L172 HydrophobicContact CD1-CD1 3.83Å
62L92.4Very high91.7Very high9 Ų956.1 Ų56.15%0.04732%0.32CS..SBendtrans-127164164.8-72.1178.9000110.1G60 H66 Q67 L70 E164 F165G60-L62 CarbonylContact C-O 3.46Å; G60-L62 PolarHBondContact O-N 3.05Å; L62-H66 HydrophobicContact CB-CB 4.45Å; L62-H66 HydrophobicContact CD2-CB 4.37Å; L62-Q67 HydrophobicContact CB-CB 4.09Å; L62-Q67 HydrophobicContact CD1-CB 4.05Å; L62-L70 HydrophobicContact CD1-CD2 4.15Å; L62-E164 HydrophobicContact CD2-CG 4.16Å; L62-F165 HydrophobicContact CD1-CB 4.13Å; L62-F165 HydrophobicContact CD1-CD2 4.02Å; L62-F165 HydrophobicContact CD2-CB 4.11Å; L62-F165 HydrophobicContact CG-CB 4.31Å; L62-F165 HydrophobicContact CG-CD2 4.2Å
63T90.8Very high91.9Very high70 Ų7055.6 Ų55.643%0.42932%0.318SS..  trans-69.8147.3160.770.70000109.5R65 H66 Q67T63-R65 PolarHBondContact O-N 3.04Å; T63-H66 PolarHBondContact O-N 3.38Å; T63-H66 WeakPolarHBondContact OG1-CB 3.3Å; T63-H66 PolarHBondContact OG1-CD2 3.03Å; T63-H66 VanDerWaalsContact OG1-CG 3.32Å; T63-H66 PolarHBondContact OG1-N 3.03Å; T63-H66 VanDerWaalsContact OG1-N 3.11Å; T63-Q67 PolarHBondContact O-N 2.84Å
64L87.6Confident92Very high111 Ų11152.7 Ų52.758%0.58130%0.297SS*.Hα-helixtrans-50.8-35.2175.4-68.9170000112.4G68 V111L64-G68 PolarHBondContact O-N 2.9Å; L64-V111 HydrophobicContact CD1-CG1 3.65Å
65R90.1Very high92.1Very high135 Ų13552 Ų5251%0.50929%0.291SS..Hα-helixtrans-71.9-33.6177.8-166.8174.9-165-1537.8113.1T63 K69 D114 I117T63-R65 PolarHBondContact O-N 3.04Å; R65-K69 WeakPolarHBondContact O-CB 3.4Å; R65-K69 WeakPolarHBondContact O-CD 3.39Å; R65-K69 WeakPolarHBondContact O-CG 3.49Å; R65-K69 PolarHBondContact O-N 3.08Å; R65-D114 WeakPolarHBondContact CG-OD2 3.37Å; R65-D114 IonicContact NE-OD2 3.98Å; R65-I117 HydrophobicContact CG-CD1 4.33Å
66H93.4Very high92.3Very high56 Ų5651.8 Ų51.826%0.25929%0.29SS..Hα-helixtrans-80.2-42.8176.7-74-159.1000111.1L62 T63 K69 L70 L161 E164L62-H66 HydrophobicContact CB-CB 4.45Å; L62-H66 HydrophobicContact CD2-CB 4.37Å; T63-H66 PolarHBondContact O-N 3.38Å; T63-H66 WeakPolarHBondContact OG1-CB 3.3Å; T63-H66 PolarHBondContact OG1-CD2 3.03Å; T63-H66 VanDerWaalsContact OG1-CG 3.32Å; T63-H66 PolarHBondContact OG1-N 3.03Å; T63-H66 VanDerWaalsContact OG1-N 3.11Å; H66-K69 PolarHBondContact O-N 3.25Å; H66-L70 WeakPolarHBondContact O-CB 3.28Å; H66-L70 PolarHBondContact O-N 3.42Å; H66-L161 HydrophobicContact CB-CD2 3.86Å; H66-E164 IonicContact CE1-OE2 2.72Å; H66-E164 PolarHBondContact CE1-OE2 3.24Å; H66-E164 IonicContact CG-OE2 3.43Å; H66-E164 IonicContact ND1-OE2 2.7Å; H66-E164 PolarHBondContact ND1-OE2 3.48Å
67Q92.2Very high92.5Very high40 Ų4046.1 Ų46.119%0.18726%0.262CS..Hα-helixtrans-56.5-54171.4-175.5-174-4.800110.6C55 L62 T63 K69 L70 V71C55-Q67 VanDerWaalsContact CB-CD 3.46Å; C55-Q67 HydrophobicContact CB-CG 4.19Å; L62-Q67 HydrophobicContact CB-CB 4.09Å; L62-Q67 HydrophobicContact CD1-CB 4.05Å; T63-Q67 PolarHBondContact O-N 2.84Å; Q67-K69 PolarHBondContact O-N 3.48Å; Q67-L70 PolarHBondContact O-N 3.2Å; Q67-L70 VanDerWaalsContact O-N 3.12Å; Q67-V71 HydrophobicContact CG-CG2 4.15Å; Q67-V71 WeakPolarHBondContact O-CB 3.44Å; Q67-V71 VanDerWaalsContact O-CG2 3.28Å; Q67-V71 WeakPolarHBondContact O-CG2 3.49Å; Q67-V71 PolarHBondContact O-N 3.36Å
68G90.4Very high92.6Very high18 Ų1841.3 Ų41.319%0.18623%0.233CC..Hα-helixtrans-60.2-40-179.100000113.5L64 L72L64-G68 PolarHBondContact O-N 2.9Å; G68-L72 WeakPolarHBondContact O-CB 3.44Å; G68-L72 PolarHBondContact O-N 3.37Å
69K94.2Very high92.9Very high96 Ų9638.7 Ų38.742%0.41722%0.217SC..Hα-helixtrans-61.9-46172-78.4172.1178.6-175.60112.6R65 H66 Q67 G73 L161R65-K69 WeakPolarHBondContact O-CB 3.4Å; R65-K69 WeakPolarHBondContact O-CD 3.39Å; R65-K69 WeakPolarHBondContact O-CG 3.49Å; R65-K69 PolarHBondContact O-N 3.08Å; H66-K69 PolarHBondContact O-N 3.25Å; Q67-K69 PolarHBondContact O-N 3.48Å; K69-G73 PolarHBondContact O-N 3.13Å; K69-L161 HydrophobicContact CB-CD1 3.67Å; K69-L161 HydrophobicContact CD-CD1 4.32Å
70L95.8Very high93.2Very high0 Ų033.4 Ų33.40%018%0.183CC..Hα-helixtrans-66.4-51.3-176.8179.953.6000111V51 L62 H66 Q67 G73 L74 L158 L161 L162 F165V51-L70 HydrophobicContact CG1-CD2 3.8Å; V51-L70 HydrophobicContact CG1-CG 4.24Å; V51-L70 HydrophobicContact CG2-CD2 4.01Å; L62-L70 HydrophobicContact CD1-CD2 4.15Å; H66-L70 WeakPolarHBondContact O-CB 3.28Å; H66-L70 PolarHBondContact O-N 3.42Å; Q67-L70 PolarHBondContact O-N 3.2Å; Q67-L70 VanDerWaalsContact O-N 3.12Å; L70-G73 PolarHBondContact O-N 3.29Å; L70-L74 HydrophobicContact CD1-CD1 3.78Å; L70-L74 HydrophobicContact CD1-CG 4.04Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 VanDerWaalsContact O-CG 3.22Å; L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 2.95Å; L70-L158 HydrophobicContact CD1-CD2 3.89Å; L70-L161 HydrophobicContact CB-CB 4.11Å; L70-L161 HydrophobicContact CB-CD1 4.45Å; L70-L161 HydrophobicContact CD1-CB 3.99Å; L70-L161 HydrophobicContact CD2-CB 4.37Å; L70-L161 HydrophobicContact CG-CB 4.38Å; L70-L162 HydrophobicContact CD1-CB 4.18Å; L70-L162 HydrophobicContact CD2-CD1 4.45Å; L70-F165 HydrophobicContact CD2-CB 4.21Å
71V93.9Very high93.6Very high27 Ų2731.6 Ų31.616%0.16416%0.157CC..Hα-helixtrans-56.9-51.8176.7166.90000111.3E48 V51 S52 Q67 R75E48-V71 HydrophobicContact CG-CB 4.04Å; E48-V71 HydrophobicContact CG-CG1 3.73Å; E48-V71 HydrophobicContact CG-CG2 4.08Å; V51-V71 HydrophobicContact CG1-CG2 4.19Å; S52-V71 VanDerWaalsContact OG-CG2 3.29Å; S52-V71 WeakPolarHBondContact OG-CG2 3.39Å; Q67-V71 HydrophobicContact CG-CG2 4.15Å; Q67-V71 WeakPolarHBondContact O-CB 3.44Å; Q67-V71 VanDerWaalsContact O-CG2 3.28Å; Q67-V71 WeakPolarHBondContact O-CG2 3.49Å; Q67-V71 PolarHBondContact O-N 3.36Å; V71-R75 PolarHBondContact O-N 3.43Å; V71-R75 VanDerWaalsContact O-N 3.15Å
72L94Very high93.7Very high24 Ų2431.6 Ų31.613%0.12616%0.157CC..Hα-helixtrans-61-47.2178175.758000111.5G68 R75 A76 I99 T120 V121G68-L72 WeakPolarHBondContact O-CB 3.44Å; G68-L72 PolarHBondContact O-N 3.37Å; L72-R75 PolarHBondContact O-N 3.05Å; L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.44Å; L72-I99 HydrophobicContact CD1-CD1 4.24Å; L72-I99 HydrophobicContact CD1-CG2 3.51Å; L72-T120 HydrophobicContact CD2-CG2 3.86Å; L72-V121 HydrophobicContact CD1-CG2 4.19Å; L72-V121 HydrophobicContact CD2-CG2 4.38Å
73G95.6Very high93.7Very high6 Ų631.2 Ų31.26%0.06216%0.155CC..Hα-helixtrans-66.3-41.4-17700000113.1K69 L70 R77K69-G73 PolarHBondContact O-N 3.13Å; L70-G73 PolarHBondContact O-N 3.29Å; G73-R77 VanDerWaalsContact O-CB 3.28Å; G73-R77 WeakPolarHBondContact O-CB 3.45Å; G73-R77 PolarHBondContact O-N 2.99Å
74L96.1Very high93.7Very high0 Ų032.1 Ų32.10%016%0.157CC..Hα-helixtrans-60.3-48.5175.4-73.3168.7000111.2L36 Y44 V47 E48 L70 L78 L158L36-L74 HydrophobicContact CD1-CD2 3.54Å; Y44-L74 HydrophobicContact CD1-CD2 4.48Å; Y44-L74 HydrophobicContact CD2-CD2 3.73Å; Y44-L74 HydrophobicContact CE2-CD2 4.29Å; Y44-L74 HydrophobicContact CG-CD2 3.84Å; V47-L74 HydrophobicContact CB-CD1 4.22Å; V47-L74 HydrophobicContact CB-CD2 4.37Å; V47-L74 HydrophobicContact CG1-CD1 3.78Å; V47-L74 HydrophobicContact CG1-CD2 4.12Å; E48-L74 HydrophobicContact CB-CB 4.13Å; E48-L74 HydrophobicContact CB-CD1 4.03Å; L70-L74 HydrophobicContact CD1-CD1 3.78Å; L70-L74 HydrophobicContact CD1-CG 4.04Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 VanDerWaalsContact O-CG 3.22Å; L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 2.95Å; L74-L78 PolarHBondContact O-N 2.83Å; L74-L78 VanDerWaalsContact O-N 3.13Å; L74-L158 HydrophobicContact CD2-CD2 4.42Å; L74-L158 HydrophobicContact CG-CD2 4.14Å
75R94.5Very high93.8Very high2 Ų232.5 Ų32.51%0.00815%0.154CC..Hα-helixtrans-71.6-40.4-179.9-71.8-69.8-175.9-173.6-0.1113.1G45 E48 E49 V71 L72 R77 L78 I79 H95 I99G45-R75 VanDerWaalsContact CA-CZ 3.48Å; G45-R75 PolarHBondContact O-NH2 3.23Å; E48-R75 HydrophobicContact CB-CG 4.27Å; E48-R75 HydrophobicContact CG-CG 3.9Å; E48-R75 IonicContact OE2-CZ 2.71Å; E48-R75 IonicContact OE2-NE 2.78Å; E48-R75 PolarHBondContact OE2-NE 2.69Å; E48-R75 IonicContact OE2-NH2 2.62Å; E48-R75 PolarHBondContact OE2-NH2 3.01Å; E49-R75 VanDerWaalsContact CD-NH2 3.32Å; E49-R75 VanDerWaalsContact CG-NH2 3.35Å; E49-R75 IonicContact OE1-CZ 3.48Å; E49-R75 IonicContact OE1-NH1 3.75Å; E49-R75 IonicContact OE1-NH2 3.72Å; E49-R75 PolarHBondContact OE1-NH2 3.45Å; V71-R75 PolarHBondContact O-N 3.43Å; V71-R75 VanDerWaalsContact O-N 3.15Å; L72-R75 PolarHBondContact O-N 3.05Å; R75-R77 VanDerWaalsContact C-N 3.32Å; R75-R77 PolarHBondContact O-N 3.39Å; R75-L78 PolarHBondContact O-N 3.33Å; R75-I79 WeakPolarHBondContact O-CB 3.27Å; R75-I79 VanDerWaalsContact O-CG1 3.28Å; R75-I79 WeakPolarHBondContact O-CG1 3.08Å; R75-I79 PolarHBondContact O-N 3.46Å; R75-H95 PolarHBondContact NH1-ND1 3.48Å; R75-H95 VanDerWaalsContact NH1-ND1 3.2Å; R75-I99 HydrophobicContact CB-CD1 3.66Å; R75-I99 HydrophobicContact CB-CG1 3.6Å; R75-I99 HydrophobicContact CG-CG1 4.32Å
76A95.3Very high93.7Very high4 Ų431.6 Ų31.63%0.03316%0.155CC..Hα-helixtrans-59.6-44.9174.900000111L72 L78 I79 L80 F124L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.44Å; A76-L78 PolarHBondContact O-N 3.42Å; A76-I79 PolarHBondContact O-N 2.99Å; A76-L80 WeakPolarHBondContact O-CG 3.43Å; A76-L80 PolarHBondContact O-N 3.19Å; A76-F124 HydrophobicContact CB-CD2 4.41Å; A76-F124 HydrophobicContact CB-CE1 3.95Å; A76-F124 HydrophobicContact CB-CE2 3.75Å; A76-F124 HydrophobicContact CB-CZ 3.49Å; A76-F124 VanDerWaalsContact CB-CZ 3.49Å
77R95.8Very high93.3Very high26 Ų2631.7 Ų31.710%0.09816%0.161CC..Hα-helixtrans-66.6-36.6-179.9-165.863.2-168.170.72112.8V41 Y44 G73 R75 E81 F154V41-R77 HydrophobicContact CG1-CG 4.13Å; V41-R77 WeakPolarHBondContact CG1-O 3.34Å; V41-R77 HydrophobicContact CG2-CG 4.3Å; Y44-R77 HydrophobicContact CD2-CB 4.13Å; Y44-R77 HydrophobicContact CD2-CG 4.31Å; Y44-R77 HydrophobicContact CE2-CB 4.2Å; Y44-R77 HydrophobicContact CE2-CG 3.96Å; G73-R77 VanDerWaalsContact O-CB 3.28Å; G73-R77 WeakPolarHBondContact O-CB 3.45Å; G73-R77 PolarHBondContact O-N 2.99Å; R75-R77 VanDerWaalsContact C-N 3.32Å; R75-R77 PolarHBondContact O-N 3.39Å; R77-E81 IonicContact CZ-OE2 3.95Å; R77-E81 IonicContact NH1-OE2 3.13Å; R77-E81 PolarHBondContact NH1-OE2 3.38Å; R77-E81 IonicContact NH2-OE2 2.63Å; R77-E81 PolarHBondContact NH2-OE2 3.44Å; R77-E81 WeakPolarHBondContact O-CB 3.45Å; R77-E81 PolarHBondContact O-N 2.77Å; R77-E81 VanDerWaalsContact O-N 3.13Å; R77-F154 HydrophobicContact CB-CE1 3.9Å; R77-F154 HydrophobicContact CB-CZ 4.44Å; R77-F154 HydrophobicContact CG-CE1 4.17Å
78L95.6Very high93.1Very high5 Ų533.5 Ų33.53%0.02617%0.172CC..Hα-helixtrans-62.9-48170171.264.8000112.1V41 L74 R75 A76 L80 E81 L82V41-L78 WeakPolarHBondContact O-CD1 3.18Å; L74-L78 PolarHBondContact O-N 2.83Å; L74-L78 VanDerWaalsContact O-N 3.13Å; R75-L78 PolarHBondContact O-N 3.33Å; A76-L78 PolarHBondContact O-N 3.42Å; L78-L80 PolarHBondContact O-N 3.31Å; L78-E81 WeakPolarHBondContact O-CB 3.5Å; L78-E81 PolarHBondContact O-N 2.91Å; L78-L82 HydrophobicContact CD1-CD1 4.31Å; L78-L82 HydrophobicContact CD1-CG 4.39Å; L78-L82 HydrophobicContact CG-CD1 4.28Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 3.11Å
79I95.4Very high93.1Very high0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-63.1-42.3-179-73.1165.3000111.2R75 A76 E81 L82 C83 I92 H95 L96 I99 F124 V128R75-I79 WeakPolarHBondContact O-CB 3.27Å; R75-I79 VanDerWaalsContact O-CG1 3.28Å; R75-I79 WeakPolarHBondContact O-CG1 3.08Å; R75-I79 PolarHBondContact O-N 3.46Å; A76-I79 PolarHBondContact O-N 2.99Å; I79-E81 VanDerWaalsContact C-N 3.33Å; I79-E81 PolarHBondContact O-N 2.78Å; I79-L82 WeakPolarHBondContact O-CB 3.3Å; I79-L82 PolarHBondContact O-N 3.19Å; I79-C83 PolarHBondContact O-N 3.41Å; I79-C83 PolarHBondContact O-SG 3.15Å; I79-I92 HydrophobicContact CG2-CG2 3.9Å; I79-H95 HydrophobicContact CD1-CB 3.89Å; I79-H95 HydrophobicContact CG1-CB 3.63Å; I79-L96 HydrophobicContact CD1-CD2 3.98Å; I79-L96 HydrophobicContact CD1-CG 4.14Å; I79-I99 HydrophobicContact CD1-CD1 3.51Å; I79-I99 HydrophobicContact CD1-CG1 4.26Å; I79-F124 HydrophobicContact CB-CE1 4.46Å; I79-F124 HydrophobicContact CB-CZ 4.46Å; I79-F124 HydrophobicContact CD1-CE1 4.15Å; I79-F124 HydrophobicContact CG2-CE1 4.27Å; I79-F124 HydrophobicContact CG2-CZ 4.29Å; I79-V128 HydrophobicContact CG2-CB 4.47Å; I79-V128 HydrophobicContact CG2-CG1 3.78Å; I79-V128 HydrophobicContact CG2-CG2 3.81Å
80L95.4Very high92.8Very high0 Ų038.6 Ų38.60%020%0.203CC..Hα-helixtrans-67.3-33.9175.9-63.6175.4000112.3A76 L78 L82 C83 L84 F124 F127 L131 F141 F142 F146 Y150A76-L80 WeakPolarHBondContact O-CG 3.43Å; A76-L80 PolarHBondContact O-N 3.19Å; L78-L80 PolarHBondContact O-N 3.31Å; L80-L82 VanDerWaalsContact C-N 3.32Å; L80-C83 PolarHBondContact O-N 2.85Å; L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 PolarHBondContact O-N 2.84Å; L80-F124 HydrophobicContact CD1-CE2 4.39Å; L80-F124 HydrophobicContact CD2-CE2 4.43Å; L80-F124 HydrophobicContact CD2-CZ 4.44Å; L80-F124 HydrophobicContact CG-CE2 4.39Å; L80-F124 HydrophobicContact CG-CZ 4.29Å; L80-F127 HydrophobicContact CD2-CE1 4.07Å; L80-L131 HydrophobicContact CD2-CD1 3.61Å; L80-F141 HydrophobicContact CD1-CE1 4.48Å; L80-F141 HydrophobicContact CD1-CZ 4.26Å; L80-F141 HydrophobicContact CD2-CE1 4.03Å; L80-F141 HydrophobicContact CD2-CZ 4.42Å; L80-F142 HydrophobicContact CB-CE1 4.33Å; L80-F142 HydrophobicContact CB-CZ 4.4Å; L80-F142 WeakPolarHBondContact O-CZ 3.26Å; L80-F146 HydrophobicContact CB-CE2 3.9Å; L80-F146 HydrophobicContact CD1-CD2 4.25Å; L80-F146 HydrophobicContact CD1-CE2 4.15Å; L80-Y150 HydrophobicContact CD1-CD1 3.56Å; L80-Y150 HydrophobicContact CD1-CD2 3.79Å; L80-Y150 HydrophobicContact CD1-CE1 3.51Å; L80-Y150 HydrophobicContact CD1-CE2 3.75Å; L80-Y150 HydrophobicContact CD1-CG 3.69Å
81E95Very high92.5Very high25 Ų2541 Ų4112%0.11722%0.217CC..Hα-helixtrans-66.6-34.3173.2-161.774.4-165.200112.1V41 M42 R77 L78 I79 K85V41-E81 HydrophobicContact CB-CB 4.38Å; V41-E81 HydrophobicContact CB-CG 4.09Å; V41-E81 HydrophobicContact CG1-CB 3.58Å; V41-E81 HydrophobicContact CG1-CG 3.85Å; M42-E81 HydrophobicContact SD-CG 4.29Å; R77-E81 IonicContact CZ-OE2 3.95Å; R77-E81 IonicContact NH1-OE2 3.13Å; R77-E81 PolarHBondContact NH1-OE2 3.38Å; R77-E81 IonicContact NH2-OE2 2.63Å; R77-E81 PolarHBondContact NH2-OE2 3.44Å; R77-E81 WeakPolarHBondContact O-CB 3.45Å; R77-E81 PolarHBondContact O-N 2.77Å; R77-E81 VanDerWaalsContact O-N 3.13Å; L78-E81 WeakPolarHBondContact O-CB 3.5Å; L78-E81 PolarHBondContact O-N 2.91Å; I79-E81 VanDerWaalsContact C-N 3.33Å; I79-E81 PolarHBondContact O-N 2.78Å; E81-K85 HydrophobicContact CG-CD 4.3Å; E81-K85 WeakPolarHBondContact O-CB 3.29Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-K85 PolarHBondContact O-N 2.69Å; E81-K85 WeakPolarHBondContact OE1-CE 3.45Å; E81-K85 IonicContact OE1-NZ 3.66Å; E81-K85 PolarHBondContact OE1-NZ 2.92Å
82L94.1Very high92.3Very high10 Ų1039.8 Ų39.85%0.05221%0.21CC..Hα-helixtrans-68.3-49.6170.3-68.4169000110.9M42 L78 I79 L80 L84 K85 Q86 V91 I92M42-L82 HydrophobicContact CE-CD2 4Å; L78-L82 HydrophobicContact CD1-CD1 4.31Å; L78-L82 HydrophobicContact CD1-CG 4.39Å; L78-L82 HydrophobicContact CG-CD1 4.28Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 3.11Å; I79-L82 WeakPolarHBondContact O-CB 3.3Å; I79-L82 PolarHBondContact O-N 3.19Å; L80-L82 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 3.44Å; L82-K85 PolarHBondContact O-N 3.21Å; L82-Q86 CarbonylContact O-C 3.39Å; L82-Q86 WeakPolarHBondContact O-CA 3.37Å; L82-Q86 PolarHBondContact O-N 3.29Å; L82-Q86 VanDerWaalsContact O-O 3.04Å; L82-V91 HydrophobicContact CD1-CG1 4.37Å; L82-V91 HydrophobicContact CD2-CG1 4.1Å; L82-I92 HydrophobicContact CB-CD1 3.92Å; L82-I92 HydrophobicContact CB-CG1 3.71Å; L82-I92 HydrophobicContact CD1-CG1 4.16Å
83C93.3Very high92Very high1 Ų140.3 Ų40.31%0.00722%0.218CC..Hα-helixtrans-54.5-27.8175.1-68.40000113.5I79 L80 F142I79-C83 PolarHBondContact O-N 3.41Å; I79-C83 PolarHBondContact O-SG 3.15Å; L80-C83 PolarHBondContact O-N 2.85Å; C83-F142 HydrophobicContact CB-CE2 4.03Å; C83-F142 HydrophobicContact CB-CZ 3.86Å
84L90.5Very high91.6Very high89 Ų8943 Ų4347%0.46623%0.234SC..Hα-helixtrans-82.6-35.2176.2-177.460.5000113.7L80 L82 F142L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 PolarHBondContact O-N 2.84Å; L82-L84 PolarHBondContact O-N 3.44Å; L84-F142 HydrophobicContact CB-CD1 4.35Å; L84-F142 HydrophobicContact CB-CE1 3.95Å; L84-F142 HydrophobicContact CB-CE2 4.16Å; L84-F142 HydrophobicContact CB-CZ 3.87Å; L84-F142 HydrophobicContact CD1-CB 4.25Å; L84-F142 HydrophobicContact CD1-CD1 4.11Å; L84-F142 HydrophobicContact CD1-CD2 4.06Å; L84-F142 HydrophobicContact CD1-CE2 4.48Å; L84-F142 HydrophobicContact CD1-CG 3.88Å; L84-F142 HydrophobicContact CD2-CD1 4.41Å
85K90Very high91.2Very high119 Ų11944.8 Ų44.852%0.51724%0.242SC..Hα-helixtrans-103.5-36.7-171.5-70.1175.5-178.9164.40114.5E81 L82E81-K85 HydrophobicContact CG-CD 4.3Å; E81-K85 WeakPolarHBondContact O-CB 3.29Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-K85 PolarHBondContact O-N 2.69Å; E81-K85 WeakPolarHBondContact OE1-CE 3.45Å; E81-K85 IonicContact OE1-NZ 3.66Å; E81-K85 PolarHBondContact OE1-NZ 2.92Å; L82-K85 PolarHBondContact O-N 3.21Å
86Q87.3Confident90.8Very high115 Ų11545.3 Ų45.354%0.53725%0.245SC..  trans-149.777.2-174.4-66.3179.142.500108L82 D88L82-Q86 CarbonylContact O-C 3.39Å; L82-Q86 WeakPolarHBondContact O-CA 3.37Å; L82-Q86 PolarHBondContact O-N 3.29Å; L82-Q86 VanDerWaalsContact O-O 3.04Å; Q86-D88 PolarHBondContact O-N 2.8Å
87P84.5Confident90.3Very high58 Ų5850.1 Ų50.138%0.37727%0.267SS..  trans-73.554.8179.831.7-36.2000112.2L132P87-L132 HydrophobicContact CB-CD2 4.16Å
88D88.7Confident89.6Confident78 Ų7853.8 Ų53.842%0.41728%0.281SS..  trans-96.4124.5178.4-174.6-13.6000109.7Q86 D90 V91 I92Q86-D88 PolarHBondContact O-N 2.8Å; D88-D90 VanDerWaalsContact C-N 3.3Å; D88-D90 PolarHBondContact O-N 2.71Å; D88-D90 PolarHBondContact OD1-N 3.45Å; D88-V91 HydrophobicContact CB-CB 4.1Å; D88-V91 HydrophobicContact CB-CG2 3.86Å; D88-V91 PolarHBondContact O-N 3.5Å; D88-I92 WeakPolarHBondContact O-CB 3.16Å; D88-I92 WeakPolarHBondContact O-CG1 3.41Å; D88-I92 PolarHBondContact O-N 3.33Å
89V89.4Confident88.6Confident85 Ų8553.9 Ų53.952%0.51528%0.281SS..Hα-helixtrans-62.1-38.3-179.3-1760000111V91 I92 A93 L132V89-V91 VanDerWaalsContact C-N 3.3Å; V89-V91 PolarHBondContact O-N 2.81Å; V89-I92 PolarHBondContact O-N 2.94Å; V89-A93 VanDerWaalsContact O-CB 3.22Å; V89-A93 WeakPolarHBondContact O-CB 3.34Å; V89-A93 PolarHBondContact O-N 3.2Å; V89-L132 HydrophobicContact CG2-CD1 4.46Å
90D88.3Confident87.2Confident137 Ų13761.3 Ų61.373%0.73331%0.309SS*.Hα-helixtrans-71.6-27.1-178-73.4-17.3000112D88 P94D88-D90 VanDerWaalsContact C-N 3.3Å; D88-D90 PolarHBondContact O-N 2.71Å; D88-D90 PolarHBondContact OD1-N 3.45Å; D90-P94 WeakPolarHBondContact O-CD 3.5Å; D90-P94 WeakPolarHBondContact O-CG 3.43Å
91V89.3Confident85.3Confident51 Ų5163.1 Ų63.131%0.30932%0.32SS..Hα-helixtrans-80.1-35.7174.2179.10000111.5L82 D88 V89 H95L82-V91 HydrophobicContact CD1-CG1 4.37Å; L82-V91 HydrophobicContact CD2-CG1 4.1Å; D88-V91 HydrophobicContact CB-CB 4.1Å; D88-V91 HydrophobicContact CB-CG2 3.86Å; D88-V91 PolarHBondContact O-N 3.5Å; V89-V91 VanDerWaalsContact C-N 3.3Å; V89-V91 PolarHBondContact O-N 2.81Å; V91-H95 PolarHBondContact O-CD2 2.95Å
92I89.9Confident83Confident0 Ų067 Ų670%035%0.348CS..Hα-helixtrans-89.7-33.9-171.8-69.8164.4000112.7I79 L82 D88 V89 H95 L96 V128 L132I79-I92 HydrophobicContact CG2-CG2 3.9Å; L82-I92 HydrophobicContact CB-CD1 3.92Å; L82-I92 HydrophobicContact CB-CG1 3.71Å; L82-I92 HydrophobicContact CD1-CG1 4.16Å; D88-I92 WeakPolarHBondContact O-CB 3.16Å; D88-I92 WeakPolarHBondContact O-CG1 3.41Å; D88-I92 PolarHBondContact O-N 3.33Å; V89-I92 PolarHBondContact O-N 2.94Å; I92-H95 PolarHBondContact O-N 3.39Å; I92-L96 HydrophobicContact CG2-CD1 4Å; I92-L96 HydrophobicContact CG2-CG 4.17Å; I92-L96 PolarHBondContact O-N 2.98Å; I92-V128 HydrophobicContact CG2-CG1 4.08Å; I92-L132 HydrophobicContact CD1-CD2 3.78Å; I92-L132 HydrophobicContact CG2-CD1 4.12Å
93A87.3Confident80.5Confident36 Ų3670.4 Ų70.430%0.29838%0.377SS..Hα-helixtrans-56-43.3179.300000113.6V89 H95 L96 E97V89-A93 VanDerWaalsContact O-CB 3.22Å; V89-A93 WeakPolarHBondContact O-CB 3.34Å; V89-A93 PolarHBondContact O-N 3.2Å; A93-H95 PolarHBondContact O-N 3.42Å; A93-H95 VanDerWaalsContact O-N 3.16Å; A93-L96 PolarHBondContact O-N 2.99Å; A93-E97 WeakPolarHBondContact O-CB 3.46Å; A93-E97 PolarHBondContact O-N 3.25Å
94P88.5Confident78.1Confident62 Ų6275 Ų7540%0.40341%0.407SS..Hα-helixtrans-62.4-21174.7-24.435.5000114.7D90 R98D90-P94 WeakPolarHBondContact O-CD 3.5Å; D90-P94 WeakPolarHBondContact O-CG 3.43Å; P94-R98 PolarHBondContact O-NH1 3.17Å
95H87.7Confident75.7Confident37 Ų3778.4 Ų78.417%0.17143%0.425CS..Hα-helixtrans-87.6-40.6174.9-70.2-59.1000111.9R75 I79 V91 I92 A93 E97 R98 I99R75-H95 PolarHBondContact NH1-ND1 3.48Å; R75-H95 VanDerWaalsContact NH1-ND1 3.2Å; I79-H95 HydrophobicContact CD1-CB 3.89Å; I79-H95 HydrophobicContact CG1-CB 3.63Å; V91-H95 PolarHBondContact O-CD2 2.95Å; I92-H95 PolarHBondContact O-N 3.39Å; A93-H95 PolarHBondContact O-N 3.42Å; A93-H95 VanDerWaalsContact O-N 3.16Å; H95-E97 VanDerWaalsContact C-N 3.28Å; H95-E97 PolarHBondContact O-N 2.88Å; H95-R98 PolarHBondContact ND1-NH1 3.48Å; H95-R98 PolarHBondContact O-N 2.95Å; H95-I99 PolarHBondContact O-N 2.86Å
96L84.8Confident73.5Confident14 Ų1479.2 Ų79.27%0.07345%0.445CS..Hα-helixtrans-57.2-42.8168.6-76.3170.9000111.3I79 I92 A93 R98 I99 F124 H125 V128I79-L96 HydrophobicContact CD1-CD2 3.98Å; I79-L96 HydrophobicContact CD1-CG 4.14Å; I92-L96 HydrophobicContact CG2-CD1 4Å; I92-L96 HydrophobicContact CG2-CG 4.17Å; I92-L96 PolarHBondContact O-N 2.98Å; A93-L96 PolarHBondContact O-N 2.99Å; L96-R98 PolarHBondContact O-N 3.2Å; L96-I99 CarbonylContact O-C 3.03Å; L96-I99 WeakPolarHBondContact O-CA 3.25Å; L96-I99 WeakPolarHBondContact O-CB 3.33Å; L96-I99 PolarHBondContact O-N 3.22Å; L96-F124 HydrophobicContact CD2-CD1 4.44Å; L96-F124 HydrophobicContact CD2-CE1 4.34Å; L96-H125 PolarHBondContact O-CE1 3.14Å; L96-H125 PolarHBondContact O-NE2 2.89Å; L96-V128 HydrophobicContact CD1-CB 4.44Å; L96-V128 HydrophobicContact CD1-CG1 3.9Å; L96-V128 HydrophobicContact CD2-CB 4.04Å; L96-V128 HydrophobicContact CD2-CG1 4.1Å; L96-V128 HydrophobicContact CD2-CG2 4.23Å; L96-V128 HydrophobicContact CG-CG1 4.35Å
97E84.6Confident71.3Confident104 Ų10478.6 Ų78.649%0.48645%0.454SS..THydrogen-bonded Turntrans-61.8-22.4177.4-88.6-152.7-133.200114.8A93 H95 R100A93-E97 WeakPolarHBondContact O-CB 3.46Å; A93-E97 PolarHBondContact O-N 3.25Å; H95-E97 VanDerWaalsContact C-N 3.28Å; H95-E97 PolarHBondContact O-N 2.88Å; E97-R100 WeakPolarHBondContact O-CD 3.17Å; E97-R100 VanDerWaalsContact O-CG 3.3Å; E97-R100 WeakPolarHBondContact O-CG 3.13Å; E97-R100 PolarHBondContact O-NE 3.48Å; E97-R100 PolarHBondContact O-NH1 2.62Å; E97-R100 IonicContact OE2-CZ 3.18Å; E97-R100 IonicContact OE2-NH1 2.78Å; E97-R100 PolarHBondContact OE2-NH1 3.07Å; E97-R100 IonicContact OE2-NH2 2.69Å; E97-R100 PolarHBondContact OE2-NH2 3.3Å
98R81.2Confident69.1Low103 Ų10380.2 Ų80.239%0.38948%0.481SS..THydrogen-bonded Turntrans-81.7-26170.7-69.1-177.8-174.789.9-30.6112.4E49 P94 H95 L96 R100E49-R98 IonicContact OE1-CZ 3.28Å; E49-R98 VanDerWaalsContact OE1-CZ 3.28Å; E49-R98 IonicContact OE1-NE 2.94Å; E49-R98 PolarHBondContact OE1-NE 3.22Å; E49-R98 IonicContact OE1-NH2 2.8Å; E49-R98 PolarHBondContact OE1-NH2 3.13Å; P94-R98 PolarHBondContact O-NH1 3.17Å; H95-R98 PolarHBondContact ND1-NH1 3.48Å; H95-R98 PolarHBondContact O-N 2.95Å; L96-R98 PolarHBondContact O-N 3.2Å; R98-R100 PolarHBondContact O-N 3.47Å
99I75.3Confident66.9Low7 Ų780.8 Ų80.84%0.03649%0.491CS..SBendtrans-77.169.5169.4-48.5-177.7000109L72 R75 I79 H95 L96 V121 F124 H125L72-I99 HydrophobicContact CD1-CD1 4.24Å; L72-I99 HydrophobicContact CD1-CG2 3.51Å; R75-I99 HydrophobicContact CB-CD1 3.66Å; R75-I99 HydrophobicContact CB-CG1 3.6Å; R75-I99 HydrophobicContact CG-CG1 4.32Å; I79-I99 HydrophobicContact CD1-CD1 3.51Å; I79-I99 HydrophobicContact CD1-CG1 4.26Å; H95-I99 PolarHBondContact O-N 2.86Å; L96-I99 CarbonylContact O-C 3.03Å; L96-I99 WeakPolarHBondContact O-CA 3.25Å; L96-I99 WeakPolarHBondContact O-CB 3.33Å; L96-I99 PolarHBondContact O-N 3.22Å; I99-V121 HydrophobicContact CG2-CB 4.34Å; I99-V121 HydrophobicContact CG2-CG1 3.88Å; I99-V121 HydrophobicContact CG2-CG2 3.78Å; I99-V121 WeakPolarHBondContact O-CG1 3.34Å; I99-F124 HydrophobicContact CD1-CD1 3.98Å; I99-F124 HydrophobicContact CD1-CE1 3.83Å; I99-H125 PolarHBondContact O-NE2 3.06Å
100R65.7Low64.7Low156 Ų15681.2 Ų81.259%0.58950%0.504SS*.  trans-105.6145.3169.5-78.4171.1170.4124.6-7.1109.3E97 R98E97-R100 WeakPolarHBondContact O-CD 3.17Å; E97-R100 VanDerWaalsContact O-CG 3.3Å; E97-R100 WeakPolarHBondContact O-CG 3.13Å; E97-R100 PolarHBondContact O-NE 3.48Å; E97-R100 PolarHBondContact O-NH1 2.62Å; E97-R100 IonicContact OE2-CZ 3.18Å; E97-R100 IonicContact OE2-NH1 2.78Å; E97-R100 PolarHBondContact OE2-NH1 3.07Å; E97-R100 IonicContact OE2-NH2 2.69Å; E97-R100 PolarHBondContact OE2-NH2 3.3Å; R98-R100 PolarHBondContact O-N 3.47Å
101V56.2Low63.1Low39 Ų3979 Ų7924%0.23650%0.495CS..PPolyproline II helixtrans-58.4131.8162.9-175.60000107.2A103 K113 Q118 V121V101-A103 PolarHBondContact O-N 3.35Å; V101-K113 HydrophobicContact CG1-CD 4.38Å; V101-Q118 HydrophobicContact CG1-CB 4.28Å; V101-Q118 HydrophobicContact CG2-CB 3.84Å; V101-Q118 HydrophobicContact CG2-CG 3.7Å; V101-V121 HydrophobicContact CG2-CB 4.49Å; V101-V121 HydrophobicContact CG2-CG1 4.4Å
102P47.3Very low61.6Low106 Ų10686 Ų8669%0.68852%0.521SS*.PPolyproline II helixtrans-51.4116.3176.7-29.736.2000110.8
103A41.1Very low60.3Low82 Ų8290.8 Ų90.868%0.67854%0.542SS*.PPolyproline II helixtrans-61.4134.9170.100000107.4V101 L105V101-A103 PolarHBondContact O-N 3.35Å; A103-L105 PolarHBondContact O-N 3.43Å
104P42.1Very low59.9Low98 Ų9891.5 Ų91.564%0.63654%0.541SS*.  trans-64.4107.7179.826.6-32.7000108.8S106P104-S106 PolarHBondContact O-N 3.01Å
105L41.4Very low59.7Low159 Ų15992.8 Ų92.883%0.83255%0.547SS*.  trans-56.1127.4166-67.2173.8000107.6A103 S107A103-L105 PolarHBondContact O-N 3.43Å; L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3.43Å
106S43.8Very low59.6Low136 Ų13698 Ų9895%0.95157%0.57SS**SBendtrans-67.686-172.3-61.20000112.3P104P104-S106 PolarHBondContact O-N 3.01Å
107S39.7Very low59.7Low103 Ų10398.8 Ų98.872%0.7257%0.574SS**SBendtrans-144.4141.6167.8-173.70000108.8L105 S109L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3.43Å; S107-S109 PolarHBondContact O-N 2.99Å
108G38.9Very low59.8Low92 Ų9296.6 Ų96.695%0.94856%0.563SS**SBendtrans-70.722.7-159.200000117.9
109S41.6Very low60.1Low89 Ų8999.3 Ų99.362%0.62257%0.573SS**  trans-95.3127.7174.1-174.80000110.8S107 V111S107-S109 PolarHBondContact O-N 2.99Å; S109-V111 PolarHBondContact O-N 3.13Å
110A43.2Very low60.8Low95 Ų95102.1 Ų102.179%0.78559%0.591SS**  trans-73.770.9173.900000110.9K112A110-K112 PolarHBondContact O-N 3.47Å
111V55.7Low61.9Low90 Ų9095.1 Ų95.155%0.54557%0.566SS.*  trans-60.7102.4172.6-179.30000108.1L64 S109 K113L64-V111 HydrophobicContact CD1-CG1 3.65Å; S109-V111 PolarHBondContact O-N 3.13Å; V111-K113 PolarHBondContact O-N 3.41Å
112K57.1Low63.6Low198 Ų19897.8 Ų97.886%0.86158%0.576SS**  trans-58.8102.6176-65.7-179.1179.6-179.70108.3A110 D114A110-K112 PolarHBondContact O-N 3.47Å; K112-D114 PolarHBondContact O-N 3.14Å
113K64.1Low65.7Low101 Ų10196.1 Ų96.144%0.43957%0.566SS.*  trans-54.7132.1174.5-67.5-175.6176.6-176.50108.6V101 V111 V115V101-K113 HydrophobicContact CG1-CD 4.38Å; V111-K113 PolarHBondContact O-N 3.41Å; K113-V115 VanDerWaalsContact C-N 3.34Å; K113-V115 PolarHBondContact O-N 3.01Å
114D77.7Confident68.2Low50 Ų5092.8 Ų92.827%0.26754%0.537SS..  trans-69.896.9173.6-173.3-38.1000108.1R65 K112 K116 I117 Q118R65-D114 WeakPolarHBondContact CG-OD2 3.37Å; R65-D114 IonicContact NE-OD2 3.98Å; K112-D114 PolarHBondContact O-N 3.14Å; D114-K116 PolarHBondContact O-N 2.94Å; D114-K116 WeakPolarHBondContact OD1-CA 3.26Å; D114-K116 VanDerWaalsContact OD1-CB 3.31Å; D114-K116 WeakPolarHBondContact OD1-CB 3.34Å; D114-K116 PolarHBondContact OD1-N 3.26Å; D114-I117 HydrophobicContact CB-CB 4.07Å; D114-I117 HydrophobicContact CB-CD1 3.99Å; D114-I117 HydrophobicContact CB-CG1 4.07Å; D114-I117 PolarHBondContact O-N 2.96Å; D114-I117 VanDerWaalsContact O-N 3.07Å; D114-I117 PolarHBondContact OD1-N 2.8Å; D114-Q118 PolarHBondContact O-N 3.46Å
115V84.2Confident70.6Confident89 Ų8990.4 Ų90.454%0.53952%0.517SS..Hα-helixtrans-58.5-28.3-177.8-178.60000111.4K113 R119K113-V115 VanDerWaalsContact C-N 3.34Å; K113-V115 PolarHBondContact O-N 3.01Å; V115-R119 VanDerWaalsContact O-CB 3.31Å; V115-R119 WeakPolarHBondContact O-CB 3.35Å; V115-R119 PolarHBondContact O-N 2.89Å
116K86.3Confident73.1Confident148 Ų14887 Ų8764%0.64350%0.503SS*.Hα-helixtrans-71.9-46175.9-173.1167.2-176.81650110.4D114 R119 T120D114-K116 PolarHBondContact O-N 2.94Å; D114-K116 WeakPolarHBondContact OD1-CA 3.26Å; D114-K116 VanDerWaalsContact OD1-CB 3.31Å; D114-K116 WeakPolarHBondContact OD1-CB 3.34Å; D114-K116 PolarHBondContact OD1-N 3.26Å; K116-R119 PolarHBondContact O-N 2.65Å; K116-T120 PolarHBondContact O-N 2.75Å; K116-T120 PolarHBondContact O-OG1 3.48Å
117I86.2Confident75.5Confident30 Ų3083.5 Ų83.515%0.15447%0.47CS..Hα-helixtrans-62.4-44.8175.4-64.9177.2000110.7R65 D114 R119 T120 V121R65-I117 HydrophobicContact CG-CD1 4.33Å; D114-I117 HydrophobicContact CB-CB 4.07Å; D114-I117 HydrophobicContact CB-CD1 3.99Å; D114-I117 HydrophobicContact CB-CG1 4.07Å; D114-I117 PolarHBondContact O-N 2.96Å; D114-I117 VanDerWaalsContact O-N 3.07Å; D114-I117 PolarHBondContact OD1-N 2.8Å; I117-R119 PolarHBondContact O-N 3.31Å; I117-T120 PolarHBondContact O-N 2.75Å; I117-V121 WeakPolarHBondContact O-CG2 3.39Å; I117-V121 PolarHBondContact O-N 3.42Å
118Q86.3Confident78Confident57 Ų5778.6 Ų78.627%0.26644%0.436SS..Hα-helixtrans-57-50.3175.7167.1157.90.500111.9V101 D114 T120 V121 E122V101-Q118 HydrophobicContact CG1-CB 4.28Å; V101-Q118 HydrophobicContact CG2-CB 3.84Å; V101-Q118 HydrophobicContact CG2-CG 3.7Å; D114-Q118 PolarHBondContact O-N 3.46Å; Q118-T120 VanDerWaalsContact C-N 3.31Å; Q118-T120 PolarHBondContact O-N 3.32Å; Q118-V121 WeakPolarHBondContact O-CB 3.4Å; Q118-V121 PolarHBondContact O-N 2.99Å; Q118-V121 VanDerWaalsContact O-N 3.15Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.29Å; Q118-E122 PolarHBondContact NE2-OE1 2.68Å; Q118-E122 WeakPolarHBondContact O-CG 3.24Å; Q118-E122 PolarHBondContact O-N 2.93Å
119R87.8Confident80.6Confident160 Ų16079.4 Ų79.460%0.60442%0.415SS*.Hα-helixtrans-61.8-37.1177.8-170.9-177.8-61.3161.11.6112.5V115 K116 I117 S123V115-R119 VanDerWaalsContact O-CB 3.31Å; V115-R119 WeakPolarHBondContact O-CB 3.35Å; V115-R119 PolarHBondContact O-N 2.89Å; K116-R119 PolarHBondContact O-N 2.65Å; I117-R119 PolarHBondContact O-N 3.31Å; R119-S123 WeakPolarHBondContact O-CB 3.15Å; R119-S123 PolarHBondContact O-N 3.03Å; R119-S123 PolarHBondContact O-OG 2.99Å
120T90.4Very high83Confident66 Ų6677.5 Ų77.541%0.40540%0.4SS..Hα-helixtrans-67.2-38.8175.4-57.60000111.8L72 K116 I117 Q118 F124L72-T120 HydrophobicContact CD2-CG2 3.86Å; K116-T120 PolarHBondContact O-N 2.75Å; K116-T120 PolarHBondContact O-OG1 3.48Å; I117-T120 PolarHBondContact O-N 2.75Å; Q118-T120 VanDerWaalsContact C-N 3.31Å; Q118-T120 PolarHBondContact O-N 3.32Å; T120-F124 VanDerWaalsContact O-CB 3.25Å; T120-F124 WeakPolarHBondContact O-CB 3.39Å; T120-F124 PolarHBondContact O-N 2.87Å
121V89.6Confident85.4Confident10 Ų1073 Ų736%0.06136%0.363CS..Hα-helixtrans-59.3-53.6172.4168.40000110.4L72 I99 V101 I117 Q118 S123 F124 H125L72-V121 HydrophobicContact CD1-CG2 4.19Å; L72-V121 HydrophobicContact CD2-CG2 4.38Å; I99-V121 HydrophobicContact CG2-CB 4.34Å; I99-V121 HydrophobicContact CG2-CG1 3.88Å; I99-V121 HydrophobicContact CG2-CG2 3.78Å; I99-V121 WeakPolarHBondContact O-CG1 3.34Å; V101-V121 HydrophobicContact CG2-CB 4.49Å; V101-V121 HydrophobicContact CG2-CG1 4.4Å; I117-V121 WeakPolarHBondContact O-CG2 3.39Å; I117-V121 PolarHBondContact O-N 3.42Å; Q118-V121 WeakPolarHBondContact O-CB 3.4Å; Q118-V121 PolarHBondContact O-N 2.99Å; Q118-V121 VanDerWaalsContact O-N 3.15Å; V121-S123 VanDerWaalsContact C-N 3.32Å; V121-S123 PolarHBondContact O-N 2.99Å; V121-F124 PolarHBondContact O-N 3.11Å; V121-F124 VanDerWaalsContact O-N 3.11Å; V121-H125 PolarHBondContact O-CD2 3.44Å; V121-H125 VanDerWaalsContact O-CD2 3.29Å; V121-H125 PolarHBondContact O-N 3.36Å
122E90.2Very high87.1Confident95 Ų9570.5 Ų70.544%0.44435%0.346SS..Hα-helixtrans-57.5-44.1-179.9-68.9160.2176.600111.8Q118 H125 V126Q118-E122 WeakPolarHBondContact CG-OE1 3.29Å; Q118-E122 PolarHBondContact NE2-OE1 2.68Å; Q118-E122 WeakPolarHBondContact O-CG 3.24Å; Q118-E122 PolarHBondContact O-N 2.93Å; E122-H125 PolarHBondContact O-N 3.36Å; E122-V126 PolarHBondContact O-N 3.47Å
123S92.3Very high88.9Confident70 Ų7067 Ų6749%0.4934%0.341SS..Hα-helixtrans-65.3-38176.6-530000112.5R119 V121 F127R119-S123 WeakPolarHBondContact O-CB 3.15Å; R119-S123 PolarHBondContact O-N 3.03Å; R119-S123 PolarHBondContact O-OG 2.99Å; V121-S123 VanDerWaalsContact C-N 3.32Å; V121-S123 PolarHBondContact O-N 2.99Å; S123-F127 WeakPolarHBondContact O-CB 3.36Å; S123-F127 PolarHBondContact O-N 3.46Å
124F94.2Very high90.3Very high13 Ų1365 Ų656%0.05734%0.335CS..Hα-helixtrans-70.9-35.2179.9-173.3-99.1000112.3A76 I79 L80 L96 I99 T120 V121 F127 V128A76-F124 HydrophobicContact CB-CD2 4.41Å; A76-F124 HydrophobicContact CB-CE1 3.95Å; A76-F124 HydrophobicContact CB-CE2 3.75Å; A76-F124 HydrophobicContact CB-CZ 3.49Å; A76-F124 VanDerWaalsContact CB-CZ 3.49Å; I79-F124 HydrophobicContact CB-CE1 4.46Å; I79-F124 HydrophobicContact CB-CZ 4.46Å; I79-F124 HydrophobicContact CD1-CE1 4.15Å; I79-F124 HydrophobicContact CG2-CE1 4.27Å; I79-F124 HydrophobicContact CG2-CZ 4.29Å; L80-F124 HydrophobicContact CD1-CE2 4.39Å; L80-F124 HydrophobicContact CD2-CE2 4.43Å; L80-F124 HydrophobicContact CD2-CZ 4.44Å; L80-F124 HydrophobicContact CG-CE2 4.39Å; L80-F124 HydrophobicContact CG-CZ 4.29Å; L96-F124 HydrophobicContact CD2-CD1 4.44Å; L96-F124 HydrophobicContact CD2-CE1 4.34Å; I99-F124 HydrophobicContact CD1-CD1 3.98Å; I99-F124 HydrophobicContact CD1-CE1 3.83Å; T120-F124 VanDerWaalsContact O-CB 3.25Å; T120-F124 WeakPolarHBondContact O-CB 3.39Å; T120-F124 PolarHBondContact O-N 2.87Å; V121-F124 PolarHBondContact O-N 3.11Å; V121-F124 VanDerWaalsContact O-N 3.11Å; F124-F127 HydrophobicContact CD2-CD1 4.18Å; F124-F127 HydrophobicContact CE2-CD1 4.24Å; F124-F127 PolarHBondContact O-N 3.06Å; F124-V128 HydrophobicContact CD1-CG2 4.04Å; F124-V128 HydrophobicContact CD2-CG2 4.46Å; F124-V128 HydrophobicContact CE1-CG2 3.54Å; F124-V128 HydrophobicContact CE2-CG2 4.01Å; F124-V128 HydrophobicContact CG-CG2 4.47Å; F124-V128 HydrophobicContact CZ-CG2 3.51Å; F124-V128 WeakPolarHBondContact O-CG2 3.33Å; F124-V128 PolarHBondContact O-N 3.49Å
125H92.1Very high91Very high47 Ų4768.1 Ų68.122%0.21835%0.348CS..Hα-helixtrans-59.3-49.7172.1-87.1-87.7000111.7L96 I99 V121 E122 F127 V128 Q129L96-H125 PolarHBondContact O-CE1 3.14Å; L96-H125 PolarHBondContact O-NE2 2.89Å; I99-H125 PolarHBondContact O-NE2 3.06Å; V121-H125 PolarHBondContact O-CD2 3.44Å; V121-H125 VanDerWaalsContact O-CD2 3.29Å; V121-H125 PolarHBondContact O-N 3.36Å; E122-H125 PolarHBondContact O-N 3.36Å; H125-F127 PolarHBondContact O-N 2.71Å; H125-V128 PolarHBondContact O-N 2.91Å; H125-Q129 WeakPolarHBondContact O-CG 3.35Å; H125-Q129 PolarHBondContact O-N 2.8Å
126V93Very high91.4Very high89 Ų8967 Ų6754%0.53935%0.348SS..Hα-helixtrans-61.3-45.8176.5177.30000110.8E122 V128 Q129 T130E122-V126 PolarHBondContact O-N 3.47Å; V126-V128 PolarHBondContact O-N 2.96Å; V126-Q129 WeakPolarHBondContact O-CB 3.28Å; V126-Q129 PolarHBondContact O-N 3.35Å; V126-T130 PolarHBondContact O-N 3.43Å; V126-T130 PolarHBondContact O-OG1 3.13Å
127F94.1Very high91.7Very high61 Ų6164.7 Ų64.727%0.26834%0.34SS..Hα-helixtrans-58.6-45.2179.4174.6-116.7000113.2L80 S123 F124 H125 T130 L131 F141L80-F127 HydrophobicContact CD2-CE1 4.07Å; S123-F127 WeakPolarHBondContact O-CB 3.36Å; S123-F127 PolarHBondContact O-N 3.46Å; F124-F127 HydrophobicContact CD2-CD1 4.18Å; F124-F127 HydrophobicContact CE2-CD1 4.24Å; F124-F127 PolarHBondContact O-N 3.06Å; H125-F127 PolarHBondContact O-N 2.71Å; F127-T130 WeakPolarHBondContact O-CB 3.04Å; F127-T130 PolarHBondContact O-N 3.12Å; F127-L131 HydrophobicContact CD1-CD1 4.25Å; F127-L131 HydrophobicContact CE1-CD1 3.64Å; F127-L131 HydrophobicContact CE1-CG 4.35Å; F127-L131 HydrophobicContact CE2-CD1 4.25Å; F127-L131 HydrophobicContact CE2-CD2 4.15Å; F127-L131 HydrophobicContact CE2-CG 4.11Å; F127-L131 HydrophobicContact CZ-CD1 3.62Å; F127-L131 HydrophobicContact CZ-CD2 4.08Å; F127-L131 HydrophobicContact CZ-CG 3.98Å; F127-L131 WeakPolarHBondContact O-CG 3.49Å; F127-L131 PolarHBondContact O-N 2.97Å; F127-F141 HydrophobicContact CE1-CE1 4.38Å; F127-F141 HydrophobicContact CE1-CE2 4.2Å; F127-F141 HydrophobicContact CE1-CZ 4.02Å; F127-F141 HydrophobicContact CE2-CD2 4.24Å; F127-F141 HydrophobicContact CE2-CE2 4.45Å; F127-F141 HydrophobicContact CZ-CD1 4.12Å; F127-F141 AromaticContact CZ-CD2 3.63Å; F127-F141 HydrophobicContact CZ-CD2 3.63Å; F127-F141 AromaticContact CZ-CE1 3.99Å; F127-F141 HydrophobicContact CZ-CE1 3.99Å; F127-F141 AromaticContact CZ-CE2 3.51Å; F127-F141 HydrophobicContact CZ-CE2 3.51Å; F127-F141 AromaticContact CZ-CG 3.94Å; F127-F141 HydrophobicContact CZ-CG 3.94Å; F127-F141 AromaticContact CZ-CZ 3.68Å; F127-F141 HydrophobicContact CZ-CZ 3.68Å
128V93.8Very high92.1Very high0 Ų064.8 Ų64.80%034%0.338CS..Hα-helixtrans-68.4-35.7177.2175.20000111.6I79 I92 L96 F124 H125 V126 T130 L131 L132I79-V128 HydrophobicContact CG2-CB 4.47Å; I79-V128 HydrophobicContact CG2-CG1 3.78Å; I79-V128 HydrophobicContact CG2-CG2 3.81Å; I92-V128 HydrophobicContact CG2-CG1 4.08Å; L96-V128 HydrophobicContact CD1-CB 4.44Å; L96-V128 HydrophobicContact CD1-CG1 3.9Å; L96-V128 HydrophobicContact CD2-CB 4.04Å; L96-V128 HydrophobicContact CD2-CG1 4.1Å; L96-V128 HydrophobicContact CD2-CG2 4.23Å; L96-V128 HydrophobicContact CG-CG1 4.35Å; F124-V128 HydrophobicContact CD1-CG2 4.04Å; F124-V128 HydrophobicContact CD2-CG2 4.46Å; F124-V128 HydrophobicContact CE1-CG2 3.54Å; F124-V128 HydrophobicContact CE2-CG2 4.01Å; F124-V128 HydrophobicContact CG-CG2 4.47Å; F124-V128 HydrophobicContact CZ-CG2 3.51Å; F124-V128 WeakPolarHBondContact O-CG2 3.33Å; F124-V128 PolarHBondContact O-N 3.49Å; H125-V128 PolarHBondContact O-N 2.91Å; V126-V128 PolarHBondContact O-N 2.96Å; V128-T130 VanDerWaalsContact C-N 3.3Å; V128-T130 PolarHBondContact O-N 2.98Å; V128-L131 PolarHBondContact O-N 2.94Å; V128-L132 HydrophobicContact CG1-CD1 3.99Å; V128-L132 HydrophobicContact CG1-CG 4.35Å; V128-L132 WeakPolarHBondContact O-CG 3.3Å; V128-L132 PolarHBondContact O-N 3.46Å
129Q91.9Very high92.4Very high110 Ų11068.4 Ų68.451%0.51436%0.355SS..Hα-helixtrans-60.1-40.1172.1-72.5172.4200111.6H125 V126 L132 T133H125-Q129 WeakPolarHBondContact O-CG 3.35Å; H125-Q129 PolarHBondContact O-N 2.8Å; V126-Q129 WeakPolarHBondContact O-CB 3.28Å; V126-Q129 PolarHBondContact O-N 3.35Å; Q129-L132 PolarHBondContact O-N 3.31Å; Q129-T133 WeakPolarHBondContact O-CB 3.22Å; Q129-T133 PolarHBondContact O-N 2.7Å; Q129-T133 PolarHBondContact O-OG1 2.85Å
130T93.4Very high92.7Very high48 Ų4866.5 Ų66.529%0.29435%0.353SS..Hα-helixtrans-62.6-47173.2-54.50000112V126 F127 V128 L132 T133 N134 E137V126-T130 PolarHBondContact O-N 3.43Å; V126-T130 PolarHBondContact O-OG1 3.13Å; F127-T130 WeakPolarHBondContact O-CB 3.04Å; F127-T130 PolarHBondContact O-N 3.12Å; V128-T130 VanDerWaalsContact C-N 3.3Å; V128-T130 PolarHBondContact O-N 2.98Å; T130-L132 PolarHBondContact O-N 3.16Å; T130-T133 PolarHBondContact O-N 2.8Å; T130-T133 VanDerWaalsContact O-N 3.11Å; T130-N134 PolarHBondContact O-N 3.06Å; T130-E137 WeakPolarHBondContact CG2-OE2 3.47Å
131L93.6Very high92.9Very high2 Ų263.6 Ų63.61%0.0134%0.335CS..Hα-helixtrans-61.6-27.8177.1-66.6178000114L80 F127 V128 R138 F141L80-L131 HydrophobicContact CD2-CD1 3.61Å; F127-L131 HydrophobicContact CD1-CD1 4.25Å; F127-L131 HydrophobicContact CE1-CD1 3.64Å; F127-L131 HydrophobicContact CE1-CG 4.35Å; F127-L131 HydrophobicContact CE2-CD1 4.25Å; F127-L131 HydrophobicContact CE2-CD2 4.15Å; F127-L131 HydrophobicContact CE2-CG 4.11Å; F127-L131 HydrophobicContact CZ-CD1 3.62Å; F127-L131 HydrophobicContact CZ-CD2 4.08Å; F127-L131 HydrophobicContact CZ-CG 3.98Å; F127-L131 WeakPolarHBondContact O-CG 3.49Å; F127-L131 PolarHBondContact O-N 2.97Å; V128-L131 PolarHBondContact O-N 2.94Å; L131-R138 HydrophobicContact CD2-CB 4.28Å; L131-R138 WeakPolarHBondContact O-CD 3.44Å; L131-R138 PolarHBondContact O-NH1 3.33Å; L131-R138 VanDerWaalsContact O-NH1 3.08Å; L131-F141 HydrophobicContact CD1-CD1 4.06Å; L131-F141 HydrophobicContact CD1-CE1 4.15Å; L131-F141 HydrophobicContact CD2-CB 3.86Å; L131-F141 HydrophobicContact CD2-CD1 3.75Å; L131-F141 HydrophobicContact CD2-CG 3.93Å
132L91.6Very high93.2Very high36 Ų3664.4 Ų64.419%0.18834%0.337CS..Hα-helixtrans-83.5-29.6175.6-67.7172.7000112.4P87 V89 I92 V128 Q129 T130P87-L132 HydrophobicContact CB-CD2 4.16Å; V89-L132 HydrophobicContact CG2-CD1 4.46Å; I92-L132 HydrophobicContact CD1-CD2 3.78Å; I92-L132 HydrophobicContact CG2-CD1 4.12Å; V128-L132 HydrophobicContact CG1-CD1 3.99Å; V128-L132 HydrophobicContact CG1-CG 4.35Å; V128-L132 WeakPolarHBondContact O-CG 3.3Å; V128-L132 PolarHBondContact O-N 3.46Å; Q129-L132 PolarHBondContact O-N 3.31Å; T130-L132 PolarHBondContact O-N 3.16Å
133T93.3Very high93.4Very high124 Ų12467 Ų6776%0.76135%0.347SS*.Hα-helixtrans-86.5-37.7-177.7-52.40000112.9Q129 T130Q129-T133 WeakPolarHBondContact O-CB 3.22Å; Q129-T133 PolarHBondContact O-N 2.7Å; Q129-T133 PolarHBondContact O-OG1 2.85Å; T130-T133 PolarHBondContact O-N 2.8Å; T130-T133 VanDerWaalsContact O-N 3.11Å
134N93.6Very high93.4Very high59 Ų5968.4 Ų68.432%0.31635%0.346SS..  trans-117.5106.2-176.9-171.7-8.6000111.9T130 A136 E137 R138T130-N134 PolarHBondContact O-N 3.06Å; N134-A136 PolarHBondContact O-N 3.36Å; N134-A136 PolarHBondContact OD1-N 2.83Å; N134-E137 HydrophobicContact CB-CB 4.11Å; N134-E137 HydrophobicContact CB-CG 4.41Å; N134-E137 WeakPolarHBondContact ND2-CG 3.28Å; N134-E137 PolarHBondContact ND2-OE1 3.31Å; N134-E137 PolarHBondContact O-N 3.21Å; N134-E137 PolarHBondContact OD1-N 3.05Å; N134-R138 WeakPolarHBondContact O-CB 3.11Å; N134-R138 PolarHBondContact O-N 2.93Å
135E92.5Very high93.3Very high117 Ų11772 Ų7255%0.54736%0.363SS..Hα-helixtrans-64.1-35.9178.2179.4152.1-118.300113.3R138 E139E135-R138 VanDerWaalsContact CD-NH2 3.31Å; E135-R138 WeakPolarHBondContact O-CB 3.43Å; E135-R138 PolarHBondContact O-N 2.94Å; E135-R138 IonicContact OE1-CZ 3.82Å; E135-R138 IonicContact OE1-NH2 2.67Å; E135-R138 PolarHBondContact OE1-NH2 3.12Å; E135-E139 WeakPolarHBondContact O-CG 3.5Å; E135-E139 PolarHBondContact O-N 2.59Å
136A93Very high93.4Very high65 Ų6570.9 Ų70.954%0.53736%0.357SS..Hα-helixtrans-70-38.9179.700000112.2N134 R138 H140N134-A136 PolarHBondContact O-N 3.36Å; N134-A136 PolarHBondContact OD1-N 2.83Å; A136-R138 VanDerWaalsContact C-N 3.34Å; A136-H140 WeakPolarHBondContact O-CB 3.39Å; A136-H140 PolarHBondContact O-N 3.08Å; A136-H140 VanDerWaalsContact O-N 3.08Å
137E92.8Very high93.4Very high100 Ų10070 Ų7047%0.46735%0.354SS..Hα-helixtrans-66.7-37171.1-80178.6-112.900111.6T130 N134 H140 F141T130-E137 WeakPolarHBondContact CG2-OE2 3.47Å; N134-E137 HydrophobicContact CB-CB 4.11Å; N134-E137 HydrophobicContact CB-CG 4.41Å; N134-E137 WeakPolarHBondContact ND2-CG 3.28Å; N134-E137 PolarHBondContact ND2-OE1 3.31Å; N134-E137 PolarHBondContact O-N 3.21Å; N134-E137 PolarHBondContact OD1-N 3.05Å; E137-H140 PolarHBondContact O-N 3.03Å; E137-F141 VanDerWaalsContact O-CB 3.27Å; E137-F141 WeakPolarHBondContact O-CB 3.44Å; E137-F141 PolarHBondContact O-N 2.78Å
138R93.8Very high93.4Very high32 Ų3271.4 Ų71.412%0.12137%0.367CS..Hα-helixtrans-60.5-50174.4176.917662.7-136.214.2112.2L131 N134 E135 A136 F141 F142L131-R138 HydrophobicContact CD2-CB 4.28Å; L131-R138 WeakPolarHBondContact O-CD 3.44Å; L131-R138 PolarHBondContact O-NH1 3.33Å; L131-R138 VanDerWaalsContact O-NH1 3.08Å; N134-R138 WeakPolarHBondContact O-CB 3.11Å; N134-R138 PolarHBondContact O-N 2.93Å; E135-R138 VanDerWaalsContact CD-NH2 3.31Å; E135-R138 WeakPolarHBondContact O-CB 3.43Å; E135-R138 PolarHBondContact O-N 2.94Å; E135-R138 IonicContact OE1-CZ 3.82Å; E135-R138 IonicContact OE1-NH2 2.67Å; E135-R138 PolarHBondContact OE1-NH2 3.12Å; A136-R138 VanDerWaalsContact C-N 3.34Å; R138-F141 PolarHBondContact O-N 3.15Å; R138-F142 HydrophobicContact CG-CD2 3.69Å; R138-F142 HydrophobicContact CG-CE2 3.72Å; R138-F142 VanDerWaalsContact O-CD2 3.26Å; R138-F142 WeakPolarHBondContact O-CD2 3.43Å; R138-F142 PolarHBondContact O-N 2.91Å
139E93.6Very high93.3Very high133 Ų13375.1 Ų75.162%0.62139%0.387SS*.Hα-helixtrans-61-46.3177.3-73-171.3163.700111.7E135 F142 K143E135-E139 WeakPolarHBondContact O-CG 3.5Å; E135-E139 PolarHBondContact O-N 2.59Å; E139-F142 PolarHBondContact O-N 3.36Å; E139-K143 VanDerWaalsContact O-CB 3.26Å; E139-K143 WeakPolarHBondContact O-CB 3.48Å; E139-K143 PolarHBondContact O-N 3.23Å; E139-K143 VanDerWaalsContact O-N 3.07Å
140H94.3Very high93.4Very high119 Ų11971.9 Ų71.955%0.55137%0.371SS*.Hα-helixtrans-59.7-47.6177.1178.7-90.6000112A136 E137 K143 E144A136-H140 WeakPolarHBondContact O-CB 3.39Å; A136-H140 PolarHBondContact O-N 3.08Å; A136-H140 VanDerWaalsContact O-N 3.08Å; E137-H140 PolarHBondContact O-N 3.03Å; H140-K143 PolarHBondContact O-N 3.47Å; H140-E144 PolarHBondContact O-N 3.13Å
141F95.2Very high93.3Very high6 Ų670.1 Ų70.13%0.02636%0.362CS..Iπ-helixtrans-58.6-50.8177.5168-104.6000111.8L80 F127 L131 E137 R138 K143 Q145 F146 Y150L80-F141 HydrophobicContact CD1-CE1 4.48Å; L80-F141 HydrophobicContact CD1-CZ 4.26Å; L80-F141 HydrophobicContact CD2-CE1 4.03Å; L80-F141 HydrophobicContact CD2-CZ 4.42Å; F127-F141 HydrophobicContact CE1-CE1 4.38Å; F127-F141 HydrophobicContact CE1-CE2 4.2Å; F127-F141 HydrophobicContact CE1-CZ 4.02Å; F127-F141 HydrophobicContact CE2-CD2 4.24Å; F127-F141 HydrophobicContact CE2-CE2 4.45Å; F127-F141 HydrophobicContact CZ-CD1 4.12Å; F127-F141 AromaticContact CZ-CD2 3.63Å; F127-F141 HydrophobicContact CZ-CD2 3.63Å; F127-F141 AromaticContact CZ-CE1 3.99Å; F127-F141 HydrophobicContact CZ-CE1 3.99Å; F127-F141 AromaticContact CZ-CE2 3.51Å; F127-F141 HydrophobicContact CZ-CE2 3.51Å; F127-F141 AromaticContact CZ-CG 3.94Å; F127-F141 HydrophobicContact CZ-CG 3.94Å; F127-F141 AromaticContact CZ-CZ 3.68Å; F127-F141 HydrophobicContact CZ-CZ 3.68Å; L131-F141 HydrophobicContact CD1-CD1 4.06Å; L131-F141 HydrophobicContact CD1-CE1 4.15Å; L131-F141 HydrophobicContact CD2-CB 3.86Å; L131-F141 HydrophobicContact CD2-CD1 3.75Å; L131-F141 HydrophobicContact CD2-CG 3.93Å; E137-F141 VanDerWaalsContact O-CB 3.27Å; E137-F141 WeakPolarHBondContact O-CB 3.44Å; E137-F141 PolarHBondContact O-N 2.78Å; R138-F141 PolarHBondContact O-N 3.15Å; F141-K143 PolarHBondContact O-N 2.94Å; F141-Q145 HydrophobicContact CD2-CB 3.81Å; F141-Q145 HydrophobicContact CD2-CG 4.03Å; F141-Q145 HydrophobicContact CE2-CB 4.22Å; F141-Q145 HydrophobicContact CE2-CG 4.08Å; F141-Q145 PolarHBondContact O-N 2.68Å; F141-F146 HydrophobicContact CD1-CB 4.29Å; F141-F146 HydrophobicContact CE1-CB 3.82Å; F141-F146 AromaticContact CE1-CD2 3.78Å; F141-F146 HydrophobicContact CE1-CD2 3.78Å; F141-F146 HydrophobicContact CE1-CG 4.21Å; F141-F146 HydrophobicContact CE2-CB 4.2Å; F141-F146 HydrophobicContact CZ-CB 3.77Å; F141-F146 AromaticContact CZ-CD2 3.82Å; F141-F146 HydrophobicContact CZ-CD2 3.82Å; F141-F146 HydrophobicContact CZ-CG 4.29Å; F141-F146 WeakPolarHBondContact O-CB 3.34Å; F141-F146 PolarHBondContact O-N 3.01Å; F141-Y150 HydrophobicContact CE2-CD2 4.21Å; F141-Y150 HydrophobicContact CE2-CE2 4.06Å; F141-Y150 AromaticContact CZ-CD2 3.73Å; F141-Y150 HydrophobicContact CZ-CD2 3.73Å; F141-Y150 AromaticContact CZ-CE2 3.73Å; F141-Y150 HydrophobicContact CZ-CE2 3.73Å
142F95.1Very high93.3Very high26 Ų2674.2 Ų74.211%0.11439%0.389CS..Iπ-helixtrans-66.8-26.2-177.5-80.9-61.9000113.7L80 C83 L84 R138 E139 F146L80-F142 HydrophobicContact CB-CE1 4.33Å; L80-F142 HydrophobicContact CB-CZ 4.4Å; L80-F142 WeakPolarHBondContact O-CZ 3.26Å; C83-F142 HydrophobicContact CB-CE2 4.03Å; C83-F142 HydrophobicContact CB-CZ 3.86Å; L84-F142 HydrophobicContact CB-CD1 4.35Å; L84-F142 HydrophobicContact CB-CE1 3.95Å; L84-F142 HydrophobicContact CB-CE2 4.16Å; L84-F142 HydrophobicContact CB-CZ 3.87Å; L84-F142 HydrophobicContact CD1-CB 4.25Å; L84-F142 HydrophobicContact CD1-CD1 4.11Å; L84-F142 HydrophobicContact CD1-CD2 4.06Å; L84-F142 HydrophobicContact CD1-CE2 4.48Å; L84-F142 HydrophobicContact CD1-CG 3.88Å; L84-F142 HydrophobicContact CD2-CD1 4.41Å; R138-F142 HydrophobicContact CG-CD2 3.69Å; R138-F142 HydrophobicContact CG-CE2 3.72Å; R138-F142 VanDerWaalsContact O-CD2 3.26Å; R138-F142 WeakPolarHBondContact O-CD2 3.43Å; R138-F142 PolarHBondContact O-N 2.91Å; E139-F142 PolarHBondContact O-N 3.36Å; F142-F146 HydrophobicContact CD1-CB 3.96Å; F142-F146 AromaticContact CD1-CD1 3.87Å; F142-F146 HydrophobicContact CD1-CD1 3.87Å; F142-F146 AromaticContact CD1-CD2 3.84Å; F142-F146 HydrophobicContact CD1-CD2 3.84Å; F142-F146 HydrophobicContact CD1-CE1 4.23Å; F142-F146 HydrophobicContact CD1-CE2 4.21Å; F142-F146 AromaticContact CD1-CG 3.64Å; F142-F146 HydrophobicContact CD1-CG 3.64Å; F142-F146 HydrophobicContact CD1-CZ 4.37Å; F142-F146 HydrophobicContact CE1-CD1 4.4Å; F142-F146 AromaticContact CE1-CD2 3.71Å; F142-F146 HydrophobicContact CE1-CD2 3.71Å; F142-F146 HydrophobicContact CE1-CE1 4.46Å; F142-F146 AromaticContact CE1-CE2 3.78Å; F142-F146 HydrophobicContact CE1-CE2 3.78Å; F142-F146 HydrophobicContact CE1-CG 4.02Å; F142-F146 HydrophobicContact CE1-CZ 4.15Å
143K93.9Very high93.5Very high149 Ų14982 Ų8265%0.64842%0.416SS*.Iπ-helixtrans-83.5-48.5-179.7-172.4172.9170.2-79.10113.4E139 H140 F141E139-K143 VanDerWaalsContact O-CB 3.26Å; E139-K143 WeakPolarHBondContact O-CB 3.48Å; E139-K143 PolarHBondContact O-N 3.23Å; E139-K143 VanDerWaalsContact O-N 3.07Å; H140-K143 PolarHBondContact O-N 3.47Å; F141-K143 PolarHBondContact O-N 2.94Å
144E93.5Very high93.6Very high100 Ų10078.4 Ų78.447%0.46739%0.39SS..Iπ-helixtrans-101.3-41.1-170.9-54.9-58.4146.800113.3H140H140-E144 PolarHBondContact O-N 3.13Å
145Q91.9Very high93.7Very high89 Ų8976.5 Ų76.542%0.41638%0.379SS..Iπ-helixtrans-101.6-42.1-165.7-174.4169.9700113.5F141 P147 T148 D149F141-Q145 HydrophobicContact CD2-CB 3.81Å; F141-Q145 HydrophobicContact CD2-CG 4.03Å; F141-Q145 HydrophobicContact CE2-CB 4.22Å; F141-Q145 HydrophobicContact CE2-CG 4.08Å; F141-Q145 PolarHBondContact O-N 2.68Å; Q145-P147 VanDerWaalsContact C-CD 3.47Å; Q145-T148 WeakPolarHBondContact O-CA 3.49Å; Q145-T148 WeakPolarHBondContact O-CB 3.46Å; Q145-T148 PolarHBondContact O-N 3.49Å; Q145-D149 WeakPolarHBondContact CG-OD2 3.32Å; Q145-D149 PolarHBondContact NE2-OD2 3.4Å; Q145-D149 PolarHBondContact O-N 3.07Å
146F93.7Very high93.9Very high23 Ų2375.5 Ų75.510%0.10138%0.375CS..Hα-helixtrans-54.7-41.8178.7176.5-100.7000114.2L80 F141 F142 T148 Y150 G151L80-F146 HydrophobicContact CB-CE2 3.9Å; L80-F146 HydrophobicContact CD1-CD2 4.25Å; L80-F146 HydrophobicContact CD1-CE2 4.15Å; F141-F146 HydrophobicContact CD1-CB 4.29Å; F141-F146 HydrophobicContact CE1-CB 3.82Å; F141-F146 AromaticContact CE1-CD2 3.78Å; F141-F146 HydrophobicContact CE1-CD2 3.78Å; F141-F146 HydrophobicContact CE1-CG 4.21Å; F141-F146 HydrophobicContact CE2-CB 4.2Å; F141-F146 HydrophobicContact CZ-CB 3.77Å; F141-F146 AromaticContact CZ-CD2 3.82Å; F141-F146 HydrophobicContact CZ-CD2 3.82Å; F141-F146 HydrophobicContact CZ-CG 4.29Å; F141-F146 WeakPolarHBondContact O-CB 3.34Å; F141-F146 PolarHBondContact O-N 3.01Å; F142-F146 HydrophobicContact CD1-CB 3.96Å; F142-F146 AromaticContact CD1-CD1 3.87Å; F142-F146 HydrophobicContact CD1-CD1 3.87Å; F142-F146 AromaticContact CD1-CD2 3.84Å; F142-F146 HydrophobicContact CD1-CD2 3.84Å; F142-F146 HydrophobicContact CD1-CE1 4.23Å; F142-F146 HydrophobicContact CD1-CE2 4.21Å; F142-F146 AromaticContact CD1-CG 3.64Å; F142-F146 HydrophobicContact CD1-CG 3.64Å; F142-F146 HydrophobicContact CD1-CZ 4.37Å; F142-F146 HydrophobicContact CE1-CD1 4.4Å; F142-F146 AromaticContact CE1-CD2 3.71Å; F142-F146 HydrophobicContact CE1-CD2 3.71Å; F142-F146 HydrophobicContact CE1-CE1 4.46Å; F142-F146 AromaticContact CE1-CE2 3.78Å; F142-F146 HydrophobicContact CE1-CE2 3.78Å; F142-F146 HydrophobicContact CE1-CG 4.02Å; F142-F146 HydrophobicContact CE1-CZ 4.15Å; F146-T148 PolarHBondContact O-N 3.07Å; F146-Y150 HydrophobicContact CD2-CD2 4.15Å; F146-Y150 HydrophobicContact CD2-CG 4.18Å; F146-Y150 HydrophobicContact CE2-CG 4.46Å; F146-Y150 CarbonylContact O-C 3.59Å; F146-Y150 WeakPolarHBondContact O-CA 3.39Å; F146-Y150 PolarHBondContact O-N 3.24Å; F146-G151 PolarHBondContact O-N 2.87Å
147P93.6Very high94.2Very high71 Ų7177.2 Ų77.246%0.46137%0.372SS..Hα-helixtrans-65.2-22.5176.1-20.534.3000113.6Q145 G151Q145-P147 VanDerWaalsContact C-CD 3.47Å; P147-G151 WeakPolarHBondContact O-CA 3.48Å
148T93.1Very high94.4Very high90 Ų9072.7 Ų72.755%0.55235%0.351SS*.Hα-helixtrans-88-51.1-179.4-57.70000111.1Q145 F146Q145-T148 WeakPolarHBondContact O-CA 3.49Å; Q145-T148 WeakPolarHBondContact O-CB 3.46Å; Q145-T148 PolarHBondContact O-N 3.49Å; F146-T148 PolarHBondContact O-N 3.07Å
149D91.8Very high94.5Very high78 Ų7872.4 Ų72.442%0.41735%0.351SS..Hα-helixtrans-88.2-33.2-170.7-69.2-11.5000113.3Q145Q145-D149 WeakPolarHBondContact CG-OD2 3.32Å; Q145-D149 PolarHBondContact NE2-OD2 3.4Å; Q145-D149 PolarHBondContact O-N 3.07Å
150Y94.4Very high94.7Very high42 Ų4271.6 Ų71.617%0.16535%0.345CS..SBendtrans-116.713.4-178.5-63.7-87.1000113L80 F141 F146 F154L80-Y150 HydrophobicContact CD1-CD1 3.56Å; L80-Y150 HydrophobicContact CD1-CD2 3.79Å; L80-Y150 HydrophobicContact CD1-CE1 3.51Å; L80-Y150 HydrophobicContact CD1-CE2 3.75Å; L80-Y150 HydrophobicContact CD1-CG 3.69Å; F141-Y150 HydrophobicContact CE2-CD2 4.21Å; F141-Y150 HydrophobicContact CE2-CE2 4.06Å; F141-Y150 AromaticContact CZ-CD2 3.73Å; F141-Y150 HydrophobicContact CZ-CD2 3.73Å; F141-Y150 AromaticContact CZ-CE2 3.73Å; F141-Y150 HydrophobicContact CZ-CE2 3.73Å; F146-Y150 HydrophobicContact CD2-CD2 4.15Å; F146-Y150 HydrophobicContact CD2-CG 4.18Å; F146-Y150 HydrophobicContact CE2-CG 4.46Å; F146-Y150 CarbonylContact O-C 3.59Å; F146-Y150 WeakPolarHBondContact O-CA 3.39Å; F146-Y150 PolarHBondContact O-N 3.24Å; Y150-F154 HydrophobicContact CD1-CD1 4.49Å; Y150-F154 AromaticContact CD1-CD2 3.95Å; Y150-F154 HydrophobicContact CD1-CD2 3.95Å; Y150-F154 HydrophobicContact CD1-CE1 4.33Å; Y150-F154 AromaticContact CD1-CE2 3.75Å; Y150-F154 HydrophobicContact CD1-CE2 3.75Å; Y150-F154 HydrophobicContact CD1-CG 4.32Å; Y150-F154 AromaticContact CD1-CZ 3.95Å; Y150-F154 HydrophobicContact CD1-CZ 3.95Å; Y150-F154 HydrophobicContact CE1-CD2 4.41Å; Y150-F154 AromaticContact CE1-CE2 3.92Å; Y150-F154 HydrophobicContact CE1-CE2 3.92Å; Y150-F154 HydrophobicContact CE1-CZ 4.28Å
151G91.2Very high94.9Very high11 Ų1166.9 Ų66.911%0.11332%0.324CS..SBendtrans-82.9-155.4177.200000114.5F146 P147 R153 F154 D155F146-G151 PolarHBondContact O-N 2.87Å; P147-G151 WeakPolarHBondContact O-CA 3.48Å; G151-R153 PolarHBondContact O-N 3.15Å; G151-F154 WeakPolarHBondContact O-CB 3.31Å; G151-F154 PolarHBondContact O-N 3Å; G151-D155 PolarHBondContact O-N 2.94Å
152P93.8Very high95Very high89 Ų8966.6 Ų66.658%0.57832%0.323SS*.Hα-helixtrans-56.2-27.2-167.1-29.535.9000116.4Q156P152-Q156 WeakPolarHBondContact O-CB 3.31Å; P152-Q156 WeakPolarHBondContact O-CG 3.49Å; P152-Q156 PolarHBondContact O-N 3.48Å; P152-Q156 VanDerWaalsContact O-N 3.08Å
153R95.4Very high95.1Very high199 Ų19967.9 Ų67.975%0.75133%0.327SS*.Hα-helixtrans-68.5-44.3175.7-70.2179.2178.1157.6-1.1112.1G151 Q156 E157G151-R153 PolarHBondContact O-N 3.15Å; R153-Q156 PolarHBondContact O-N 2.86Å; R153-E157 PolarHBondContact O-N 2.87Å; R153-E157 VanDerWaalsContact O-N 3.15Å
154F96.2Very high95.3Very high48 Ų4863 Ų6321%0.21131%0.306CS..Hα-helixtrans-63-46.5178.1176.7-84.3000110.6R77 Y150 G151 Q156 E157 L158R77-F154 HydrophobicContact CB-CE1 3.9Å; R77-F154 HydrophobicContact CB-CZ 4.44Å; R77-F154 HydrophobicContact CG-CE1 4.17Å; Y150-F154 HydrophobicContact CD1-CD1 4.49Å; Y150-F154 AromaticContact CD1-CD2 3.95Å; Y150-F154 HydrophobicContact CD1-CD2 3.95Å; Y150-F154 HydrophobicContact CD1-CE1 4.33Å; Y150-F154 AromaticContact CD1-CE2 3.75Å; Y150-F154 HydrophobicContact CD1-CE2 3.75Å; Y150-F154 HydrophobicContact CD1-CG 4.32Å; Y150-F154 AromaticContact CD1-CZ 3.95Å; Y150-F154 HydrophobicContact CD1-CZ 3.95Å; Y150-F154 HydrophobicContact CE1-CD2 4.41Å; Y150-F154 AromaticContact CE1-CE2 3.92Å; Y150-F154 HydrophobicContact CE1-CE2 3.92Å; Y150-F154 HydrophobicContact CE1-CZ 4.28Å; G151-F154 WeakPolarHBondContact O-CB 3.31Å; G151-F154 PolarHBondContact O-N 3Å; F154-Q156 VanDerWaalsContact C-N 3.31Å; F154-Q156 PolarHBondContact O-N 3.22Å; F154-E157 PolarHBondContact O-N 3.29Å; F154-L158 HydrophobicContact CD1-CD1 4.07Å; F154-L158 HydrophobicContact CE1-CD1 3.47Å; F154-L158 VanDerWaalsContact CE1-CD1 3.47Å; F154-L158 HydrophobicContact CE1-CG 4.1Å; F154-L158 HydrophobicContact CZ-CD1 4.23Å; F154-L158 PolarHBondContact O-N 3.35Å
155D95.7Very high95.4Very high19 Ų1958.2 Ų58.210%0.10228%0.284CS..Hα-helixtrans-60.1-38.7175.4-72.3-21.6000112.8R39 G151 L158 E159R39-D155 WeakPolarHBondContact CD-OD2 3.43Å; R39-D155 IonicContact CZ-OD2 2.64Å; R39-D155 IonicContact NE-OD1 2.71Å; R39-D155 IonicContact NE-OD2 2.68Å; R39-D155 PolarHBondContact NE-OD2 3.15Å; R39-D155 IonicContact NH2-OD2 3.65Å; G151-D155 PolarHBondContact O-N 2.94Å; D155-L158 PolarHBondContact O-N 3.35Å; D155-E159 WeakPolarHBondContact O-CG 3.47Å; D155-E159 PolarHBondContact O-N 2.96Å
156Q96.8Very high95.6Very high97 Ų9754.5 Ų54.545%0.45327%0.267SS..Hα-helixtrans-66.8-34.2177.5-78.2170.31900112.8P152 R153 F154 K160P152-Q156 WeakPolarHBondContact O-CB 3.31Å; P152-Q156 WeakPolarHBondContact O-CG 3.49Å; P152-Q156 PolarHBondContact O-N 3.48Å; P152-Q156 VanDerWaalsContact O-N 3.08Å; R153-Q156 PolarHBondContact O-N 2.86Å; F154-Q156 VanDerWaalsContact C-N 3.31Å; F154-Q156 PolarHBondContact O-N 3.22Å; Q156-K160 WeakPolarHBondContact O-CD 3.42Å; Q156-K160 VanDerWaalsContact O-CG 3.23Å; Q156-K160 WeakPolarHBondContact O-CG 3.38Å; Q156-K160 PolarHBondContact O-N 2.84Å
157E97.6Very high95.6Very high101 Ų10156.1 Ų56.147%0.47228%0.276SS..Hα-helixtrans-71.9-37.6172.9-65.3-53.1126.600111.7R153 F154 K160 L161R153-E157 PolarHBondContact O-N 2.87Å; R153-E157 VanDerWaalsContact O-N 3.15Å; F154-E157 PolarHBondContact O-N 3.29Å; E157-K160 PolarHBondContact O-N 2.88Å; E157-K160 IonicContact OE1-NZ 3.21Å; E157-K160 PolarHBondContact OE1-NZ 3.08Å; E157-L161 WeakPolarHBondContact O-CB 3.25Å; E157-L161 WeakPolarHBondContact O-CG 3.48Å; E157-L161 PolarHBondContact O-N 3.2Å
158L97.2Very high95.6Very high5 Ų557.2 Ų57.23%0.02627%0.271CS..Hα-helixtrans-60-44169.8-84.2-177.8000112.2L36 Y44 L70 L74 F154 D155 L161 L162L36-L158 HydrophobicContact CD2-CB 4.33Å; Y44-L158 HydrophobicContact CE2-CD1 4.17Å; L70-L158 HydrophobicContact CD1-CD2 3.89Å; L74-L158 HydrophobicContact CD2-CD2 4.42Å; L74-L158 HydrophobicContact CG-CD2 4.14Å; F154-L158 HydrophobicContact CD1-CD1 4.07Å; F154-L158 HydrophobicContact CE1-CD1 3.47Å; F154-L158 VanDerWaalsContact CE1-CD1 3.47Å; F154-L158 HydrophobicContact CE1-CG 4.1Å; F154-L158 HydrophobicContact CZ-CD1 4.23Å; F154-L158 PolarHBondContact O-N 3.35Å; D155-L158 PolarHBondContact O-N 3.35Å; L158-L161 PolarHBondContact O-N 3.16Å; L158-L162 WeakPolarHBondContact O-CB 3.31Å; L158-L162 PolarHBondContact O-N 3.41Å
159E97.5Very high95.6Very high26 Ų2653.7 Ų53.712%0.12125%0.249CC..Hα-helixtrans-59.8-45175.1-78.2-178.2-169.700112.1W33 L36 K37 R39 D155 L161 W163W33-E159 HydrophobicContact CH2-CB 4.14Å; W33-E159 HydrophobicContact CH2-CG 4.43Å; W33-E159 HydrophobicContact CZ3-CB 4.12Å; W33-E159 HydrophobicContact CZ3-CG 4.33Å; W33-E159 WeakPolarHBondContact CZ3-O 3.35Å; L36-E159 HydrophobicContact CD2-CB 4.29Å; L36-E159 HydrophobicContact CD2-CG 3.82Å; K37-E159 WeakPolarHBondContact CE-OE2 3.31Å; K37-E159 VanDerWaalsContact NZ-CD 3.27Å; K37-E159 IonicContact NZ-OE1 2.78Å; K37-E159 PolarHBondContact NZ-OE1 3.09Å; K37-E159 IonicContact NZ-OE2 2.78Å; K37-E159 PolarHBondContact NZ-OE2 2.78Å; R39-E159 IonicContact CZ-OE1 2.85Å; R39-E159 VanDerWaalsContact CZ-OE1 3.25Å; R39-E159 IonicContact NH1-OE1 3.49Å; R39-E159 PolarHBondContact NH1-OE1 3.48Å; R39-E159 IonicContact NH2-OE1 3.56Å; R39-E159 PolarHBondContact NH2-OE1 3.32Å; D155-E159 WeakPolarHBondContact O-CG 3.47Å; D155-E159 PolarHBondContact O-N 2.96Å; E159-L161 PolarHBondContact O-N 3.41Å; E159-W163 WeakPolarHBondContact O-CB 3.43Å; E159-W163 PolarHBondContact O-N 3.5Å
160K97.7Very high95.5Very high115 Ų11553 Ų5350%0.525%0.245SC..Hα-helixtrans-62.3-43.5178.1-70.3162.7-164173.70112Q156 E157 W163 E164Q156-K160 WeakPolarHBondContact O-CD 3.42Å; Q156-K160 VanDerWaalsContact O-CG 3.23Å; Q156-K160 WeakPolarHBondContact O-CG 3.38Å; Q156-K160 PolarHBondContact O-N 2.84Å; E157-K160 PolarHBondContact O-N 2.88Å; E157-K160 IonicContact OE1-NZ 3.21Å; E157-K160 PolarHBondContact OE1-NZ 3.08Å; K160-W163 PolarHBondContact O-N 2.75Å; K160-E164 PolarHBondContact O-N 2.78Å
161L97.8Very high95.2Very high20 Ų2057.1 Ų57.111%0.10527%0.266CS..Hα-helixtrans-67.9-44179.8-72.3167.7000112.1H66 K69 L70 E157 L158 E159 W163 E164 F165H66-L161 HydrophobicContact CB-CD2 3.86Å; K69-L161 HydrophobicContact CB-CD1 3.67Å; K69-L161 HydrophobicContact CD-CD1 4.32Å; L70-L161 HydrophobicContact CB-CB 4.11Å; L70-L161 HydrophobicContact CB-CD1 4.45Å; L70-L161 HydrophobicContact CD1-CB 3.99Å; L70-L161 HydrophobicContact CD2-CB 4.37Å; L70-L161 HydrophobicContact CG-CB 4.38Å; E157-L161 WeakPolarHBondContact O-CB 3.25Å; E157-L161 WeakPolarHBondContact O-CG 3.48Å; E157-L161 PolarHBondContact O-N 3.2Å; L158-L161 PolarHBondContact O-N 3.16Å; E159-L161 PolarHBondContact O-N 3.41Å; L161-W163 VanDerWaalsContact C-N 3.34Å; L161-E164 PolarHBondContact O-N 3.32Å; L161-F165 PolarHBondContact O-N 2.92Å; L161-F165 VanDerWaalsContact O-N 3.12Å
162L97.9Very high95Very high0 Ų060.7 Ų60.70%028%0.282CS..Hα-helixtrans-65.1-39.7174.4-174.764.5000110.9W33 L36 V47 V51 L70 L158 F165 L166W33-L162 HydrophobicContact CE3-CD2 4.32Å; L36-L162 HydrophobicContact CB-CD2 3.83Å; L36-L162 HydrophobicContact CD1-CD2 4.28Å; L36-L162 HydrophobicContact CD2-CB 3.96Å; L36-L162 HydrophobicContact CD2-CD2 3.7Å; L36-L162 HydrophobicContact CD2-CG 4.48Å; L36-L162 HydrophobicContact CG-CD2 4.15Å; V47-L162 HydrophobicContact CG1-CD1 4.01Å; V47-L162 HydrophobicContact CG1-CD2 4.2Å; V51-L162 HydrophobicContact CG2-CD1 4.08Å; L70-L162 HydrophobicContact CD1-CB 4.18Å; L70-L162 HydrophobicContact CD2-CD1 4.45Å; L158-L162 WeakPolarHBondContact O-CB 3.31Å; L158-L162 PolarHBondContact O-N 3.41Å; L162-F165 HydrophobicContact CD1-CD1 3.93Å; L162-F165 WeakPolarHBondContact O-CB 3.29Å; L162-F165 PolarHBondContact O-N 2.98Å; L162-L166 HydrophobicContact CD1-CG 4.27Å; L162-L166 HydrophobicContact CD2-CD1 4.43Å; L162-L166 HydrophobicContact CG-CD1 4.03Å; L162-L166 HydrophobicContact CG-CG 4.18Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.29Å; L162-L166 PolarHBondContact O-N 2.82Å
163W97.2Very high94.4Very high53 Ų5359.8 Ų59.820%0.20127%0.272CS..Hα-helixtrans-66.9-36.9178.8-163.9-112.8000112.7W33 E159 K160 L161 L166 I167W33-W163 AromaticContact CD1-CZ3 3.71Å; W33-W163 AromaticContact CD2-CE3 3.5Å; W33-W163 HydrophobicContact CD2-CE3 3.5Å; W33-W163 VanDerWaalsContact CD2-CE3 3.5Å; W33-W163 AromaticContact CD2-CZ3 3.66Å; W33-W163 HydrophobicContact CD2-CZ3 3.66Å; W33-W163 AromaticContact CE2-CE3 3.43Å; W33-W163 VanDerWaalsContact CE2-CE3 3.43Å; W33-W163 AromaticContact CE2-CZ3 3.48Å; W33-W163 VanDerWaalsContact CE2-CZ3 3.48Å; W33-W163 AromaticContact CE3-CE3 3.69Å; W33-W163 HydrophobicContact CE3-CE3 3.69Å; W33-W163 HydrophobicContact CE3-CZ3 4.31Å; W33-W163 HydrophobicContact CG-CE3 4.08Å; W33-W163 AromaticContact CG-CZ3 3.77Å; W33-W163 HydrophobicContact CG-CZ3 3.77Å; W33-W163 HydrophobicContact CH2-CB 3.9Å; W33-W163 HydrophobicContact CH2-CD2 4Å; W33-W163 AromaticContact CH2-CE3 3.76Å; W33-W163 HydrophobicContact CH2-CE3 3.76Å; W33-W163 HydrophobicContact CH2-CG 4.1Å; W33-W163 AromaticContact CZ2-CD2 3.97Å; W33-W163 HydrophobicContact CZ2-CD2 3.97Å; W33-W163 AromaticContact CZ2-CE3 3.55Å; W33-W163 HydrophobicContact CZ2-CE3 3.55Å; W33-W163 HydrophobicContact CZ2-CG 4.49Å; W33-W163 AromaticContact CZ2-CZ3 3.97Å; W33-W163 HydrophobicContact CZ2-CZ3 3.97Å; W33-W163 HydrophobicContact CZ3-CB 3.88Å; W33-W163 HydrophobicContact CZ3-CD2 4.34Å; W33-W163 AromaticContact CZ3-CE3 3.83Å; W33-W163 HydrophobicContact CZ3-CE3 3.83Å; W33-W163 HydrophobicContact CZ3-CG 4.41Å; W33-W163 AromaticContact NE1-CE3 3.99Å; W33-W163 AromaticContact NE1-CZ3 3.53Å; E159-W163 WeakPolarHBondContact O-CB 3.43Å; E159-W163 PolarHBondContact O-N 3.5Å; K160-W163 PolarHBondContact O-N 2.75Å; L161-W163 VanDerWaalsContact C-N 3.34Å; W163-L166 HydrophobicContact CE3-CD1 4.34Å; W163-L166 PolarHBondContact O-N 2.8Å; W163-I167 HydrophobicContact CG-CD1 4.36Å; W163-I167 VanDerWaalsContact O-CG1 3.32Å; W163-I167 WeakPolarHBondContact O-CG1 3.4Å; W163-I167 PolarHBondContact O-N 2.71Å
164E96.9Very high93.6Very high47 Ų4755.2 Ų55.222%0.2227%0.268CS..Hα-helixtrans-59.5-50.3169.1-178.8173.4-157.400110.6L62 H66 K160 L161 L166 I167 R168L62-E164 HydrophobicContact CD2-CG 4.16Å; H66-E164 IonicContact CE1-OE2 2.72Å; H66-E164 PolarHBondContact CE1-OE2 3.24Å; H66-E164 IonicContact CG-OE2 3.43Å; H66-E164 IonicContact ND1-OE2 2.7Å; H66-E164 PolarHBondContact ND1-OE2 3.48Å; K160-E164 PolarHBondContact O-N 2.78Å; L161-E164 PolarHBondContact O-N 3.32Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 2.9Å; E164-I167 PolarHBondContact O-N 2.88Å; E164-R168 HydrophobicContact CG-CG 4.18Å; E164-R168 WeakPolarHBondContact O-CG 3.16Å; E164-R168 PolarHBondContact O-N 3.46Å; E164-R168 IonicContact OE1-CZ 3.86Å; E164-R168 IonicContact OE1-NE 3.8Å; E164-R168 IonicContact OE1-NH2 3.66Å; E164-R168 PolarHBondContact OE1-NH2 2.95Å
165F96.7Very high92.8Very high0 Ų058.4 Ų58.40%029%0.291CS..Hα-helixtrans-54.6-47177.6168.9-93.5000112.5F50 V51 A54 L61 L62 L70 L161 L162 R168 L169F50-F165 AromaticContact CD1-CE1 3.9Å; F50-F165 HydrophobicContact CD1-CE1 3.9Å; F50-F165 AromaticContact CD1-CZ 3.82Å; F50-F165 HydrophobicContact CD1-CZ 3.82Å; F50-F165 AromaticContact CE1-CE1 3.8Å; F50-F165 HydrophobicContact CE1-CE1 3.8Å; F50-F165 AromaticContact CE1-CZ 3.77Å; F50-F165 HydrophobicContact CE1-CZ 3.77Å; V51-F165 HydrophobicContact CB-CE2 4.22Å; V51-F165 HydrophobicContact CB-CZ 4.27Å; V51-F165 HydrophobicContact CG1-CD2 4.21Å; V51-F165 HydrophobicContact CG1-CE2 4.16Å; V51-F165 HydrophobicContact CG2-CD1 3.97Å; V51-F165 HydrophobicContact CG2-CD2 4.28Å; V51-F165 HydrophobicContact CG2-CE1 3.79Å; V51-F165 HydrophobicContact CG2-CE2 4.09Å; V51-F165 HydrophobicContact CG2-CG 4.22Å; V51-F165 HydrophobicContact CG2-CZ 3.86Å; A54-F165 HydrophobicContact CB-CE2 3.82Å; A54-F165 HydrophobicContact CB-CZ 3.71Å; L61-F165 HydrophobicContact CD2-CD2 3.9Å; L61-F165 HydrophobicContact CD2-CE2 3.47Å; L61-F165 VanDerWaalsContact CD2-CE2 3.47Å; L61-F165 HydrophobicContact CD2-CZ 4.32Å; L61-F165 HydrophobicContact CG-CD2 4.3Å; L61-F165 HydrophobicContact CG-CE2 4.35Å; L62-F165 HydrophobicContact CD1-CB 4.13Å; L62-F165 HydrophobicContact CD1-CD2 4.02Å; L62-F165 HydrophobicContact CD2-CB 4.11Å; L62-F165 HydrophobicContact CG-CB 4.31Å; L62-F165 HydrophobicContact CG-CD2 4.2Å; L70-F165 HydrophobicContact CD2-CB 4.21Å; L161-F165 PolarHBondContact O-N 2.92Å; L161-F165 VanDerWaalsContact O-N 3.12Å; L162-F165 HydrophobicContact CD1-CD1 3.93Å; L162-F165 WeakPolarHBondContact O-CB 3.29Å; L162-F165 PolarHBondContact O-N 2.98Å; F165-R168 PolarHBondContact O-N 3.33Å; F165-L169 HydrophobicContact CE1-CD2 4.09Å; F165-L169 HydrophobicContact CZ-CD2 4.21Å; F165-L169 WeakPolarHBondContact O-CB 3.42Å; F165-L169 PolarHBondContact O-N 2.88Å
166L95.8Very high92Very high10 Ų1059.7 Ų59.75%0.05230%0.301CS..Hα-helixtrans-67.6-37.5-178.7-65.7179.6000112.6S29 L32 W33 L162 W163 E164 L169 D170S29-L166 WeakPolarHBondContact O-CD1 3.34Å; L32-L166 HydrophobicContact CD1-CD2 4.34Å; W33-L166 HydrophobicContact CB-CD1 3.81Å; W33-L166 HydrophobicContact CE3-CD1 4.39Å; W33-L166 HydrophobicContact CG-CD1 4.48Å; L162-L166 HydrophobicContact CD1-CG 4.27Å; L162-L166 HydrophobicContact CD2-CD1 4.43Å; L162-L166 HydrophobicContact CG-CD1 4.03Å; L162-L166 HydrophobicContact CG-CG 4.18Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.29Å; L162-L166 PolarHBondContact O-N 2.82Å; W163-L166 HydrophobicContact CE3-CD1 4.34Å; W163-L166 PolarHBondContact O-N 2.8Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 2.9Å; L166-L169 PolarHBondContact O-N 3.36Å; L166-D170 PolarHBondContact O-N 2.91Å
167I93.3Very high91.3Very high58 Ų5859.3 Ų59.330%0.29730%0.302SS..Hα-helixtrans-62.3-45.7172.4-72.1167.3000110.7W163 E164 L169 D170 Q171W163-I167 HydrophobicContact CG-CD1 4.36Å; W163-I167 VanDerWaalsContact O-CG1 3.32Å; W163-I167 WeakPolarHBondContact O-CG1 3.4Å; W163-I167 PolarHBondContact O-N 2.71Å; E164-I167 PolarHBondContact O-N 2.88Å; I167-L169 VanDerWaalsContact C-N 3.26Å; I167-L169 PolarHBondContact O-N 2.9Å; I167-D170 PolarHBondContact O-N 3Å; I167-Q171 VanDerWaalsContact O-CG 3.28Å; I167-Q171 WeakPolarHBondContact O-CG 3.43Å; I167-Q171 PolarHBondContact O-N 3.33Å; I167-Q171 VanDerWaalsContact O-N 3.09Å
168R93.4Very high90.6Very high93 Ų9360.8 Ų60.835%0.35131%0.312SS..Hα-helixtrans-64.9-33.1179.6-62.6-74.9-167.813217.1111.8L61 E164 F165L61-R168 HydrophobicContact CD1-CB 3.61Å; L61-R168 HydrophobicContact CG-CB 4.43Å; L61-R168 WeakPolarHBondContact O-CG 3.18Å; E164-R168 HydrophobicContact CG-CG 4.18Å; E164-R168 WeakPolarHBondContact O-CG 3.16Å; E164-R168 PolarHBondContact O-N 3.46Å; E164-R168 IonicContact OE1-CZ 3.86Å; E164-R168 IonicContact OE1-NE 3.8Å; E164-R168 IonicContact OE1-NH2 3.66Å; E164-R168 PolarHBondContact OE1-NH2 2.95Å; F165-R168 PolarHBondContact O-N 3.33Å
169L92.8Very high89.9Confident16 Ų1662.2 Ų62.28%0.08433%0.325CS..Hα-helixtrans-73.7-40.2177.5-174.261.5000112.6V25 F50 L61 F165 L166 I167 Q171 L172V25-L169 HydrophobicContact CG1-CD1 4.28Å; V25-L169 HydrophobicContact CG1-CD2 3.75Å; V25-L169 HydrophobicContact CG1-CG 3.92Å; F50-L169 HydrophobicContact CE1-CD2 3.64Å; F50-L169 HydrophobicContact CZ-CD2 3.88Å; L61-L169 HydrophobicContact CD1-CB 4.49Å; F165-L169 HydrophobicContact CE1-CD2 4.09Å; F165-L169 HydrophobicContact CZ-CD2 4.21Å; F165-L169 WeakPolarHBondContact O-CB 3.42Å; F165-L169 PolarHBondContact O-N 2.88Å; L166-L169 PolarHBondContact O-N 3.36Å; I167-L169 VanDerWaalsContact C-N 3.26Å; I167-L169 PolarHBondContact O-N 2.9Å; L169-Q171 VanDerWaalsContact C-N 3.29Å; L169-Q171 PolarHBondContact O-N 3.07Å; L169-L172 HydrophobicContact CD1-CD1 4.48Å; L169-L172 PolarHBondContact O-N 3.19Å
170D90.4Very high89.3Confident65 Ų6564.9 Ų64.935%0.34834%0.337SS..Hα-helixtrans-64.4-34.5174-160.366.6000111.1R26 L166 I167 L172 L173R26-D170 IonicContact CZ-OD1 3.88Å; R26-D170 IonicContact CZ-OD2 2.63Å; R26-D170 IonicContact NH1-OD1 3.58Å; R26-D170 PolarHBondContact NH1-OD1 3.22Å; R26-D170 IonicContact NH1-OD2 3.71Å; R26-D170 PolarHBondContact NH1-OD2 2.9Å; L166-D170 PolarHBondContact O-N 2.91Å; I167-D170 PolarHBondContact O-N 3Å; D170-L172 PolarHBondContact O-N 3Å; D170-L173 PolarHBondContact O-N 2.86Å
171Q88.9Confident88.7Confident128 Ų12861.8 Ų61.860%0.59833%0.328SS*.THydrogen-bonded Turntrans-63.3-23.1174.2-75.2170.5-2.100114.5I167 L169 L173I167-Q171 VanDerWaalsContact O-CG 3.28Å; I167-Q171 WeakPolarHBondContact O-CG 3.43Å; I167-Q171 PolarHBondContact O-N 3.33Å; I167-Q171 VanDerWaalsContact O-N 3.09Å; L169-Q171 VanDerWaalsContact C-N 3.29Å; L169-Q171 PolarHBondContact O-N 3.07Å; Q171-L173 VanDerWaalsContact C-N 3.28Å
172L85.3Confident88.1Confident86 Ų8664 Ų6445%0.4534%0.342SS..THydrogen-bonded Turntrans-81.3-8.8174.6-65.3174.3000113.1V58 L61 L169 D170 P174V58-L172 HydrophobicContact CB-CD1 4.27Å; V58-L172 HydrophobicContact CG1-CD1 3.89Å; V58-L172 HydrophobicContact CG2-CD1 4.09Å; L61-L172 HydrophobicContact CD1-CD1 3.83Å; L169-L172 HydrophobicContact CD1-CD1 4.48Å; L169-L172 PolarHBondContact O-N 3.19Å; D170-L172 PolarHBondContact O-N 3Å; L172-P174 WeakPolarHBondContact O-CD 3.47Å
173L81.5Confident87.5Confident69 Ų6968 Ų6836%0.36137%0.37SS..  trans-12656.2-170.6-60.2174.9000112V25 D170 Q171 V175V25-L173 HydrophobicContact CB-CD1 3.42Å; V25-L173 VanDerWaalsContact CB-CD1 3.42Å; V25-L173 HydrophobicContact CG1-CD1 3.59Å; V25-L173 HydrophobicContact CG2-CD1 3.79Å; D170-L173 PolarHBondContact O-N 2.86Å; Q171-L173 VanDerWaalsContact C-N 3.28Å; L173-V175 PolarHBondContact O-N 3.45Å
174P78.2Confident86.8Confident104 Ų10473.7 Ų73.768%0.67539%0.392SS*.PPolyproline II helixtrans-60.1129.9175.328.1-34.7000110L172 P176L172-P174 WeakPolarHBondContact O-CD 3.47Å; P174-P176 WeakPolarHBondContact O-CD 3.4Å
175V80.3Confident86.2Confident114 Ų11474.7 Ų74.769%0.69140%0.398SS*.PPolyproline II helixtrans-66.3121.1174.3-179.60000108.3L173L173-V175 PolarHBondContact O-N 3.45Å
176P78.3Confident85.1Confident47 Ų4778.3 Ų78.331%0.30542%0.423SS..PPolyproline II helixtrans-67.3141.5178.329.1-35.1000110.2P174 Q180 W184P174-P176 WeakPolarHBondContact O-CD 3.4Å; P176-Q180 HydrophobicContact CB-CB 4.02Å; P176-W184 HydrophobicContact CB-CE3 4.33Å; P176-W184 HydrophobicContact CB-CH2 3.84Å; P176-W184 HydrophobicContact CB-CZ3 3.56Å; P176-W184 HydrophobicContact CG-CZ3 3.85Å
177N82.3Confident84.2Confident89 Ų8985.5 Ų85.548%0.47646%0.461SS..PPolyproline II helixtrans-74.8171.7170.271.741.6000111.1A179 Q180 T181N177-A179 VanDerWaalsContact C-N 3.31Å; N177-A179 PolarHBondContact O-N 3.2Å; N177-A179 WeakPolarHBondContact OD1-CA 3.48Å; N177-A179 WeakPolarHBondContact OD1-CB 3.5Å; N177-A179 PolarHBondContact OD1-N 2.89Å; N177-Q180 PolarHBondContact ND2-OE1 3.49Å; N177-Q180 PolarHBondContact O-N 3Å; N177-Q180 PolarHBondContact OD1-N 2.98Å; N177-T181 WeakPolarHBondContact O-CB 3.47Å; N177-T181 PolarHBondContact O-N 3.42Å; N177-T181 PolarHBondContact O-OG1 2.83Å
178L83.1Confident83.3Confident131 Ų13184.5 Ų84.569%0.68646%0.461SS*.Hα-helixtrans-60.1-38.6-177.7-177.560.4000112.6T181 V182L178-T181 PolarHBondContact O-N 3.05Å; L178-V182 HydrophobicContact CD1-CG2 4.16Å; L178-V182 HydrophobicContact CG-CG2 4.45Å; L178-V182 WeakPolarHBondContact O-CB 3.46Å; L178-V182 VanDerWaalsContact O-CG2 3.29Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 3.34Å
179A82.6Confident82.5Confident36 Ų3684.7 Ų84.730%0.29848%0.475SS..Hα-helixtrans-64.3-44.5178.100000111.9N177 V182 S183 I270N177-A179 VanDerWaalsContact C-N 3.31Å; N177-A179 PolarHBondContact O-N 3.2Å; N177-A179 WeakPolarHBondContact OD1-CA 3.48Å; N177-A179 WeakPolarHBondContact OD1-CB 3.5Å; N177-A179 PolarHBondContact OD1-N 2.89Å; A179-V182 PolarHBondContact O-N 2.99Å; A179-S183 WeakPolarHBondContact O-CB 3.41Å; A179-S183 PolarHBondContact O-N 3.46Å; A179-I270 HydrophobicContact CB-CB 4.16Å; A179-I270 HydrophobicContact CB-CD1 4.35Å; A179-I270 HydrophobicContact CB-CG2 3.66Å
180Q84Confident81.8Confident81 Ų8187.5 Ų87.538%0.37949%0.494SS..Hα-helixtrans-62.3-44.6175.5-69.7172-59.100111P176 N177 S183 W184P176-Q180 HydrophobicContact CB-CB 4.02Å; N177-Q180 PolarHBondContact ND2-OE1 3.49Å; N177-Q180 PolarHBondContact O-N 3Å; N177-Q180 PolarHBondContact OD1-N 2.98Å; Q180-S183 WeakPolarHBondContact CA-OG 3.3Å; Q180-S183 PolarHBondContact O-N 3.27Å; Q180-S183 VanDerWaalsContact O-N 3.13Å; Q180-S183 PolarHBondContact O-OG 2.81Å; Q180-W184 HydrophobicContact CB-CZ2 4.38Å; Q180-W184 VanDerWaalsContact O-CG 3.24Å; Q180-W184 PolarHBondContact O-N 3.12Å; Q180-W184 VanDerWaalsContact O-N 3.12Å
181T85.9Confident81.2Confident51 Ų5186.8 Ų86.831%0.31349%0.492SS..Hα-helixtrans-62.1-46.3179.5-53.10000111.1N177 L178 S183 W184 L185N177-T181 WeakPolarHBondContact O-CB 3.47Å; N177-T181 PolarHBondContact O-N 3.42Å; N177-T181 PolarHBondContact O-OG1 2.83Å; L178-T181 PolarHBondContact O-N 3.05Å; T181-S183 VanDerWaalsContact C-N 3.3Å; T181-S183 PolarHBondContact O-N 2.97Å; T181-W184 PolarHBondContact O-N 2.97Å; T181-W184 VanDerWaalsContact O-N 3.12Å; T181-L185 WeakPolarHBondContact O-CG 3.44Å; T181-L185 PolarHBondContact O-N 3.43Å
182V85.3Confident80.8Confident65 Ų6584.7 Ų84.739%0.39448%0.484SS..Hα-helixtrans-61.4-37.4174170.50000111.5L178 A179 W184 L185 I270L178-V182 HydrophobicContact CD1-CG2 4.16Å; L178-V182 HydrophobicContact CG-CG2 4.45Å; L178-V182 WeakPolarHBondContact O-CB 3.46Å; L178-V182 VanDerWaalsContact O-CG2 3.29Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 3.34Å; A179-V182 PolarHBondContact O-N 2.99Å; V182-W184 PolarHBondContact O-N 3.36Å; V182-L185 PolarHBondContact O-N 2.89Å; V182-I270 HydrophobicContact CB-CD1 4.12Å; V182-I270 HydrophobicContact CG1-CD1 4Å; V182-I270 HydrophobicContact CG2-CD1 4.44Å
183S84.4Confident80.5Confident86 Ų8687.5 Ų87.560%0.60150%0.495SS*.Hα-helixtrans-71.3-12.2176.475.80000115.1A179 Q180 T181A179-S183 WeakPolarHBondContact O-CB 3.41Å; A179-S183 PolarHBondContact O-N 3.46Å; Q180-S183 WeakPolarHBondContact CA-OG 3.3Å; Q180-S183 PolarHBondContact O-N 3.27Å; Q180-S183 VanDerWaalsContact O-N 3.13Å; Q180-S183 PolarHBondContact O-OG 2.81Å; T181-S183 VanDerWaalsContact C-N 3.3Å; T181-S183 PolarHBondContact O-N 2.97Å
184W83.6Confident80.4Confident172 Ų17291 Ų9165%0.65251%0.51SS*.Hα-helixtrans-105.3-18.2178.2-60.9-14.7000113.1P176 Q180 T181 V182 C186P176-W184 HydrophobicContact CB-CE3 4.33Å; P176-W184 HydrophobicContact CB-CH2 3.84Å; P176-W184 HydrophobicContact CB-CZ3 3.56Å; P176-W184 HydrophobicContact CG-CZ3 3.85Å; Q180-W184 HydrophobicContact CB-CZ2 4.38Å; Q180-W184 VanDerWaalsContact O-CG 3.24Å; Q180-W184 PolarHBondContact O-N 3.12Å; Q180-W184 VanDerWaalsContact O-N 3.12Å; T181-W184 PolarHBondContact O-N 2.97Å; T181-W184 VanDerWaalsContact O-N 3.12Å; V182-W184 PolarHBondContact O-N 3.36Å; W184-C186 PolarHBondContact O-N 3.25Å
185L84.3Confident80.2Confident67 Ų6789 Ų8935%0.35150%0.498SS..SBendtrans-69.6122.1172.2-75.4169.7000109.6T181 V182 V191T181-L185 WeakPolarHBondContact O-CG 3.44Å; T181-L185 PolarHBondContact O-N 3.43Å; V182-L185 PolarHBondContact O-N 2.89Å; L185-V191 HydrophobicContact CD2-CG1 4.38Å
186C74.3Confident79.9Confident76 Ų7686.6 Ų86.651%0.51449%0.49SS..  trans-71.2142.4172.6-56.20000110.5W184 A188W184-C186 PolarHBondContact O-N 3.25Å; C186-A188 HydrophobicContact CB-CB 4.23Å; C186-A188 PolarHBondContact O-N 3.28Å
187D76.3Confident79.7Confident162 Ų16290.3 Ų90.387%0.86650%0.503SS*.SBendtrans-64.813.6171.8-59.7-58.5000114.3P189D187-P189 WeakPolarHBondContact O-CD 3.13Å
188A74.6Confident78.9Confident36 Ų3689.4 Ų89.430%0.29851%0.508SS..  trans-80.3119.5-178.600000110.3C186 P190 V191 L192C186-A188 HydrophobicContact CB-CB 4.23Å; C186-A188 PolarHBondContact O-N 3.28Å; A188-P190 VanDerWaalsContact C-CD 3.44Å; A188-V191 HydrophobicContact CB-CG2 4.08Å; A188-V191 PolarHBondContact O-N 3.44Å; A188-L192 PolarHBondContact O-N 2.87Å
189P75.7Confident78Confident97 Ų9786 Ų8663%0.6350%0.498SS*.Hα-helixtrans-46.6-44.3179.7-30.336.2000116.4D187 V191 L192 E193D187-P189 WeakPolarHBondContact O-CD 3.13Å; P189-V191 VanDerWaalsContact C-N 3.3Å; P189-V191 PolarHBondContact O-N 3.22Å; P189-L192 PolarHBondContact O-N 3.34Å; P189-E193 WeakPolarHBondContact O-CB 3.42Å; P189-E193 PolarHBondContact O-N 3.43Å
190P79.6Confident77.1Confident76 Ų7688 Ų8849%0.49451%0.507SS..Hα-helixtrans-65.2-29.8179.924.9-35.2000113.6A188 E193 E194A188-P190 VanDerWaalsContact C-CD 3.44Å; P190-E193 PolarHBondContact O-N 3.06Å; P190-E194 WeakPolarHBondContact O-CB 3.42Å; P190-E194 WeakPolarHBondContact O-CG 3.45Å; P190-E194 PolarHBondContact O-N 2.89Å
191V77.1Confident76.6Confident50 Ų5089.1 Ų89.130%0.30351%0.512SS..Hα-helixtrans-69.8-39.9176.8-1800000110.2L185 A188 P189 E194 C195L185-V191 HydrophobicContact CD2-CG1 4.38Å; A188-V191 HydrophobicContact CB-CG2 4.08Å; A188-V191 PolarHBondContact O-N 3.44Å; P189-V191 VanDerWaalsContact C-N 3.3Å; P189-V191 PolarHBondContact O-N 3.22Å; V191-E194 PolarHBondContact O-N 3.27Å; V191-C195 PolarHBondContact O-N 3.2Å; V191-C195 PolarHBondContact O-SG 3.44Å
192L79.9Confident76.2Confident83 Ų8390.6 Ų90.644%0.43552%0.523SS..Hα-helixtrans-69.6-35.8176-58.7177.1000111.8A188 P189 C195 A196A188-L192 PolarHBondContact O-N 2.87Å; P189-L192 PolarHBondContact O-N 3.34Å; L192-C195 PolarHBondContact O-N 3.47Å; L192-A196 WeakPolarHBondContact O-CB 3.42Å; L192-A196 PolarHBondContact O-N 3.09Å
193E79Confident76.1Confident145 Ų14593.8 Ų93.868%0.67853%0.533SS*.Hα-helixtrans-67.5-41.9173.3-170.9168.1-156.100111.8P189 P190 C195 A196 Q197P189-E193 WeakPolarHBondContact O-CB 3.42Å; P189-E193 PolarHBondContact O-N 3.43Å; P190-E193 PolarHBondContact O-N 3.06Å; E193-C195 PolarHBondContact O-N 2.91Å; E193-A196 PolarHBondContact O-N 3.25Å; E193-Q197 VanDerWaalsContact O-CB 3.29Å; E193-Q197 WeakPolarHBondContact O-CB 3.4Å; E193-Q197 PolarHBondContact O-N 3Å
194E79.4Confident76Confident143 Ų14390.7 Ų90.767%0.66851%0.51SS*.Hα-helixtrans-61.2-40.8171.1-78.8179.8-163.100112.2P190 V191 Q197 A198P190-E194 WeakPolarHBondContact O-CB 3.42Å; P190-E194 WeakPolarHBondContact O-CG 3.45Å; P190-E194 PolarHBondContact O-N 2.89Å; V191-E194 PolarHBondContact O-N 3.27Å; E194-Q197 PolarHBondContact O-N 3.08Å; E194-A198 WeakPolarHBondContact O-CB 3.41Å; E194-A198 PolarHBondContact O-N 2.78Å
195C74.6Confident76Confident63 Ų6385.9 Ų85.943%0.42650%0.497SS..Hα-helixtrans-63.7-42.5173.6-71.20000112.5V191 L192 E193 Q197 A198 A199V191-C195 PolarHBondContact O-N 3.2Å; V191-C195 PolarHBondContact O-SG 3.44Å; L192-C195 PolarHBondContact O-N 3.47Å; E193-C195 PolarHBondContact O-N 2.91Å; C195-Q197 VanDerWaalsContact C-N 3.34Å; C195-A198 PolarHBondContact O-N 3.34Å; C195-A199 PolarHBondContact O-N 3.26Å
196A73.9Confident76Confident63 Ų6387.9 Ų87.952%0.52150%0.503SS..Hα-helixtrans-64.4-39.8174.700000111.6L192 E193 A199L192-A196 WeakPolarHBondContact O-CB 3.42Å; L192-A196 PolarHBondContact O-N 3.09Å; E193-A196 PolarHBondContact O-N 3.25Å; A196-A199 WeakPolarHBondContact O-CB 3.38Å; A196-A199 PolarHBondContact O-N 2.94Å
197Q74.1Confident76.6Confident125 Ų12587.7 Ų87.758%0.58450%0.496SS*.Hα-helixtrans-69.7-35.2177.8-168.36128.100112.1E193 E194 C195 A199 T200E193-Q197 VanDerWaalsContact O-CB 3.29Å; E193-Q197 WeakPolarHBondContact O-CB 3.4Å; E193-Q197 PolarHBondContact O-N 3Å; E194-Q197 PolarHBondContact O-N 3.08Å; C195-Q197 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 2.95Å; Q197-T200 PolarHBondContact NE2-OG1 3.24Å; Q197-T200 PolarHBondContact O-N 3.38Å; Q197-T200 PolarHBondContact O-OG1 2.86Å
198A66Low77.1Confident70 Ų7081 Ų8158%0.57946%0.46SS*.Hα-helixtrans-61.2-30172.300000112.4E194 C195 T200E194-A198 WeakPolarHBondContact O-CB 3.41Å; E194-A198 PolarHBondContact O-N 2.78Å; C195-A198 PolarHBondContact O-N 3.34Å; A198-T200 VanDerWaalsContact C-N 3.3Å; A198-T200 PolarHBondContact O-N 3.44Å
199A64.7Low77.7Confident59 Ų5984.2 Ų84.249%0.48847%0.471SS..THydrogen-bonded Turntrans-76.3-6.9175.100000114.3C195 A196 Q197 Q201C195-A199 PolarHBondContact O-N 3.26Å; A196-A199 WeakPolarHBondContact O-CB 3.38Å; A196-A199 PolarHBondContact O-N 2.94Å; Q197-A199 PolarHBondContact O-N 2.95Å; A199-Q201 PolarHBondContact O-N 3.18Å
200T62.2Low78.2Confident77 Ų7785 Ų8547%0.47247%0.466SS..  trans-75.929.5-176.571.30000114.8Q197 A198 P202Q197-T200 PolarHBondContact NE2-OG1 3.24Å; Q197-T200 PolarHBondContact O-N 3.38Å; Q197-T200 PolarHBondContact O-OG1 2.86Å; A198-T200 VanDerWaalsContact C-N 3.3Å; A198-T200 PolarHBondContact O-N 3.44Å; T200-P202 WeakPolarHBondContact O-CD 3.37Å
201Q74.6Confident78.5Confident105 Ų10584.8 Ų84.849%0.49146%0.459SS..  trans-106.963.9164.6-61.9-166.954.600110.4A199 Q203 L204 L205A199-Q201 PolarHBondContact O-N 3.18Å; Q201-Q203 VanDerWaalsContact C-N 3.27Å; Q201-Q203 PolarHBondContact O-N 3.02Å; Q201-Q203 VanDerWaalsContact O-N 3.16Å; Q201-L204 HydrophobicContact CB-CB 3.91Å; Q201-L204 HydrophobicContact CB-CD2 4.37Å; Q201-L204 WeakPolarHBondContact O-CB 3.27Å; Q201-L204 PolarHBondContact O-N 3.39Å; Q201-L204 VanDerWaalsContact OE1-CD2 3.29Å; Q201-L205 PolarHBondContact O-N 3.45Å
202P77.3Confident78.9Confident83 Ų8384.3 Ų84.354%0.53945%0.453SS..Hα-helixtrans-63.1-29.9-167.626-36.4000113.6T200 K206T200-P202 WeakPolarHBondContact O-CD 3.37Å; P202-K206 WeakPolarHBondContact O-CB 3.17Å; P202-K206 PolarHBondContact O-N 3.01Å
203Q82.5Confident79.1Confident132 Ų13283.3 Ų83.362%0.61746%0.457SS*.Hα-helixtrans-70.5-36175.3-55.2-59.1-1500111.8Q201 I207Q201-Q203 VanDerWaalsContact C-N 3.27Å; Q201-Q203 PolarHBondContact O-N 3.02Å; Q201-Q203 VanDerWaalsContact O-N 3.16Å; Q203-I207 WeakPolarHBondContact O-CD1 3.43Å; Q203-I207 VanDerWaalsContact O-CG1 3.27Å; Q203-I207 WeakPolarHBondContact O-CG1 3.4Å; Q203-I207 PolarHBondContact O-N 3.3Å
204L82.8Confident79.4Confident20 Ų2082 Ų8211%0.10546%0.462CS..Hα-helixtrans-73.9-44179.1-163.769.1000110.9A16 A17 L20 Q201 K206 I207 L208A16-L204 HydrophobicContact CB-CD1 4Å; A16-L204 HydrophobicContact CB-CD2 3.63Å; A16-L204 HydrophobicContact CB-CG 4.48Å; A17-L204 HydrophobicContact CB-CD1 3.66Å; A17-L204 HydrophobicContact CB-CG 4.01Å; L20-L204 HydrophobicContact CD1-CB 4.5Å; L20-L204 HydrophobicContact CD1-CD2 3.67Å; L20-L204 HydrophobicContact CD1-CG 3.98Å; L20-L204 HydrophobicContact CG-CD2 4.19Å; Q201-L204 HydrophobicContact CB-CB 3.91Å; Q201-L204 HydrophobicContact CB-CD2 4.37Å; Q201-L204 WeakPolarHBondContact O-CB 3.27Å; Q201-L204 PolarHBondContact O-N 3.39Å; Q201-L204 VanDerWaalsContact OE1-CD2 3.29Å; L204-K206 VanDerWaalsContact C-N 3.32Å; L204-K206 PolarHBondContact O-N 3.05Å; L204-I207 PolarHBondContact O-N 3Å; L204-L208 PolarHBondContact O-N 3.49Å
205L83.4Confident79.5Confident71 Ų7179.5 Ų79.537%0.37245%0.453SS..Hα-helixtrans-59.9-42.3171.7-178.860.8000111.1Q201 L208 L209Q201-L205 PolarHBondContact O-N 3.45Å; L205-L208 PolarHBondContact O-N 2.99Å; L205-L209 HydrophobicContact CD1-CD1 4.01Å; L205-L209 HydrophobicContact CD1-CG 4.02Å; L205-L209 HydrophobicContact CG-CD1 3.86Å; L205-L209 HydrophobicContact CG-CG 4.29Å; L205-L209 WeakPolarHBondContact O-CB 3.46Å; L205-L209 VanDerWaalsContact O-CG 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.43Å; L205-L209 PolarHBondContact O-N 2.86Å
206K85.2Confident79.8Confident110 Ų11079.2 Ų79.248%0.47846%0.46SS..Hα-helixtrans-59.4-47.8173.8176.2-178.2173.9-174.30112.1P202 L204 L208 L209 Q210P202-K206 WeakPolarHBondContact O-CB 3.17Å; P202-K206 PolarHBondContact O-N 3.01Å; L204-K206 VanDerWaalsContact C-N 3.32Å; L204-K206 PolarHBondContact O-N 3.05Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 3.33Å; K206-L209 PolarHBondContact O-N 3.21Å; K206-Q210 HydrophobicContact CG-CG 4.37Å; K206-Q210 VanDerWaalsContact O-CB 3.31Å; K206-Q210 WeakPolarHBondContact O-CB 3.23Å; K206-Q210 VanDerWaalsContact O-CG 3.25Å; K206-Q210 WeakPolarHBondContact O-CG 3.46Å; K206-Q210 PolarHBondContact O-N 3.03Å
207I86.8Confident79.9Confident72 Ų7282.6 Ų82.637%0.36947%0.465SS..Hα-helixtrans-58.8-45.9176.8-71162000110.5L13 Q203 L204 H211L13-I207 HydrophobicContact CD1-CG2 3.91Å; Q203-I207 WeakPolarHBondContact O-CD1 3.43Å; Q203-I207 VanDerWaalsContact O-CG1 3.27Å; Q203-I207 WeakPolarHBondContact O-CG1 3.4Å; Q203-I207 PolarHBondContact O-N 3.3Å; L204-I207 PolarHBondContact O-N 3Å; I207-H211 VanDerWaalsContact O-CB 3.31Å; I207-H211 WeakPolarHBondContact O-CB 3.4Å; I207-H211 PolarHBondContact O-N 3.37Å
208L86Confident80Confident22 Ų2283.6 Ų83.612%0.11547%0.474CS..Hα-helixtrans-64.6-47.9179.5-172153.6000111.8L20 L21 L204 L205 K206 Q210 H211 Q212L20-L208 HydrophobicContact CB-CD1 3.7Å; L21-L208 HydrophobicContact CB-CD1 4.1Å; L204-L208 PolarHBondContact O-N 3.49Å; L205-L208 PolarHBondContact O-N 2.99Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 3.33Å; L208-Q210 PolarHBondContact O-N 3.3Å; L208-H211 WeakPolarHBondContact O-CB 3.42Å; L208-H211 PolarHBondContact O-N 3.08Å; L208-Q212 HydrophobicContact CD2-CG 4.04Å; L208-Q212 WeakPolarHBondContact O-CG 3.28Å; L208-Q212 PolarHBondContact O-N 3.28Å
209L86.3Confident80.2Confident102 Ų10288.7 Ų88.753%0.53449%0.486SS..Hα-helixtrans-63.5-40.9178.2-70.8173.9000112.1L205 K206 Q212 A213L205-L209 HydrophobicContact CD1-CD1 4.01Å; L205-L209 HydrophobicContact CD1-CG 4.02Å; L205-L209 HydrophobicContact CG-CD1 3.86Å; L205-L209 HydrophobicContact CG-CG 4.29Å; L205-L209 WeakPolarHBondContact O-CB 3.46Å; L205-L209 VanDerWaalsContact O-CG 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.43Å; L205-L209 PolarHBondContact O-N 2.86Å; K206-L209 PolarHBondContact O-N 3.21Å; L209-Q212 PolarHBondContact O-N 2.94Å; L209-A213 VanDerWaalsContact O-CB 3.3Å; L209-A213 WeakPolarHBondContact O-CB 3.48Å; L209-A213 PolarHBondContact O-N 2.8Å
210Q87.1Confident80.6Confident113 Ų11391.2 Ų91.253%0.52850%0.5SS..Hα-helixtrans-64.1-41174.6-72.4-175.3-56.400111.5K206 L208 A213 C214K206-Q210 HydrophobicContact CG-CG 4.37Å; K206-Q210 VanDerWaalsContact O-CB 3.31Å; K206-Q210 WeakPolarHBondContact O-CB 3.23Å; K206-Q210 VanDerWaalsContact O-CG 3.25Å; K206-Q210 WeakPolarHBondContact O-CG 3.46Å; K206-Q210 PolarHBondContact O-N 3.03Å; L208-Q210 PolarHBondContact O-N 3.3Å; Q210-A213 PolarHBondContact O-N 3.12Å; Q210-C214 WeakPolarHBondContact O-CB 3.38Å; Q210-C214 PolarHBondContact O-N 3.15Å; Q210-C214 PolarHBondContact O-SG 2.97Å
211H85.9Confident80.9Confident72 Ų7291.9 Ų91.933%0.33351%0.513SS..Hα-helixtrans-60.9-49.8174.3-178-83.2000111.9L13 I207 L208 A213 C214 L215L13-H211 HydrophobicContact CD1-CB 4.43Å; I207-H211 VanDerWaalsContact O-CB 3.31Å; I207-H211 WeakPolarHBondContact O-CB 3.4Å; I207-H211 PolarHBondContact O-N 3.37Å; L208-H211 WeakPolarHBondContact O-CB 3.42Å; L208-H211 PolarHBondContact O-N 3.08Å; H211-A213 PolarHBondContact O-N 3.07Å; H211-C214 PolarHBondContact O-N 3.16Å; H211-L215 WeakPolarHBondContact O-CG 3.42Å; H211-L215 PolarHBondContact O-N 2.89Å; H211-L215 VanDerWaalsContact O-N 3.12Å
212Q84.6Confident80.2Confident41 Ų4191.1 Ų91.119%0.19253%0.525CS..Hα-helixtrans-65.2-36.4179.1-63-54.9-36.800112.9L208 L209 L215 G216 H217L208-Q212 HydrophobicContact CD2-CG 4.04Å; L208-Q212 WeakPolarHBondContact O-CG 3.28Å; L208-Q212 PolarHBondContact O-N 3.28Å; L209-Q212 PolarHBondContact O-N 2.94Å; Q212-L215 PolarHBondContact O-N 3.48Å; Q212-G216 PolarHBondContact O-N 3.28Å; Q212-H217 PolarHBondContact O-N 2.96Å; Q212-H217 PolarHBondContact OE1-CE1 3.35Å; Q212-H217 PolarHBondContact OE1-ND1 2.97Å
213A85.6Confident79.5Confident61 Ų6191 Ų9150%0.50453%0.526SS..Hα-helixtrans-64.9-39.917300000112.1L209 Q210 H211 L215 G216L209-A213 VanDerWaalsContact O-CB 3.3Å; L209-A213 WeakPolarHBondContact O-CB 3.48Å; L209-A213 PolarHBondContact O-N 2.8Å; Q210-A213 PolarHBondContact O-N 3.12Å; H211-A213 PolarHBondContact O-N 3.07Å; A213-L215 VanDerWaalsContact C-N 3.26Å; A213-L215 PolarHBondContact O-N 2.89Å; A213-G216 PolarHBondContact O-N 2.84Å; A213-G216 VanDerWaalsContact O-N 3.09Å
214C84.5Confident79.2Confident117 Ų11789.6 Ų89.679%0.79152%0.522SS*.Hα-helixtrans-67.1-22.6174.6-73.70000114Q210 H211 G216Q210-C214 WeakPolarHBondContact O-CB 3.38Å; Q210-C214 PolarHBondContact O-N 3.15Å; Q210-C214 PolarHBondContact O-SG 2.97Å; H211-C214 PolarHBondContact O-N 3.16Å; C214-G216 VanDerWaalsContact C-N 3.29Å
215L82.5Confident79.1Confident92 Ų9292.2 Ų92.248%0.48254%0.54SS..THydrogen-bonded Turntrans-79.6-7.9171.6-66.7178.3000113.5H211 Q212 A213 H217H211-L215 WeakPolarHBondContact O-CG 3.42Å; H211-L215 PolarHBondContact O-N 2.89Å; H211-L215 VanDerWaalsContact O-N 3.12Å; Q212-L215 PolarHBondContact O-N 3.48Å; A213-L215 VanDerWaalsContact C-N 3.26Å; A213-L215 PolarHBondContact O-N 2.89Å; L215-H217 VanDerWaalsContact C-N 3.31Å; L215-H217 PolarHBondContact O-N 2.72Å
216G79.6Confident78.8Confident56 Ų5695.3 Ų95.358%0.57757%0.565SS**THydrogen-bonded Turntrans74.516.8-179.300000114.6Q212 A213 C214 L218Q212-G216 PolarHBondContact O-N 3.28Å; A213-G216 PolarHBondContact O-N 2.84Å; A213-G216 VanDerWaalsContact O-N 3.09Å; C214-G216 VanDerWaalsContact C-N 3.29Å; G216-L218 PolarHBondContact O-N 3.48Å; G216-L218 VanDerWaalsContact O-N 3.13Å
217H77.2Confident78.6Confident134 Ų13495 Ų9562%0.6257%0.569SS**  trans-71.51.4179.8-65.3164.5000114.8Q212 L215Q212-H217 PolarHBondContact O-N 2.96Å; Q212-H217 PolarHBondContact OE1-CE1 3.35Å; Q212-H217 PolarHBondContact OE1-ND1 2.97Å; L215-H217 VanDerWaalsContact C-N 3.31Å; L215-H217 PolarHBondContact O-N 2.72Å
218L74.8Confident78.5Confident146 Ų14698.2 Ų98.276%0.76458%0.584SS**SBendtrans-122.3113.4178.8-177.965.3000109.2G216G216-L218 PolarHBondContact O-N 3.48Å; G216-L218 VanDerWaalsContact O-N 3.13Å
219E70.5Confident78.5Confident177 Ų17798.3 Ų98.383%0.82759%0.59SS**  trans-71.3163.4172.7-63-171.5152.400111.3A221E219-A221 PolarHBondContact O-N 2.98Å
220S74.4Confident78.6Confident112 Ų11297.6 Ų97.678%0.78359%0.586SS**  trans-62.8137.6176.9-169.20000110.5A222S220-A222 PolarHBondContact O-N 3.1Å
221A67.1Low78.5Confident92 Ų9296.2 Ų96.276%0.7659%0.589SS**SBendtrans-74.140.6-17100000114.8E219 S223E219-A221 PolarHBondContact O-N 2.98Å; A221-S223 VanDerWaalsContact C-N 3.34Å; A221-S223 PolarHBondContact O-N 3.02Å
222A59.5Low78.8Confident88 Ų8897.8 Ų97.873%0.72760%0.599SS**THydrogen-bonded Turntrans-83.5-2.3-173.600000114.7S220 L224S220-A222 PolarHBondContact O-N 3.1Å; A222-L224 VanDerWaalsContact C-N 3.35Å; A222-L224 PolarHBondContact O-N 2.83Å
223S63.9Low79Confident81 Ų81101.2 Ų101.257%0.56662%0.618SS**THydrogen-bonded Turntrans-80.9-5.7-175.453.80000115.2A221A221-S223 VanDerWaalsContact C-N 3.34Å; A221-S223 PolarHBondContact O-N 3.02Å
224L75.8Confident79.1Confident103 Ų103101.1 Ų101.154%0.53962%0.617SS.*SBendtrans-110.6137.3177.3-64.9-179.6000111.7A222 I273A222-L224 VanDerWaalsContact C-N 3.35Å; A222-L224 PolarHBondContact O-N 2.83Å; L224-I273 HydrophobicContact CD2-CD1 4.27Å
225P80.8Confident79.3Confident75 Ų7599.1 Ų99.149%0.48761%0.605SS.*  trans-58.1142.1174.1-25.935.4000112.5N227 M228P225-N227 VanDerWaalsContact CB-OD1 3.23Å; P225-N227 WeakPolarHBondContact CB-OD1 3.32Å; P225-N227 PolarHBondContact O-N 2.79Å; P225-N227 VanDerWaalsContact O-N 3.12Å; P225-M228 WeakPolarHBondContact O-CB 3.32Å; P225-M228 PolarHBondContact O-N 2.91Å
226P77.1Confident79.5Confident136 Ų136101.5 Ų101.588%0.88362%0.617SS**THydrogen-bonded Turntrans-68.9-12.5-174.828.2-36.1000114.6
227N81.4Confident79.9Confident104 Ų104103.5 Ų103.556%0.55662%0.623SS**THydrogen-bonded Turntrans-95.33.1173.361.9-30000113.3P225 G229 D230P225-N227 VanDerWaalsContact CB-OD1 3.23Å; P225-N227 WeakPolarHBondContact CB-OD1 3.32Å; P225-N227 PolarHBondContact O-N 2.79Å; P225-N227 VanDerWaalsContact O-N 3.12Å; N227-G229 PolarHBondContact O-N 2.82Å; N227-D230 WeakPolarHBondContact CA-OD2 3.48Å; N227-D230 WeakPolarHBondContact CB-OD2 3.4Å; N227-D230 PolarHBondContact O-N 3.39Å
228M84.5Confident80.3Confident139 Ų139103 Ų10369%0.68562%0.624SS**THydrogen-bonded Turntrans-70.797.8178-175.361.3165.500110.1P225P225-M228 WeakPolarHBondContact O-CB 3.32Å; P225-M228 PolarHBondContact O-N 2.91Å
229G84.6Confident80.5Confident24 Ų24100.3 Ų100.325%0.24762%0.615CS.*THydrogen-bonded Turntrans120.5-3.1-178.100000115N227 S231 I232 L233N227-G229 PolarHBondContact O-N 2.82Å; G229-S231 PolarHBondContact O-N 3.38Å; G229-S231 VanDerWaalsContact O-N 3.11Å; G229-I232 WeakPolarHBondContact O-CA 3.22Å; G229-I232 VanDerWaalsContact O-CB 3.26Å; G229-I232 WeakPolarHBondContact O-CB 3.42Å; G229-I232 PolarHBondContact O-N 3.17Å; G229-L233 PolarHBondContact O-N 3.11Å
230D88.8Confident80.2Confident86 Ų8699 Ų9946%0.4662%0.622SS.*Hα-helixtrans-55.7-31.4177.6-72.7-14.2000112.8N227 I232 L233 A234N227-D230 WeakPolarHBondContact CA-OD2 3.48Å; N227-D230 WeakPolarHBondContact CB-OD2 3.4Å; N227-D230 PolarHBondContact O-N 3.39Å; D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 PolarHBondContact O-N 3.24Å; D230-L233 PolarHBondContact O-N 2.88Å; D230-A234 WeakPolarHBondContact O-CB 3.23Å; D230-A234 PolarHBondContact O-N 2.9Å
231S86.6Confident79.6Confident84 Ų8497.1 Ų97.159%0.58761%0.609SS**Hα-helixtrans-62.9-29.1174.255.40000113.5G229 S235G229-S231 PolarHBondContact O-N 3.38Å; G229-S231 VanDerWaalsContact O-N 3.11Å; S231-S235 VanDerWaalsContact O-CB 3.27Å; S231-S235 WeakPolarHBondContact O-CB 3.43Å; S231-S235 PolarHBondContact O-N 3.06Å; S231-S235 PolarHBondContact O-OG 3Å
232I90.5Very high79.1Confident106 Ų10697 Ų9754%0.54462%0.616SS.*Hα-helixtrans-70.5-47.8174.6-53.4174000109G229 D230 A234 S235 L236G229-I232 WeakPolarHBondContact O-CA 3.22Å; G229-I232 VanDerWaalsContact O-CB 3.26Å; G229-I232 WeakPolarHBondContact O-CB 3.42Å; G229-I232 PolarHBondContact O-N 3.17Å; D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 PolarHBondContact O-N 3.24Å; I232-A234 PolarHBondContact O-N 3.38Å; I232-S235 PolarHBondContact O-N 2.94Å; I232-L236 HydrophobicContact CG2-CD1 3.9Å; I232-L236 HydrophobicContact CG2-CG 4.36Å; I232-L236 WeakPolarHBondContact O-CB 3.28Å; I232-L236 VanDerWaalsContact O-CG 3.32Å; I232-L236 WeakPolarHBondContact O-CG 3.37Å; I232-L236 PolarHBondContact O-N 3.21Å
233L88.8Confident78.8Confident112 Ų112100.8 Ų100.859%0.58662%0.616SS**Hα-helixtrans-61.8-43.6177.6-59.9179.2000111.5G229 D230 S237G229-L233 PolarHBondContact O-N 3.11Å; D230-L233 PolarHBondContact O-N 2.88Å; L233-S237 WeakPolarHBondContact O-CB 3.48Å; L233-S237 PolarHBondContact O-N 3.46Å; L233-S237 PolarHBondContact O-OG 3.4Å
234A87.6Confident78.2Confident59 Ų59102.9 Ų102.949%0.48863%0.626SS.*Hα-helixtrans-61.4-43.7174.800000112D230 I232 S237D230-A234 WeakPolarHBondContact O-CB 3.23Å; D230-A234 PolarHBondContact O-N 2.9Å; I232-A234 PolarHBondContact O-N 3.38Å; A234-S237 PolarHBondContact O-N 2.93Å
235S88.6Confident76.8Confident76 Ų76103.3 Ų103.353%0.53163%0.634SS.*Hα-helixtrans-68-41179.5-59.40000112.7S231 I232 S237 L238S231-S235 VanDerWaalsContact O-CB 3.27Å; S231-S235 WeakPolarHBondContact O-CB 3.43Å; S231-S235 PolarHBondContact O-N 3.06Å; S231-S235 PolarHBondContact O-OG 3Å; I232-S235 PolarHBondContact O-N 2.94Å; S235-S237 PolarHBondContact O-N 3.27Å; S235-L238 WeakPolarHBondContact O-CB 3.25Å; S235-L238 PolarHBondContact O-N 3.4Å
236L87.4Confident75.1Confident141 Ų141104.1 Ų104.174%0.73864%0.642SS**Hα-helixtrans-70.6-17.9175.9-68.5174.7000113I232 L238I232-L236 HydrophobicContact CG2-CD1 3.9Å; I232-L236 HydrophobicContact CG2-CG 4.36Å; I232-L236 WeakPolarHBondContact O-CB 3.28Å; I232-L236 VanDerWaalsContact O-CG 3.32Å; I232-L236 WeakPolarHBondContact O-CG 3.37Å; I232-L236 PolarHBondContact O-N 3.21Å; L236-L238 VanDerWaalsContact C-N 3.33Å
237S88.2Confident73.5Confident99 Ų99105.1 Ų105.169%0.69264%0.64SS**THydrogen-bonded Turntrans-84.5-4.3174.4-57.80000113.5L233 A234 S235L233-S237 WeakPolarHBondContact O-CB 3.48Å; L233-S237 PolarHBondContact O-N 3.46Å; L233-S237 PolarHBondContact O-OG 3.4Å; A234-S237 PolarHBondContact O-N 2.93Å; S235-S237 PolarHBondContact O-N 3.27Å
238L84.8Confident71.7Confident123 Ų123108.7 Ų108.764%0.64465%0.653SS**SBendtrans-76.5135.9176.3-61.9177000110.8S235 L236S235-L238 WeakPolarHBondContact O-CB 3.25Å; S235-L238 PolarHBondContact O-N 3.4Å; L236-L238 VanDerWaalsContact C-N 3.33Å
239P79.6Confident69.5Low90 Ų90107 Ų10758%0.58466%0.655SS**  trans-64.6147.7174.627.7-34.3000110.8S241P239-S241 PolarHBondContact O-N 3.38Å
240P65.3Low67.1Low150 Ų150112.1 Ų112.197%0.97468%0.682SS**SBendtrans-72.524.5-175.631.1-37.5000114.5
241S60.5Low64.7Low72 Ų72112.5 Ų112.550%0.50370%0.697SS.*SBendtrans-138.5131172.2-1670000108.8P239 K243P239-S241 PolarHBondContact O-N 3.38Å; S241-K243 PolarHBondContact O-N 3.28Å
242G57.3Low62.2Low89 Ų89117.7 Ų117.792%0.91871%0.712SS**SBendtrans-70.648.2175.800000113.6
243K52.4Low59.8Low168 Ų168123.9 Ų123.973%0.7373%0.728SS**  trans-124.483.6175.7-73.1-174.1176.2-177.80108.9S241S241-K243 PolarHBondContact O-N 3.28Å
244V50.9Low57.1Low125 Ų125125 Ų12576%0.75874%0.74SS**  trans-56.4135152.8-179.40000107.1S246V244-S246 VanDerWaalsContact C-N 3.35Å; V244-S246 PolarHBondContact O-N 3.28Å
245P46.7Very low54.6Low112 Ų112129.3 Ų129.373%0.72776%0.755SS**  trans-5999.8164.9-21.834.1000108.7D247P245-D247 PolarHBondContact O-N 2.78Å
246S46.5Very low51.9Low91 Ų91131.9 Ų131.964%0.63677%0.771SS**  trans-77.874.2-178.3172.10000109.6V244 Q248V244-S246 VanDerWaalsContact C-N 3.35Å; V244-S246 PolarHBondContact O-N 3.28Å; S246-Q248 WeakPolarHBondContact O-CG 3.31Å; S246-Q248 PolarHBondContact O-N 3.02Å
247D43.1Very low49.3Very low158 Ų158130.8 Ų130.885%0.84578%0.775SS**  trans-60.8105.1164.6-76.5-26.8000108.2P245 S249P245-D247 PolarHBondContact O-N 2.78Å; D247-S249 PolarHBondContact O-N 3.37Å
248Q42.3Very low47.3Very low178 Ų178137.3 Ų137.383%0.83279%0.785SS**  trans-75.8124.2-169.3-63.9-177.70.500110.5S246S246-Q248 WeakPolarHBondContact O-CG 3.31Å; S246-Q248 PolarHBondContact O-N 3.02Å
249S40.2Very low45.1Very low105 Ų105136.8 Ų136.873%0.73479%0.789SS**  trans-132.3111.4151.3-171.70000110.8D247D247-S249 PolarHBondContact O-N 3.37Å
250T32.9Very low43.6Very low131 Ų131135.9 Ų135.980%0.80480%0.796SS**  trans58.599.4145.9-37.60000117.7
251A39.3Very low42.1Very low94 Ų94132.8 Ų132.878%0.77778%0.783SS**  trans-44.4146.5173.900000117.2
252E32.7Very low41.3Very low192 Ų192135.5 Ų135.590%0.89780%0.797SS**  trans-138.5139.3134.8-135.5171.5-142.100110
253R40.3Very low40.4Very low237 Ų237137 Ų13789%0.89479%0.788SS**  trans-101.1117.8-179.2-76.9-175.7177.5-178.50.3110.1
254T33.2Very low39.9Very low135 Ų135134.1 Ų134.183%0.82879%0.786SS**  trans-126.2146.6158.7-62.70000109.8
255N34Very low39.4Very low150 Ų150136 Ų13680%0.80279%0.792SS**  trans-78.9157.7-158.5-64.8-53.5000114.9
256C31.5Very low39.4Very low129 Ų129137 Ų13787%0.87280%0.795SS**  trans-61.7138.1177.9-52.90000112.7
257S33.8Very low39Very low119 Ų119138.1 Ų138.183%0.83280%0.798SS**  trans-133.3128.4153.1-79.40000108.4
258R45.7Very low38.9Very low236 Ų236134.7 Ų134.789%0.89179%0.785SS**  trans-111.1109.9-169.4174.5-171.2177.5-169.70.6110.4
259P38.4Very low39.2Very low112 Ų112132.9 Ų132.973%0.72779%0.785SS**  trans-76.9125.2160.9-7.325000109A261P259-A261 PolarHBondContact O-N 3.46Å
260G47.9Very low39.7Very low71 Ų71132 Ų13273%0.73277%0.772SS**  trans-74.875.8159.800000109T262G260-T262 PolarHBondContact O-N 2.87Å
261A34.8Very low40Very low84 Ų84128 Ų12869%0.69476%0.756SS**  trans-73.492.217900000110P259 T263P259-A261 PolarHBondContact O-N 3.46Å; A261-T263 PolarHBondContact O-N 3.22Å; A261-T263 VanDerWaalsContact O-N 3.1Å
262T44.3Very low40Very low130 Ų130131.3 Ų131.380%0.79876%0.76SS**  trans-53.5114.6153.8-49.10000106.4G260 P264G260-T262 PolarHBondContact O-N 2.87Å; T262-P264 VanDerWaalsContact O-CD 3.25Å; T262-P264 WeakPolarHBondContact O-CD 3.31Å
263T38.7Very low40.5Very low121 Ų121128.2 Ų128.274%0.74275%0.748SS**  trans-58115.6175.643.10000107.9A261 L265A261-T263 PolarHBondContact O-N 3.22Å; A261-T263 VanDerWaalsContact O-N 3.1Å; T263-L265 PolarHBondContact O-N 3.12Å
264P40.7Very low40.2Very low106 Ų106121 Ų12169%0.68873%0.734SS**  trans-61.3131.8171.127.4-32.5000106.9T262 V266T262-P264 VanDerWaalsContact O-CD 3.25Å; T262-P264 WeakPolarHBondContact O-CD 3.31Å; P264-V266 PolarHBondContact O-N 3.47Å
265L40.5Very low40.6Very low166 Ų166122.3 Ų122.387%0.86974%0.736SS**  trans-55.6116.6166-72.7165.2000106.2T263 T267T263-L265 PolarHBondContact O-N 3.12Å; L265-T267 VanDerWaalsContact C-N 3.3Å; L265-T267 PolarHBondContact O-N 2.97Å
266V47.3Very low40.8Very low133 Ų133119 Ų11981%0.80673%0.729SS**  trans-70.994.2-178.6178.10000106.7P264 P268P264-V266 PolarHBondContact O-N 3.47Å; V266-P268 WeakPolarHBondContact O-CD 3.47Å
267T37.6Very low41.3Very low114 Ų114120.3 Ų120.370%0.69973%0.728SS**  trans-53.3116.4174.9-45.80000107.6L265 V269L265-T267 VanDerWaalsContact C-N 3.3Å; L265-T267 PolarHBondContact O-N 2.97Å; T267-V269 PolarHBondContact O-N 2.87Å; T267-V269 VanDerWaalsContact O-N 3.13Å
268P41.8Very low41.4Very low86 Ų86121 Ų12156%0.55873%0.727SS**  trans-63123-178.225-32.9000108V266 I270V266-P268 WeakPolarHBondContact O-CD 3.47Å; P268-I270 HydrophobicContact CB-CD1 4.46Å; P268-I270 HydrophobicContact CB-CG1 3.98Å; P268-I270 HydrophobicContact CG-CD1 4.23Å; P268-I270 HydrophobicContact CG-CG1 4.18Å; P268-I270 PolarHBondContact O-N 3.43Å
269V48Very low40.8Very low139 Ų139115.5 Ų115.584%0.84272%0.722SS**  trans-75.379.5173.9-177.20000107.3T267 G271T267-V269 PolarHBondContact O-N 2.87Å; T267-V269 VanDerWaalsContact O-N 3.13Å; V269-G271 PolarHBondContact O-N 3.01Å
270I51.5Low40.4Very low88 Ų88115.2 Ų115.245%0.45173%0.728SS.*  trans-78.350.9171-38.5179000108.8A179 V182 P268A179-I270 HydrophobicContact CB-CB 4.16Å; A179-I270 HydrophobicContact CB-CD1 4.35Å; A179-I270 HydrophobicContact CB-CG2 3.66Å; V182-I270 HydrophobicContact CB-CD1 4.12Å; V182-I270 HydrophobicContact CG1-CD1 4Å; V182-I270 HydrophobicContact CG2-CD1 4.44Å; P268-I270 HydrophobicContact CB-CD1 4.46Å; P268-I270 HydrophobicContact CB-CG1 3.98Å; P268-I270 HydrophobicContact CG-CD1 4.23Å; P268-I270 HydrophobicContact CG-CG1 4.18Å; P268-I270 PolarHBondContact O-N 3.43Å
271G37.2Very low39.5Very low46 Ų46122.9 Ų122.947%0.47474%0.735SS.*  trans-100.8137.3175.100000109.5V269 I273V269-G271 PolarHBondContact O-N 3.01Å; G271-I273 PolarHBondContact O-N 3.49Å
272L39.9Very low39.3Very low164 Ų164127.1 Ų127.186%0.85974%0.741SS**  trans-62.9123.2179.1-61.4169.4000110S274L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.34Å
273I43.9Very low38.7Very low126 Ų126130.6 Ų130.665%0.64675%0.745SS**  trans-75.788.3163.2-53.3175.9000106.1L224 G271L224-I273 HydrophobicContact CD2-CD1 4.27Å; G271-I273 PolarHBondContact O-N 3.49Å
274S34.7Very low38.1Very low87 Ų87130.7 Ų130.761%0.60875%0.745SS**  trans-77.9136.7172.2-72.50000110.7L272 A276L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.34Å; S274-A276 PolarHBondContact O-N 3.05Å
275D40.6Very low37.7Very low162 Ų162130.1 Ų130.187%0.86674%0.744SS**THydrogen-bonded Turntrans-70.747.5179.2-58.2-81.1000114.3
276A38.7Very low37.2Very low80 Ų80131.6 Ų131.666%0.66175%0.746SS**THydrogen-bonded Turntrans-96.2-28.6-176.700000114S274S274-A276 PolarHBondContact O-N 3.05Å
277D42Very low36.1Very low157 Ų157129 Ų12984%0.8475%0.746SS**  trans-125.582.5-169.5-84-59.4000113.3
278V34.9Very low35.5Very low134 Ų134129.2 Ų129.281%0.81275%0.753SS**  trans-132.3120.5157-178.20000108.7A280V278-A280 PolarHBondContact O-N 3.06Å
279P33.5Very low34.8Very low120 Ų120132.3 Ų132.378%0.77976%0.76SS**  trans-70.9131.9-177.528-34.1000111.6R281P279-R281 PolarHBondContact O-N 2.63Å
280A29.3Very low33.9Very low105 Ų105133.3 Ų133.387%0.86875%0.752SS**  trans-63.5118.2178.600000111.3V278V278-A280 PolarHBondContact O-N 3.06Å
281R28.9Very low32.8Very low232 Ų232132.9 Ų132.988%0.87576%0.757SS**  trans-91.6113.3175.3-174.9174.5-179.1172.52.5110.7P279P279-R281 PolarHBondContact O-N 2.63Å
282E31.7Very low32.2Very low174 Ų174138 Ų13881%0.81377%0.774SS**  trans-56144.4175.2-58.4-178.9136.600112.6
283K30.8Very low31.7Very low202 Ų202135.3 Ų135.388%0.87877%0.769SS**  trans-136.3119159.7-76.6-170.7176.9-179.60109.4
284T26.7Very low31Very low123 Ų123137 Ų13776%0.75577%0.772SS**  trans-93.8167.317651.20000111.7
285S32Very low30.6Very low94 Ų94138.2 Ų138.266%0.65777%0.771SS**  trans96.6117153-47.90000119.2
286Q29.8Very low30.1Very low198 Ų198135.9 Ų135.993%0.92577%0.767SS**  trans66.4135.9144.9-61.2169.1-16.200119.1
287G24.1Very low29.6Very low78 Ų78136.4 Ų136.480%0.80477%0.772SS**  cis133.5107.3-1700000115.2
288S26.7Very low28.9Very low119 Ų119135.3 Ų135.383%0.83277%0.766SS**  trans-160.2129.9164.559.50000114.1
289E25.8Very low28.6Very low151 Ų151136.2 Ų136.271%0.70676%0.761SS**  trans-24164.9151.2-64-164.9140.300118.5
290K29Very low28.4Very low159 Ų159139.2 Ų139.269%0.69177%0.765SS**  cis-169.2170.86-113.7161.8-175.2149.50106.6
291S29.5Very low28.4Very low79 Ų79145.7 Ų145.755%0.55277%0.767SS**  cis179.8169.3-23.149.20000110.2
292N24.3Very low28.8Very low153 Ų153141.6 Ų141.682%0.81876%0.762SS**  trans75.9144.1165.9-54.4-20.1000116.9
293S30.1Very low29.6Very low108 Ų108138.6 Ų138.676%0.75576%0.758SS**  cis-169.7-168.4-12.655.30000108.7
294K28.2Very low29.4Very low162 Ų162136 Ų13670%0.70475%0.754SS**  cis-162.2-176.19.8-140.4-151.3171.4-156.30111.4
295D25.9Very low29.6Very low113 Ų113133.6 Ų133.660%0.60475%0.746SS**  trans-2.7153.9154.5-60.717.3000121.1
296S30.2Very low29.4Very low112 Ų112138 Ų13878%0.78375%0.754SS**  cis-163.4175.712.2-130.80000115.3
297A28.1Very low29.3Very low91 Ų91136.8 Ų136.875%0.75275%0.745SS**  trans71125.7174.300000116.7
298D27.6Very low29.5Very low135 Ų135139.4 Ų139.472%0.72275%0.746SS**  cis78.8123.138.5-161.130.5000111.5
299H29.5Very low29.4Very low152 Ų152141 Ų14170%0.70474%0.744SS**  cis-116.4-176.819.2-47-58.9000113.8
300Q29.3Very low29.4Very low184 Ų184139.4 Ų139.486%0.8674%0.744SS**  cis-149.7178.77-152159.459.200111.8
301R28.7Very low29.3Very low240 Ų240140.1 Ų140.191%0.90675%0.748SS**  trans-114.3132.5-166.2-94.2-177.1-72.9-179.6-4.5115.9
302D37.8Very low29.1Very low147 Ų147146.9 Ų146.979%0.78676%0.761SS**  trans-78.9173.5140.5-110-43.5000109.6
303P48.5Very low29.2Very low110 Ų110149.2 Ų149.271%0.71476%0.764SS**  cis-142.7179.813.336.6-14.3000118.1
304N26.8Very low29.5Very low149 Ų149149.8 Ų149.880%0.79777%0.765SS**  114.9135.4123.7-152.213.4000122
305A29.7Very low29.6Very low72 Ų72151.2 Ų151.260%0.59577%0.771SS**  trans97.4140.114100000122.1
306K28.7Very low30Very low187 Ų187151.5 Ų151.581%0.81378%0.779SS**  trans82.4130.7166.9-50.1-168.7-178175.90116.2
307F27.2Very low29.9Very low172 Ų172152.6 Ų152.675%0.75478%0.781SS**  cis-161.6163.7-11.2-133.5-75.6000112
308T28.2Very low29.7Very low132 Ų132151 Ų15181%0.8177%0.774SS**  trans89.7160.5163.874.60000120.1
309L25.4Very low29.6Very low152 Ų152152 Ų15280%0.79678%0.784SS**  -176.3120.9-72.9178.778.2000112
310V25.3Very low29.4Very low118 Ų118149.7 Ų149.772%0.71579%0.785SS**  trans63.799.9150.5-179.80000122.3
311K26.2Very low29.2Very low174 Ų174145.9 Ų145.976%0.75778%0.779SS**  63.9111.3108.9-153.5177.3-176177.90123.7
312R24.9Very low29.1Very low221 Ų221139 Ų13983%0.83477%0.767SS**  trans76.8117.3139.2-78.7-174.8171-169.5-2.2124.5
313K26.8Very low28.5Very low202 Ų202139.6 Ų139.688%0.87877%0.77SS**  trans60.9164.3136.8-93-168.3172.3-179.10119.6
314P36.2Very low27.4Very low120 Ų120141.4 Ų141.478%0.77977%0.77SS**  cis-130.1-159.69.243-24.5000116.3
315K30Very low27.5Very low193 Ų193137.7 Ų137.784%0.83976%0.755SS**  trans-73.4163.9173.3-61.8-173.5176.4-173.20112.7
316P35.8Very low27.4Very low119 Ų119145 Ų14577%0.77377%0.767SS**  -119.7-151.283.819.40.2000110.9
317V27.1Very low27.3Very low135 Ų135139.9 Ų139.982%0.81877%0.767SS**  cis-147.9159.56.4-177.20000106.2
318G23.9Very low27.5Very low58 Ų58143.1 Ų143.160%0.59878%0.775SS**  cis142116.8-12.400000114.3
319V26Very low27.5Very low154 Ų154145.7 Ų145.793%0.93378%0.775SS**  trans72.1134.7169.4-1730000115.7
320S24.9Very low27.6Very low105 Ų105149 Ų14973%0.73478%0.777SS**  cis-112.8-148.6753.70000111.5
321S25.3Very low27.7Very low103 Ų103153 Ų15372%0.7278%0.784SS**  cis-158.5-173.65.5-145.20000113.9
322S25.7Very low27.8Very low95 Ų95151.2 Ų151.266%0.66478%0.782SS**  trans-58.5150.7168.739.80000114.3
323N25.6Very low28.7Very low160 Ų160145.9 Ų145.986%0.85678%0.776SS**  cis-145.2158.132-121.8-2.3000115.7
324E25.1Very low28.7Very low149 Ų149142.3 Ų142.370%0.69677%0.767SS**  trans-83177165.3-88.2-156.878.600112.5R326E324-R326 IonicContact OE1-NE 2.72Å; E324-R326 IonicContact OE1-NH2 2.84Å
325S28.6Very low28.3Very low70 Ų70141.9 Ų141.949%0.4976%0.762SS.*  cis-172.7172.3-3769.30000109.5
326R29.1Very low28.3Very low226 Ų226141.2 Ų141.285%0.85376%0.762SS**  trans65.2123.5162.7-56.9159.9-154.4-143.23.9119E324E324-R326 IonicContact OE1-NE 2.72Å; E324-R326 IonicContact OE1-NH2 2.84Å
327G26.9Very low27.9Very low79 Ų79143.7 Ų143.781%0.81476%0.763SS**  trans-110.5177.5160.300000112.7
328R30.1Very low27.8Very low241 Ų241142 Ų14291%0.90976%0.757SS**  trans-172.1152.6158.5-152.8171.9-176.9-147.53.8112.9
329K28.7Very low27.8Very low186 Ų186146.6 Ų146.681%0.80977%0.768SS**  trans-48.8140.9175.9-46.3174.8175.8-174.30115.7
330R27.9Very low27.9Very low222 Ų222143.8 Ų143.884%0.83876%0.755SS**  165.6163.299.5-104.3-176.4-62.9-179.74.4116.2
331K26.3Very low28Very low202 Ų202147.5 Ų147.588%0.87876%0.761SS**  trans94.6138.5151.9-87.4-162.8169.5-1570121.1
332L29.6Very low28.1Very low135 Ų135151.2 Ų151.271%0.70777%0.767SS**  trans-85.1169.9161.2-10873.6000110.4
333P43.6Very low28.1Very low110 Ų110155.1 Ų155.171%0.71478%0.775SS**  -114.3150.481.8-526.9000113.1
334D27.3Very low28.1Very low126 Ų126153 Ų15367%0.67477%0.767SS**  83.4139.663.8-47.3-28.3000110.9
335T26.1Very low28.2Very low112 Ų112152.6 Ų152.669%0.68777%0.769SS**  -163.512761.1-76.40000112.8
336E30.7Very low28Very low178 Ų178154 Ų15483%0.83278%0.778SS**  trans51.6154.1141-62.7156.6-152.800121.6
337E28Very low27.8Very low171 Ų171146.9 Ų146.980%0.79978%0.776SS**  cis-109.8-155.45.8-50.9175.7-158.500111.6
338S24.9Very low28Very low100 Ų100150.5 Ų150.570%0.69977%0.771SS**  cis-157179.8-3.3-140.70000111.2
339D24.4Very low28Very low154 Ų154146.8 Ų146.882%0.82476%0.762SS**  trans-109.6167.4-180-98.7-47.3000111.5
340S26.4Very low28.1Very low95 Ų95142.9 Ų142.966%0.66476%0.758SS**  cis-156.3-160.5-1.938.90000107.2
341E27.6Very low28.3Very low183 Ų183140.4 Ų140.486%0.85576%0.759SS**  cis-148.4176.611.5-62.4-177.3113.400110.3
342E27.8Very low28.5Very low182 Ų182138.4 Ų138.485%0.8576%0.758SS**  trans-127.1144.8159.4-75-166.2154.900110.5
343E24.6Very low28.5Very low177 Ų177134.9 Ų134.983%0.82776%0.755SS**  trans-104.1121.1162-94.8-150.7131.200111.4
344V27.3Very low28.1Very low115 Ų115137.5 Ų137.570%0.69776%0.763SS**  trans-137.2112.8164.8179.10000110.1
345I25.7Very low28.6Very low141 Ų141138.5 Ų138.572%0.72376%0.763SS**  trans-130.5109.9170.8-57.1177.1000106.2
346S25.8Very low29.1Very low99 Ų99142.3 Ų142.369%0.69277%0.77SS**  cis91.8100.736.389.90000114.7
347G24.6Very low29.6Very low77 Ų77140 Ų14079%0.79477%0.768SS**  trans75.8162.9169.700000116.9
348E30.6Very low30.1Very low155 Ų155138.7 Ų138.772%0.72476%0.76SS**  cis-169.3156.6-5.3-100.9-93.181.100106.4
349K29.8Very low30.6Very low163 Ų163140.3 Ų140.371%0.70976%0.757SS**  cis-148.8169.42.2-171.5160.5-149.6730110.3
350S32.4Very low31.2Very low103 Ų103141.2 Ų141.272%0.7275%0.753SS**  trans-59.7148.3175.2-1780000116
351I30.6Very low31.9Very low170 Ų170140.4 Ų140.487%0.87275%0.748SS**  trans-156.2144.5135.7-97.5149.4000109.2
352N30.8Very low32.9Very low161 Ų161138.2 Ų138.286%0.86174%0.737SS**  trans-94.3136.7-177.8-179.719.8000111.9
353G29Very low33.8Very low61 Ų61133.1 Ų133.163%0.62972%0.719SS**  trans169109171.600000118.2
354N36.3Very low34.9Very low165 Ų165130.8 Ų130.888%0.88271%0.711SS**  trans20.8102.6152.4-71.9-20.3000120.2
355Q38.3Very low36.1Very low146 Ų146132.6 Ų132.668%0.68271%0.712SS**  trans-139.262.8151.8-72.6-163.847.400113.1T357Q355-T357 VanDerWaalsContact C-N 3.26Å; Q355-T357 PolarHBondContact O-N 3.32Å
356K35.5Very low37.6Very low193 Ų193130.3 Ų130.384%0.83970%0.701SS**THydrogen-bonded Turntrans-90.331.3174.8-153.7175.1-176.7173.90113.6
357T41.7Very low39.2Very low129 Ų129127.9 Ų127.979%0.79168%0.681SS**THydrogen-bonded Turntrans-134.92.7-165.56.50000114.8Q355Q355-T357 VanDerWaalsContact C-N 3.26Å; Q355-T357 PolarHBondContact O-N 3.32Å
358K38.7Very low40.9Very low144 Ų144125.1 Ų125.163%0.62665%0.652SS**SBendtrans-107.2-26.4-173.4-143.1171.8-174.3177.60114.9
359E35.7Very low42.6Very low134 Ų134124.4 Ų124.463%0.62664%0.644SS**Hα-helixtrans-62.9-44.8-176.1-63.6174.6114.300113.3S361 Q362 T363E359-S361 PolarHBondContact O-N 3.44Å; E359-S361 VanDerWaalsContact O-N 3.08Å; E359-Q362 PolarHBondContact O-N 2.64Å; E359-T363 PolarHBondContact O-N 2.89Å; E359-T363 PolarHBondContact O-OG1 2.83Å
360K36.6Very low44.5Very low172 Ų172118.1 Ų118.175%0.74862%0.618SS**Hα-helixtrans-53.2-36.1-174.2-100.7-173.5173.7-177.10113.8L364K360-L364 WeakPolarHBondContact O-CG 3.38Å; K360-L364 PolarHBondContact O-N 3.46Å; K360-L364 VanDerWaalsContact O-N 3.14Å
361S41Very low46.4Very low79 Ų79119.4 Ų119.455%0.55261%0.607SS**Hα-helixtrans-68-41.4178.5-54.90000111.7E359 Q365E359-S361 PolarHBondContact O-N 3.44Å; E359-S361 VanDerWaalsContact O-N 3.08Å; S361-Q365 WeakPolarHBondContact O-CB 3.48Å; S361-Q365 PolarHBondContact O-N 3.2Å; S361-Q365 VanDerWaalsContact O-N 3.13Å
362Q47.8Very low48.4Very low136 Ų136118 Ų11864%0.63660%0.597SS**Hα-helixtrans-69.2-38.7176.7-70.6179.6-50.100111.7E359 Q365 N366E359-Q362 PolarHBondContact O-N 2.64Å; Q362-Q365 PolarHBondContact O-N 3.09Å; Q362-N366 VanDerWaalsContact O-CB 3.29Å; Q362-N366 WeakPolarHBondContact O-CB 3.45Å; Q362-N366 PolarHBondContact O-N 3.4Å
363T47.2Very low50.5Low76 Ų76111.9 Ų111.947%0.46656%0.564SS.*Hα-helixtrans-61.7-47.2176.5-26.90000111.5E359 Q365 N366 N367E359-T363 PolarHBondContact O-N 2.89Å; E359-T363 PolarHBondContact O-OG1 2.83Å; T363-Q365 PolarHBondContact O-N 3.2Å; T363-N366 PolarHBondContact O-N 3.07Å; T363-N367 VanDerWaalsContact O-CB 3.3Å; T363-N367 WeakPolarHBondContact O-CB 3.28Å; T363-N367 PolarHBondContact O-N 3.12Å; T363-N367 PolarHBondContact O-ND2 3.41Å; T363-N367 PolarHBondContact O-OD1 3.41Å
364L47.4Very low52.7Low127 Ų127109 Ų10967%0.66553%0.534SS*.Hα-helixtrans-62.1-42.4178.4-76.7167.2000112.4K360 N367 G368K360-L364 WeakPolarHBondContact O-CG 3.38Å; K360-L364 PolarHBondContact O-N 3.46Å; K360-L364 VanDerWaalsContact O-N 3.14Å; L364-N367 PolarHBondContact O-N 2.93Å; L364-G368 PolarHBondContact O-N 3.1Å; L364-G368 VanDerWaalsContact O-N 3.13Å
365Q51.7Low54.6Low153 Ų153104.7 Ų104.772%0.71551%0.511SS*.Hα-helixtrans-68.5-40.5-179-159.6166.822.900111.9S361 Q362 T363 G368 Y369S361-Q365 WeakPolarHBondContact O-CB 3.48Å; S361-Q365 PolarHBondContact O-N 3.2Å; S361-Q365 VanDerWaalsContact O-N 3.13Å; Q362-Q365 PolarHBondContact O-N 3.09Å; T363-Q365 PolarHBondContact O-N 3.2Å; Q365-G368 PolarHBondContact O-N 3.31Å; Q365-Y369 PolarHBondContact O-N 3.05Å
366N57.4Low56.5Low93 Ų93105.1 Ų105.150%0.49751%0.507SS..Hα-helixtrans-67-39.1174.8-163.113.9000112Q362 T363 G368 Y369 N370Q362-N366 VanDerWaalsContact O-CB 3.29Å; Q362-N366 WeakPolarHBondContact O-CB 3.45Å; Q362-N366 PolarHBondContact O-N 3.4Å; T363-N366 PolarHBondContact O-N 3.07Å; N366-G368 VanDerWaalsContact C-N 3.28Å; N366-G368 PolarHBondContact O-N 2.83Å; N366-Y369 PolarHBondContact O-N 3.28Å; N366-N370 PolarHBondContact O-N 3.49Å; N366-N370 PolarHBondContact O-ND2 3.12Å; N366-N370 PolarHBondContact OD1-ND2 3.3Å
367N59.3Low58.4Low48 Ų4897.6 Ų97.626%0.25747%0.474SS..Hα-helixtrans-66-27.3176.4-71.1-1.6000113.1T363 L364 R371 P392T363-N367 VanDerWaalsContact O-CB 3.3Å; T363-N367 WeakPolarHBondContact O-CB 3.28Å; T363-N367 PolarHBondContact O-N 3.12Å; T363-N367 PolarHBondContact O-ND2 3.41Å; T363-N367 PolarHBondContact O-OD1 3.41Å; L364-N367 PolarHBondContact O-N 2.93Å; N367-R371 PolarHBondContact O-NH1 3.49Å; N367-P392 HydrophobicContact CB-CB 3.89Å; N367-P392 HydrophobicContact CB-CG 4.43Å; N367-P392 VanDerWaalsContact CG-CB 3.45Å; N367-P392 WeakPolarHBondContact ND2-CB 3.18Å
368G60.8Low60Low19 Ų1992.5 Ų92.520%0.19644%0.442CS..Hα-helixtrans-67.7-56.6168.300000111.8L364 Q365 N366 N370 R371 E372L364-G368 PolarHBondContact O-N 3.1Å; L364-G368 VanDerWaalsContact O-N 3.13Å; Q365-G368 PolarHBondContact O-N 3.31Å; N366-G368 VanDerWaalsContact C-N 3.28Å; N366-G368 PolarHBondContact O-N 2.83Å; G368-N370 VanDerWaalsContact C-N 3.35Å; G368-N370 PolarHBondContact O-N 3.32Å; G368-R371 PolarHBondContact O-N 2.99Å; G368-E372 PolarHBondContact O-N 2.78Å; G368-E372 VanDerWaalsContact O-N 3.15Å
369Y67.5Low61.7Low141 Ų14190.1 Ų90.155%0.55344%0.443SS*.Hα-helixtrans-54.4-45-177.1179.5-105.8000113.4Q365 N366 R371 E372 L373Q365-Y369 PolarHBondContact O-N 3.05Å; N366-Y369 PolarHBondContact O-N 3.28Å; Y369-R371 VanDerWaalsContact C-N 3.32Å; Y369-R371 PolarHBondContact O-N 2.85Å; Y369-E372 PolarHBondContact O-N 2.72Å; Y369-L373 HydrophobicContact CE1-CD1 4Å; Y369-L373 WeakPolarHBondContact O-CB 3.45Å; Y369-L373 PolarHBondContact O-N 3.49Å
370N69.5Low63.6Low31 Ų3192.1 Ų92.117%0.16645%0.45CS..Hα-helixtrans-63.7-34.8178.7-77.3-81.8000112.9N366 G368 L374N366-N370 PolarHBondContact O-N 3.49Å; N366-N370 PolarHBondContact O-ND2 3.12Å; N366-N370 PolarHBondContact OD1-ND2 3.3Å; G368-N370 VanDerWaalsContact C-N 3.35Å; G368-N370 PolarHBondContact O-N 3.32Å; N370-L374 WeakPolarHBondContact O-CB 3.36Å; N370-L374 PolarHBondContact O-N 3.09Å
371R71.7Confident65.3Low129 Ų12986.8 Ų86.849%0.48743%0.429SS..Hα-helixtrans-73.9-37.1179.6-165.3169.473-98.85.4112.2N367 G368 Y369 N375 L388N367-R371 PolarHBondContact O-NH1 3.49Å; G368-R371 PolarHBondContact O-N 2.99Å; Y369-R371 VanDerWaalsContact C-N 3.32Å; Y369-R371 PolarHBondContact O-N 2.85Å; R371-N375 WeakPolarHBondContact O-CB 3.5Å; R371-N375 VanDerWaalsContact O-CG 3.28Å; R371-N375 PolarHBondContact O-N 3.1Å; R371-N375 PolarHBondContact O-ND2 3.45Å; R371-L388 HydrophobicContact CG-CD2 4.35Å
372E72.5Confident66.5Low140 Ų14085.3 Ų85.365%0.65443%0.426SS*.Hα-helixtrans-65.5-42.3172.3-69.9176.6-167.400111.7G368 Y369 N375 R376G368-E372 PolarHBondContact O-N 2.78Å; G368-E372 VanDerWaalsContact O-N 3.15Å; Y369-E372 PolarHBondContact O-N 2.72Å; E372-N375 PolarHBondContact O-N 2.91Å; E372-R376 WeakPolarHBondContact O-CB 3.48Å; E372-R376 PolarHBondContact O-N 3.25Å
373L75.8Confident67.5Low34 Ų3482.2 Ų82.218%0.17841%0.413CS..Hα-helixtrans-64-42.4177.1-161.6147.6000111.3Y369 R376 H377 A399Y369-L373 HydrophobicContact CE1-CD1 4Å; Y369-L373 WeakPolarHBondContact O-CB 3.45Å; Y369-L373 PolarHBondContact O-N 3.49Å; L373-R376 WeakPolarHBondContact O-CB 3.44Å; L373-R376 PolarHBondContact O-N 3.47Å; L373-H377 PolarHBondContact O-CD2 2.92Å; L373-H377 PolarHBondContact O-N 2.79Å; L373-H377 VanDerWaalsContact O-N 3.14Å; L373-A399 HydrophobicContact CD2-CB 3.88Å
374L75.3Confident68.1Low0 Ų088 Ų880%043%0.432CS..Hα-helixtrans-58.6-49.9172.3178.454.9000112.2N370 R376 H377 I378 L388 C395 F398 A399 L402N370-L374 WeakPolarHBondContact O-CB 3.36Å; N370-L374 PolarHBondContact O-N 3.09Å; L374-R376 VanDerWaalsContact C-N 3.27Å; L374-R376 PolarHBondContact O-N 3.48Å; L374-H377 PolarHBondContact O-N 3.48Å; L374-H377 VanDerWaalsContact O-N 3.1Å; L374-I378 HydrophobicContact CD1-CD1 3.88Å; L374-I378 HydrophobicContact CD1-CG1 4.23Å; L374-I378 HydrophobicContact CG-CD1 3.99Å; L374-I378 WeakPolarHBondContact O-CG1 3.42Å; L374-I378 PolarHBondContact O-N 3.21Å; L374-L388 HydrophobicContact CD2-CD1 3.96Å; L374-L388 HydrophobicContact CD2-CD2 4.02Å; L374-L388 HydrophobicContact CD2-CG 3.96Å; L374-L388 HydrophobicContact CG-CD1 4.25Å; L374-C395 HydrophobicContact CD2-CB 4.11Å; L374-F398 HydrophobicContact CD1-CB 3.92Å; L374-F398 HydrophobicContact CD2-CB 4.31Å; L374-A399 HydrophobicContact CB-CB 4.17Å; L374-A399 HydrophobicContact CD1-CB 4.35Å; L374-L402 HydrophobicContact CD1-CD1 3.8Å
375N75.1Confident68.7Low74 Ų7491.7 Ų91.740%0.39644%0.443SS..Hα-helixtrans-59.6-36.4178-75.6-22.6000112.6R371 E372 S379R371-N375 WeakPolarHBondContact O-CB 3.5Å; R371-N375 VanDerWaalsContact O-CG 3.28Å; R371-N375 PolarHBondContact O-N 3.1Å; R371-N375 PolarHBondContact O-ND2 3.45Å; E372-N375 PolarHBondContact O-N 2.91Å; N375-S379 VanDerWaalsContact O-CB 3.31Å; N375-S379 WeakPolarHBondContact O-CB 3.45Å; N375-S379 PolarHBondContact O-N 2.97Å; N375-S379 PolarHBondContact O-OG 3.17Å
376R78.8Confident69.1Low156 Ų15688.8 Ų88.859%0.58943%0.432SS*.Hα-helixtrans-64.4-41.1174.4-174176.166.5-178.2-0.3112.2E372 L373 L374 K380E372-R376 WeakPolarHBondContact O-CB 3.48Å; E372-R376 PolarHBondContact O-N 3.25Å; L373-R376 WeakPolarHBondContact O-CB 3.44Å; L373-R376 PolarHBondContact O-N 3.47Å; L374-R376 VanDerWaalsContact C-N 3.27Å; L374-R376 PolarHBondContact O-N 3.48Å; R376-K380 WeakPolarHBondContact O-CB 3.47Å; R376-K380 PolarHBondContact O-N 3.4Å
377H75.2Confident69.2Low34 Ų3492.6 Ų92.616%0.15745%0.446CS..Hα-helixtrans-68-44.8175.8-85.1-99.2000112.5L373 L374 S379 K380 L381 L402 S403L373-H377 PolarHBondContact O-CD2 2.92Å; L373-H377 PolarHBondContact O-N 2.79Å; L373-H377 VanDerWaalsContact O-N 3.14Å; L374-H377 PolarHBondContact O-N 3.48Å; L374-H377 VanDerWaalsContact O-N 3.1Å; H377-S379 VanDerWaalsContact C-N 3.31Å; H377-S379 PolarHBondContact O-N 3.31Å; H377-K380 PolarHBondContact O-N 3.45Å; H377-L381 WeakPolarHBondContact O-CG 3.3Å; H377-L381 PolarHBondContact O-N 3.13Å; H377-L402 HydrophobicContact CB-CB 4.04Å; H377-L402 PolarHBondContact ND1-O 3.44Å; H377-L402 VanDerWaalsContact ND1-O 3.12Å; H377-S403 VanDerWaalsContact CE1-CA 3.49Å; H377-S403 WeakPolarHBondContact CE1-CA 3.43Å; H377-S403 VanDerWaalsContact CE1-CB 3.44Å; H377-S403 WeakPolarHBondContact CE1-CB 3.46Å
378I75.1Confident69.3Low22 Ų2292.6 Ų92.611%0.11345%0.446CS..Hα-helixtrans-61-41.9177-67.4170.5000111L374 L381 G382 I383 L388 L402L374-I378 HydrophobicContact CD1-CD1 3.88Å; L374-I378 HydrophobicContact CD1-CG1 4.23Å; L374-I378 HydrophobicContact CG-CD1 3.99Å; L374-I378 WeakPolarHBondContact O-CG1 3.42Å; L374-I378 PolarHBondContact O-N 3.21Å; I378-L381 PolarHBondContact O-N 2.95Å; I378-G382 PolarHBondContact O-N 3.12Å; I378-G382 VanDerWaalsContact O-N 3.07Å; I378-I383 WeakPolarHBondContact CG2-O 3.29Å; I378-I383 PolarHBondContact O-N 3.47Å; I378-L388 HydrophobicContact CD1-CD1 3.35Å; I378-L402 HydrophobicContact CD1-CD1 4.33Å; I378-L402 HydrophobicContact CG1-CD1 3.62Å
379S75Confident69.4Low94 Ų9493.1 Ų93.166%0.65745%0.446SS*.Hα-helixtrans-63.6-43.6176.3-59.70000112.1N375 H377 L381 G382N375-S379 VanDerWaalsContact O-CB 3.31Å; N375-S379 WeakPolarHBondContact O-CB 3.45Å; N375-S379 PolarHBondContact O-N 2.97Å; N375-S379 PolarHBondContact O-OG 3.17Å; H377-S379 VanDerWaalsContact C-N 3.31Å; H377-S379 PolarHBondContact O-N 3.31Å; S379-L381 VanDerWaalsContact C-N 3.27Å; S379-L381 PolarHBondContact O-N 2.69Å; S379-G382 PolarHBondContact O-N 3.29Å; S379-G382 VanDerWaalsContact O-N 3.16Å
380K75.4Confident69Low177 Ų17795.3 Ų95.377%0.7746%0.461SS*.Hα-helixtrans-63.3-30.1176.8-174.4178.1179.5-177.90113.1R376 H377R376-K380 WeakPolarHBondContact O-CB 3.47Å; R376-K380 PolarHBondContact O-N 3.4Å; H377-K380 PolarHBondContact O-N 3.45Å
381L71.2Confident68.9Low59 Ų5997.7 Ų97.731%0.30947%0.474SS..THydrogen-bonded Turntrans-91.3-3.7177.4-63.3171.7000113.4H377 I378 S379 I383 L402 N405H377-L381 WeakPolarHBondContact O-CG 3.3Å; H377-L381 PolarHBondContact O-N 3.13Å; I378-L381 PolarHBondContact O-N 2.95Å; S379-L381 VanDerWaalsContact C-N 3.27Å; S379-L381 PolarHBondContact O-N 2.69Å; L381-I383 VanDerWaalsContact C-N 3.25Å; L381-I383 HydrophobicContact CB-CD1 3.9Å; L381-I383 HydrophobicContact CB-CG1 3.78Å; L381-I383 HydrophobicContact CD1-CD1 4.36Å; L381-I383 WeakPolarHBondContact O-CG1 3.35Å; L381-I383 PolarHBondContact O-N 2.9Å; L381-L402 HydrophobicContact CD1-CB 4.13Å; L381-L402 HydrophobicContact CD1-CD2 3.86Å; L381-L402 HydrophobicContact CD1-CG 4.49Å; L381-N405 WeakPolarHBondContact CD2-OD1 3.27Å
382G67.8Low68.6Low48 Ų4894 Ų9450%0.49547%0.467SS..THydrogen-bonded Turntrans71.78.6177.900000115.7I378 S379 K384I378-G382 PolarHBondContact O-N 3.12Å; I378-G382 VanDerWaalsContact O-N 3.07Å; S379-G382 PolarHBondContact O-N 3.29Å; S379-G382 VanDerWaalsContact O-N 3.16Å; G382-K384 VanDerWaalsContact C-N 3.29Å; G382-K384 PolarHBondContact O-N 3.48Å
383I68.6Low68.2Low71 Ų7190.6 Ų90.636%0.36446%0.458SS..  trans-84.565.6-168.5-39.1177.4000111.6I378 L381 K385 L386I378-I383 WeakPolarHBondContact CG2-O 3.29Å; I378-I383 PolarHBondContact O-N 3.47Å; L381-I383 VanDerWaalsContact C-N 3.25Å; L381-I383 HydrophobicContact CB-CD1 3.9Å; L381-I383 HydrophobicContact CB-CG1 3.78Å; L381-I383 HydrophobicContact CD1-CD1 4.36Å; L381-I383 WeakPolarHBondContact O-CG1 3.35Å; L381-I383 PolarHBondContact O-N 2.9Å; I383-K385 PolarHBondContact O-N 3.37Å; I383-L386 HydrophobicContact CB-CD1 4.13Å; I383-L386 HydrophobicContact CD1-CD1 4.14Å; I383-L386 HydrophobicContact CG2-CD1 3.74Å; I383-L386 HydrophobicContact CG2-CG 3.72Å
384K59Low67.9Low199 Ų19992.2 Ų92.287%0.86547%0.466SS*.THydrogen-bonded Turntrans-66.516.8-174-59.3-176.8-178.9-177.40116.1G382G382-K384 VanDerWaalsContact C-N 3.29Å; G382-K384 PolarHBondContact O-N 3.48Å
385K59.8Low67.7Low204 Ų20492.4 Ų92.489%0.88747%0.468SS*.THydrogen-bonded Turntrans-142.512.5-174.6-76.8-163.2173.7-171.20115.4I383I383-K385 PolarHBondContact O-N 3.37Å
386L61.3Low67.4Low92 Ų9291.4 Ų91.448%0.48247%0.467SS..PPolyproline II helixtrans-74.3127.9168-79.7167.3000109.8I383 L388I383-L386 HydrophobicContact CB-CD1 4.13Å; I383-L386 HydrophobicContact CD1-CD1 4.14Å; I383-L386 HydrophobicContact CG2-CD1 3.74Å; I383-L386 HydrophobicContact CG2-CG 3.72Å; L386-L388 PolarHBondContact O-N 2.93Å
387H59Low67.3Low172 Ų17287.8 Ų87.880%0.79646%0.462SS*.PPolyproline II helixtrans-69.5125.5167.4-163.5-69.6000108.2
388L61.6Low67.1Low48 Ų4890.8 Ų90.825%0.25147%0.474SS..PPolyproline II helixtrans-77.4144.2176.7-128.269.7000109.8R371 L374 I378 L386R371-L388 HydrophobicContact CG-CD2 4.35Å; L374-L388 HydrophobicContact CD2-CD1 3.96Å; L374-L388 HydrophobicContact CD2-CD2 4.02Å; L374-L388 HydrophobicContact CD2-CG 3.96Å; L374-L388 HydrophobicContact CG-CD1 4.25Å; I378-L388 HydrophobicContact CD1-CD1 3.35Å; L386-L388 PolarHBondContact O-N 2.93Å
389P62.8Low66.9Low31 Ų3190 Ų9020%0.20147%0.471CS..PPolyproline II helixtrans-69.9143.3164.8-11.727.4000110.3I394 F398P389-I394 HydrophobicContact CB-CD1 3.38Å; P389-I394 HydrophobicContact CB-CG1 3.85Å; P389-I394 HydrophobicContact CG-CD1 4Å; P389-I394 HydrophobicContact CG-CG1 4.32Å; P389-F398 HydrophobicContact CG-CD2 4.08Å; P389-F398 HydrophobicContact CG-CE1 4.49Å; P389-F398 HydrophobicContact CG-CE2 3.77Å; P389-F398 HydrophobicContact CG-CZ 3.99Å
390E57.7Low66.8Low186 Ų18688.8 Ų88.887%0.86946%0.463SS*.SBendtrans-80.9-20.9179.6-60.7-172.2145.400113P392E390-P392 WeakPolarHBondContact O-CD 3.32Å
391D67.8Low66.5Low82 Ų8283.7 Ų83.744%0.43945%0.449SS..  trans-74.9122.3179.1-175.1-27.9000111.4S393 I394 C395D391-S393 VanDerWaalsContact C-N 3.28Å; D391-S393 PolarHBondContact O-N 2.91Å; D391-S393 VanDerWaalsContact OD1-CB 3.29Å; D391-S393 WeakPolarHBondContact OD1-CB 3.49Å; D391-S393 PolarHBondContact OD1-N 3.26Å; D391-S393 PolarHBondContact OD1-OG 3Å; D391-S393 PolarHBondContact OD2-OG 3.34Å; D391-I394 HydrophobicContact CB-CD1 4.03Å; D391-I394 HydrophobicContact CB-CG1 3.97Å; D391-I394 WeakPolarHBondContact O-CG1 3.44Å; D391-C395 PolarHBondContact O-SG 3.3Å; D391-C395 VanDerWaalsContact O-SG 3.33Å
392P64.8Low66.5Low51 Ų5182.4 Ų82.433%0.33144%0.442SS..Hα-helixtrans-63.2-26.3178.9-23.134.3000115.3N367 E390 C395N367-P392 HydrophobicContact CB-CB 3.89Å; N367-P392 HydrophobicContact CB-CG 4.43Å; N367-P392 VanDerWaalsContact CG-CB 3.45Å; N367-P392 WeakPolarHBondContact ND2-CB 3.18Å; E390-P392 WeakPolarHBondContact O-CD 3.32Å; P392-C395 WeakPolarHBondContact O-CB 3.34Å; P392-C395 PolarHBondContact O-N 2.79Å
393S65.3Low66.5Low68 Ų6883.2 Ų83.248%0.47644%0.44SS..Hα-helixtrans-64.1-50.1-175.464.30000111.4D391 C395 S396D391-S393 VanDerWaalsContact C-N 3.28Å; D391-S393 PolarHBondContact O-N 2.91Å; D391-S393 VanDerWaalsContact OD1-CB 3.29Å; D391-S393 WeakPolarHBondContact OD1-CB 3.49Å; D391-S393 PolarHBondContact OD1-N 3.26Å; D391-S393 PolarHBondContact OD1-OG 3Å; D391-S393 PolarHBondContact OD2-OG 3.34Å; S393-C395 VanDerWaalsContact C-N 3.33Å; S393-C395 PolarHBondContact O-N 3.41Å; S393-S396 PolarHBondContact O-N 3.28Å; S393-S396 PolarHBondContact O-OG 3.46Å
394I69.8Low66.5Low68 Ų6884.2 Ų84.235%0.34945%0.453SS..Hα-helixtrans-74.2-18179.855.6-178.9000113.6P389 D391 S396 V397 F398P389-I394 HydrophobicContact CB-CD1 3.38Å; P389-I394 HydrophobicContact CB-CG1 3.85Å; P389-I394 HydrophobicContact CG-CD1 4Å; P389-I394 HydrophobicContact CG-CG1 4.32Å; D391-I394 HydrophobicContact CB-CD1 4.03Å; D391-I394 HydrophobicContact CB-CG1 3.97Å; D391-I394 WeakPolarHBondContact O-CG1 3.44Å; I394-S396 PolarHBondContact O-N 3.17Å; I394-V397 PolarHBondContact O-N 3.3Å; I394-V397 VanDerWaalsContact O-N 3.11Å; I394-F398 WeakPolarHBondContact O-CD2 3.23Å; I394-F398 PolarHBondContact O-N 3.32Å
395C69.9Low66.6Low5 Ų578.8 Ų78.83%0.03443%0.434CS..Hα-helixtrans-56.4-35.6173.1-71.70000112.5L374 D391 P392 S393 A399L374-C395 HydrophobicContact CD2-CB 4.11Å; D391-C395 PolarHBondContact O-SG 3.3Å; D391-C395 VanDerWaalsContact O-SG 3.33Å; P392-C395 WeakPolarHBondContact O-CB 3.34Å; P392-C395 PolarHBondContact O-N 2.79Å; S393-C395 VanDerWaalsContact C-N 3.33Å; S393-C395 PolarHBondContact O-N 3.41Å; C395-A399 WeakPolarHBondContact O-CB 3.36Å; C395-A399 PolarHBondContact O-N 3.27Å
396S69.9Low66.4Low52 Ų5273.5 Ų73.536%0.36442%0.42SS..Hα-helixtrans-65.3-42.4176.267.80000112.5S393 I394 A399 S400S393-S396 PolarHBondContact O-N 3.28Å; S393-S396 PolarHBondContact O-OG 3.46Å; I394-S396 PolarHBondContact O-N 3.17Å; S396-A399 PolarHBondContact O-N 3.34Å; S396-S400 PolarHBondContact O-N 3.37Å
397V75.6Confident66.3Low81 Ų8180 Ų8049%0.49144%0.438SS..Hα-helixtrans-65.4-48178-175.70000110.3I394 A399 S400 C401I394-V397 PolarHBondContact O-N 3.3Å; I394-V397 VanDerWaalsContact O-N 3.11Å; V397-A399 VanDerWaalsContact C-N 3.32Å; V397-A399 PolarHBondContact O-N 3.39Å; V397-S400 WeakPolarHBondContact O-CB 3.5Å; V397-S400 PolarHBondContact O-N 3.49Å; V397-C401 PolarHBondContact O-N 3.44Å; V397-C401 PolarHBondContact O-SG 3.21Å
398F72.3Confident66.3Low96 Ų9677.4 Ų77.442%0.42143%0.434SS..Hα-helixtrans-59.4-41.3175.6-88.9-100.6000112.2L374 P389 I394 C401 L402L374-F398 HydrophobicContact CD1-CB 3.92Å; L374-F398 HydrophobicContact CD2-CB 4.31Å; P389-F398 HydrophobicContact CG-CD2 4.08Å; P389-F398 HydrophobicContact CG-CE1 4.49Å; P389-F398 HydrophobicContact CG-CE2 3.77Å; P389-F398 HydrophobicContact CG-CZ 3.99Å; I394-F398 WeakPolarHBondContact O-CD2 3.23Å; I394-F398 PolarHBondContact O-N 3.32Å; F398-C401 PolarHBondContact O-N 3.48Å; F398-L402 WeakPolarHBondContact O-CB 3.18Å; F398-L402 VanDerWaalsContact O-CG 3.31Å; F398-L402 WeakPolarHBondContact O-CG 3.42Å; F398-L402 PolarHBondContact O-N 2.99Å
399A71.1Confident66Low5 Ų581.2 Ų81.24%0.04146%0.46CS..Hα-helixtrans-63.5-42.2176.500000111.9L373 L374 C395 S396 V397 L402 S403L373-A399 HydrophobicContact CD2-CB 3.88Å; L374-A399 HydrophobicContact CB-CB 4.17Å; L374-A399 HydrophobicContact CD1-CB 4.35Å; C395-A399 WeakPolarHBondContact O-CB 3.36Å; C395-A399 PolarHBondContact O-N 3.27Å; S396-A399 PolarHBondContact O-N 3.34Å; V397-A399 VanDerWaalsContact C-N 3.32Å; V397-A399 PolarHBondContact O-N 3.39Å; A399-L402 PolarHBondContact O-N 3.24Å; A399-S403 PolarHBondContact O-N 3.09Å
400S72.3Confident65.4Low70 Ų7086.6 Ų86.649%0.4949%0.485SS..Hα-helixtrans-61.3-50.9174.8-173.20000111.8S396 V397 L402 S403 S404S396-S400 PolarHBondContact O-N 3.37Å; V397-S400 WeakPolarHBondContact O-CB 3.5Å; V397-S400 PolarHBondContact O-N 3.49Å; S400-L402 VanDerWaalsContact C-N 3.33Å; S400-L402 PolarHBondContact O-N 3.49Å; S400-S403 WeakPolarHBondContact O-CA 3.27Å; S400-S403 WeakPolarHBondContact O-CB 3.4Å; S400-S403 PolarHBondContact O-N 3.1Å; S400-S403 PolarHBondContact O-OG 2.86Å; S400-S404 PolarHBondContact O-N 2.84Å; S400-S404 VanDerWaalsContact O-N 3.17Å; S400-S404 PolarHBondContact O-OG 3.27Å
401C69.7Low64.8Low69 Ų6988.3 Ų88.347%0.46648%0.484SS..Hα-helixtrans-59.3-40178.1-65.50000112.9V397 F398 S403 S404 P406V397-C401 PolarHBondContact O-N 3.44Å; V397-C401 PolarHBondContact O-SG 3.21Å; F398-C401 PolarHBondContact O-N 3.48Å; C401-S403 VanDerWaalsContact C-N 3.27Å; C401-S403 PolarHBondContact O-N 3.02Å; C401-S404 PolarHBondContact O-N 2.76Å; C401-P406 VanDerWaalsContact O-CD 3.29Å; C401-P406 WeakPolarHBondContact O-CD 3.38Å
402L70.9Confident63.4Low32 Ų3294 Ų9417%0.16851%0.505CS..Hα-helixtrans-77.1-9175.5-64.5176.3000113.6L374 H377 I378 L381 F398 A399 S400L374-L402 HydrophobicContact CD1-CD1 3.8Å; H377-L402 HydrophobicContact CB-CB 4.04Å; H377-L402 PolarHBondContact ND1-O 3.44Å; H377-L402 VanDerWaalsContact ND1-O 3.12Å; I378-L402 HydrophobicContact CD1-CD1 4.33Å; I378-L402 HydrophobicContact CG1-CD1 3.62Å; L381-L402 HydrophobicContact CD1-CB 4.13Å; L381-L402 HydrophobicContact CD1-CD2 3.86Å; L381-L402 HydrophobicContact CD1-CG 4.49Å; F398-L402 WeakPolarHBondContact O-CB 3.18Å; F398-L402 VanDerWaalsContact O-CG 3.31Å; F398-L402 WeakPolarHBondContact O-CG 3.42Å; F398-L402 PolarHBondContact O-N 2.99Å; A399-L402 PolarHBondContact O-N 3.24Å; S400-L402 VanDerWaalsContact C-N 3.33Å; S400-L402 PolarHBondContact O-N 3.49Å
403S68.3Low62.3Low66 Ų6699 Ų9946%0.46253%0.528SS..Hα-helixtrans-81.7-39.7168.783.40000111.8H377 A399 S400 C401 N405H377-S403 VanDerWaalsContact CE1-CA 3.49Å; H377-S403 WeakPolarHBondContact CE1-CA 3.43Å; H377-S403 VanDerWaalsContact CE1-CB 3.44Å; H377-S403 WeakPolarHBondContact CE1-CB 3.46Å; A399-S403 PolarHBondContact O-N 3.09Å; S400-S403 WeakPolarHBondContact O-CA 3.27Å; S400-S403 WeakPolarHBondContact O-CB 3.4Å; S400-S403 PolarHBondContact O-N 3.1Å; S400-S403 PolarHBondContact O-OG 2.86Å; C401-S403 VanDerWaalsContact C-N 3.27Å; C401-S403 PolarHBondContact O-N 3.02Å; S403-N405 PolarHBondContact O-N 3.28Å
404S67.5Low61.1Low91 Ų91100.8 Ų100.864%0.63654%0.54SS*.SBendtrans-69.5-10.6176.8-53.50000114.2S400 C401S400-S404 PolarHBondContact O-N 2.84Å; S400-S404 VanDerWaalsContact O-N 3.17Å; S400-S404 PolarHBondContact O-OG 3.27Å; C401-S404 PolarHBondContact O-N 2.76Å
405N60.4Low59.6Low85 Ų85104 Ų10446%0.45556%0.563SS.*  trans50.251.2169.5-156.48.4000114.9L381 S403 R407L381-N405 WeakPolarHBondContact CD2-OD1 3.27Å; S403-N405 PolarHBondContact O-N 3.28Å; N405-R407 PolarHBondContact O-N 2.79Å
406P57.5Low57.9Low94 Ų94108.9 Ų108.961%0.6160%0.597SS**  trans-66.4117.6-169.327.2-35.8000112.9C401 V408C401-P406 VanDerWaalsContact O-CD 3.29Å; C401-P406 WeakPolarHBondContact O-CD 3.38Å; P406-V408 PolarHBondContact O-N 3.17Å
407R59Low56.2Low227 Ų227111.4 Ų111.486%0.85761%0.614SS**  trans-87.886.9179.2-69-179.2177.3-105.72.9111.8N405 V409N405-R407 PolarHBondContact O-N 2.79Å; R407-V409 PolarHBondContact O-N 3.33Å
408V57.6Low54.1Low118 Ų118112.2 Ų112.272%0.71563%0.629SS**  trans-75114.1169.1-177.60000109.6P406 I410P406-V408 PolarHBondContact O-N 3.17Å; V408-I410 HydrophobicContact CG1-CG1 4.1Å; V408-I410 PolarHBondContact O-N 3.39Å
409V56.1Low52.3Low129 Ų129112.6 Ų112.678%0.78264%0.644SS**  trans-79.585.6175.7-176.80000109.6R407 R411R407-V409 PolarHBondContact O-N 3.33Å; V409-R411 PolarHBondContact O-N 2.8Å
410I49.1Very low50.5Low144 Ų144118.8 Ų118.874%0.73868%0.681SS**  trans-68.4102.2172.1-56.2177.4000108.3V408 K412V408-I410 HydrophobicContact CG1-CG1 4.1Å; V408-I410 PolarHBondContact O-N 3.39Å; I410-K412 PolarHBondContact O-N 2.99Å; I410-K412 VanDerWaalsContact O-N 3.14Å
411R45.4Very low48.5Very low221 Ų221121 Ų12183%0.83470%0.697SS**  trans-60.6116.1168-81.6-178.1170.3154.2-2.8108.5V409 L413V409-R411 PolarHBondContact O-N 2.8Å; R411-L413 PolarHBondContact O-N 3.25Å
412K40.2Very low46.7Very low203 Ų203125.5 Ų125.588%0.88372%0.715SS**  trans-65.599.4178.4-176.2-178.4-179.9-177.70109.7I410 S414I410-K412 PolarHBondContact O-N 2.99Å; I410-K412 VanDerWaalsContact O-N 3.14Å; K412-S414 PolarHBondContact O-N 2.68Å
413L41Very low44.7Very low156 Ų156130.2 Ų130.282%0.81775%0.751SS**  trans-58.5122.4171.7-68.6171.8000109.3R411 V415R411-L413 PolarHBondContact O-N 3.25Å; L413-V415 PolarHBondContact O-N 3.24Å
414S40.7Very low42.8Very low104 Ų104130.7 Ų130.773%0.72777%0.766SS**  trans-72.3111.8170.851.10000108.9K412 S416K412-S414 PolarHBondContact O-N 2.68Å; S414-S416 VanDerWaalsContact C-N 3.35Å; S414-S416 PolarHBondContact O-N 3.28Å
415V38.3Very low40.9Very low137 Ų137130.2 Ų130.283%0.8378%0.776SS**  trans-73.289.5178.3-176.90000109.4L413 S417L413-V415 PolarHBondContact O-N 3.24Å; V415-S417 PolarHBondContact O-N 2.63Å
416S32.9Very low39.2Very low106 Ų106129.6 Ų129.674%0.74179%0.79SS**  trans-69.2114.6164.5-67.50000108.7S414 A418S414-S416 VanDerWaalsContact C-N 3.35Å; S414-S416 PolarHBondContact O-N 3.28Å; S416-A418 PolarHBondContact O-N 2.7Å
417S34.6Very low37.8Very low105 Ų105131 Ų13173%0.73480%0.796SS**  trans-7488.2-174.254.60000112.3V415 S419V415-S417 PolarHBondContact O-N 2.63Å; S417-S419 VanDerWaalsContact C-N 3.25Å; S417-S419 PolarHBondContact O-N 3.29Å
418A31.4Very low36.3Very low98 Ų98129.9 Ų129.981%0.8180%0.797SS**  trans-7774.1167.400000110.6S416 V420S416-A418 PolarHBondContact O-N 2.7Å; A418-V420 PolarHBondContact O-N 3.06Å
419S33.7Very low35Very low105 Ų105128.7 Ų128.773%0.73479%0.794SS**  trans-70.4113.417654.90000110.9S417 S421S417-S419 VanDerWaalsContact C-N 3.25Å; S417-S419 PolarHBondContact O-N 3.29Å; S419-S421 PolarHBondContact O-N 2.89Å
420V33.2Very low33.6Very low134 Ų134131.1 Ų131.181%0.81280%0.795SS**  trans-65.3117.6175.9178.20000110.1A418 L422A418-V420 PolarHBondContact O-N 3.06Å; V420-L422 PolarHBondContact O-N 3.25Å
421S30.1Very low32.6Very low118 Ų118133.9 Ų133.983%0.82580%0.797SS**  trans-83.690.2178.441.10000111.9S419S419-S421 PolarHBondContact O-N 2.89Å
422L32Very low31.7Very low163 Ų163131.1 Ų131.185%0.85379%0.791SS**  trans-70.2131.1163-73.5171.7000110V420V420-L422 PolarHBondContact O-N 3.25Å
423S30.7Very low31.1Very low130 Ų130127.3 Ų127.391%0.90978%0.777SS**  trans-74.2135.2179.3-173.70000111.2
424G27.3Very low30.5Very low76 Ų76127.4 Ų127.478%0.78477%0.773SS**  trans-162.120.8-167.600000118.7
425G27Very low30Very low82 Ų82129.1 Ų129.185%0.84577%0.77SS**  trans61.2132.7160.200000120.5
426G25.1Very low29.6Very low72 Ų72130.6 Ų130.674%0.74277%0.767SS**  trans157.493.2160.200000119.2
427V28.8Very low29.5Very low123 Ų123134.5 Ų134.575%0.74577%0.774SS**  trans53.6103.7135.3-171.90000120.1
428K28.2Very low29.2Very low203 Ų203138.8 Ų138.888%0.88378%0.779SS**  trans70157.5146.7-64.9173.7-170.41750117
429S30.4Very low29.1Very low93 Ų93143.2 Ų143.265%0.6578%0.78SS**  cis-163.5135.5-3.5142.90000113
430F25.4Very low28.7Very low181 Ų181146.8 Ų146.879%0.79478%0.783SS**  trans47157143.8-77-94.7000125.2
431Y28.3Very low28.4Very low202 Ų202149.6 Ų149.679%0.79278%0.784SS**  trans70.6124.1175.8-64.9-88.1000116.5
432K26.6Very low28.2Very low162 Ų162149.7 Ų149.770%0.70478%0.784SS**  cis100.1154.719.3-168.7173175.5-79.80114.1
433E27.8Very low28Very low124 Ų124146.2 Ų146.258%0.57977%0.774SS**  trans80.4106.5-173.9-104.987.3-96.500113.5
434Q28.5Very low27.9Very low157 Ų157145.5 Ų145.573%0.73476%0.764SS**  68.4145.781.1-74.1-170.18.600113.7
435Q29.6Very low27.8Very low141 Ų141151.4 Ų151.466%0.65976%0.763SS**  cis166140.2-17.6-120.2-165.72900103.9
436Q30.2Very low27.9Very low167 Ų167153.7 Ų153.778%0.7875%0.75SS**  trans64.5141.2162.2-52.5-17750.600116.1
437Q29.9Very low28.1Very low188 Ų188157.7 Ų157.788%0.87975%0.749SS**  -155.2154.361.5-74.7179.210.600113.3
438K30Very low28.1Very low195 Ų195156.1 Ų156.185%0.84875%0.749SS**  trans-95.2134.7157.7-68.3176.8175.9177.20109
439K28.3Very low28Very low192 Ų192152.2 Ų152.284%0.83575%0.747SS**  169.9143.1124.7-94.6158-176.1171.50116
440K26.3Very low27.9Very low180 Ų180150.7 Ų150.778%0.78375%0.746SS**  trans65.3104.1141.8-70.1-178.1174.5-172.20121.9
441K26.6Very low27.9Very low193 Ų193147.4 Ų147.484%0.83974%0.744SS**  55.1127.6117-67.1-167174.3-166.60121.7
442S24.6Very low27.9Very low119 Ų119146.4 Ų146.483%0.83275%0.747SS**  trans73.3156.8143.177.40000117.3
443S29.3Very low27.9Very low91 Ų91144.9 Ų144.964%0.63675%0.751SS**  cis-154172.16.565.70000113
444T27.8Very low28.5Very low114 Ų114144.5 Ų144.570%0.69976%0.759SS**  trans67.1155.2151.446.40000119
445W25.4Very low28.3Very low201 Ų201144.3 Ų144.376%0.76176%0.759SS**  cis-158.8145.213.8-128.914.9000113.3
446K28.3Very low28.4Very low130 Ų130141.9 Ų141.957%0.56576%0.757SS**  trans59.2161.4137.7-66.1-1751711780121.7
447Q30.7Very low29Very low156 Ų156139.4 Ų139.473%0.72976%0.756SS**  cis-168.9178-21.3-107-178.8-113.100107.5
448A27.2Very low28.8Very low90 Ų90133.9 Ų133.974%0.74475%0.749SS**  -178.4148.8-51.300000110.9
449S27Very low29Very low121 Ų121131.8 Ų131.885%0.84675%0.746SS**  trans-150.8138.5165.4-175.60000105.8
450G27.4Very low29.1Very low60 Ų60129.2 Ų129.262%0.61974%0.741SS**  cis100.8122.331.600000107.5
451C25.1Very low29.5Very low113 Ų113127 Ų12776%0.76474%0.738SS**  cis-156.5172.811.4-83.60000108.9
452Q30.3Very low29.8Very low181 Ų181125.7 Ų125.785%0.84673%0.732SS**  cis-161.2-179.5-2.3-121.1157.7-40.500110
453T26.6Very low30.2Very low129 Ų129127 Ų12779%0.79173%0.725SS**  trans-118.3164.9170.2-80000110.1
454P40.3Very low30.3Very low117 Ų117129.5 Ų129.576%0.7673%0.732SS**  -146.3-168.374.744.3-25.3000112.8
455E23.3Very low30.5Very low153 Ų153132.6 Ų132.672%0.71574%0.738SS**  cis-148-157.5-6.8-139.3-49.97400110.4
456S32Very low31.8Very low89 Ų89128 Ų12862%0.62273%0.734SS**  trans-133.5-159.7-171.1-41.50000108.2
457P42.1Very low31.8Very low116 Ų116127.6 Ų127.675%0.75374%0.742SS**  cis-138.4166.6-6.541-23.4000117.5
458G26.2Very low31.7Very low71 Ų71127.7 Ų127.773%0.73275%0.747SS**  trans77.8165.2153.200000118.5
459L34Very low31.7Very low151 Ų151128.6 Ų128.679%0.79175%0.748SS**  cis-162.4149.5-13.3-107.3176.3000109
460D31Very low31.8Very low139 Ų139129.1 Ų129.174%0.74375%0.751SS**  trans58167.9163.9-48-40.8000117.6
461D34Very low31.8Very low132 Ų132129.4 Ų129.471%0.70675%0.754SS**  cis-150.6-176.84.8-152.1-13000112.3
462K34.2Very low32Very low167 Ų167131.8 Ų131.873%0.72676%0.759SS**  trans-37.8173.6168.1-77.6166.8-168.4163.50120.3
463E32.2Very low31.9Very low146 Ų146127.5 Ų127.568%0.68275%0.749SS**  cis-178.7149.8-16.9178.4-171.1133.900110.7
464N31.6Very low32.1Very low144 Ų144127 Ų12777%0.7775%0.751SS**  trans67164.9159.3-84-34.5000123.4
465Q31.9Very low31.5Very low178 Ų178126.7 Ų126.783%0.83275%0.752SS**  trans-122.2-155.8177.5-61-171.13.700110.4
466P53.2Low31.9Very low106 Ų106124.1 Ų124.169%0.68875%0.751SS**  -119.2-160.2-73.431.7-12.7000112.3
467V27.8Very low31.9Very low121 Ų121127.9 Ų127.973%0.73376%0.759SS**  trans134.3124.4144.2172.30000116.8
468L29.3Very low31.3Very low158 Ų158130.9 Ų130.983%0.82776%0.763SS**  trans24.7141.3152.1-58.9170.5000123.5
469S27.4Very low31.4Very low109 Ų109131 Ų13176%0.76276%0.764SS**  175.3141.5104.6-76.20000116.6
470S28.6Very low31.3Very low131 Ų131130.5 Ų130.592%0.91677%0.767SS**  trans60.6148.1150.4-58.60000121.9
471G27.3Very low31.9Very low66 Ų66130.1 Ų130.168%0.6877%0.772SS**  cis172.2-175-500000114.8
472N27.9Very low31.7Very low163 Ų163128.3 Ų128.387%0.87278%0.775SS**  trans71.2145.6171.6-70.514.9000119.2
473S28.9Very low31.5Very low91 Ų91129.4 Ų129.464%0.63678%0.783SS**  cis-172.8141.6-16.148.40000112.9
474S30.2Very low31.3Very low118 Ų118127.7 Ų127.783%0.82578%0.783SS**  trans59.5141.8160.951.40000118.2
475S29.5Very low31.3Very low112 Ų112127 Ų12778%0.78378%0.784SS**  cis-151.5-162.48-151.50000108.7
476S30.7Very low31.1Very low99 Ų99124.4 Ų124.469%0.69279%0.785SS**  cis-162.3-172.48.3-140.60000114.8
477Q32Very low30.1Very low167 Ų167126 Ų12678%0.7879%0.793SS**  trans-51.2165.3165.5-73.8169.7-0.100116.2
478Q29.9Very low30.2Very low180 Ų180126 Ų12684%0.84180%0.798SS**  cis-177150.5-13.9169.6177.419.200109.5
479G28.2Very low30.2Very low73 Ų73121.2 Ų121.275%0.75379%0.787SS**  trans112.1130152.600000118.2
480T32.4Very low30.4Very low140 Ų140123.8 Ų123.886%0.85979%0.792SS**  trans-101.9156155.6510000108.9
481P42.6Very low30.6Very low132 Ų132124.5 Ų124.586%0.85779%0.785SS**  -139.9-171.598.138.7-24.9000112.5
482A30.6Very low30.7Very low93 Ų93131.4 Ų131.477%0.76979%0.792SS**  trans-114.2149.6-179.800000111.7
483E29.2Very low31.1Very low190 Ų190129.6 Ų129.689%0.88879%0.787SS**  trans-162.3173.8135.8-119.5177.9-178.100114.6
484T28.8Very low31.1Very low111 Ų111128 Ų12868%0.68178%0.779SS**  trans-45.8144.7-167.442.40000122.7
485V30.6Very low31.4Very low129 Ų129130.2 Ų130.278%0.78278%0.782SS**  trans65.3121133.9179.10000120.7
486S27.1Very low31.8Very low123 Ų123129.4 Ų129.486%0.8678%0.776SS**  trans-159.4164.3137.929.60000110.5
487V32.2Very low32.1Very low141 Ų141134.3 Ų134.386%0.85579%0.788SS**  trans-121.5127.7-164.5172.60000112.8
488S30.9Very low32.5Very low120 Ų120131 Ų13184%0.83978%0.776SS**  trans-165.3139.5146.6-162.40000107.3
489G29.7Very low32.9Very low57 Ų57128.9 Ų128.959%0.58877%0.766SS**  cis130.5109.50.600000109.6
490D30.7Very low33.5Very low163 Ų163129.5 Ų129.587%0.87276%0.764SS**  trans-158.6133.3171.9-96.2-33.1000111.6
491D32.6Very low33.7Very low146 Ų146125.8 Ų125.878%0.78174%0.744SS**  trans30.584.6159.3-70.3-2.7000121.4V493D491-V493 PolarHBondContact O-N 3.46Å
492Y30Very low33.8Very low211 Ų211126 Ų12683%0.82773%0.731SS**  trans-75.198.1148.8178.5-94.7000110A494Y492-A494 HydrophobicContact CE1-CB 4.14Å
493V36Very low34.1Very low125 Ų125128.2 Ų128.276%0.75873%0.73SS**PPolyproline II helixtrans-84.6119.2168.7-179.50000108.9D491 D495D491-V493 PolarHBondContact O-N 3.46Å; V493-D495 PolarHBondContact O-N 3.48Å
494A30.1Very low34.4Very low58 Ų58127.5 Ų127.548%0.47972%0.724SS.*PPolyproline II helixtrans-70.4123.1-175.500000112.6Y492 S496Y492-A494 HydrophobicContact CE1-CB 4.14Å; A494-S496 PolarHBondContact O-N 3.47Å
495D36.3Very low35Very low165 Ų165128.4 Ų128.488%0.88272%0.719SS**PPolyproline II helixtrans-67.5123.4154.5-87.4-40.5000107.9V493V493-D495 PolarHBondContact O-N 3.48Å
496S37.5Very low35.2Very low94 Ų94124.4 Ų124.466%0.65770%0.703SS**  trans-150.6134.1176.3-72.70000110.3A494A494-S496 PolarHBondContact O-N 3.47Å
497E36.2Very low35.7Very low202 Ų202127.9 Ų127.994%0.94470%0.697SS**  trans66.8137.7-178.9-48.4-174.8129.900114.3
498D40.1Very low36.1Very low98 Ų98125 Ų12552%0.52468%0.68SS.*  cis-127.9128.810167.742.7000112.2A500 S501D498-A500 WeakPolarHBondContact OD1-CB 3.26Å; D498-A500 PolarHBondContact OD1-N 3.27Å; D498-S501 WeakPolarHBondContact OD2-CB 3.49Å; D498-S501 PolarHBondContact OD2-N 3.13Å; D498-S501 PolarHBondContact OD2-OG 3Å
499E40.2Very low36.6Very low136 Ų136121.8 Ų121.864%0.63666%0.657SS**  trans-88.5-23.2172.5-89-103.3106.700113.4S501 K502E499-S501 PolarHBondContact O-N 3.32Å; E499-K502 PolarHBondContact O-N 3.13Å; E499-K502 WeakPolarHBondContact OE1-CD 3.25Å; E499-K502 VanDerWaalsContact OE1-CE 3.27Å; E499-K502 WeakPolarHBondContact OE1-CE 3.41Å; E499-K502 IonicContact OE1-NZ 3.25Å; E499-K502 PolarHBondContact OE1-NZ 2.89Å
500A38.9Very low37Very low86 Ų86125.1 Ų125.171%0.71166%0.659SS**THydrogen-bonded Turntrans-63.3-29.5-168.300000113.1D498 K502D498-A500 WeakPolarHBondContact OD1-CB 3.26Å; D498-A500 PolarHBondContact OD1-N 3.27Å; A500-K502 VanDerWaalsContact C-N 3.29Å; A500-K502 PolarHBondContact O-N 3.5Å
501S38.3Very low37.2Very low61 Ų61124.2 Ų124.243%0.42765%0.649SS.*THydrogen-bonded Turntrans-68.5-14.6-178.5-69.10000115.8D498 E499D498-S501 WeakPolarHBondContact OD2-CB 3.49Å; D498-S501 PolarHBondContact OD2-N 3.13Å; D498-S501 PolarHBondContact OD2-OG 3Å; E499-S501 PolarHBondContact O-N 3.32Å
502K42.9Very low37.5Very low138 Ų138122.1 Ų122.160%0.664%0.635SS**Hα-helixtrans-69.7-36.6-168.2-72.5-178.4179.1176.90114.9E499 A500E499-K502 PolarHBondContact O-N 3.13Å; E499-K502 WeakPolarHBondContact OE1-CD 3.25Å; E499-K502 VanDerWaalsContact OE1-CE 3.27Å; E499-K502 WeakPolarHBondContact OE1-CE 3.41Å; E499-K502 IonicContact OE1-NZ 3.25Å; E499-K502 PolarHBondContact OE1-NZ 2.89Å; A500-K502 VanDerWaalsContact C-N 3.29Å; A500-K502 PolarHBondContact O-N 3.5Å
503N38Very low38Very low138 Ų138116.9 Ų116.974%0.73862%0.619SS**Hα-helixtrans-87.3-13-165-79.3-63.6000116.2
504F34.6Very low38.1Very low176 Ų176116.3 Ų116.377%0.77261%0.61SS**Hα-helixtrans-96.4-43.4179.6-152.7-100000112.9G506 R507F504-G506 VanDerWaalsContact C-N 3.3Å; F504-G506 PolarHBondContact O-N 3.29Å; F504-R507 PolarHBondContact O-N 2.92Å
505K42Very low38.4Very low130 Ų130121.1 Ų121.157%0.56562%0.623SS**Hα-helixtrans-61.4-33.7-176.9-73.4177.9176.5174.10113.5R507 V508 C509K505-R507 VanDerWaalsContact C-N 3.34Å; K505-R507 PolarHBondContact O-N 3.27Å; K505-V508 PolarHBondContact O-N 2.88Å; K505-C509 PolarHBondContact O-N 3.11Å; K505-C509 PolarHBondContact O-SG 3.27Å; K505-C509 VanDerWaalsContact O-SG 3.41Å
506G34.9Very low38.5Very low44 Ų44119.5 Ų119.545%0.45461%0.612SS.*Hα-helixtrans-60.3-34.5-176.900000115.1F504 M510F504-G506 VanDerWaalsContact C-N 3.3Å; F504-G506 PolarHBondContact O-N 3.29Å; G506-M510 VanDerWaalsContact O-CG 3.23Å; G506-M510 WeakPolarHBondContact O-CG 3.22Å
507R37.3Very low38.4Very low196 Ų196122.1 Ų122.174%0.7462%0.618SS**Hα-helixtrans-80.1-33.8-176.1-58.7-173-165.9-170.94113.1F504 K505 H511F504-R507 PolarHBondContact O-N 2.92Å; K505-R507 VanDerWaalsContact C-N 3.34Å; K505-R507 PolarHBondContact O-N 3.27Å; R507-H511 PolarHBondContact O-N 3.48Å; R507-H511 PolarHBondContact O-ND1 2.97Å
508V41.2Very low38.3Very low80 Ų80119.8 Ų119.849%0.48563%0.634SS.*Hα-helixtrans-71.2-46.8178.9-175.90000110.5K505 M510 H511 Q512K505-V508 PolarHBondContact O-N 2.88Å; V508-M510 VanDerWaalsContact C-N 3.27Å; V508-M510 PolarHBondContact O-N 3.36Å; V508-H511 PolarHBondContact O-N 2.86Å; V508-Q512 PolarHBondContact O-N 2.88Å
509C42.3Very low38.2Very low54 Ų54120.9 Ų120.937%0.36564%0.639SS.*Hα-helixtrans-58.8-37177.5-66.70000113K505 M513K505-C509 PolarHBondContact O-N 3.11Å; K505-C509 PolarHBondContact O-SG 3.27Å; K505-C509 VanDerWaalsContact O-SG 3.41Å; C509-M513 WeakPolarHBondContact O-CB 3.37Å; C509-M513 WeakPolarHBondContact O-CG 3.23Å; C509-M513 PolarHBondContact O-N 2.96Å; C509-M513 VanDerWaalsContact O-N 3.1Å
510M37.3Very low38.1Very low127 Ų127120.1 Ų120.163%0.62664%0.639SS**Hα-helixtrans-65.5-48.1177.8-73.7-86.6-77.600112.5G506 V508 Q512 M513 I514G506-M510 VanDerWaalsContact O-CG 3.23Å; G506-M510 WeakPolarHBondContact O-CG 3.22Å; V508-M510 VanDerWaalsContact C-N 3.27Å; V508-M510 PolarHBondContact O-N 3.36Å; M510-Q512 VanDerWaalsContact C-N 3.35Å; M510-Q512 PolarHBondContact O-N 3.04Å; M510-M513 PolarHBondContact O-N 3.12Å; M510-I514 WeakPolarHBondContact O-CD1 3.43Å; M510-I514 WeakPolarHBondContact O-CG1 3.09Å; M510-I514 PolarHBondContact O-N 3.02Å
511H34.8Very low38.1Very low143 Ų143121.9 Ų121.966%0.66264%0.635SS**Hα-helixtrans-61.7-43.1179.3-86.573.8000111.9R507 V508 I514 Q515R507-H511 PolarHBondContact O-N 3.48Å; R507-H511 PolarHBondContact O-ND1 2.97Å; V508-H511 PolarHBondContact O-N 2.86Å; H511-I514 PolarHBondContact O-N 3.49Å; H511-Q515 PolarHBondContact O-N 2.77Å
512Q39Very low38.1Very low102 Ų102125.5 Ų125.548%0.47765%0.648SS.*Hα-helixtrans-78.1-23.1-174.9-148.716128.300113.6V508 M510V508-Q512 PolarHBondContact O-N 2.88Å; M510-Q512 VanDerWaalsContact C-N 3.35Å; M510-Q512 PolarHBondContact O-N 3.04Å
513M39.7Very low37.8Very low101 Ų101124.8 Ų124.850%0.49865%0.651SS.*Hα-helixtrans-70-39.4167.3-80.1-166.8-177.400112.7C509 M510 Q515 M516C509-M513 WeakPolarHBondContact O-CB 3.37Å; C509-M513 WeakPolarHBondContact O-CG 3.23Å; C509-M513 PolarHBondContact O-N 2.96Å; C509-M513 VanDerWaalsContact O-N 3.1Å; M510-M513 PolarHBondContact O-N 3.12Å; M513-Q515 VanDerWaalsContact C-N 3.28Å; M513-Q515 PolarHBondContact O-N 3.43Å; M513-M516 PolarHBondContact O-N 2.78Å
514I38.9Very low37.8Very low113 Ų113123.9 Ų123.958%0.57965%0.645SS**Hα-helixtrans-64.1-38.3178.8-68.1165.7000110.2M510 H511 M516 N517M510-I514 WeakPolarHBondContact O-CD1 3.43Å; M510-I514 WeakPolarHBondContact O-CG1 3.09Å; M510-I514 PolarHBondContact O-N 3.02Å; H511-I514 PolarHBondContact O-N 3.49Å; I514-M516 PolarHBondContact O-N 3.48Å; I514-N517 PolarHBondContact O-N 3.22Å
515Q36.9Very low38Very low160 Ų160120.1 Ų120.175%0.74864%0.636SS**THydrogen-bonded Turntrans-76.65.6-177.4-149.1170.315.800115.2H511 M513H511-Q515 PolarHBondContact O-N 2.77Å; M513-Q515 VanDerWaalsContact C-N 3.28Å; M513-Q515 PolarHBondContact O-N 3.43Å
516M38.2Very low37.7Very low130 Ų130119.4 Ų119.464%0.6464%0.641SS**THydrogen-bonded Turntrans-1252.9170.7-70.5-167.17200113.9M513 I514M513-M516 PolarHBondContact O-N 2.78Å; I514-M516 PolarHBondContact O-N 3.48Å
517N35.3Very low37.9Very low149 Ų149125.7 Ų125.780%0.79766%0.657SS**  trans-118.824.9176.9-81.8-19000111.5I514I514-N517 PolarHBondContact O-N 3.22Å
518A34.3Very low38Very low153 Ų153119.3 Ų119.3100%1.26465%0.649SS**  trans-138.90-179.600000109.6

Retrieved 518 of 518 residues in 539.8 ms (Link to these results)

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