A0A087YC89_POEFO Loading...

Tetraspanin

Part of TspanC8 subgroup, composed of 6 members that interact with the transmembrane metalloprotease ADAM10. This interaction is required for ADAM10 exit from the endoplasmic reticulum and for enzymatic maturation and trafficking to the cell surface as well as substrate specificity. Different TspanC8/ADAM10 complexes have distinct substrates. Promotes ADAM10-mediated cleavage of CDH2. Negatively regulates ligand-induced Notch activity probably by regulating ADAM10 activity.

AlphaFold DB , UniProt , Accession A0A087YC89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 294 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
1M39.9Very low59.4Low249 Ų249116.3 Ų116.3100%1.22769%0.689SS**  088.70-70170.3-178.700107.6G3M1-G3 PolarHBondContact O-N 3.46Å
2A38.4Very low61.9Low103 Ų103110.8 Ų110.885%0.85165%0.648SS**  trans-74.1121.4179.100000108.7S4A2-S4 PolarHBondContact O-N 3Å
3G44.9Very low64.1Low79 Ų79106.5 Ų106.581%0.81463%0.633SS**  trans-67.497.7177.300000110.4M1 C5M1-G3 PolarHBondContact O-N 3.46Å; G3-C5 PolarHBondContact O-N 2.99Å
4S39.9Very low66.2Low111 Ų111102.9 Ų102.978%0.77661%0.612SS**  trans-60.5103.2163.9170.20000108A2 S6A2-S4 PolarHBondContact O-N 3Å; S4-S6 PolarHBondContact O-N 3.09Å; S4-S6 VanDerWaalsContact O-N 3.09Å
5C47.9Very low68.1Low95 Ų9598.8 Ų98.864%0.64259%0.586SS**  trans-58.4113.4168.9-157.80000107.2G3G3-C5 PolarHBondContact O-N 2.99Å
6S61.2Low69.7Low41 Ų4195.8 Ų95.829%0.28756%0.563SS.*  trans-63.1134.6-177.8690000109.1S4 Q8 R9 F10S4-S6 PolarHBondContact O-N 3.09Å; S4-S6 VanDerWaalsContact O-N 3.09Å; S6-Q8 PolarHBondContact O-N 3.17Å; S6-R9 PolarHBondContact O-N 2.91Å; S6-F10 PolarHBondContact O-N 2.95Å
7P66.2Low71.3Confident112 Ų11298.6 Ų98.673%0.72757%0.567SS**Hα-helixtrans-50.5-30.1179.1-26.932.3000113G11P7-G11 PolarHBondContact O-N 3.49Å; P7-G11 VanDerWaalsContact O-N 3.17Å
8Q69.4Low72.7Confident125 Ų12596.6 Ų96.658%0.58455%0.553SS**Hα-helixtrans-65.9-33.3176.9-77.3176.5-9.300115.4S6 R254S6-Q8 PolarHBondContact O-N 3.17Å; Q8-R254 PolarHBondContact O-NH2 3.45Å
9R76.4Confident74Confident191 Ų19191.5 Ų91.572%0.72152%0.524SS*.Hα-helixtrans-79.6-36.2176.5-78.6-174.4179.2-168.61.1111.6S6 Y12 A13S6-R9 PolarHBondContact O-N 2.91Å; R9-Y12 PolarHBondContact O-N 3.45Å; R9-A13 PolarHBondContact O-N 3.35Å; R9-A13 VanDerWaalsContact O-N 3.15Å
10F82Confident75.1Confident141 Ų14190.4 Ų90.462%0.61851%0.513SS*.Hα-helixtrans-63.4-48.3176.6-177.4-102.7000111.6S6 Y12 A13 V14S6-F10 PolarHBondContact O-N 2.95Å; F10-Y12 VanDerWaalsContact C-N 3.32Å; F10-Y12 PolarHBondContact O-N 3Å; F10-A13 PolarHBondContact O-N 2.98Å; F10-V14 HydrophobicContact CD1-CG2 4.22Å; F10-V14 HydrophobicContact CE1-CG2 3.84Å; F10-V14 HydrophobicContact CE2-CG2 4.22Å; F10-V14 HydrophobicContact CZ-CG2 3.84Å; F10-V14 WeakPolarHBondContact O-CG2 3.49Å; F10-V14 PolarHBondContact O-N 3.47Å
11G86.8Confident76.2Confident32 Ų3287.9 Ų87.933%0.3350%0.501SS..Hα-helixtrans-59.7-39.1177.900000113.8P7 V14 L15P7-G11 PolarHBondContact O-N 3.49Å; P7-G11 VanDerWaalsContact O-N 3.17Å; G11-V14 PolarHBondContact O-N 3.5Å; G11-L15 WeakPolarHBondContact O-CG 3.39Å; G11-L15 PolarHBondContact O-N 2.98Å
12Y89.3Confident79Confident51 Ų5177.2 Ų77.220%0.245%0.447CS..Hα-helixtrans-63-46.9174.9167.1-97.9000112.2R9 F10 V14 L15 K16 D82 Y251 R254 V255 I258R9-Y12 PolarHBondContact O-N 3.45Å; F10-Y12 VanDerWaalsContact C-N 3.32Å; F10-Y12 PolarHBondContact O-N 3Å; Y12-V14 VanDerWaalsContact C-N 3.33Å; Y12-V14 PolarHBondContact O-N 3.11Å; Y12-L15 PolarHBondContact O-N 3.11Å; Y12-K16 HydrophobicContact CE1-CD 4.28Å; Y12-K16 WeakPolarHBondContact O-CB 3.43Å; Y12-K16 PolarHBondContact O-N 3.33Å; Y12-K16 PolarHBondContact OH-NZ 3.21Å; Y12-D82 PolarHBondContact OH-OD1 3.15Å; Y12-D82 PolarHBondContact OH-OD2 3.35Å; Y12-D82 VanDerWaalsContact OH-OD2 3.07Å; Y12-Y251 AromaticContact CD2-CE2 3.89Å; Y12-Y251 HydrophobicContact CD2-CE2 3.89Å; Y12-Y251 AromaticContact CE2-CE2 3.49Å; Y12-Y251 HydrophobicContact CE2-CE2 3.49Å; Y12-Y251 VanDerWaalsContact CE2-CE2 3.49Å; Y12-Y251 AromaticContact CE2-CZ 3.8Å; Y12-Y251 WeakPolarHBondContact CE2-OH 3.36Å; Y12-Y251 PolarHBondContact OH-OH 3.49Å; Y12-Y251 VanDerWaalsContact OH-OH 3.1Å; Y12-R254 HydrophobicContact CD2-CG 4.19Å; Y12-V255 HydrophobicContact CE2-CG2 3.89Å; Y12-I258 HydrophobicContact CD2-CD1 4.11Å; Y12-I258 HydrophobicContact CG-CD1 4.44Å
13A90.6Very high81.8Confident54 Ų5472.3 Ų72.345%0.44641%0.407SS..Hα-helixtrans-63.2-40179.400000112.1R9 F10 K16 F17R9-A13 PolarHBondContact O-N 3.35Å; R9-A13 VanDerWaalsContact O-N 3.15Å; F10-A13 PolarHBondContact O-N 2.98Å; A13-K16 PolarHBondContact O-N 3.49Å; A13-F17 WeakPolarHBondContact O-CB 3.38Å; A13-F17 PolarHBondContact O-N 2.97Å
14V94.1Very high84.3Confident57 Ų5770 Ų7035%0.34538%0.378SS..Hα-helixtrans-63.4-48.8175.51720000111.1F10 G11 Y12 K16 F17 I18F10-V14 HydrophobicContact CD1-CG2 4.22Å; F10-V14 HydrophobicContact CE1-CG2 3.84Å; F10-V14 HydrophobicContact CE2-CG2 4.22Å; F10-V14 HydrophobicContact CZ-CG2 3.84Å; F10-V14 WeakPolarHBondContact O-CG2 3.49Å; F10-V14 PolarHBondContact O-N 3.47Å; G11-V14 PolarHBondContact O-N 3.5Å; Y12-V14 VanDerWaalsContact C-N 3.33Å; Y12-V14 PolarHBondContact O-N 3.11Å; V14-K16 VanDerWaalsContact C-N 3.33Å; V14-K16 PolarHBondContact O-N 3.3Å; V14-F17 PolarHBondContact O-N 3.36Å; V14-I18 HydrophobicContact CG1-CD1 3.68Å; V14-I18 HydrophobicContact CG1-CG1 4.39Å; V14-I18 VanDerWaalsContact O-CG1 3.29Å; V14-I18 WeakPolarHBondContact O-CG1 3.34Å; V14-I18 PolarHBondContact O-N 3.02Å
15L94.1Very high87.1Confident41 Ų4168.4 Ų68.422%0.21536%0.363CS..Hα-helixtrans-61.5-41.1177.6-72.9172.3000112.1G11 Y12 I18 L19 L250 Y251G11-L15 WeakPolarHBondContact O-CG 3.39Å; G11-L15 PolarHBondContact O-N 2.98Å; Y12-L15 PolarHBondContact O-N 3.11Å; L15-I18 PolarHBondContact O-N 3.44Å; L15-L19 WeakPolarHBondContact O-CB 3.31Å; L15-L19 PolarHBondContact O-N 3.31Å; L15-L250 HydrophobicContact CD1-CB 4.41Å; L15-L250 HydrophobicContact CD2-CB 4.26Å; L15-L250 HydrophobicContact CD2-CD1 4.46Å; L15-Y251 HydrophobicContact CB-CD2 3.89Å
16K94.8Very high89.4Confident51 Ų5166.5 Ų66.522%0.22234%0.344CS..Hα-helixtrans-59-48.2175.1-173167.9-175146.30111.1Y12 A13 V14 L19 F20 S79 D82 Y251Y12-K16 HydrophobicContact CE1-CD 4.28Å; Y12-K16 WeakPolarHBondContact O-CB 3.43Å; Y12-K16 PolarHBondContact O-N 3.33Å; Y12-K16 PolarHBondContact OH-NZ 3.21Å; A13-K16 PolarHBondContact O-N 3.49Å; V14-K16 VanDerWaalsContact C-N 3.33Å; V14-K16 PolarHBondContact O-N 3.3Å; K16-L19 PolarHBondContact O-N 3.01Å; K16-F20 VanDerWaalsContact O-CB 3.22Å; K16-F20 WeakPolarHBondContact O-CB 3.38Å; K16-F20 PolarHBondContact O-N 2.86Å; K16-S79 WeakPolarHBondContact CE-O 3.35Å; K16-S79 PolarHBondContact NZ-O 2.93Å; K16-D82 IonicContact NZ-OD1 2.84Å; K16-D82 PolarHBondContact NZ-OD1 3.42Å; K16-D82 IonicContact NZ-OD2 2.82Å; K16-D82 PolarHBondContact NZ-OD2 3.41Å; K16-Y251 HydrophobicContact CB-CD2 4.49Å; K16-Y251 HydrophobicContact CB-CE2 3.6Å; K16-Y251 WeakPolarHBondContact CD-OH 3.39Å; K16-Y251 HydrophobicContact CG-CE2 4.15Å; K16-Y251 WeakPolarHBondContact CG-OH 3.41Å
17F95.8Very high91.2Very high143 Ų14368.4 Ų68.463%0.62735%0.345SS*.Hα-helixtrans-64-43-180-178.4-99.8000112.2A13 V14 S21A13-F17 WeakPolarHBondContact O-CB 3.38Å; A13-F17 PolarHBondContact O-N 2.97Å; V14-F17 PolarHBondContact O-N 3.36Å; F17-S21 VanDerWaalsContact O-CB 3.22Å; F17-S21 WeakPolarHBondContact O-CB 3.43Å; F17-S21 PolarHBondContact O-N 3.4Å; F17-S21 PolarHBondContact O-OG 2.95Å
18I96.9Very high92.7Very high62 Ų6268.3 Ų68.332%0.31834%0.338SS..Hα-helixtrans-63-48.4177.4-68.1168.4000110.7V14 L15 S21 Y22 F243 I247V14-I18 HydrophobicContact CG1-CD1 3.68Å; V14-I18 HydrophobicContact CG1-CG1 4.39Å; V14-I18 VanDerWaalsContact O-CG1 3.29Å; V14-I18 WeakPolarHBondContact O-CG1 3.34Å; V14-I18 PolarHBondContact O-N 3.02Å; L15-I18 PolarHBondContact O-N 3.44Å; I18-S21 PolarHBondContact O-N 3.01Å; I18-Y22 VanDerWaalsContact O-CB 3.28Å; I18-Y22 WeakPolarHBondContact O-CB 3.29Å; I18-Y22 PolarHBondContact O-N 3.46Å; I18-F243 HydrophobicContact CG2-CE1 4.32Å; I18-F243 HydrophobicContact CG2-CZ 3.98Å; I18-I247 HydrophobicContact CG2-CD1 4.23Å; I18-I247 HydrophobicContact CG2-CG2 4.18Å
19L96.9Very high94Very high0 Ų065.7 Ų65.70%033%0.327CS..Hα-helixtrans-64.4-44.3179.8177.463.6000112.2L15 K16 Y22 A23 L87 F90 I247 T248 Y251L15-L19 WeakPolarHBondContact O-CB 3.31Å; L15-L19 PolarHBondContact O-N 3.31Å; K16-L19 PolarHBondContact O-N 3.01Å; L19-Y22 PolarHBondContact O-N 3.05Å; L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 3.29Å; L19-L87 HydrophobicContact CD2-CD2 3.71Å; L19-F90 HydrophobicContact CD1-CE1 3.93Å; L19-I247 HydrophobicContact CB-CD1 4.47Å; L19-I247 HydrophobicContact CD1-CD1 3.96Å; L19-I247 HydrophobicContact CD1-CG1 3.97Å; L19-T248 WeakPolarHBondContact CD1-OG1 3.4Å; L19-Y251 HydrophobicContact CD2-CD1 3.38Å; L19-Y251 HydrophobicContact CD2-CE1 4.09Å; L19-Y251 HydrophobicContact CD2-CG 3.77Å
20F97.4Very high95.1Very high69 Ų6956.6 Ų56.630%0.30329%0.293SS..Hα-helixtrans-61.2-47.7176.4176.2-101000111K16 Y22 A23 C24 V76 L80K16-F20 VanDerWaalsContact O-CB 3.22Å; K16-F20 WeakPolarHBondContact O-CB 3.38Å; K16-F20 PolarHBondContact O-N 2.86Å; F20-Y22 PolarHBondContact O-N 2.93Å; F20-A23 PolarHBondContact O-N 3.22Å; F20-C24 WeakPolarHBondContact CZ-SG 3.49Å; F20-C24 WeakPolarHBondContact O-CB 3.36Å; F20-C24 PolarHBondContact O-N 3.43Å; F20-C24 PolarHBondContact O-SG 3.49Å; F20-C24 VanDerWaalsContact O-SG 3.39Å; F20-V76 HydrophobicContact CD2-CG1 4.34Å; F20-V76 HydrophobicContact CE2-CG1 3.88Å; F20-L80 HydrophobicContact CD2-CD2 3.92Å; F20-L80 HydrophobicContact CD2-CG 3.98Å; F20-L80 HydrophobicContact CE2-CD1 4Å; F20-L80 HydrophobicContact CE2-CD2 3.62Å; F20-L80 HydrophobicContact CE2-CG 3.74Å; F20-L80 HydrophobicContact CZ-CD2 4.39Å
21S97.7Very high95.8Very high39 Ų3952.5 Ų52.527%0.27328%0.28SS..Hα-helixtrans-62-44.3178.6-58.40000111.7F17 I18 C24 V25F17-S21 VanDerWaalsContact O-CB 3.22Å; F17-S21 WeakPolarHBondContact O-CB 3.43Å; F17-S21 PolarHBondContact O-N 3.4Å; F17-S21 PolarHBondContact O-OG 2.95Å; I18-S21 PolarHBondContact O-N 3.01Å; S21-C24 PolarHBondContact O-N 3.29Å; S21-V25 WeakPolarHBondContact O-CG2 3.29Å; S21-V25 PolarHBondContact O-N 3.07Å
22Y97.9Very high96.4Very high24 Ų2457.4 Ų57.49%0.09429%0.292CS..Hα-helixtrans-56-54.2174172.4-90.6000111I18 L19 F20 C24 V25 F26 F90 L94 P240 F243 G244 I247I18-Y22 VanDerWaalsContact O-CB 3.28Å; I18-Y22 WeakPolarHBondContact O-CB 3.29Å; I18-Y22 PolarHBondContact O-N 3.46Å; L19-Y22 PolarHBondContact O-N 3.05Å; F20-Y22 PolarHBondContact O-N 2.93Å; Y22-C24 VanDerWaalsContact C-N 3.33Å; Y22-C24 PolarHBondContact O-N 3.06Å; Y22-V25 PolarHBondContact O-N 3.41Å; Y22-F26 HydrophobicContact CD1-CD2 4.26Å; Y22-F26 AromaticContact CD2-CD2 3.95Å; Y22-F26 HydrophobicContact CD2-CD2 3.95Å; Y22-F26 AromaticContact CD2-CE2 3.68Å; Y22-F26 HydrophobicContact CD2-CE2 3.68Å; Y22-F26 AromaticContact CE1-CD2 3.96Å; Y22-F26 HydrophobicContact CE1-CD2 3.96Å; Y22-F26 HydrophobicContact CE1-CE2 4.31Å; Y22-F26 AromaticContact CE2-CD2 3.66Å; Y22-F26 HydrophobicContact CE2-CD2 3.66Å; Y22-F26 AromaticContact CE2-CE2 3.18Å; Y22-F26 HydrophobicContact CE2-CE2 3.18Å; Y22-F26 HydrophobicContact CE2-CZ 4.15Å; Y22-F26 HydrophobicContact CG-CD2 4.23Å; Y22-F26 HydrophobicContact CG-CE2 4.41Å; Y22-F26 AromaticContact CZ-CD2 3.63Å; Y22-F26 AromaticContact CZ-CE2 3.52Å; Y22-F26 WeakPolarHBondContact O-CD2 3.34Å; Y22-F26 PolarHBondContact O-N 2.72Å; Y22-F26 VanDerWaalsContact O-N 3.14Å; Y22-F90 HydrophobicContact CD1-CZ 4.27Å; Y22-F90 HydrophobicContact CE1-CE1 4.43Å; Y22-F90 AromaticContact CE1-CZ 3.89Å; Y22-F90 HydrophobicContact CE1-CZ 3.89Å; Y22-L94 HydrophobicContact CE1-CD1 4.47Å; Y22-P240 WeakPolarHBondContact CE2-O 3.47Å; Y22-P240 PolarHBondContact OH-O 2.95Å; Y22-F243 AromaticContact CD2-CD1 3.9Å; Y22-F243 HydrophobicContact CD2-CD1 3.9Å; Y22-F243 HydrophobicContact CD2-CE1 4.15Å; Y22-F243 HydrophobicContact CE2-CD1 4.09Å; Y22-G244 VanDerWaalsContact CZ-CA 3.49Å; Y22-I247 HydrophobicContact CD1-CD1 3.98Å; Y22-I247 HydrophobicContact CD2-CD1 4.12Å; Y22-I247 HydrophobicContact CG-CD1 3.67Å
23A97.6Very high96.7Very high0 Ų057.3 Ų57.30%030%0.295CS..Hα-helixtrans-63.5-37.9-178.300000112.3L19 F20 W27 V76L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 3.29Å; F20-A23 PolarHBondContact O-N 3.22Å; A23-W27 WeakPolarHBondContact O-CB 3.22Å; A23-W27 PolarHBondContact O-N 3.09Å; A23-V76 HydrophobicContact CB-CG2 3.67Å
24C97.9Very high97Very high31 Ų3156.2 Ų56.221%0.20928%0.281CS..Hα-helixtrans-64.1-43.5175.4-78.50000112.6F20 S21 Y22 W27 L28F20-C24 WeakPolarHBondContact CZ-SG 3.49Å; F20-C24 WeakPolarHBondContact O-CB 3.36Å; F20-C24 PolarHBondContact O-N 3.43Å; F20-C24 PolarHBondContact O-SG 3.49Å; F20-C24 VanDerWaalsContact O-SG 3.39Å; S21-C24 PolarHBondContact O-N 3.29Å; Y22-C24 VanDerWaalsContact C-N 3.33Å; Y22-C24 PolarHBondContact O-N 3.06Å; C24-W27 PolarHBondContact O-N 3.42Å; C24-L28 WeakPolarHBondContact O-CG 3.39Å; C24-L28 PolarHBondContact O-N 3.4Å
25V97.9Very high97.2Very high77 Ų7756.1 Ų56.147%0.46729%0.286SS..Hα-helixtrans-60.5-49.1177.4168.20000110.5S21 Y22 W27 L28 I29S21-V25 WeakPolarHBondContact O-CG2 3.29Å; S21-V25 PolarHBondContact O-N 3.07Å; Y22-V25 PolarHBondContact O-N 3.41Å; V25-W27 VanDerWaalsContact C-N 3.3Å; V25-W27 PolarHBondContact O-N 3.17Å; V25-L28 PolarHBondContact O-N 3.32Å; V25-I29 HydrophobicContact CG1-CD1 3.75Å; V25-I29 HydrophobicContact CG1-CG1 4.47Å; V25-I29 VanDerWaalsContact O-CG1 3.3Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 3.35Å
26F97.3Very high97.3Very high56 Ų5657.7 Ų57.725%0.24629%0.294CS..Hα-helixtrans-67-31.4178.6-80.3-77.8000113.2Y22 I29 G30 S72 P240Y22-F26 HydrophobicContact CD1-CD2 4.26Å; Y22-F26 AromaticContact CD2-CD2 3.95Å; Y22-F26 HydrophobicContact CD2-CD2 3.95Å; Y22-F26 AromaticContact CD2-CE2 3.68Å; Y22-F26 HydrophobicContact CD2-CE2 3.68Å; Y22-F26 AromaticContact CE1-CD2 3.96Å; Y22-F26 HydrophobicContact CE1-CD2 3.96Å; Y22-F26 HydrophobicContact CE1-CE2 4.31Å; Y22-F26 AromaticContact CE2-CD2 3.66Å; Y22-F26 HydrophobicContact CE2-CD2 3.66Å; Y22-F26 AromaticContact CE2-CE2 3.18Å; Y22-F26 HydrophobicContact CE2-CE2 3.18Å; Y22-F26 HydrophobicContact CE2-CZ 4.15Å; Y22-F26 HydrophobicContact CG-CD2 4.23Å; Y22-F26 HydrophobicContact CG-CE2 4.41Å; Y22-F26 AromaticContact CZ-CD2 3.63Å; Y22-F26 AromaticContact CZ-CE2 3.52Å; Y22-F26 WeakPolarHBondContact O-CD2 3.34Å; Y22-F26 PolarHBondContact O-N 2.72Å; Y22-F26 VanDerWaalsContact O-N 3.14Å; F26-I29 PolarHBondContact O-N 2.92Å; F26-G30 PolarHBondContact O-N 3.42Å; F26-S72 WeakPolarHBondContact CB-OG 3.38Å; F26-P240 HydrophobicContact CE2-CB 4.27Å; F26-P240 HydrophobicContact CZ-CB 3.61Å
27W98.2Very high97.2Very high81 Ų8155.2 Ų55.231%0.30728%0.283SS..Hα-helixtrans-65.8-42.2173.4-178.969.2000112.2A23 C24 V25 G30 T31 F69 F73A23-W27 WeakPolarHBondContact O-CB 3.22Å; A23-W27 PolarHBondContact O-N 3.09Å; C24-W27 PolarHBondContact O-N 3.42Å; V25-W27 VanDerWaalsContact C-N 3.3Å; V25-W27 PolarHBondContact O-N 3.17Å; W27-G30 PolarHBondContact O-N 3.46Å; W27-T31 WeakPolarHBondContact O-CB 3.45Å; W27-T31 PolarHBondContact O-N 2.89Å; W27-T31 PolarHBondContact O-OG1 3.35Å; W27-F69 AromaticContact CD1-CD2 3.76Å; W27-F69 AromaticContact CD1-CE2 3.86Å; W27-F69 AromaticContact CE2-CE2 3.66Å; W27-F69 AromaticContact CZ2-CE2 3.96Å; W27-F69 HydrophobicContact CZ2-CE2 3.96Å; W27-F69 HydrophobicContact CZ2-CZ 4.37Å; W27-F69 AromaticContact NE1-CD2 3.4Å; W27-F69 AromaticContact NE1-CE2 3.01Å; W27-F69 AromaticContact NE1-CZ 3.47Å; W27-F73 AromaticContact NE1-CD2 3.86Å
28L98.1Very high97.2Very high109 Ų10953 Ų5357%0.57128%0.277SS*.Hα-helixtrans-65.7-44.1174.8-68.6175.3000111.7C24 V25 G30 T31 F32C24-L28 WeakPolarHBondContact O-CG 3.39Å; C24-L28 PolarHBondContact O-N 3.4Å; V25-L28 PolarHBondContact O-N 3.32Å; L28-G30 PolarHBondContact O-N 2.9Å; L28-T31 PolarHBondContact O-N 3.41Å; L28-F32 WeakPolarHBondContact O-CB 3.45Å; L28-F32 PolarHBondContact O-N 3.07Å
29I97.5Very high97Very high71 Ų7157.8 Ų57.836%0.36429%0.292SS..Hα-helixtrans-61.1-45.4175.5-65.2167.7000110.4V25 F26 T31 F32 I33 M68V25-I29 HydrophobicContact CG1-CD1 3.75Å; V25-I29 HydrophobicContact CG1-CG1 4.47Å; V25-I29 VanDerWaalsContact O-CG1 3.3Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 3.35Å; F26-I29 PolarHBondContact O-N 2.92Å; I29-T31 PolarHBondContact O-N 3.24Å; I29-F32 PolarHBondContact O-N 3.02Å; I29-I33 HydrophobicContact CG2-CD1 3.86Å; I29-I33 HydrophobicContact CG2-CG1 4.47Å; I29-I33 WeakPolarHBondContact O-CG1 3.39Å; I29-I33 PolarHBondContact O-N 2.95Å; I29-M68 HydrophobicContact CG2-CE 3.95Å
30G97.7Very high96.6Very high0 Ų059.5 Ų59.50%031%0.306CS..Hα-helixtrans-61-42.617700000112.6F26 W27 L28 F32 I33 L34F26-G30 PolarHBondContact O-N 3.42Å; W27-G30 PolarHBondContact O-N 3.46Å; L28-G30 PolarHBondContact O-N 2.9Å; G30-F32 VanDerWaalsContact C-N 3.35Å; G30-F32 PolarHBondContact O-N 3.1Å; G30-I33 PolarHBondContact O-N 3.43Å; G30-L34 VanDerWaalsContact O-CB 3.22Å; G30-L34 WeakPolarHBondContact O-CB 3.45Å; G30-L34 PolarHBondContact O-N 3.23Å
31T97.9Very high96.1Very high55 Ų5557.5 Ų57.534%0.33730%0.298SS..Hα-helixtrans-61.6-43.5175-55.60000111.4W27 L28 I29 L34 A35 F69W27-T31 WeakPolarHBondContact O-CB 3.45Å; W27-T31 PolarHBondContact O-N 2.89Å; W27-T31 PolarHBondContact O-OG1 3.35Å; L28-T31 PolarHBondContact O-N 3.41Å; I29-T31 PolarHBondContact O-N 3.24Å; T31-L34 PolarHBondContact O-N 2.94Å; T31-A35 WeakPolarHBondContact O-CB 3.29Å; T31-A35 PolarHBondContact O-N 3Å; T31-F69 VanDerWaalsContact OG1-CD2 3.32Å; T31-F69 WeakPolarHBondContact OG1-CD2 3.36Å; T31-F69 WeakPolarHBondContact OG1-CE2 3.37Å
32F98Very high95.7Very high135 Ų13558 Ų5859%0.59230%0.304SS*.Hα-helixtrans-65.1-47178.8-179.5-109.4000112.3L28 I29 G30 L34 A35 I36L28-F32 WeakPolarHBondContact O-CB 3.45Å; L28-F32 PolarHBondContact O-N 3.07Å; I29-F32 PolarHBondContact O-N 3.02Å; G30-F32 VanDerWaalsContact C-N 3.35Å; G30-F32 PolarHBondContact O-N 3.1Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.42Å; F32-A35 PolarHBondContact O-N 2.91Å; F32-I36 HydrophobicContact CD1-CD1 3.81Å; F32-I36 HydrophobicContact CE1-CD1 3.31Å; F32-I36 HydrophobicContact CE1-CG1 4.44Å; F32-I36 HydrophobicContact CE2-CD1 4.09Å; F32-I36 HydrophobicContact CG-CD1 4.41Å; F32-I36 HydrophobicContact CZ-CD1 3.48Å; F32-I36 VanDerWaalsContact CZ-CD1 3.48Å; F32-I36 HydrophobicContact CZ-CG1 4.34Å; F32-I36 WeakPolarHBondContact O-CG1 3.49Å; F32-I36 PolarHBondContact O-N 3.46Å
33I97Very high95.1Very high49 Ų4960.2 Ų60.225%0.25132%0.315SS..Hα-helixtrans-62.4-41.9176.6-70.6173.7000110.9I29 G30 A35 I36 G37 L61 M68I29-I33 HydrophobicContact CG2-CD1 3.86Å; I29-I33 HydrophobicContact CG2-CG1 4.47Å; I29-I33 WeakPolarHBondContact O-CG1 3.39Å; I29-I33 PolarHBondContact O-N 2.95Å; G30-I33 PolarHBondContact O-N 3.43Å; I33-A35 VanDerWaalsContact C-N 3.35Å; I33-A35 PolarHBondContact O-N 3.47Å; I33-I36 PolarHBondContact O-N 3.38Å; I33-G37 PolarHBondContact O-N 3.37Å; I33-L61 HydrophobicContact CG2-CD2 4.37Å; I33-M68 HydrophobicContact CD1-CE 3.66Å
34L97.4Very high94.1Very high30 Ų3061.9 Ų61.916%0.15732%0.322CS..Hα-helixtrans-61.7-43.2176.1-178.755.2000111.7G30 T31 F32 G37 I38 I62 I66G30-L34 VanDerWaalsContact O-CB 3.22Å; G30-L34 WeakPolarHBondContact O-CB 3.45Å; G30-L34 PolarHBondContact O-N 3.23Å; T31-L34 PolarHBondContact O-N 2.94Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.42Å; L34-G37 PolarHBondContact O-N 3.07Å; L34-I38 HydrophobicContact CD1-CD1 3.9Å; L34-I38 HydrophobicContact CD1-CG1 4.15Å; L34-I38 HydrophobicContact CG-CD1 3.9Å; L34-I38 VanDerWaalsContact O-CG1 3.29Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 3.33Å; L34-I62 HydrophobicContact CD1-CG2 4.1Å; L34-I66 HydrophobicContact CD1-CD1 4.4Å; L34-I66 HydrophobicContact CD1-CG1 3.62Å; L34-I66 HydrophobicContact CD2-CG1 4.15Å
35A97.4Very high93.2Very high56 Ų5664.9 Ų64.946%0.46334%0.335SS..Hα-helixtrans-61.9-44.1176.400000112T31 F32 I33 I38 Y39T31-A35 WeakPolarHBondContact O-CB 3.29Å; T31-A35 PolarHBondContact O-N 3Å; F32-A35 PolarHBondContact O-N 2.91Å; I33-A35 VanDerWaalsContact C-N 3.35Å; I33-A35 PolarHBondContact O-N 3.47Å; A35-I38 PolarHBondContact O-N 2.92Å; A35-Y39 VanDerWaalsContact O-CB 3.31Å; A35-Y39 WeakPolarHBondContact O-CB 3.45Å; A35-Y39 PolarHBondContact O-N 2.93Å
36I95.8Very high92.2Very high73 Ų7370.9 Ų70.937%0.37435%0.349SS..Hα-helixtrans-61.5-45.4174.5-69.2171.5000110.9F32 I33 I38 Y39 A40F32-I36 HydrophobicContact CD1-CD1 3.81Å; F32-I36 HydrophobicContact CE1-CD1 3.31Å; F32-I36 HydrophobicContact CE1-CG1 4.44Å; F32-I36 HydrophobicContact CE2-CD1 4.09Å; F32-I36 HydrophobicContact CG-CD1 4.41Å; F32-I36 HydrophobicContact CZ-CD1 3.48Å; F32-I36 VanDerWaalsContact CZ-CD1 3.48Å; F32-I36 HydrophobicContact CZ-CG1 4.34Å; F32-I36 WeakPolarHBondContact O-CG1 3.49Å; F32-I36 PolarHBondContact O-N 3.46Å; I33-I36 PolarHBondContact O-N 3.38Å; I36-I38 PolarHBondContact O-N 3.27Å; I36-Y39 PolarHBondContact O-N 3.21Å; I36-A40 WeakPolarHBondContact O-CB 3.32Å; I36-A40 PolarHBondContact O-N 3.18Å
37G93.8Very high90.8Very high0 Ų075.7 Ų75.70%037%0.37CS..Hα-helixtrans-60.3-46.7179.500000112.3I33 L34 A40 E41I33-G37 PolarHBondContact O-N 3.37Å; L34-G37 PolarHBondContact O-N 3.07Å; G37-A40 PolarHBondContact O-N 3.46Å; G37-E41 PolarHBondContact O-N 3.15Å
38I93.9Very high89.1Confident95 Ų9574.4 Ų74.449%0.48737%0.367SS..Hα-helixtrans-63-44.4176.7-67.8167.5000110.7L34 A35 I36 E41 A42 I62L34-I38 HydrophobicContact CD1-CD1 3.9Å; L34-I38 HydrophobicContact CD1-CG1 4.15Å; L34-I38 HydrophobicContact CG-CD1 3.9Å; L34-I38 VanDerWaalsContact O-CG1 3.29Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 3.33Å; A35-I38 PolarHBondContact O-N 2.92Å; I36-I38 PolarHBondContact O-N 3.27Å; I38-E41 PolarHBondContact O-N 2.95Å; I38-A42 VanDerWaalsContact O-CB 3.29Å; I38-A42 WeakPolarHBondContact O-CB 3.47Å; I38-A42 PolarHBondContact O-N 3.13Å; I38-I62 HydrophobicContact CG1-CG1 4.38Å
39Y93.6Very high86.9Confident163 Ų16376 Ų7664%0.63938%0.382SS*.Hα-helixtrans-61.1-46.6177.6177-100.5000111.8A35 I36 E41 A42 E43A35-Y39 VanDerWaalsContact O-CB 3.31Å; A35-Y39 WeakPolarHBondContact O-CB 3.45Å; A35-Y39 PolarHBondContact O-N 2.93Å; I36-Y39 PolarHBondContact O-N 3.21Å; Y39-E41 PolarHBondContact O-N 3.43Å; Y39-A42 PolarHBondContact O-N 2.98Å; Y39-E43 PolarHBondContact O-N 2.9Å
40A88.6Confident84.7Confident36 Ų3679.2 Ų79.230%0.29840%0.399SS..Hα-helixtrans-62.1-42.8178.500000112.2I36 G37 E43 R44I36-A40 WeakPolarHBondContact O-CB 3.32Å; I36-A40 PolarHBondContact O-N 3.18Å; G37-A40 PolarHBondContact O-N 3.46Å; A40-E43 PolarHBondContact O-N 2.89Å; A40-R44 WeakPolarHBondContact O-CB 3.45Å; A40-R44 PolarHBondContact O-N 3.31Å
41E87.3Confident82.3Confident28 Ų2887.1 Ų87.113%0.13144%0.441CS..Hα-helixtrans-69.6-37.2177.1-167.762.2-160.400112.1G37 I38 Y39 E43 R44 L45 S58 I62G37-E41 PolarHBondContact O-N 3.15Å; I38-E41 PolarHBondContact O-N 2.95Å; Y39-E41 PolarHBondContact O-N 3.43Å; E41-E43 VanDerWaalsContact C-N 3.32Å; E41-E43 PolarHBondContact O-N 2.96Å; E41-R44 WeakPolarHBondContact O-CB 3.39Å; E41-R44 PolarHBondContact O-N 2.92Å; E41-R44 IonicContact OE1-CZ 2.77Å; E41-R44 IonicContact OE1-NH1 3.76Å; E41-R44 PolarHBondContact OE1-NH1 3.33Å; E41-R44 IonicContact OE2-NH1 2.95Å; E41-L45 HydrophobicContact CG-CD1 4.26Å; E41-L45 HydrophobicContact CG-CG 4.47Å; E41-L45 WeakPolarHBondContact O-CB 3.34Å; E41-L45 VanDerWaalsContact O-CG 3.32Å; E41-L45 WeakPolarHBondContact O-CG 3.33Å; E41-L45 PolarHBondContact O-N 3.33Å; E41-S58 VanDerWaalsContact OE2-CB 3.27Å; E41-S58 WeakPolarHBondContact OE2-CB 3.17Å; E41-S58 PolarHBondContact OE2-OG 2.94Å; E41-I62 HydrophobicContact CB-CD1 3.83Å; E41-I62 HydrophobicContact CG-CD1 4.35Å
42A88.3Confident80Confident48 Ų4887.3 Ų87.340%0.39745%0.448SS..Hα-helixtrans-62.2-41.5176.100000111.7I38 Y39 R46I38-A42 VanDerWaalsContact O-CB 3.29Å; I38-A42 WeakPolarHBondContact O-CB 3.47Å; I38-A42 PolarHBondContact O-N 3.13Å; Y39-A42 PolarHBondContact O-N 2.98Å; A42-R46 WeakPolarHBondContact O-CG 3.38Å; A42-R46 PolarHBondContact O-N 2.85Å
43E85.1Confident77.6Confident71 Ų7190 Ų9033%0.33247%0.467SS..Hα-helixtrans-65.1-47.7174.2-163.871.6171.800110.4Y39 A40 E41 L45 R46 F47Y39-E43 PolarHBondContact O-N 2.9Å; A40-E43 PolarHBondContact O-N 2.89Å; E41-E43 VanDerWaalsContact C-N 3.32Å; E41-E43 PolarHBondContact O-N 2.96Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 2.9Å; E43-R46 WeakPolarHBondContact O-CB 3.45Å; E43-R46 PolarHBondContact O-N 2.7Å; E43-F47 HydrophobicContact CG-CD2 4.11Å; E43-F47 HydrophobicContact CG-CE2 4.02Å; E43-F47 VanDerWaalsContact O-CD2 3.29Å; E43-F47 WeakPolarHBondContact O-CD2 3.42Å; E43-F47 PolarHBondContact O-N 3.14Å; E43-F47 WeakPolarHBondContact OE1-CE2 3.43Å
44R77.6Confident75.5Confident36 Ų3691.3 Ų91.314%0.13647%0.472CS..Hα-helixtrans-53.7-43.8176.9-176.6179.7175.8-102.1-2.7112.8A40 E41 R46 F47 K48A40-R44 WeakPolarHBondContact O-CB 3.45Å; A40-R44 PolarHBondContact O-N 3.31Å; E41-R44 WeakPolarHBondContact O-CB 3.39Å; E41-R44 PolarHBondContact O-N 2.92Å; E41-R44 IonicContact OE1-CZ 2.77Å; E41-R44 IonicContact OE1-NH1 3.76Å; E41-R44 PolarHBondContact OE1-NH1 3.33Å; E41-R44 IonicContact OE2-NH1 2.95Å; R44-R46 VanDerWaalsContact C-N 3.33Å; R44-R46 PolarHBondContact O-N 3.27Å; R44-F47 PolarHBondContact O-N 2.95Å; R44-K48 HydrophobicContact CG-CD 4.32Å; R44-K48 PolarHBondContact O-N 3.38Å; R44-K48 VanDerWaalsContact O-N 3.13Å
45L78.5Confident73.7Confident93 Ų9396 Ų9649%0.48750%0.496SS..Hα-helixtrans-69.2-26.8178.8-71.8170.7000113.5E41 E43 L50E41-L45 HydrophobicContact CG-CD1 4.26Å; E41-L45 HydrophobicContact CG-CG 4.47Å; E41-L45 WeakPolarHBondContact O-CB 3.34Å; E41-L45 VanDerWaalsContact O-CG 3.32Å; E41-L45 WeakPolarHBondContact O-CG 3.33Å; E41-L45 PolarHBondContact O-N 3.33Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 2.9Å; L45-L50 HydrophobicContact CD2-CD2 3.99Å
46R76.7Confident72.5Confident203 Ų20393.6 Ų93.677%0.76648%0.477SS*.Hα-helixtrans-72.5-32.9176.6-78.8-179.7169.3-175.9-2.8112.9A42 E43 R44A42-R46 WeakPolarHBondContact O-CG 3.38Å; A42-R46 PolarHBondContact O-N 2.85Å; E43-R46 WeakPolarHBondContact O-CB 3.45Å; E43-R46 PolarHBondContact O-N 2.7Å; R44-R46 VanDerWaalsContact C-N 3.33Å; R44-R46 PolarHBondContact O-N 3.27Å
47F68.1Low71.8Confident157 Ų15793.4 Ų93.469%0.68948%0.48SS*.Hα-helixtrans-101.8-13.3-174.2-68.9-84000114.6E43 R44E43-F47 HydrophobicContact CG-CD2 4.11Å; E43-F47 HydrophobicContact CG-CE2 4.02Å; E43-F47 VanDerWaalsContact O-CD2 3.29Å; E43-F47 WeakPolarHBondContact O-CD2 3.42Å; E43-F47 PolarHBondContact O-N 3.14Å; E43-F47 WeakPolarHBondContact OE1-CE2 3.43Å; R44-F47 PolarHBondContact O-N 2.95Å
48K62.9Low71.4Confident55 Ų5593.9 Ų93.924%0.23948%0.484CS..SBendtrans-111.9128.7177.6-73.4-177.3177.4162.10112.6R44 L50 D132 D133 D135R44-K48 HydrophobicContact CG-CD 4.32Å; R44-K48 PolarHBondContact O-N 3.38Å; R44-K48 VanDerWaalsContact O-N 3.13Å; K48-L50 PolarHBondContact O-N 3.42Å; K48-D132 WeakPolarHBondContact CE-O 3.29Å; K48-D133 IonicContact NZ-OD1 2.87Å; K48-D133 PolarHBondContact NZ-OD1 3.38Å; K48-D133 IonicContact NZ-OD2 3.8Å; K48-D133 PolarHBondContact NZ-OD2 2.91Å; K48-D135 IonicContact NZ-OD2 3.83Å
49T52.6Low71.2Confident143 Ų14391.9 Ų91.988%0.87747%0.473SS*.  trans-65.7112161.3-30.10000107.8N51T49-N51 PolarHBondContact O-N 2.89Å
50L51.3Low71Confident137 Ų13788 Ų8872%0.71746%0.463SS*.SBendtrans-37100.4177.5-71158.7000112.6L45 K48L45-L50 HydrophobicContact CD2-CD2 3.99Å; K48-L50 PolarHBondContact O-N 3.42Å
51N47.4Very low71.1Confident166 Ų16689.6 Ų89.689%0.88847%0.466SS*.  trans-176.870159-90.4-24.1000111.7T49T49-N51 PolarHBondContact O-N 2.89Å
52A49.5Very low71.5Confident59 Ų5989.9 Ų89.949%0.48847%0.468SS..  trans-159.4116.5154.500000109.9F54A52-F54 HydrophobicContact CB-CD2 4.31Å; A52-F54 PolarHBondContact O-N 3.05Å
53L46.7Very low71.8Confident191 Ų19192.6 Ų92.6100%148%0.475SS*.  trans-74.239.8175.5-135.1106.1000111.8
54F52.6Low72.3Confident77 Ų7793.6 Ų93.634%0.33848%0.482SS..  trans-84.1130.1170.9-93.3-90.4000108.8A52 A56 K125A52-F54 HydrophobicContact CB-CD2 4.31Å; A52-F54 PolarHBondContact O-N 3.05Å; F54-A56 PolarHBondContact O-N 3.17Å; F54-K125 HydrophobicContact CE1-CB 4.42Å; F54-K125 HydrophobicContact CZ-CB 3.74Å
55L60.8Low73.2Confident128 Ų12891.9 Ų91.967%0.6748%0.476SS*.  trans-61.989.8165.3-90.2155.3000108.1I59L55-I59 HydrophobicContact CD2-CG2 4.07Å
56A72.3Confident74.1Confident7 Ų791.2 Ų91.26%0.05847%0.472CS..  trans-63.8146.2177.600000109.9F54 S58 I59 I60F54-A56 PolarHBondContact O-N 3.17Å; A56-S58 VanDerWaalsContact CB-OG 3.32Å; A56-S58 WeakPolarHBondContact CB-OG 3.5Å; A56-S58 PolarHBondContact O-N 2.73Å; A56-S58 VanDerWaalsContact O-N 3.1Å; A56-I59 HydrophobicContact CB-CD1 4.31Å; A56-I59 HydrophobicContact CB-CG1 4.28Å; A56-I59 WeakPolarHBondContact O-CB 3.27Å; A56-I59 PolarHBondContact O-N 3.3Å; A56-I60 PolarHBondContact O-N 2.88Å
57P79.7Confident75.1Confident68 Ų6885.7 Ų85.744%0.44246%0.457SS..Hα-helixtrans-51.9-33.7176.1-27.935.2000113.4I60 L61 I139P57-I60 PolarHBondContact O-N 3.03Å; P57-L61 WeakPolarHBondContact O-CG 3.22Å; P57-L61 PolarHBondContact O-N 3.38Å; P57-I139 HydrophobicContact CG-CD1 4.12Å
58S86.6Confident76.5Confident11 Ų1181 Ų818%0.07744%0.438CS..Hα-helixtrans-58.3-42.717344.80000113.4E41 A56 I60 L61 I62E41-S58 VanDerWaalsContact OE2-CB 3.27Å; E41-S58 WeakPolarHBondContact OE2-CB 3.17Å; E41-S58 PolarHBondContact OE2-OG 2.94Å; A56-S58 VanDerWaalsContact CB-OG 3.32Å; A56-S58 WeakPolarHBondContact CB-OG 3.5Å; A56-S58 PolarHBondContact O-N 2.73Å; A56-S58 VanDerWaalsContact O-N 3.1Å; S58-I60 VanDerWaalsContact C-N 3.34Å; S58-I60 PolarHBondContact O-N 3.19Å; S58-L61 WeakPolarHBondContact O-CB 3.46Å; S58-L61 PolarHBondContact O-N 2.82Å; S58-I62 WeakPolarHBondContact O-CG1 3.28Å; S58-I62 PolarHBondContact O-N 2.88Å
59I88.1Confident78.1Confident52 Ų5281.3 Ų81.327%0.26744%0.44SS..Hα-helixtrans-63.8-41.7177.8-61.1174.9000110.3L55 A56 L61 I62 L63L55-I59 HydrophobicContact CD2-CG2 4.07Å; A56-I59 HydrophobicContact CB-CD1 4.31Å; A56-I59 HydrophobicContact CB-CG1 4.28Å; A56-I59 WeakPolarHBondContact O-CB 3.27Å; A56-I59 PolarHBondContact O-N 3.3Å; I59-L61 VanDerWaalsContact C-N 3.35Å; I59-I62 PolarHBondContact O-N 3.29Å; I59-L63 HydrophobicContact CG2-CD1 4.22Å; I59-L63 HydrophobicContact CG2-CG 4.46Å; I59-L63 WeakPolarHBondContact O-CG 3.34Å; I59-L63 PolarHBondContact O-N 2.91Å
60I90Very high80.3Confident83 Ų8377.8 Ų77.843%0.42642%0.417SS..Hα-helixtrans-62.3-44.3176.5-60.6174000110.2A56 P57 S58 I62 L63 L64A56-I60 PolarHBondContact O-N 2.88Å; P57-I60 PolarHBondContact O-N 3.03Å; S58-I60 VanDerWaalsContact C-N 3.34Å; S58-I60 PolarHBondContact O-N 3.19Å; I60-I62 VanDerWaalsContact C-N 3.34Å; I60-I62 PolarHBondContact O-N 3.31Å; I60-L63 PolarHBondContact O-N 2.92Å; I60-L64 HydrophobicContact CG2-CD1 3.9Å; I60-L64 HydrophobicContact CG2-CG 4.31Å; I60-L64 WeakPolarHBondContact O-CB 3.41Å; I60-L64 WeakPolarHBondContact O-CG 3.36Å; I60-L64 PolarHBondContact O-N 3.33Å
61L92Very high82.5Confident68 Ų6872 Ų7236%0.35639%0.388SS..Hα-helixtrans-60.6-40.5175.8-70.5174.2000112.5I33 P57 S58 I59 G65I33-L61 HydrophobicContact CG2-CD2 4.37Å; P57-L61 WeakPolarHBondContact O-CG 3.22Å; P57-L61 PolarHBondContact O-N 3.38Å; S58-L61 WeakPolarHBondContact O-CB 3.46Å; S58-L61 PolarHBondContact O-N 2.82Å; I59-L61 VanDerWaalsContact C-N 3.35Å; L61-G65 PolarHBondContact O-N 2.98Å
62I94.9Very high84.9Confident34 Ų3464.5 Ų64.517%0.17435%0.349CS..Hα-helixtrans-63.4-49.7175.8-68.3167.8000110.6L34 I38 E41 S58 I59 I60 L64 G65 I66L34-I62 HydrophobicContact CD1-CG2 4.1Å; I38-I62 HydrophobicContact CG1-CG1 4.38Å; E41-I62 HydrophobicContact CB-CD1 3.83Å; E41-I62 HydrophobicContact CG-CD1 4.35Å; S58-I62 WeakPolarHBondContact O-CG1 3.28Å; S58-I62 PolarHBondContact O-N 2.88Å; I59-I62 PolarHBondContact O-N 3.29Å; I60-I62 VanDerWaalsContact C-N 3.34Å; I60-I62 PolarHBondContact O-N 3.31Å; I62-L64 PolarHBondContact O-N 3.43Å; I62-G65 PolarHBondContact O-N 3.34Å; I62-I66 HydrophobicContact CG2-CD1 3.77Å; I62-I66 HydrophobicContact CG2-CG1 4.35Å; I62-I66 WeakPolarHBondContact O-CG1 3.22Å; I62-I66 PolarHBondContact O-N 3.41Å
63L95.1Very high87.1Confident106 Ų10665.9 Ų65.956%0.55534%0.344SS*.Hα-helixtrans-61-45.5-179.1-70.1175.6000111.8I59 I60 L67I59-L63 HydrophobicContact CG2-CD1 4.22Å; I59-L63 HydrophobicContact CG2-CG 4.46Å; I59-L63 WeakPolarHBondContact O-CG 3.34Å; I59-L63 PolarHBondContact O-N 2.91Å; I60-L63 PolarHBondContact O-N 2.92Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 PolarHBondContact O-N 3.19Å
64L94.8Very high89.6Confident91 Ų9158.7 Ų58.748%0.47631%0.306SS..Hα-helixtrans-63.9-43.7175.1-69.4176.7000111.5I60 I62 L67 M68I60-L64 HydrophobicContact CG2-CD1 3.9Å; I60-L64 HydrophobicContact CG2-CG 4.31Å; I60-L64 WeakPolarHBondContact O-CB 3.41Å; I60-L64 WeakPolarHBondContact O-CG 3.36Å; I60-L64 PolarHBondContact O-N 3.33Å; I62-L64 PolarHBondContact O-N 3.43Å; L64-L67 PolarHBondContact O-N 3.02Å; L64-M68 WeakPolarHBondContact O-CG 3.4Å; L64-M68 PolarHBondContact O-N 3.44Å
65G97.3Very high91.7Very high0 Ų055 Ų550%029%0.29CS..Hα-helixtrans-60.2-45.717800000112.8L61 I62 M68 F69L61-G65 PolarHBondContact O-N 2.98Å; I62-G65 PolarHBondContact O-N 3.34Å; G65-M68 PolarHBondContact O-N 2.98Å; G65-F69 WeakPolarHBondContact O-CB 3.3Å; G65-F69 PolarHBondContact O-N 3.4Å
66I97.6Very high93.4Very high79 Ų7949.7 Ų49.741%0.40526%0.262SS..Hα-helixtrans-61.6-48.3175.6-68.4171.7000110.4L34 I62 M68 F69 V70L34-I66 HydrophobicContact CD1-CD1 4.4Å; L34-I66 HydrophobicContact CD1-CG1 3.62Å; L34-I66 HydrophobicContact CD2-CG1 4.15Å; I62-I66 HydrophobicContact CG2-CD1 3.77Å; I62-I66 HydrophobicContact CG2-CG1 4.35Å; I62-I66 WeakPolarHBondContact O-CG1 3.22Å; I62-I66 PolarHBondContact O-N 3.41Å; I66-M68 PolarHBondContact O-N 2.86Å; I66-F69 PolarHBondContact O-N 3.31Å; I66-V70 HydrophobicContact CG2-CG2 4.27Å; I66-V70 WeakPolarHBondContact O-CG2 3.48Å; I66-V70 PolarHBondContact O-N 3.39Å
67L96.4Very high94.6Very high87 Ų8751.5 Ų51.546%0.45527%0.271SS..Hα-helixtrans-57.7-50.8179.7-179.367.7000110.7L63 L64 F69 V70 V71L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 PolarHBondContact O-N 3.19Å; L64-L67 PolarHBondContact O-N 3.02Å; L67-F69 PolarHBondContact O-N 3.47Å; L67-V70 PolarHBondContact O-N 2.87Å; L67-V71 HydrophobicContact CD1-CG2 4.14Å; L67-V71 WeakPolarHBondContact O-CB 3.3Å; L67-V71 VanDerWaalsContact O-CG2 3.23Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 3.44Å
68M96.9Very high95.4Very high58 Ų5848.3 Ų48.329%0.28625%0.25SC..Hα-helixtrans-63.9-40.4179.2-66.2-159.5-27.100112.4I29 I33 L64 G65 I66 S72I29-M68 HydrophobicContact CG2-CE 3.95Å; I33-M68 HydrophobicContact CD1-CE 3.66Å; L64-M68 WeakPolarHBondContact O-CG 3.4Å; L64-M68 PolarHBondContact O-N 3.44Å; G65-M68 PolarHBondContact O-N 2.98Å; I66-M68 PolarHBondContact O-N 2.86Å; M68-S72 WeakPolarHBondContact O-CB 3.26Å; M68-S72 PolarHBondContact O-N 3.11Å; M68-S72 PolarHBondContact O-OG 2.93Å
69F98.1Very high95.8Very high63 Ų6347.8 Ų47.828%0.27625%0.247SC..Hα-helixtrans-59.8-52.4177.3177-90.2000111.3W27 T31 G65 I66 L67 F73W27-F69 AromaticContact CD1-CD2 3.76Å; W27-F69 AromaticContact CD1-CE2 3.86Å; W27-F69 AromaticContact CE2-CE2 3.66Å; W27-F69 AromaticContact CZ2-CE2 3.96Å; W27-F69 HydrophobicContact CZ2-CE2 3.96Å; W27-F69 HydrophobicContact CZ2-CZ 4.37Å; W27-F69 AromaticContact NE1-CD2 3.4Å; W27-F69 AromaticContact NE1-CE2 3.01Å; W27-F69 AromaticContact NE1-CZ 3.47Å; T31-F69 VanDerWaalsContact OG1-CD2 3.32Å; T31-F69 WeakPolarHBondContact OG1-CD2 3.36Å; T31-F69 WeakPolarHBondContact OG1-CE2 3.37Å; G65-F69 WeakPolarHBondContact O-CB 3.3Å; G65-F69 PolarHBondContact O-N 3.4Å; I66-F69 PolarHBondContact O-N 3.31Å; L67-F69 PolarHBondContact O-N 3.47Å; F69-F73 WeakPolarHBondContact O-CB 3.36Å; F69-F73 PolarHBondContact O-N 3.46Å
70V97.8Very high96.1Very high68 Ų6849.9 Ų49.941%0.41226%0.258SS..Hα-helixtrans-64.6-48.3-177172.80000110.9I66 L67 S72 F73 I74I66-V70 HydrophobicContact CG2-CG2 4.27Å; I66-V70 WeakPolarHBondContact O-CG2 3.48Å; I66-V70 PolarHBondContact O-N 3.39Å; L67-V70 PolarHBondContact O-N 2.87Å; V70-S72 PolarHBondContact O-N 2.9Å; V70-F73 PolarHBondContact O-N 2.51Å; V70-I74 HydrophobicContact CG1-CD1 3.98Å; V70-I74 VanDerWaalsContact O-CG1 3.31Å; V70-I74 WeakPolarHBondContact O-CG1 3.31Å; V70-I74 PolarHBondContact O-N 2.82Å
71V97.4Very high96.2Very high17 Ų1754.4 Ų54.410%0.10327%0.269CS..Hα-helixtrans-62.6-45.3-178.9174.30000110.8L67 F73 I74 G75 F90 T93 L94L67-V71 HydrophobicContact CD1-CG2 4.14Å; L67-V71 WeakPolarHBondContact O-CB 3.3Å; L67-V71 VanDerWaalsContact O-CG2 3.23Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 3.44Å; V71-F73 PolarHBondContact O-N 3.47Å; V71-I74 PolarHBondContact O-N 2.84Å; V71-G75 PolarHBondContact O-N 2.81Å; V71-F90 HydrophobicContact CG1-CD2 3.8Å; V71-F90 HydrophobicContact CG1-CE2 3.91Å; V71-F90 WeakPolarHBondContact O-CD2 3.37Å; V71-F90 WeakPolarHBondContact O-CE2 3.27Å; V71-T93 HydrophobicContact CG1-CG2 4.12Å; V71-T93 HydrophobicContact CG2-CG2 3.56Å; V71-L94 HydrophobicContact CG1-CD2 4.32Å
72S97.4Very high96.3Very high8 Ų853.7 Ų53.76%0.05627%0.266CS..Hα-helixtrans-67.5-37.4178.8-53.20000112F26 M68 V70 I74 G75 V76F26-S72 WeakPolarHBondContact CB-OG 3.38Å; M68-S72 WeakPolarHBondContact O-CB 3.26Å; M68-S72 PolarHBondContact O-N 3.11Å; M68-S72 PolarHBondContact O-OG 2.93Å; V70-S72 PolarHBondContact O-N 2.9Å; S72-I74 VanDerWaalsContact C-N 3.35Å; S72-I74 PolarHBondContact O-N 3.12Å; S72-G75 WeakPolarHBondContact O-CA 3.42Å; S72-G75 PolarHBondContact O-N 3.16Å; S72-G75 VanDerWaalsContact O-N 3.11Å; S72-V76 WeakPolarHBondContact O-CG2 3.41Å; S72-V76 PolarHBondContact O-N 2.86Å
73F97.4Very high96.3Very high88 Ų8855.1 Ų55.139%0.38627%0.274SS..Hα-helixtrans-62.9-40.7175.2-175.4-112.9000112W27 F69 V70 V71 G75 V76 L77W27-F73 AromaticContact NE1-CD2 3.86Å; F69-F73 WeakPolarHBondContact O-CB 3.36Å; F69-F73 PolarHBondContact O-N 3.46Å; V70-F73 PolarHBondContact O-N 2.51Å; V71-F73 PolarHBondContact O-N 3.47Å; F73-G75 VanDerWaalsContact C-N 3.31Å; F73-G75 PolarHBondContact O-N 3.47Å; F73-V76 PolarHBondContact O-N 2.69Å; F73-L77 HydrophobicContact CD1-CD1 3.92Å; F73-L77 HydrophobicContact CD1-CG 4.41Å; F73-L77 HydrophobicContact CE1-CD1 3.4Å; F73-L77 VanDerWaalsContact CE1-CD1 3.4Å; F73-L77 HydrophobicContact CE1-CG 4.08Å; F73-L77 HydrophobicContact CE2-CD1 4.47Å; F73-L77 HydrophobicContact CE2-CD2 4.44Å; F73-L77 HydrophobicContact CE2-CG 4.32Å; F73-L77 HydrophobicContact CZ-CD1 3.72Å; F73-L77 HydrophobicContact CZ-CD2 4.2Å; F73-L77 HydrophobicContact CZ-CG 4.03Å; F73-L77 WeakPolarHBondContact O-CG 3.26Å; F73-L77 PolarHBondContact O-N 3.37Å
74I97.8Very high96.2Very high39 Ų3951.5 Ų51.520%0.226%0.255CS..Hα-helixtrans-60.3-42171.6-67.4165000110.6V70 V71 S72 L77 G78 L86 V89 F90V70-I74 HydrophobicContact CG1-CD1 3.98Å; V70-I74 VanDerWaalsContact O-CG1 3.31Å; V70-I74 WeakPolarHBondContact O-CG1 3.31Å; V70-I74 PolarHBondContact O-N 2.82Å; V71-I74 PolarHBondContact O-N 2.84Å; S72-I74 VanDerWaalsContact C-N 3.35Å; S72-I74 PolarHBondContact O-N 3.12Å; I74-L77 PolarHBondContact O-N 3.44Å; I74-G78 PolarHBondContact O-N 3.41Å; I74-L86 HydrophobicContact CG2-CB 4.36Å; I74-L86 HydrophobicContact CG2-CD2 4.27Å; I74-V89 HydrophobicContact CD1-CG1 4.35Å; I74-V89 HydrophobicContact CG2-CB 4.5Å; I74-V89 HydrophobicContact CG2-CG1 4.32Å; I74-F90 HydrophobicContact CG2-CB 4.3Å
75G97.1Very high96.3Very high0 Ų051.7 Ų51.70%026%0.26CS..Hα-helixtrans-60.8-44174.900000113.2V71 S72 F73 G78 S79V71-G75 PolarHBondContact O-N 2.81Å; S72-G75 WeakPolarHBondContact O-CA 3.42Å; S72-G75 PolarHBondContact O-N 3.16Å; S72-G75 VanDerWaalsContact O-N 3.11Å; F73-G75 VanDerWaalsContact C-N 3.31Å; F73-G75 PolarHBondContact O-N 3.47Å; G75-G78 PolarHBondContact O-N 3.4Å; G75-S79 WeakPolarHBondContact O-CB 3.09Å; G75-S79 PolarHBondContact O-N 3.35Å; G75-S79 PolarHBondContact O-OG 3.32Å; G75-S79 VanDerWaalsContact O-OG 3.11Å
76V97.5Very high96.3Very high16 Ų1653.9 Ų53.910%0.09727%0.271CS..Hα-helixtrans-61.2-50.7175173.70000110.5F20 A23 S72 F73 G78 S79 L80F20-V76 HydrophobicContact CD2-CG1 4.34Å; F20-V76 HydrophobicContact CE2-CG1 3.88Å; A23-V76 HydrophobicContact CB-CG2 3.67Å; S72-V76 WeakPolarHBondContact O-CG2 3.41Å; S72-V76 PolarHBondContact O-N 2.86Å; F73-V76 PolarHBondContact O-N 2.69Å; V76-G78 PolarHBondContact O-N 3.03Å; V76-S79 PolarHBondContact O-N 2.89Å; V76-S79 PolarHBondContact O-OG 3.21Å; V76-L80 HydrophobicContact CG1-CD1 3.97Å; V76-L80 WeakPolarHBondContact O-CB 3.43Å; V76-L80 WeakPolarHBondContact O-CG 3.36Å; V76-L80 PolarHBondContact O-N 3.46Å
77L97.3Very high96.2Very high46 Ų4650.1 Ų50.124%0.24125%0.252CS..Hα-helixtrans-64.3-38.6178.7-68.9-176.6000112.8F73 I74 R81 L86F73-L77 HydrophobicContact CD1-CD1 3.92Å; F73-L77 HydrophobicContact CD1-CG 4.41Å; F73-L77 HydrophobicContact CE1-CD1 3.4Å; F73-L77 VanDerWaalsContact CE1-CD1 3.4Å; F73-L77 HydrophobicContact CE1-CG 4.08Å; F73-L77 HydrophobicContact CE2-CD1 4.47Å; F73-L77 HydrophobicContact CE2-CD2 4.44Å; F73-L77 HydrophobicContact CE2-CG 4.32Å; F73-L77 HydrophobicContact CZ-CD1 3.72Å; F73-L77 HydrophobicContact CZ-CD2 4.2Å; F73-L77 HydrophobicContact CZ-CG 4.03Å; F73-L77 WeakPolarHBondContact O-CG 3.26Å; F73-L77 PolarHBondContact O-N 3.37Å; I74-L77 PolarHBondContact O-N 3.44Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.5Å; L77-L86 HydrophobicContact CB-CD1 4.16Å
78G95.6Very high96.2Very high0 Ų047.6 Ų47.60%024%0.239CC..Hα-helixtrans-64.1-42.517800000112.3I74 G75 V76 D82 N83I74-G78 PolarHBondContact O-N 3.41Å; G75-G78 PolarHBondContact O-N 3.4Å; V76-G78 PolarHBondContact O-N 3.03Å; G78-D82 WeakPolarHBondContact O-CA 3.35Å; G78-D82 PolarHBondContact O-N 2.87Å; G78-D82 VanDerWaalsContact O-N 3.12Å; G78-N83 PolarHBondContact O-N 3.43Å
79S94.7Very high96.2Very high1 Ų148 Ų481%0.00725%0.245CC..Hα-helixtrans-71.4-38.1176.465.30000113.2K16 G75 V76K16-S79 WeakPolarHBondContact CE-O 3.35Å; K16-S79 PolarHBondContact NZ-O 2.93Å; G75-S79 WeakPolarHBondContact O-CB 3.09Å; G75-S79 PolarHBondContact O-N 3.35Å; G75-S79 PolarHBondContact O-OG 3.32Å; G75-S79 VanDerWaalsContact O-OG 3.11Å; V76-S79 PolarHBondContact O-N 2.89Å; V76-S79 PolarHBondContact O-OG 3.21Å
80L94.1Very high96.2Very high95 Ų9545.2 Ų45.250%0.49723%0.233SC..Hα-helixtrans-68.6-44.3177.8-75.9175.6000112.5F20 V76F20-L80 HydrophobicContact CD2-CD2 3.92Å; F20-L80 HydrophobicContact CD2-CG 3.98Å; F20-L80 HydrophobicContact CE2-CD1 4Å; F20-L80 HydrophobicContact CE2-CD2 3.62Å; F20-L80 HydrophobicContact CE2-CG 3.74Å; F20-L80 HydrophobicContact CZ-CD2 4.39Å; V76-L80 HydrophobicContact CG1-CD1 3.97Å; V76-L80 WeakPolarHBondContact O-CB 3.43Å; V76-L80 WeakPolarHBondContact O-CG 3.36Å; V76-L80 PolarHBondContact O-N 3.46Å
81R93.7Very high96.2Very high178 Ų17842.7 Ų42.767%0.67222%0.217SC*.THydrogen-bonded Turntrans-88.8-1.8-175.5-66.1-171.9174.8174.7-0.4114.1L77 N83L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.5Å; R81-N83 HydrophobicContact CB-CB 4.19Å; R81-N83 PolarHBondContact O-N 3.47Å
82D93.3Very high96.2Very high54 Ų5448.4 Ų48.429%0.28924%0.237SC..THydrogen-bonded Turntrans50.733.2-174.3-56.7-42000112.6Y12 K16 G78 L84 Y251 V255Y12-D82 PolarHBondContact OH-OD1 3.15Å; Y12-D82 PolarHBondContact OH-OD2 3.35Å; Y12-D82 VanDerWaalsContact OH-OD2 3.07Å; K16-D82 IonicContact NZ-OD1 2.84Å; K16-D82 PolarHBondContact NZ-OD1 3.42Å; K16-D82 IonicContact NZ-OD2 2.82Å; K16-D82 PolarHBondContact NZ-OD2 3.41Å; G78-D82 WeakPolarHBondContact O-CA 3.35Å; G78-D82 PolarHBondContact O-N 2.87Å; G78-D82 VanDerWaalsContact O-N 3.12Å; D82-L84 PolarHBondContact O-N 2.91Å; D82-Y251 PolarHBondContact OD1-OH 2.77Å; D82-V255 HydrophobicContact CB-CG1 4.49Å
83N94.4Very high96.2Very high63 Ų6350.1 Ų50.134%0.33725%0.247SC..  trans-90.1106.6-172.5-174.8-27.1000110.2G78 R81 T85 L86 L87G78-N83 PolarHBondContact O-N 3.43Å; R81-N83 HydrophobicContact CB-CB 4.19Å; R81-N83 PolarHBondContact O-N 3.47Å; N83-T85 PolarHBondContact O-N 2.81Å; N83-T85 WeakPolarHBondContact OD1-CB 3.3Å; N83-T85 PolarHBondContact OD1-N 2.69Å; N83-L86 HydrophobicContact CB-CB 4.29Å; N83-L86 HydrophobicContact CB-CD1 4.06Å; N83-L86 HydrophobicContact CB-CG 4.22Å; N83-L86 PolarHBondContact O-N 3.43Å; N83-L86 VanDerWaalsContact O-N 3.11Å; N83-L87 WeakPolarHBondContact O-CG 3.42Å; N83-L87 PolarHBondContact O-N 3.4Å
84L94.3Very high96.2Very high31 Ų3146.7 Ų46.716%0.16223%0.233CC..Hα-helixtrans-53.9-35.6179.9-69.8174.4000113.6D82 L87 N88 R252 V255 K259D82-L84 PolarHBondContact O-N 2.91Å; L84-L87 PolarHBondContact O-N 3.26Å; L84-N88 WeakPolarHBondContact O-CB 3.37Å; L84-N88 PolarHBondContact O-N 2.96Å; L84-N88 PolarHBondContact O-ND2 3.3Å; L84-N88 VanDerWaalsContact O-ND2 3.17Å; L84-R252 HydrophobicContact CD2-CG 4.05Å; L84-V255 HydrophobicContact CD2-CB 3.91Å; L84-V255 HydrophobicContact CD2-CG1 3.66Å; L84-V255 HydrophobicContact CG-CG1 3.99Å; L84-K259 HydrophobicContact CD1-CD 4.04Å
85T96.1Very high96.2Very high95 Ų9548 Ų4858%0.58324%0.24SC*.Hα-helixtrans-67.5-44.4179.2-53.30000111.3N83 N88 V89N83-T85 PolarHBondContact O-N 2.81Å; N83-T85 WeakPolarHBondContact OD1-CB 3.3Å; N83-T85 PolarHBondContact OD1-N 2.69Å; T85-N88 PolarHBondContact O-N 3.14Å; T85-V89 WeakPolarHBondContact O-CG2 3.2Å; T85-V89 PolarHBondContact O-N 2.96Å
86L96.8Very high96.2Very high45 Ų4550.2 Ų50.224%0.23626%0.259CS..Hα-helixtrans-66.3-39.7176.9-67.3176.8000111.6I74 L77 N83 N88 V89 F90I74-L86 HydrophobicContact CG2-CB 4.36Å; I74-L86 HydrophobicContact CG2-CD2 4.27Å; L77-L86 HydrophobicContact CB-CD1 4.16Å; N83-L86 HydrophobicContact CB-CB 4.29Å; N83-L86 HydrophobicContact CB-CD1 4.06Å; N83-L86 HydrophobicContact CB-CG 4.22Å; N83-L86 PolarHBondContact O-N 3.43Å; N83-L86 VanDerWaalsContact O-N 3.11Å; L86-N88 VanDerWaalsContact C-N 3.35Å; L86-V89 PolarHBondContact O-N 3.25Å; L86-F90 WeakPolarHBondContact O-CB 3.34Å; L86-F90 PolarHBondContact O-N 2.9Å
87L96.4Very high96.1Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-63.2-39.5174.9-69169.9000112.1L19 N83 L84 F90 M91 T248 Y251L19-L87 HydrophobicContact CD2-CD2 3.71Å; N83-L87 WeakPolarHBondContact O-CG 3.42Å; N83-L87 PolarHBondContact O-N 3.4Å; L84-L87 PolarHBondContact O-N 3.26Å; L87-F90 PolarHBondContact O-N 2.99Å; L87-M91 VanDerWaalsContact O-CB 3.32Å; L87-M91 WeakPolarHBondContact O-CB 3.35Å; L87-M91 PolarHBondContact O-N 3.44Å; L87-T248 HydrophobicContact CD2-CG2 4.38Å; L87-Y251 HydrophobicContact CD1-CD1 3.74Å; L87-Y251 HydrophobicContact CD1-CE1 3.84Å; L87-Y251 HydrophobicContact CD2-CD1 4.01Å; L87-Y251 HydrophobicContact CD2-CE1 4.35Å
88N96.4Very high96Very high34 Ų3449.9 Ų49.918%0.18226%0.258CS..Hα-helixtrans-63.1-47174.6-74-26.1000111.5L84 T85 L86 F90 M91 Y92 R252L84-N88 WeakPolarHBondContact O-CB 3.37Å; L84-N88 PolarHBondContact O-N 2.96Å; L84-N88 PolarHBondContact O-ND2 3.3Å; L84-N88 VanDerWaalsContact O-ND2 3.17Å; T85-N88 PolarHBondContact O-N 3.14Å; L86-N88 VanDerWaalsContact C-N 3.35Å; N88-F90 VanDerWaalsContact C-N 3.34Å; N88-F90 PolarHBondContact O-N 3.4Å; N88-M91 PolarHBondContact O-N 2.9Å; N88-Y92 HydrophobicContact CB-CD2 4.21Å; N88-Y92 HydrophobicContact CB-CE2 4.05Å; N88-Y92 WeakPolarHBondContact O-CB 3.33Å; N88-Y92 WeakPolarHBondContact O-CD2 3.47Å; N88-Y92 PolarHBondContact O-N 3.43Å; N88-R252 WeakPolarHBondContact OD1-CD 3.41Å; N88-R252 PolarHBondContact OD1-NE 3.08Å
89V97.7Very high96.1Very high67 Ų6753.7 Ų53.741%0.40628%0.278SS..Hα-helixtrans-58.4-49.5177172.10000109.9I74 T85 L86 M91 Y92 T93I74-V89 HydrophobicContact CD1-CG1 4.35Å; I74-V89 HydrophobicContact CG2-CB 4.5Å; I74-V89 HydrophobicContact CG2-CG1 4.32Å; T85-V89 WeakPolarHBondContact O-CG2 3.2Å; T85-V89 PolarHBondContact O-N 2.96Å; L86-V89 PolarHBondContact O-N 3.25Å; V89-M91 PolarHBondContact O-N 3.3Å; V89-Y92 PolarHBondContact O-N 3.26Å; V89-T93 WeakPolarHBondContact O-CB 3.35Å; V89-T93 PolarHBondContact O-N 2.98Å; V89-T93 PolarHBondContact O-OG1 3.38Å
90F97.4Very high96.2Very high4 Ų459.4 Ų59.42%0.01831%0.307CS..Hα-helixtrans-56.2-49.8177.2-178.6-119.4000112.6L19 Y22 V71 I74 L86 L87 N88 T93 L94 T248L19-F90 HydrophobicContact CD1-CE1 3.93Å; Y22-F90 HydrophobicContact CD1-CZ 4.27Å; Y22-F90 HydrophobicContact CE1-CE1 4.43Å; Y22-F90 AromaticContact CE1-CZ 3.89Å; Y22-F90 HydrophobicContact CE1-CZ 3.89Å; V71-F90 HydrophobicContact CG1-CD2 3.8Å; V71-F90 HydrophobicContact CG1-CE2 3.91Å; V71-F90 WeakPolarHBondContact O-CD2 3.37Å; V71-F90 WeakPolarHBondContact O-CE2 3.27Å; I74-F90 HydrophobicContact CG2-CB 4.3Å; L86-F90 WeakPolarHBondContact O-CB 3.34Å; L86-F90 PolarHBondContact O-N 2.9Å; L87-F90 PolarHBondContact O-N 2.99Å; N88-F90 VanDerWaalsContact C-N 3.34Å; N88-F90 PolarHBondContact O-N 3.4Å; F90-T93 PolarHBondContact O-N 3.41Å; F90-L94 HydrophobicContact CD1-CD1 4.26Å; F90-L94 HydrophobicContact CD2-CD1 4.47Å; F90-L94 HydrophobicContact CD2-CG 4.5Å; F90-L94 HydrophobicContact CE1-CD1 3.75Å; F90-L94 HydrophobicContact CE2-CD1 4Å; F90-L94 HydrophobicContact CE2-CG 4.25Å; F90-L94 HydrophobicContact CZ-CD1 3.64Å; F90-L94 HydrophobicContact CZ-CG 4.38Å; F90-L94 WeakPolarHBondContact O-CG 3.47Å; F90-L94 PolarHBondContact O-N 2.87Å; F90-T248 HydrophobicContact CD1-CG2 3.85Å; F90-T248 WeakPolarHBondContact CD1-OG1 3.46Å; F90-T248 VanDerWaalsContact CE1-OG1 3.31Å; F90-T248 WeakPolarHBondContact CE1-OG1 3.32Å
91M97.3Very high96.2Very high16 Ų1658.1 Ų58.18%0.07930%0.299CS..Hα-helixtrans-61.7-48.7179.9-173.7-17668.300112.4L87 N88 V89 T93 L94 L95 V245 T248 W249L87-M91 VanDerWaalsContact O-CB 3.32Å; L87-M91 WeakPolarHBondContact O-CB 3.35Å; L87-M91 PolarHBondContact O-N 3.44Å; N88-M91 PolarHBondContact O-N 2.9Å; V89-M91 PolarHBondContact O-N 3.3Å; M91-T93 VanDerWaalsContact C-N 3.34Å; M91-L94 PolarHBondContact O-N 2.89Å; M91-L95 WeakPolarHBondContact O-CB 3.46Å; M91-L95 PolarHBondContact O-N 2.96Å; M91-V245 HydrophobicContact CG-CG1 4.45Å; M91-T248 HydrophobicContact CB-CG2 3.79Å; M91-T248 HydrophobicContact CG-CG2 4.39Å; M91-W249 HydrophobicContact SD-CB 4.08Å
92Y97.7Very high96.2Very high137 Ų13753.8 Ų53.854%0.53729%0.289SS..Hα-helixtrans-68.6-34.3-178.6-69.9-50.8000112N88 V89 L95 A96N88-Y92 HydrophobicContact CB-CD2 4.21Å; N88-Y92 HydrophobicContact CB-CE2 4.05Å; N88-Y92 WeakPolarHBondContact O-CB 3.33Å; N88-Y92 WeakPolarHBondContact O-CD2 3.47Å; N88-Y92 PolarHBondContact O-N 3.43Å; V89-Y92 PolarHBondContact O-N 3.26Å; Y92-L95 PolarHBondContact O-N 2.99Å; Y92-A96 VanDerWaalsContact O-CB 3.27Å; Y92-A96 WeakPolarHBondContact O-CB 3.48Å; Y92-A96 PolarHBondContact O-N 2.78Å
93T97.4Very high96.3Very high43 Ų4355.5 Ų55.526%0.26430%0.297SS..Hα-helixtrans-65.5-45.4173.1-57.80000111.4V71 V89 F90 M91 L95 A96 C97V71-T93 HydrophobicContact CG1-CG2 4.12Å; V71-T93 HydrophobicContact CG2-CG2 3.56Å; V89-T93 WeakPolarHBondContact O-CB 3.35Å; V89-T93 PolarHBondContact O-N 2.98Å; V89-T93 PolarHBondContact O-OG1 3.38Å; F90-T93 PolarHBondContact O-N 3.41Å; M91-T93 VanDerWaalsContact C-N 3.34Å; T93-L95 VanDerWaalsContact C-N 3.34Å; T93-L95 PolarHBondContact O-N 3.27Å; T93-A96 PolarHBondContact O-N 2.92Å; T93-C97 PolarHBondContact O-N 3.42Å; T93-C97 PolarHBondContact O-SG 3.07Å; T93-C97 VanDerWaalsContact O-SG 3.32Å
94L96.9Very high96.3Very high16 Ų1654.5 Ų54.58%0.08430%0.302CS..Hα-helixtrans-61.4-42.1175-71.1-178.5000112.3Y22 V71 F90 M91 C97 L98 V245Y22-L94 HydrophobicContact CE1-CD1 4.47Å; V71-L94 HydrophobicContact CG1-CD2 4.32Å; F90-L94 HydrophobicContact CD1-CD1 4.26Å; F90-L94 HydrophobicContact CD2-CD1 4.47Å; F90-L94 HydrophobicContact CD2-CG 4.5Å; F90-L94 HydrophobicContact CE1-CD1 3.75Å; F90-L94 HydrophobicContact CE2-CD1 4Å; F90-L94 HydrophobicContact CE2-CG 4.25Å; F90-L94 HydrophobicContact CZ-CD1 3.64Å; F90-L94 HydrophobicContact CZ-CG 4.38Å; F90-L94 WeakPolarHBondContact O-CG 3.47Å; F90-L94 PolarHBondContact O-N 2.87Å; M91-L94 PolarHBondContact O-N 2.89Å; L94-C97 PolarHBondContact O-N 2.96Å; L94-L98 WeakPolarHBondContact O-CB 3.07Å; L94-L98 PolarHBondContact O-N 3.17Å; L94-V245 HydrophobicContact CB-CG2 3.66Å
95L97.3Very high96.1Very high67 Ų6755 Ų5535%0.35131%0.314SS..Hα-helixtrans-63.3-42.6176.4-179.162.9000111.7M91 Y92 T93 L98 I99M91-L95 WeakPolarHBondContact O-CB 3.46Å; M91-L95 PolarHBondContact O-N 2.96Å; Y92-L95 PolarHBondContact O-N 2.99Å; T93-L95 VanDerWaalsContact C-N 3.34Å; T93-L95 PolarHBondContact O-N 3.27Å; L95-L98 PolarHBondContact O-N 3.34Å; L95-I99 HydrophobicContact CD1-CD1 4.23Å; L95-I99 HydrophobicContact CD1-CG1 4.5Å; L95-I99 HydrophobicContact CG-CD1 4.03Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 2.9Å
96A97.3Very high96Very high47 Ų4755.5 Ų55.539%0.38831%0.312SS..Hα-helixtrans-63.2-42.7176.400000111.5Y92 T93 I99 L100Y92-A96 VanDerWaalsContact O-CB 3.27Å; Y92-A96 WeakPolarHBondContact O-CB 3.48Å; Y92-A96 PolarHBondContact O-N 2.78Å; T93-A96 PolarHBondContact O-N 2.92Å; A96-I99 PolarHBondContact O-N 3.47Å; A96-L100 WeakPolarHBondContact O-CB 3.04Å; A96-L100 VanDerWaalsContact O-CG 3.28Å; A96-L100 WeakPolarHBondContact O-CG 3.18Å; A96-L100 PolarHBondContact O-N 3.2Å
97C96.2Very high95.8Very high30 Ų3057.9 Ų57.920%0.20333%0.325CS..Hα-helixtrans-58.9-47.6173.4-70.80000111.6T93 L94 I99 L100 E101T93-C97 PolarHBondContact O-N 3.42Å; T93-C97 PolarHBondContact O-SG 3.07Å; T93-C97 VanDerWaalsContact O-SG 3.32Å; L94-C97 PolarHBondContact O-N 2.96Å; C97-I99 VanDerWaalsContact C-N 3.33Å; C97-I99 PolarHBondContact O-N 3.38Å; C97-L100 PolarHBondContact O-N 3.3Å; C97-L100 VanDerWaalsContact O-N 3.17Å; C97-E101 WeakPolarHBondContact O-CG 3.41Å; C97-E101 PolarHBondContact O-N 3.33Å
98L96Very high95.5Very high24 Ų2459.2 Ų59.213%0.12634%0.339CS..Hα-helixtrans-59.2-43.7178.3-174.170.9000111.8L94 L95 E101 L102 L238 Q241L94-L98 WeakPolarHBondContact O-CB 3.07Å; L94-L98 PolarHBondContact O-N 3.17Å; L95-L98 PolarHBondContact O-N 3.34Å; L98-E101 PolarHBondContact O-N 3.48Å; L98-L102 HydrophobicContact CG-CD1 4.37Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.24Å; L98-L102 PolarHBondContact O-N 3.18Å; L98-L238 HydrophobicContact CD1-CD2 3.78Å; L98-Q241 HydrophobicContact CD1-CB 4.22Å
99I96.9Very high95.1Very high81 Ų8164.4 Ų64.442%0.41537%0.366SS..Hα-helixtrans-64.8-44.3176.8-68.3166.9000110.6L95 A96 C97 E101 L102 L103L95-I99 HydrophobicContact CD1-CD1 4.23Å; L95-I99 HydrophobicContact CD1-CG1 4.5Å; L95-I99 HydrophobicContact CG-CD1 4.03Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 2.9Å; A96-I99 PolarHBondContact O-N 3.47Å; C97-I99 VanDerWaalsContact C-N 3.33Å; C97-I99 PolarHBondContact O-N 3.38Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.48Å; I99-L102 PolarHBondContact O-N 3.11Å; I99-L103 HydrophobicContact CG2-CD1 3.7Å; I99-L103 HydrophobicContact CG2-CG 4.13Å; I99-L103 WeakPolarHBondContact O-CB 3.42Å; I99-L103 VanDerWaalsContact O-CG 3.25Å; I99-L103 WeakPolarHBondContact O-CG 3.45Å; I99-L103 PolarHBondContact O-N 3.33Å
100L96Very high94.9Very high120 Ų12064.5 Ų64.563%0.62837%0.374SS*.Hα-helixtrans-63.1-38.6178.3-75.4172.4000112.2A96 C97 G104A96-L100 WeakPolarHBondContact O-CB 3.04Å; A96-L100 VanDerWaalsContact O-CG 3.28Å; A96-L100 WeakPolarHBondContact O-CG 3.18Å; A96-L100 PolarHBondContact O-N 3.2Å; C97-L100 PolarHBondContact O-N 3.3Å; C97-L100 VanDerWaalsContact O-N 3.17Å; L100-G104 WeakPolarHBondContact O-CA 3.39Å; L100-G104 PolarHBondContact O-N 3.31Å
101E94.4Very high94.7Very high69 Ų6969.5 Ų69.532%0.32240%0.395SS..Hα-helixtrans-66.6-44.9176.1-75177.2-172.300111.9C97 L98 I99 G104 G105 I237 L238 Q241C97-E101 WeakPolarHBondContact O-CG 3.41Å; C97-E101 PolarHBondContact O-N 3.33Å; L98-E101 PolarHBondContact O-N 3.48Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.48Å; E101-G104 PolarHBondContact O-N 3Å; E101-G105 PolarHBondContact O-N 3.43Å; E101-I237 WeakPolarHBondContact OE2-CG2 3.37Å; E101-L238 HydrophobicContact CB-CD2 4.24Å; E101-L238 WeakPolarHBondContact OE2-CD2 3.38Å; E101-Q241 VanDerWaalsContact CD-NE2 3.29Å; E101-Q241 PolarHBondContact OE1-NE2 3.48Å; E101-Q241 PolarHBondContact OE2-NE2 3.02Å; E101-Q241 PolarHBondContact OE2-OE1 2.97Å; E101-Q241 VanDerWaalsContact OE2-OE1 3.13Å
102L94.4Very high94.3Very high86 Ų8673.2 Ų73.245%0.4541%0.409SS..Hα-helixtrans-64.7-46.6176.7-69.8173.6000111.5L98 I99 G105 I106 L238L98-L102 HydrophobicContact CG-CD1 4.37Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.24Å; L98-L102 PolarHBondContact O-N 3.18Å; I99-L102 PolarHBondContact O-N 3.11Å; L102-G105 PolarHBondContact O-N 3.32Å; L102-I106 WeakPolarHBondContact O-CB 3.31Å; L102-I106 WeakPolarHBondContact O-CD1 3.45Å; L102-I106 VanDerWaalsContact O-CG1 3.22Å; L102-I106 WeakPolarHBondContact O-CG1 3.46Å; L102-I106 PolarHBondContact O-N 2.9Å; L102-L238 HydrophobicContact CD2-CD1 4.08Å; L102-L238 HydrophobicContact CD2-CD2 4.37Å
103L96.1Very high94Very high90 Ų9072.3 Ų72.347%0.47141%0.413SS..Hα-helixtrans-63-43.5176.5-71.7177.3000111.3I99 G105 I106 L107I99-L103 HydrophobicContact CG2-CD1 3.7Å; I99-L103 HydrophobicContact CG2-CG 4.13Å; I99-L103 WeakPolarHBondContact O-CB 3.42Å; I99-L103 VanDerWaalsContact O-CG 3.25Å; I99-L103 WeakPolarHBondContact O-CG 3.45Å; I99-L103 PolarHBondContact O-N 3.33Å; L103-G105 PolarHBondContact O-N 3.18Å; L103-I106 PolarHBondContact O-N 2.86Å; L103-L107 VanDerWaalsContact O-CB 3.3Å; L103-L107 WeakPolarHBondContact O-CB 3.39Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 3.1Å
104G93Very high93.8Very high43 Ų4377.3 Ų77.344%0.44343%0.431SS..Hα-helixtrans-60.8-43.617600000112.1L100 E101 G108L100-G104 WeakPolarHBondContact O-CA 3.39Å; L100-G104 PolarHBondContact O-N 3.31Å; E101-G104 PolarHBondContact O-N 3Å; G104-G108 PolarHBondContact O-N 3.3Å
105G91.1Very high93.5Very high40 Ų4079.5 Ų79.541%0.41245%0.445SS..Hα-helixtrans-62.3-47.7174.700000112.6E101 L102 L103 G108 L109E101-G105 PolarHBondContact O-N 3.43Å; L102-G105 PolarHBondContact O-N 3.32Å; L103-G105 PolarHBondContact O-N 3.18Å; G105-G108 PolarHBondContact O-N 3.46Å; G105-L109 WeakPolarHBondContact O-CG 3.44Å; G105-L109 PolarHBondContact O-N 2.93Å
106I92.4Very high93.2Very high106 Ų10677.3 Ų77.354%0.54443%0.434SS..Hα-helixtrans-62-47.6177.9-67.9163.8000110.6L102 L103 G108 L109 A110L102-I106 WeakPolarHBondContact O-CB 3.31Å; L102-I106 WeakPolarHBondContact O-CD1 3.45Å; L102-I106 VanDerWaalsContact O-CG1 3.22Å; L102-I106 WeakPolarHBondContact O-CG1 3.46Å; L102-I106 PolarHBondContact O-N 2.9Å; L103-I106 PolarHBondContact O-N 2.86Å; I106-G108 PolarHBondContact O-N 2.99Å; I106-L109 PolarHBondContact O-N 3.46Å; I106-A110 VanDerWaalsContact O-CB 3.24Å; I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 2.96Å
107L93.4Very high93Very high95 Ų9579.2 Ų79.250%0.49744%0.437SS..Hα-helixtrans-64.5-40.1179.1-71.1173.8000111.8L103 L109 A110 F111L103-L107 VanDerWaalsContact O-CB 3.3Å; L103-L107 WeakPolarHBondContact O-CB 3.39Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 3.1Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 PolarHBondContact O-N 3.47Å; L107-A110 PolarHBondContact O-N 2.97Å; L107-F111 HydrophobicContact CD2-CD2 3.95Å; L107-F111 HydrophobicContact CD2-CE2 3.65Å; L107-F111 WeakPolarHBondContact O-CB 3.18Å; L107-F111 WeakPolarHBondContact O-CD2 3.32Å; L107-F111 PolarHBondContact O-N 2.96Å
108G89.2Confident92.8Very high28 Ų2882.9 Ų82.929%0.28945%0.454SS..Hα-helixtrans-62.9-33.5176.200000113.1G104 G105 I106 R112G104-G108 PolarHBondContact O-N 3.3Å; G105-G108 PolarHBondContact O-N 3.46Å; I106-G108 PolarHBondContact O-N 2.99Å; G108-R112 WeakPolarHBondContact O-CA 3.46Å; G108-R112 PolarHBondContact O-N 2.84Å
109L88.3Confident92.6Very high143 Ų14384.6 Ų84.675%0.74947%0.466SS*.Hα-helixtrans-79.9-44.8174.3-68.1175.2000112.4G105 I106 L107 F111 R112G105-L109 WeakPolarHBondContact O-CG 3.44Å; G105-L109 PolarHBondContact O-N 2.93Å; I106-L109 PolarHBondContact O-N 3.46Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 PolarHBondContact O-N 3.47Å; L109-F111 VanDerWaalsContact C-N 3.32Å; L109-F111 PolarHBondContact O-N 3Å; L109-R112 PolarHBondContact O-N 3.42Å
110A93.4Very high92.4Very high70 Ų7081.1 Ų81.158%0.57945%0.448SS*.Hα-helixtrans-65.7-35.1-178.100000112.5I106 L107I106-A110 VanDerWaalsContact O-CB 3.24Å; I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 2.96Å; L107-A110 PolarHBondContact O-N 2.97Å
111F93.8Very high92.2Very high108 Ų10882 Ų8247%0.47445%0.447SS..THydrogen-bonded Turntrans-111.536179.3-60.3-74.9000112.2L107 L109 D113 K114 T115L107-F111 HydrophobicContact CD2-CD2 3.95Å; L107-F111 HydrophobicContact CD2-CE2 3.65Å; L107-F111 WeakPolarHBondContact O-CB 3.18Å; L107-F111 WeakPolarHBondContact O-CD2 3.32Å; L107-F111 PolarHBondContact O-N 2.96Å; L109-F111 VanDerWaalsContact C-N 3.32Å; L109-F111 PolarHBondContact O-N 3Å; F111-D113 VanDerWaalsContact C-N 3.27Å; F111-D113 PolarHBondContact O-N 3.34Å; F111-D113 VanDerWaalsContact O-N 3.16Å; F111-K114 HydrophobicContact CB-CB 4.44Å; F111-K114 HydrophobicContact CD1-CD 4.48Å; F111-K114 PolarHBondContact O-N 2.91Å; F111-T115 PolarHBondContact O-N 3.36Å; F111-T115 PolarHBondContact O-OG1 2.9Å
112R90Very high92Very high94 Ų9482.5 Ų82.536%0.35545%0.452SS..Hα-helixtrans-47.4-47.7-176.2178.4-176.9169.7-140.5-0.5112.9G108 L109 K114 T115 L116 V220G108-R112 WeakPolarHBondContact O-CA 3.46Å; G108-R112 PolarHBondContact O-N 2.84Å; L109-R112 PolarHBondContact O-N 3.42Å; R112-K114 PolarHBondContact O-N 2.91Å; R112-T115 WeakPolarHBondContact O-CB 3.42Å; R112-T115 PolarHBondContact O-N 3.43Å; R112-T115 VanDerWaalsContact O-N 3.17Å; R112-L116 HydrophobicContact CG-CD1 3.96Å; R112-L116 HydrophobicContact CG-CG 4.28Å; R112-L116 WeakPolarHBondContact O-CG 3.31Å; R112-L116 PolarHBondContact O-N 3.5Å; R112-V220 VanDerWaalsContact CZ-CG1 3.46Å; R112-V220 VanDerWaalsContact NH2-CB 3.3Å
113D91.5Very high91.9Very high118 Ų11879.9 Ų79.963%0.63144%0.438SS*.Hα-helixtrans-62.3-44.3-176.9-58.4-35.8000111.5F111 T115 L116 D117F111-D113 VanDerWaalsContact C-N 3.27Å; F111-D113 PolarHBondContact O-N 3.34Å; F111-D113 VanDerWaalsContact O-N 3.16Å; D113-T115 VanDerWaalsContact C-N 3.32Å; D113-T115 PolarHBondContact O-N 3.17Å; D113-L116 PolarHBondContact O-N 2.82Å; D113-D117 PolarHBondContact O-N 2.92Å
114K93.1Very high91.8Very high149 Ų14981.2 Ų81.265%0.64844%0.437SS*.Hα-helixtrans-65.1-37175.5-66.8-171.1177.4-172.70112.3F111 R112 L118F111-K114 HydrophobicContact CB-CB 4.44Å; F111-K114 HydrophobicContact CD1-CD 4.48Å; F111-K114 PolarHBondContact O-N 2.91Å; R112-K114 PolarHBondContact O-N 2.91Å; K114-L118 PolarHBondContact O-N 3.5Å; K114-L118 VanDerWaalsContact O-N 3.07Å
115T89.5Confident91.7Very high61 Ų6184.5 Ų84.537%0.37444%0.439SS..Hα-helixtrans-64.5-43.9175.1-60.90000110.7F111 R112 D113 L118 V119F111-T115 PolarHBondContact O-N 3.36Å; F111-T115 PolarHBondContact O-OG1 2.9Å; R112-T115 WeakPolarHBondContact O-CB 3.42Å; R112-T115 PolarHBondContact O-N 3.43Å; R112-T115 VanDerWaalsContact O-N 3.17Å; D113-T115 VanDerWaalsContact C-N 3.32Å; D113-T115 PolarHBondContact O-N 3.17Å; T115-L118 PolarHBondContact O-N 3.32Å; T115-V119 VanDerWaalsContact O-CG2 3.3Å; T115-V119 WeakPolarHBondContact O-CG2 3.44Å; T115-V119 PolarHBondContact O-N 2.9Å
116L91.8Very high91.6Very high22 Ų2282.8 Ų82.812%0.11542%0.421CS..Hα-helixtrans-63.6-43.2176.2-70.3174.6000111.7R112 D113 L118 V119 N120 V220R112-L116 HydrophobicContact CG-CD1 3.96Å; R112-L116 HydrophobicContact CG-CG 4.28Å; R112-L116 WeakPolarHBondContact O-CG 3.31Å; R112-L116 PolarHBondContact O-N 3.5Å; D113-L116 PolarHBondContact O-N 2.82Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 3.44Å; L116-V119 PolarHBondContact O-N 3.48Å; L116-N120 WeakPolarHBondContact O-CB 3.16Å; L116-N120 VanDerWaalsContact O-CG 3.27Å; L116-N120 PolarHBondContact O-N 3.47Å; L116-N120 PolarHBondContact O-ND2 3.06Å; L116-V220 HydrophobicContact CD1-CG2 4.41Å; L116-V220 HydrophobicContact CD2-CG2 3.94Å
117D93.1Very high91.7Very high86 Ų8677.7 Ų77.746%0.4640%0.395SS..Hα-helixtrans-58.1-43175.2-76.2-8.2000112.2D113 K121D113-D117 PolarHBondContact O-N 2.92Å; D117-K121 WeakPolarHBondContact O-CB 3.22Å; D117-K121 WeakPolarHBondContact O-CG 3.41Å; D117-K121 PolarHBondContact O-N 3.48Å
118L91.1Very high91.7Very high107 Ų10777.1 Ų77.156%0.5639%0.39SS*.Hα-helixtrans-65.7-42.7177.8-175.766.2000111.3K114 T115 L116 K121 N122K114-L118 PolarHBondContact O-N 3.5Å; K114-L118 VanDerWaalsContact O-N 3.07Å; T115-L118 PolarHBondContact O-N 3.32Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 3.44Å; L118-K121 PolarHBondContact O-N 3.32Å; L118-N122 PolarHBondContact O-N 3.49Å; L118-N122 PolarHBondContact O-ND2 2.88Å
119V91.5Very high91.6Very high61 Ų6178.6 Ų78.637%0.3739%0.391SS..Hα-helixtrans-62.6-48.8175.8169.50000110.6T115 L116 K121 N122 I123T115-V119 VanDerWaalsContact O-CG2 3.3Å; T115-V119 WeakPolarHBondContact O-CG2 3.44Å; T115-V119 PolarHBondContact O-N 2.9Å; L116-V119 PolarHBondContact O-N 3.48Å; V119-K121 VanDerWaalsContact C-N 3.35Å; V119-K121 PolarHBondContact O-N 2.69Å; V119-N122 PolarHBondContact O-N 2.97Å; V119-N122 VanDerWaalsContact O-N 3.09Å; V119-I123 HydrophobicContact CG1-CD1 3.73Å; V119-I123 HydrophobicContact CG1-CG1 4.31Å; V119-I123 WeakPolarHBondContact O-CG1 3.38Å; V119-I123 PolarHBondContact O-N 3.47Å
120N93.9Very high91.7Very high8 Ų872 Ų724%0.04336%0.356CS..Hα-helixtrans-60.4-42.9178.7-72.4-24.4000111.5L116 N122 I123 R124 G152 E153 S216L116-N120 WeakPolarHBondContact O-CB 3.16Å; L116-N120 VanDerWaalsContact O-CG 3.27Å; L116-N120 PolarHBondContact O-N 3.47Å; L116-N120 PolarHBondContact O-ND2 3.06Å; N120-N122 VanDerWaalsContact C-N 3.32Å; N120-N122 PolarHBondContact O-N 3.11Å; N120-I123 PolarHBondContact O-N 3.26Å; N120-R124 WeakPolarHBondContact O-CB 3.46Å; N120-R124 PolarHBondContact O-N 3.36Å; N120-G152 VanDerWaalsContact OD1-C 3.27Å; N120-G152 PolarHBondContact OD1-O 3.45Å; N120-E153 HydrophobicContact CB-CB 4.22Å; N120-S216 PolarHBondContact ND2-OG 3Å; N120-S216 WeakPolarHBondContact OD1-CB 3.25Å; N120-S216 PolarHBondContact OD1-OG 3.31Å
121K91.9Very high91.5Very high138 Ų13872.3 Ų72.360%0.634%0.343SS*.Hα-helixtrans-58.5-42.6172.7-83.4176.8178.7170.50112.5D117 L118 V119 K125D117-K121 WeakPolarHBondContact O-CB 3.22Å; D117-K121 WeakPolarHBondContact O-CG 3.41Å; D117-K121 PolarHBondContact O-N 3.48Å; L118-K121 PolarHBondContact O-N 3.32Å; V119-K121 VanDerWaalsContact C-N 3.35Å; V119-K121 PolarHBondContact O-N 2.69Å; K121-K125 WeakPolarHBondContact O-CG 3.39Å; K121-K125 PolarHBondContact O-N 2.97Å
122N89.8Confident91.2Very high80 Ų8072.3 Ų72.343%0.42835%0.348SS..Hα-helixtrans-69.7-40.4178.7-72.3-21000112L118 V119 N120 K125 G126L118-N122 PolarHBondContact O-N 3.49Å; L118-N122 PolarHBondContact O-ND2 2.88Å; V119-N122 PolarHBondContact O-N 2.97Å; V119-N122 VanDerWaalsContact O-N 3.09Å; N120-N122 VanDerWaalsContact C-N 3.32Å; N120-N122 PolarHBondContact O-N 3.11Å; N122-K125 PolarHBondContact O-N 3.31Å; N122-G126 PolarHBondContact O-N 3.33Å
123I92.8Very high90.8Very high31 Ų3169.1 Ų69.116%0.15934%0.338CS..Hα-helixtrans-61.4-46.2173.9-67.5169.8000110V119 N120 K125 G126 I127 F136 L140V119-I123 HydrophobicContact CG1-CD1 3.73Å; V119-I123 HydrophobicContact CG1-CG1 4.31Å; V119-I123 WeakPolarHBondContact O-CG1 3.38Å; V119-I123 PolarHBondContact O-N 3.47Å; N120-I123 PolarHBondContact O-N 3.26Å; I123-K125 PolarHBondContact O-N 3.48Å; I123-G126 CarbonylContact O-C 3.59Å; I123-G126 WeakPolarHBondContact O-CA 3.48Å; I123-G126 PolarHBondContact O-N 3.46Å; I123-I127 HydrophobicContact CG2-CD1 3.9Å; I123-I127 HydrophobicContact CG2-CG1 4.31Å; I123-I127 WeakPolarHBondContact O-CG1 3.4Å; I123-I127 PolarHBondContact O-N 2.95Å; I123-F136 HydrophobicContact CG2-CZ 4.41Å; I123-L140 HydrophobicContact CG2-CD1 4.37Å
124R93.3Very high90.5Very high118 Ų11868.5 Ų68.545%0.44533%0.334SS..Hα-helixtrans-60.2-43.8179.1-170.8169.3-179.5-974.5112.3N120 G126 I127 E128 V160N120-R124 WeakPolarHBondContact O-CB 3.46Å; N120-R124 PolarHBondContact O-N 3.36Å; R124-G126 VanDerWaalsContact C-N 3.29Å; R124-G126 PolarHBondContact O-N 3.15Å; R124-I127 WeakPolarHBondContact O-CB 3.27Å; R124-I127 PolarHBondContact O-N 2.83Å; R124-E128 PolarHBondContact O-N 3.37Å; R124-E128 VanDerWaalsContact O-N 3.14Å; R124-V160 HydrophobicContact CG-CG1 3.97Å; R124-V160 HydrophobicContact CG-CG2 4.16Å; R124-V160 VanDerWaalsContact NE-CG1 3.33Å
125K90.6Very high90Very high111 Ų11164.6 Ų64.648%0.48332%0.321SS..Hα-helixtrans-65.4-31.8172.4-66.7177.9175.5-1790113.1F54 K121 N122 I123 E128 N129F54-K125 HydrophobicContact CE1-CB 4.42Å; F54-K125 HydrophobicContact CZ-CB 3.74Å; K121-K125 WeakPolarHBondContact O-CG 3.39Å; K121-K125 PolarHBondContact O-N 2.97Å; N122-K125 PolarHBondContact O-N 3.31Å; I123-K125 PolarHBondContact O-N 3.48Å; K125-E128 WeakPolarHBondContact O-CB 3.43Å; K125-N129 PolarHBondContact O-ND2 3.03Å
126G89.8Confident89.9Confident4 Ų463.8 Ų63.84%0.04131%0.312CS..Hα-helixtrans-67-40.5171.600000111.9N122 I123 R124 E128 N129 Y130 F136N122-G126 PolarHBondContact O-N 3.33Å; I123-G126 CarbonylContact O-C 3.59Å; I123-G126 WeakPolarHBondContact O-CA 3.48Å; I123-G126 PolarHBondContact O-N 3.46Å; R124-G126 VanDerWaalsContact C-N 3.29Å; R124-G126 PolarHBondContact O-N 3.15Å; G126-E128 VanDerWaalsContact C-N 3.28Å; G126-E128 PolarHBondContact O-N 2.93Å; G126-N129 CarbonylContact O-C 3.05Å; G126-N129 PolarHBondContact O-N 3.08Å; G126-Y130 PolarHBondContact O-N 3.44Å; G126-Y130 VanDerWaalsContact O-N 3.08Å; G126-F136 VanDerWaalsContact C-CZ 3.49Å; G126-F136 VanDerWaalsContact CA-CZ 3.48Å; G126-F136 WeakPolarHBondContact O-CD1 3.32Å; G126-F136 VanDerWaalsContact O-CE1 3.28Å; G126-F136 WeakPolarHBondContact O-CE1 3.28Å
127I94.4Very high89.8Confident0 Ų065.1 Ų65.10%032%0.317CS..Hα-helixtrans-60.4-37.5176.2-71.5168.9000111.1I123 R124 N129 Y130 F136 L140 D157 W158 V160 N161I123-I127 HydrophobicContact CG2-CD1 3.9Å; I123-I127 HydrophobicContact CG2-CG1 4.31Å; I123-I127 WeakPolarHBondContact O-CG1 3.4Å; I123-I127 PolarHBondContact O-N 2.95Å; R124-I127 WeakPolarHBondContact O-CB 3.27Å; R124-I127 PolarHBondContact O-N 2.83Å; I127-N129 PolarHBondContact O-N 2.9Å; I127-Y130 VanDerWaalsContact O-CB 3.25Å; I127-Y130 WeakPolarHBondContact O-CB 3.06Å; I127-Y130 PolarHBondContact O-N 2.97Å; I127-F136 HydrophobicContact CG1-CE1 4.31Å; I127-F136 HydrophobicContact CG1-CZ 4.4Å; I127-L140 HydrophobicContact CD1-CD2 4.31Å; I127-L140 HydrophobicContact CG1-CD2 3.73Å; I127-D157 HydrophobicContact CD1-CB 3.82Å; I127-W158 HydrophobicContact CG1-CH2 4.43Å; I127-W158 HydrophobicContact CG1-CZ2 4.48Å; I127-W158 HydrophobicContact CG2-CD2 4.11Å; I127-W158 HydrophobicContact CG2-CE3 3.68Å; I127-W158 HydrophobicContact CG2-CH2 4.5Å; I127-W158 HydrophobicContact CG2-CZ3 3.92Å; I127-V160 HydrophobicContact CB-CG2 4.25Å; I127-V160 HydrophobicContact CG2-CG2 3.82Å; I127-N161 HydrophobicContact CG2-CB 4.03Å; I127-N161 PolarHBondContact O-ND2 3.28Å
128E92.8Very high89.7Confident82 Ų8265.3 Ų65.338%0.38332%0.318SS..Hα-helixtrans-52.4-41.9173.5-68.6172.6-176.300111.8R124 K125 G126 V160 N161R124-E128 PolarHBondContact O-N 3.37Å; R124-E128 VanDerWaalsContact O-N 3.14Å; K125-E128 WeakPolarHBondContact O-CB 3.43Å; G126-E128 VanDerWaalsContact C-N 3.28Å; G126-E128 PolarHBondContact O-N 2.93Å; E128-V160 HydrophobicContact CB-CG2 4.46Å; E128-V160 HydrophobicContact CG-CB 3.79Å; E128-V160 HydrophobicContact CG-CG2 3.49Å; E128-V160 VanDerWaalsContact CG-CG2 3.49Å; E128-N161 PolarHBondContact O-ND2 2.95Å
129N88.4Confident89.7Confident60 Ų6064.2 Ų64.232%0.32131%0.312SS..THydrogen-bonded Turntrans-103.521.3-177-56.3-70.6000113.1K125 G126 I127 Y131 D132 D133K125-N129 PolarHBondContact O-ND2 3.03Å; G126-N129 CarbonylContact O-C 3.05Å; G126-N129 PolarHBondContact O-N 3.08Å; I127-N129 PolarHBondContact O-N 2.9Å; N129-Y131 VanDerWaalsContact C-N 3.27Å; N129-Y131 PolarHBondContact O-N 3.2Å; N129-Y131 VanDerWaalsContact O-N 3.13Å; N129-D132 PolarHBondContact O-N 3.31Å; N129-D133 PolarHBondContact O-N 2.71Å
130Y90.3Very high89.8Confident3 Ų361.6 Ų61.61%0.01230%0.296CS..THydrogen-bonded Turntrans-57.4-31.8-170.1172.1-96.4000114.7G126 I127 F136 K137 L140 D141 W158 P177G126-Y130 PolarHBondContact O-N 3.44Å; G126-Y130 VanDerWaalsContact O-N 3.08Å; I127-Y130 VanDerWaalsContact O-CB 3.25Å; I127-Y130 WeakPolarHBondContact O-CB 3.06Å; I127-Y130 PolarHBondContact O-N 2.97Å; Y130-F136 HydrophobicContact CD2-CD1 4.31Å; Y130-F136 HydrophobicContact CD2-CE1 4.29Å; Y130-K137 HydrophobicContact CD2-CB 4.2Å; Y130-K137 HydrophobicContact CD2-CG 4.32Å; Y130-K137 HydrophobicContact CE1-CD 4Å; Y130-K137 HydrophobicContact CE1-CG 4.19Å; Y130-K137 HydrophobicContact CE2-CB 4.01Å; Y130-K137 HydrophobicContact CE2-CD 4.4Å; Y130-K137 HydrophobicContact CE2-CG 3.7Å; Y130-K137 WeakPolarHBondContact O-CB 3.4Å; Y130-L140 HydrophobicContact CD2-CD2 4.07Å; Y130-L140 HydrophobicContact CE2-CB 4.5Å; Y130-L140 HydrophobicContact CE2-CD2 4.23Å; Y130-D141 WeakPolarHBondContact CE2-OD1 3.32Å; Y130-D141 VanDerWaalsContact OH-CG 3.26Å; Y130-D141 PolarHBondContact OH-OD1 2.95Å; Y130-D141 PolarHBondContact OH-OD2 3.01Å; Y130-W158 HydrophobicContact CD1-CH2 4.1Å; Y130-W158 AromaticContact CD1-CZ3 3.9Å; Y130-W158 HydrophobicContact CD1-CZ3 3.9Å; Y130-W158 AromaticContact CD2-CH2 3.61Å; Y130-W158 HydrophobicContact CD2-CH2 3.61Å; Y130-W158 HydrophobicContact CD2-CZ3 4.1Å; Y130-W158 HydrophobicContact CE1-CH2 4.15Å; Y130-W158 HydrophobicContact CE1-CZ3 4.24Å; Y130-W158 AromaticContact CE2-CH2 3.66Å; Y130-W158 HydrophobicContact CE2-CH2 3.66Å; Y130-W158 HydrophobicContact CE2-CZ3 4.42Å; Y130-W158 AromaticContact CG-CH2 3.82Å; Y130-W158 HydrophobicContact CG-CH2 3.82Å; Y130-W158 AromaticContact CG-CZ3 3.81Å; Y130-W158 HydrophobicContact CG-CZ3 3.81Å; Y130-W158 AromaticContact CZ-CH2 3.93Å; Y130-P177 HydrophobicContact CE1-CG 4.34Å
131Y89.1Confident89.9Confident77 Ų7761.9 Ų61.930%0.30230%0.297SS..THydrogen-bonded Turntrans-90.3-18.5177.1-71.2-80.5000113.7N129 Y163 H164 L172N129-Y131 VanDerWaalsContact C-N 3.27Å; N129-Y131 PolarHBondContact O-N 3.2Å; N129-Y131 VanDerWaalsContact O-N 3.13Å; Y131-Y163 AromaticContact CD2-CD2 3.29Å; Y131-Y163 HydrophobicContact CD2-CD2 3.29Å; Y131-Y163 AromaticContact CD2-CE2 3.72Å; Y131-Y163 HydrophobicContact CD2-CE2 3.72Å; Y131-Y163 AromaticContact CD2-CG 4Å; Y131-Y163 HydrophobicContact CD2-CG 4Å; Y131-Y163 AromaticContact CE2-CD2 3.76Å; Y131-Y163 HydrophobicContact CE2-CD2 3.76Å; Y131-Y163 HydrophobicContact CE2-CG 4.02Å; Y131-Y163 HydrophobicContact CG-CD2 4.14Å; Y131-Y163 HydrophobicContact CG-CE2 4.13Å; Y131-H164 AromaticContact CE2-NE2 3.73Å; Y131-H164 AromaticContact CZ-NE2 3.93Å; Y131-H164 PolarHBondContact OH-NE2 3.13Å; Y131-L172 WeakPolarHBondContact OH-CD1 3.44Å
132D86.2Confident90Very high108 Ų10861.5 Ų61.558%0.57830%0.296SS*.THydrogen-bonded Turntrans-88.5-26.6-180-55.3-41000111.1K48 N129K48-D132 WeakPolarHBondContact CE-O 3.29Å; N129-D132 PolarHBondContact O-N 3.31Å
133D82.8Confident90.3Very high28 Ų2859.5 Ų59.515%0.1529%0.286CS..  trans-107.593175.9-161.1-31.9000112.2K48 N129 D135 F136 K137K48-D133 IonicContact NZ-OD1 2.87Å; K48-D133 PolarHBondContact NZ-OD1 3.38Å; K48-D133 IonicContact NZ-OD2 3.8Å; K48-D133 PolarHBondContact NZ-OD2 2.91Å; N129-D133 PolarHBondContact O-N 2.71Å; D133-D135 VanDerWaalsContact C-N 3.27Å; D133-D135 PolarHBondContact O-N 3.34Å; D133-D135 WeakPolarHBondContact OD1-CB 3.3Å; D133-D135 PolarHBondContact OD1-N 3.36Å; D133-D135 VanDerWaalsContact OD1-N 3.08Å; D133-F136 HydrophobicContact CB-CB 3.89Å; D133-F136 PolarHBondContact O-N 2.95Å; D133-F136 PolarHBondContact OD1-N 2.86Å; D133-F136 VanDerWaalsContact OD1-N 3.08Å; D133-K137 WeakPolarHBondContact O-CB 3.37Å; D133-K137 PolarHBondContact O-N 3.17Å
134L84.1Confident90.5Very high105 Ų10558 Ų5855%0.5528%0.278SS..Hα-helixtrans-61.6-32.3178.6-171.162.9000113.2K137 N138L134-K137 HydrophobicContact CD1-CD 4.45Å; L134-N138 WeakPolarHBondContact O-CB 3.22Å; L134-N138 PolarHBondContact O-N 3.28Å; L134-N138 PolarHBondContact O-ND2 3.44Å; L134-N138 VanDerWaalsContact O-ND2 3.13Å
135D82.9Confident90.5Very high67 Ų6757.3 Ų57.336%0.35828%0.279SS..Hα-helixtrans-69-49.1178.8-57.7-49.2000110K48 D133 K137 N138 I139K48-D135 IonicContact NZ-OD2 3.83Å; D133-D135 VanDerWaalsContact C-N 3.27Å; D133-D135 PolarHBondContact O-N 3.34Å; D133-D135 WeakPolarHBondContact OD1-CB 3.3Å; D133-D135 PolarHBondContact OD1-N 3.36Å; D133-D135 VanDerWaalsContact OD1-N 3.08Å; D135-K137 VanDerWaalsContact C-N 3.31Å; D135-K137 PolarHBondContact O-N 2.93Å; D135-N138 PolarHBondContact O-N 3.32Å; D135-I139 VanDerWaalsContact O-CG1 3.28Å; D135-I139 WeakPolarHBondContact O-CG1 3.25Å; D135-I139 PolarHBondContact O-N 3.46Å
136F87.3Confident90.6Very high43 Ų4358.3 Ų58.319%0.18928%0.283CS..Hα-helixtrans-60.3-43.5175.5179.1-96000111.1I123 G126 I127 Y130 D133 I139 L140I123-F136 HydrophobicContact CG2-CZ 4.41Å; G126-F136 VanDerWaalsContact C-CZ 3.49Å; G126-F136 VanDerWaalsContact CA-CZ 3.48Å; G126-F136 WeakPolarHBondContact O-CD1 3.32Å; G126-F136 VanDerWaalsContact O-CE1 3.28Å; G126-F136 WeakPolarHBondContact O-CE1 3.28Å; I127-F136 HydrophobicContact CG1-CE1 4.31Å; I127-F136 HydrophobicContact CG1-CZ 4.4Å; Y130-F136 HydrophobicContact CD2-CD1 4.31Å; Y130-F136 HydrophobicContact CD2-CE1 4.29Å; D133-F136 HydrophobicContact CB-CB 3.89Å; D133-F136 PolarHBondContact O-N 2.95Å; D133-F136 PolarHBondContact OD1-N 2.86Å; D133-F136 VanDerWaalsContact OD1-N 3.08Å; F136-I139 PolarHBondContact O-N 2.92Å; F136-L140 HydrophobicContact CE1-CB 4.16Å; F136-L140 HydrophobicContact CE1-CD2 3.66Å; F136-L140 HydrophobicContact CE1-CG 4.49Å; F136-L140 HydrophobicContact CZ-CB 4.3Å; F136-L140 HydrophobicContact CZ-CD2 3.88Å; F136-L140 WeakPolarHBondContact O-CB 3.4Å; F136-L140 PolarHBondContact O-N 3.42Å
137K90.6Very high90.8Very high50 Ų5060.1 Ų60.122%0.21729%0.29CS..Hα-helixtrans-54.8-54175.2175.7162.9-178.2169.50112.2Y130 D133 L134 D135 I139 L140 D141Y130-K137 HydrophobicContact CD2-CB 4.2Å; Y130-K137 HydrophobicContact CD2-CG 4.32Å; Y130-K137 HydrophobicContact CE1-CD 4Å; Y130-K137 HydrophobicContact CE1-CG 4.19Å; Y130-K137 HydrophobicContact CE2-CB 4.01Å; Y130-K137 HydrophobicContact CE2-CD 4.4Å; Y130-K137 HydrophobicContact CE2-CG 3.7Å; Y130-K137 WeakPolarHBondContact O-CB 3.4Å; D133-K137 WeakPolarHBondContact O-CB 3.37Å; D133-K137 PolarHBondContact O-N 3.17Å; L134-K137 HydrophobicContact CD1-CD 4.45Å; D135-K137 VanDerWaalsContact C-N 3.31Å; D135-K137 PolarHBondContact O-N 2.93Å; K137-I139 VanDerWaalsContact C-N 3.28Å; K137-I139 PolarHBondContact O-N 3.47Å; K137-L140 PolarHBondContact O-N 3.02Å; K137-D141 VanDerWaalsContact O-CB 3.23Å; K137-D141 WeakPolarHBondContact O-CB 3.49Å; K137-D141 VanDerWaalsContact O-CG 3.23Å; K137-D141 PolarHBondContact O-N 2.88Å
138N90.4Very high90.9Very high91 Ų9166.2 Ų66.249%0.48732%0.318SS..Hα-helixtrans-60.7-40-178.3-72.7-27.4000111.6L134 D135 F142L134-N138 WeakPolarHBondContact O-CB 3.22Å; L134-N138 PolarHBondContact O-N 3.28Å; L134-N138 PolarHBondContact O-ND2 3.44Å; L134-N138 VanDerWaalsContact O-ND2 3.13Å; D135-N138 PolarHBondContact O-N 3.32Å; N138-F142 VanDerWaalsContact O-CB 3.3Å; N138-F142 WeakPolarHBondContact O-CB 3.48Å; N138-F142 PolarHBondContact O-N 2.86Å
139I91.1Very high91Very high84 Ų8462.3 Ų62.343%0.43130%0.3SS..Hα-helixtrans-66.6-49.7177.1-68.2166.6000110.8P57 D135 F136 K137 F142 V143P57-I139 HydrophobicContact CG-CD1 4.12Å; D135-I139 VanDerWaalsContact O-CG1 3.28Å; D135-I139 WeakPolarHBondContact O-CG1 3.25Å; D135-I139 PolarHBondContact O-N 3.46Å; F136-I139 PolarHBondContact O-N 2.92Å; K137-I139 VanDerWaalsContact C-N 3.28Å; K137-I139 PolarHBondContact O-N 3.47Å; I139-F142 PolarHBondContact O-N 3.38Å; I139-V143 HydrophobicContact CG2-CG2 4.34Å; I139-V143 WeakPolarHBondContact O-CB 3.48Å; I139-V143 VanDerWaalsContact O-CG2 3.25Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 3.45Å
140L94.3Very high91.4Very high6 Ų659.5 Ų59.53%0.03129%0.285CS..Hα-helixtrans-65.3-41.7-178.7-174.561.6000110.9I123 I127 Y130 F136 K137 F142 V143 Q144 W158I123-L140 HydrophobicContact CG2-CD1 4.37Å; I127-L140 HydrophobicContact CD1-CD2 4.31Å; I127-L140 HydrophobicContact CG1-CD2 3.73Å; Y130-L140 HydrophobicContact CD2-CD2 4.07Å; Y130-L140 HydrophobicContact CE2-CB 4.5Å; Y130-L140 HydrophobicContact CE2-CD2 4.23Å; F136-L140 HydrophobicContact CE1-CB 4.16Å; F136-L140 HydrophobicContact CE1-CD2 3.66Å; F136-L140 HydrophobicContact CE1-CG 4.49Å; F136-L140 HydrophobicContact CZ-CB 4.3Å; F136-L140 HydrophobicContact CZ-CD2 3.88Å; F136-L140 WeakPolarHBondContact O-CB 3.4Å; F136-L140 PolarHBondContact O-N 3.42Å; K137-L140 PolarHBondContact O-N 3.02Å; L140-F142 VanDerWaalsContact C-N 3.32Å; L140-F142 PolarHBondContact O-N 3.03Å; L140-V143 PolarHBondContact O-N 2.85Å; L140-Q144 HydrophobicContact CD1-CG 4.13Å; L140-Q144 HydrophobicContact CG-CG 4.23Å; L140-Q144 WeakPolarHBondContact O-CB 3.22Å; L140-Q144 VanDerWaalsContact O-CG 3.24Å; L140-Q144 WeakPolarHBondContact O-CG 3.43Å; L140-Q144 PolarHBondContact O-N 3.46Å; L140-Q144 PolarHBondContact O-OE1 2.85Å; L140-W158 HydrophobicContact CD2-CH2 3.88Å; L140-W158 HydrophobicContact CD2-CZ2 3.78Å
141D94.9Very high91.7Very high14 Ų1459.3 Ų59.38%0.07528%0.284CS..Hα-helixtrans-59-43.7174.7-79.43.6000111.7Y130 K137 K145 T179Y130-D141 WeakPolarHBondContact CE2-OD1 3.32Å; Y130-D141 VanDerWaalsContact OH-CG 3.26Å; Y130-D141 PolarHBondContact OH-OD1 2.95Å; Y130-D141 PolarHBondContact OH-OD2 3.01Å; K137-D141 VanDerWaalsContact O-CB 3.23Å; K137-D141 WeakPolarHBondContact O-CB 3.49Å; K137-D141 VanDerWaalsContact O-CG 3.23Å; K137-D141 PolarHBondContact O-N 2.88Å; D141-K145 WeakPolarHBondContact O-CB 3.33Å; D141-K145 VanDerWaalsContact O-CG 3.25Å; D141-K145 WeakPolarHBondContact O-CG 3.23Å; D141-K145 PolarHBondContact O-N 3.36Å; D141-K145 VanDerWaalsContact O-N 3.12Å; D141-T179 HydrophobicContact CB-CG2 3.74Å; D141-T179 VanDerWaalsContact CG-CG2 3.42Å; D141-T179 WeakPolarHBondContact OD1-CG2 3.31Å
142F94.8Very high92Very high130 Ų13055.7 Ų55.757%0.5727%0.27SS*.Hα-helixtrans-63.6-47.8175.1174.7-95.8000111.2N138 I139 L140 K145 K146N138-F142 VanDerWaalsContact O-CB 3.3Å; N138-F142 WeakPolarHBondContact O-CB 3.48Å; N138-F142 PolarHBondContact O-N 2.86Å; I139-F142 PolarHBondContact O-N 3.38Å; L140-F142 VanDerWaalsContact C-N 3.32Å; L140-F142 PolarHBondContact O-N 3.03Å; F142-K145 PolarHBondContact O-N 2.97Å; F142-K146 HydrophobicContact CD1-CB 4.43Å; F142-K146 HydrophobicContact CE1-CB 4.14Å; F142-K146 HydrophobicContact CE1-CG 4.16Å; F142-K146 HydrophobicContact CZ-CB 4.2Å; F142-K146 HydrophobicContact CZ-CD 4.37Å; F142-K146 HydrophobicContact CZ-CG 4.08Å; F142-K146 WeakPolarHBondContact O-CB 3.39Å; F142-K146 PolarHBondContact O-N 2.89Å
143V95.5Very high92.5Very high37 Ų3755.2 Ų55.222%0.22426%0.264CS..Hα-helixtrans-60.9-48.2-179.61680000110.7I139 L140 K145 K146 F147 C215I139-V143 HydrophobicContact CG2-CG2 4.34Å; I139-V143 WeakPolarHBondContact O-CB 3.48Å; I139-V143 VanDerWaalsContact O-CG2 3.25Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 3.45Å; L140-V143 PolarHBondContact O-N 2.85Å; V143-K145 PolarHBondContact O-N 3.45Å; V143-K146 PolarHBondContact O-N 2.89Å; V143-F147 HydrophobicContact CB-CD2 4.4Å; V143-F147 HydrophobicContact CG1-CD2 3.9Å; V143-F147 HydrophobicContact CG1-CE2 4.5Å; V143-F147 WeakPolarHBondContact O-CB 3.36Å; V143-F147 WeakPolarHBondContact O-CD2 3.39Å; V143-F147 PolarHBondContact O-N 3.22Å; V143-C215 HydrophobicContact CG1-CB 3.83Å
144Q96.5Very high93.1Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-59.3-46179.5-72.6176.9-56.700111.9L140 Q148 C149 T179 C180L140-Q144 HydrophobicContact CD1-CG 4.13Å; L140-Q144 HydrophobicContact CG-CG 4.23Å; L140-Q144 WeakPolarHBondContact O-CB 3.22Å; L140-Q144 VanDerWaalsContact O-CG 3.24Å; L140-Q144 WeakPolarHBondContact O-CG 3.43Å; L140-Q144 PolarHBondContact O-N 3.46Å; L140-Q144 PolarHBondContact O-OE1 2.85Å; Q144-Q148 VanDerWaalsContact O-CA 3.27Å; Q144-Q148 WeakPolarHBondContact O-CA 3.47Å; Q144-Q148 PolarHBondContact O-N 2.98Å; Q144-C149 WeakPolarHBondContact CA-O 3.22Å; Q144-C149 WeakPolarHBondContact CB-O 3.05Å; Q144-C149 WeakPolarHBondContact CG-O 3.49Å; Q144-C149 PolarHBondContact O-N 3.25Å; Q144-C149 VanDerWaalsContact O-N 3.15Å; Q144-T179 PolarHBondContact OE1-OG1 3.5Å; Q144-C180 PolarHBondContact NE2-SG 2.93Å
145K93.5Very high93.6Very high104 Ų10451.1 Ų51.145%0.45224%0.243SC..Hα-helixtrans-67.4-43.1175.9-70.1175.4-173.9173.50112.4D141 F142 V143 Y178 T179D141-K145 WeakPolarHBondContact O-CB 3.33Å; D141-K145 VanDerWaalsContact O-CG 3.25Å; D141-K145 WeakPolarHBondContact O-CG 3.23Å; D141-K145 PolarHBondContact O-N 3.36Å; D141-K145 VanDerWaalsContact O-N 3.12Å; F142-K145 PolarHBondContact O-N 2.97Å; V143-K145 PolarHBondContact O-N 3.45Å; K145-Y178 PolarHBondContact NZ-OH 2.85Å; K145-T179 HydrophobicContact CD-CG2 4.4Å; K145-T179 VanDerWaalsContact CE-CG2 3.4Å; K145-T179 HydrophobicContact CG-CG2 4.36Å
146K93.8Very high94.3Very high132 Ų13252.7 Ų52.757%0.57425%0.247SC*.Hα-helixtrans-71.4-40.4-173.3-179.959.6177.7-179.90112.4F142 V143F142-K146 HydrophobicContact CD1-CB 4.43Å; F142-K146 HydrophobicContact CE1-CB 4.14Å; F142-K146 HydrophobicContact CE1-CG 4.16Å; F142-K146 HydrophobicContact CZ-CB 4.2Å; F142-K146 HydrophobicContact CZ-CD 4.37Å; F142-K146 HydrophobicContact CZ-CG 4.08Å; F142-K146 WeakPolarHBondContact O-CB 3.39Å; F142-K146 PolarHBondContact O-N 2.89Å; V143-K146 PolarHBondContact O-N 2.89Å
147F94.2Very high94.7Very high42 Ų4251.6 Ų51.618%0.18424%0.242CC..Hα-helixtrans-103.34.2-176.6-63.6-76.7000113.2V143 C149 A218 F219 W222V143-F147 HydrophobicContact CB-CD2 4.4Å; V143-F147 HydrophobicContact CG1-CD2 3.9Å; V143-F147 HydrophobicContact CG1-CE2 4.5Å; V143-F147 WeakPolarHBondContact O-CB 3.36Å; V143-F147 WeakPolarHBondContact O-CD2 3.39Å; V143-F147 PolarHBondContact O-N 3.22Å; F147-C149 PolarHBondContact O-N 3.46Å; F147-A218 HydrophobicContact CB-CB 4.31Å; F147-F219 AromaticContact CE1-CD2 3.9Å; F147-F219 HydrophobicContact CE1-CD2 3.9Å; F147-F219 HydrophobicContact CE2-CD2 4.28Å; F147-F219 AromaticContact CZ-CD2 3.71Å; F147-F219 HydrophobicContact CZ-CD2 3.71Å; F147-F219 HydrophobicContact CZ-CE2 4.17Å; F147-W222 HydrophobicContact CD1-CB 4Å; F147-W222 HydrophobicContact CD1-CD2 4.5Å; F147-W222 AromaticContact CD1-CG 3.97Å; F147-W222 HydrophobicContact CD1-CG 3.97Å; F147-W222 HydrophobicContact CE1-CB 3.99Å; F147-W222 AromaticContact CE1-CD2 3.68Å; F147-W222 HydrophobicContact CE1-CD2 3.68Å; F147-W222 HydrophobicContact CE1-CE3 4.06Å; F147-W222 AromaticContact CE1-CG 3.62Å; F147-W222 HydrophobicContact CE1-CG 3.62Å
148Q94.7Very high95Very high128 Ų12849.2 Ų49.260%0.59823%0.232SC*.THydrogen-bonded Turntrans51.159.4177.2-68.6-176.5-36.200111.1Q144 H211Q144-Q148 VanDerWaalsContact O-CA 3.27Å; Q144-Q148 WeakPolarHBondContact O-CA 3.47Å; Q144-Q148 PolarHBondContact O-N 2.98Å; Q148-H211 VanDerWaalsContact C-CB 3.46Å; Q148-H211 VanDerWaalsContact C-CG 3.45Å; Q148-H211 VanDerWaalsContact O-CB 3.26Å; Q148-H211 WeakPolarHBondContact O-CB 3.37Å
149C96.7Very high95.2Very high0 Ų049.1 Ų49.10%023%0.229CC..  trans-142.6166.5-171.861.30000111Q144 F147 H211 R213 C215 A218Q144-C149 WeakPolarHBondContact CA-O 3.22Å; Q144-C149 WeakPolarHBondContact CB-O 3.05Å; Q144-C149 WeakPolarHBondContact CG-O 3.49Å; Q144-C149 PolarHBondContact O-N 3.25Å; Q144-C149 VanDerWaalsContact O-N 3.15Å; F147-C149 PolarHBondContact O-N 3.46Å; C149-H211 CarbonylContact C-O 3.51Å; C149-R213 CarbonylContact C-O 3.32Å; C149-R213 VanDerWaalsContact CA-O 3.3Å; C149-R213 WeakPolarHBondContact CA-O 3.45Å; C149-R213 VanDerWaalsContact CB-O 3.27Å; C149-R213 WeakPolarHBondContact CB-O 3.45Å; C149-C215 VanDerWaalsContact C-SG 3.58Å; C149-C215 HydrophobicContact CB-CB 3.89Å; C149-C215 WeakPolarHBondContact CB-SG 3.38Å; C149-C215 WeakPolarHBondContact SG-CA 3.4Å; C149-C215 WeakPolarHBondContact SG-CB 3.3Å; C149-C215 CovalentContact SG-SG 2.04Å; C149-C215 PolarHBondContact SG-SG 3.49Å; C149-A218 HydrophobicContact CB-CB 3.71Å
150C97Very high95.4Very high0 Ų046.8 Ų46.80%022%0.218CC..  trans-140.9131.8179.2-167.40000111.8D154 F155 C180 H211 R213C150-D154 CarbonylContact O-C 3.29Å; C150-F155 HydrophobicContact CB-CB 4.03Å; C150-F155 PolarHBondContact O-N 2.92Å; C150-C180 VanDerWaalsContact CA-SG 3.6Å; C150-C180 HydrophobicContact CB-CB 3.58Å; C150-C180 WeakPolarHBondContact CB-SG 3.25Å; C150-C180 WeakPolarHBondContact SG-CB 3.44Å; C150-C180 CovalentContact SG-SG 2.04Å; C150-C180 PolarHBondContact SG-SG 3.48Å; C150-H211 WeakPolarHBondContact CB-O 3.24Å; C150-H211 PolarHBondContact N-O 3.25Å; C150-H211 VanDerWaalsContact N-O 3.15Å; C150-R213 PolarHBondContact N-O 2.94Å
151G96.4Very high95.4Very high0 Ų046.5 Ų46.50%022%0.217CC..SBendtrans75.7-166.2-176.900000112.9C215G151-C215 VanDerWaalsContact O-CB 3.27Å; G151-C215 WeakPolarHBondContact O-CB 3.38Å; G151-C215 PolarHBondContact O-N 3.07Å; G151-C215 PolarHBondContact O-SG 3.48Å
152G95.3Very high95.3Very high0 Ų049.6 Ų49.60%024%0.236CC..SBendtrans-89.3-65.1174.900000110.8N120 D157 G214 C215 S216N120-G152 VanDerWaalsContact OD1-C 3.27Å; N120-G152 PolarHBondContact OD1-O 3.45Å; G152-D157 WeakPolarHBondContact CA-OD2 3.21Å; G152-D157 PolarHBondContact N-OD2 3.46Å; G152-G214 CarbonylContact O-C 3.35Å; G152-G214 WeakPolarHBondContact O-CA 3.48Å; G152-C215 PolarHBondContact O-N 2.97Å; G152-S216 PolarHBondContact O-N 3.41Å; G152-S216 PolarHBondContact O-OG 2.76Å
153E95.3Very high95.3Very high99 Ų9948.9 Ų48.946%0.46323%0.231SC..SBendtrans-98.2-38.8178.6-167.6175.4167.900111.7N120 D157 G214N120-E153 HydrophobicContact CB-CB 4.22Å; E153-D157 PolarHBondContact N-OD2 3.47Å; E153-G214 VanDerWaalsContact C-CA 3.46Å; E153-G214 WeakPolarHBondContact O-CA 3.24Å; E153-G214 PolarHBondContact O-N 2.96Å
154D95.5Very high95.3Very high43 Ų4347.1 Ų47.123%0.2322%0.22CC..BIsolated β-bridgetrans-151.3160.4-179.5-168.6-90.4000111.2C150 K156 D157 R203C150-D154 CarbonylContact O-C 3.29Å; D154-K156 PolarHBondContact O-N 3.48Å; D154-K156 VanDerWaalsContact O-N 3.15Å; D154-K156 WeakPolarHBondContact OD1-CG 3.25Å; D154-K156 PolarHBondContact OD1-N 3.32Å; D154-D157 PolarHBondContact N-OD2 2.9Å; D154-D157 VanDerWaalsContact O-CB 3.3Å; D154-D157 WeakPolarHBondContact O-CB 3.31Å; D154-D157 VanDerWaalsContact O-CG 3.25Å; D154-D157 PolarHBondContact O-N 2.91Å; D154-D157 VanDerWaalsContact O-OD2 3.12Å; D154-R203 IonicContact OD2-NH1 2.83Å; D154-R203 PolarHBondContact OD2-NH1 3.49Å
155F95.8Very high95.2Very high3 Ų350.9 Ų50.91%0.01324%0.236CC..G310 helixtrans-61.3-22.6176.976.1-80.5000112.6C150 D157 W158 L199 A206 I210 V212C150-F155 HydrophobicContact CB-CB 4.03Å; C150-F155 PolarHBondContact O-N 2.92Å; F155-D157 PolarHBondContact O-N 3.02Å; F155-W158 VanDerWaalsContact O-CD1 3.26Å; F155-W158 PolarHBondContact O-N 2.87Å; F155-L199 HydrophobicContact CD2-CD2 3.87Å; F155-L199 HydrophobicContact CE2-CD2 4.12Å; F155-A206 HydrophobicContact CE2-CB 4.48Å; F155-A206 HydrophobicContact CZ-CB 4.35Å; F155-I210 HydrophobicContact CB-CD1 4Å; F155-I210 HydrophobicContact CD2-CD1 3.92Å; F155-I210 HydrophobicContact CG-CD1 4.05Å; F155-V212 HydrophobicContact CD1-CB 3.88Å; F155-V212 HydrophobicContact CD1-CG1 4.11Å; F155-V212 HydrophobicContact CE1-CB 4.36Å; F155-V212 HydrophobicContact CE1-CG1 4.35Å
156K96.3Very high95.2Very high101 Ų10148.4 Ų48.444%0.43923%0.231SC..G310 helixtrans-68.7-10.9173.9-68-170173.8-161.90114.7D154 W158 E159D154-K156 PolarHBondContact O-N 3.48Å; D154-K156 VanDerWaalsContact O-N 3.15Å; D154-K156 WeakPolarHBondContact OD1-CG 3.25Å; D154-K156 PolarHBondContact OD1-N 3.32Å; K156-W158 PolarHBondContact O-N 2.93Å; K156-E159 WeakPolarHBondContact O-CB 3.33Å; K156-E159 WeakPolarHBondContact O-CG 3.41Å; K156-E159 PolarHBondContact O-N 3.46Å
157D96.3Very high95.1Very high19 Ų1947.4 Ų47.410%0.10224%0.241CC..G310 helixtrans-57.8-21.7173.7-72-34000112.7I127 G152 E153 D154 F155 E159 V160I127-D157 HydrophobicContact CD1-CB 3.82Å; G152-D157 WeakPolarHBondContact CA-OD2 3.21Å; G152-D157 PolarHBondContact N-OD2 3.46Å; E153-D157 PolarHBondContact N-OD2 3.47Å; D154-D157 PolarHBondContact N-OD2 2.9Å; D154-D157 VanDerWaalsContact O-CB 3.3Å; D154-D157 WeakPolarHBondContact O-CB 3.31Å; D154-D157 VanDerWaalsContact O-CG 3.25Å; D154-D157 PolarHBondContact O-N 2.91Å; D154-D157 VanDerWaalsContact O-OD2 3.12Å; F155-D157 PolarHBondContact O-N 3.02Å; D157-E159 PolarHBondContact O-N 2.87Å; D157-V160 VanDerWaalsContact O-CG2 3.29Å; D157-V160 WeakPolarHBondContact O-CG2 3.43Å
158W96.6Very high94.9Very high0 Ų046.5 Ų46.50%024%0.243CC..G310 helixtrans-68-14.6175.6-71.6101.3000114.6I127 Y130 L140 F155 K156 V160 N161 H164 V176 P177 L199I127-W158 HydrophobicContact CG1-CH2 4.43Å; I127-W158 HydrophobicContact CG1-CZ2 4.48Å; I127-W158 HydrophobicContact CG2-CD2 4.11Å; I127-W158 HydrophobicContact CG2-CE3 3.68Å; I127-W158 HydrophobicContact CG2-CH2 4.5Å; I127-W158 HydrophobicContact CG2-CZ3 3.92Å; Y130-W158 HydrophobicContact CD1-CH2 4.1Å; Y130-W158 AromaticContact CD1-CZ3 3.9Å; Y130-W158 HydrophobicContact CD1-CZ3 3.9Å; Y130-W158 AromaticContact CD2-CH2 3.61Å; Y130-W158 HydrophobicContact CD2-CH2 3.61Å; Y130-W158 HydrophobicContact CD2-CZ3 4.1Å; Y130-W158 HydrophobicContact CE1-CH2 4.15Å; Y130-W158 HydrophobicContact CE1-CZ3 4.24Å; Y130-W158 AromaticContact CE2-CH2 3.66Å; Y130-W158 HydrophobicContact CE2-CH2 3.66Å; Y130-W158 HydrophobicContact CE2-CZ3 4.42Å; Y130-W158 AromaticContact CG-CH2 3.82Å; Y130-W158 HydrophobicContact CG-CH2 3.82Å; Y130-W158 AromaticContact CG-CZ3 3.81Å; Y130-W158 HydrophobicContact CG-CZ3 3.81Å; Y130-W158 AromaticContact CZ-CH2 3.93Å; L140-W158 HydrophobicContact CD2-CH2 3.88Å; L140-W158 HydrophobicContact CD2-CZ2 3.78Å; F155-W158 VanDerWaalsContact O-CD1 3.26Å; F155-W158 PolarHBondContact O-N 2.87Å; K156-W158 PolarHBondContact O-N 2.93Å; W158-V160 PolarHBondContact O-N 3.46Å; W158-V160 VanDerWaalsContact O-N 3.16Å; W158-N161 HydrophobicContact CE3-CB 4.46Å; W158-N161 PolarHBondContact O-N 3.29Å; W158-N161 VanDerWaalsContact O-N 3.13Å; W158-H164 HydrophobicContact CB-CB 4.26Å; W158-H164 HydrophobicContact CE3-CB 4.41Å; W158-H164 AromaticContact CE3-CD2 3.41Å; W158-H164 VanDerWaalsContact CE3-CD2 3.41Å; W158-H164 AromaticContact CE3-CG 3.96Å; W158-H164 AromaticContact CE3-NE2 3.84Å; W158-H164 AromaticContact CZ3-CD2 3.7Å; W158-H164 AromaticContact CZ3-NE2 3.81Å; W158-V176 HydrophobicContact CB-CG1 4.07Å; W158-V176 HydrophobicContact CG-CB 4.24Å; W158-V176 HydrophobicContact CG-CG1 3.89Å; W158-P177 VanDerWaalsContact CD2-CD 3.45Å; W158-P177 HydrophobicContact CD2-CG 4.05Å; W158-P177 HydrophobicContact CE3-CG 3.91Å; W158-P177 HydrophobicContact CH2-CG 3.19Å; W158-P177 VanDerWaalsContact CZ2-CD 3.49Å; W158-P177 HydrophobicContact CZ2-CG 3.33Å; W158-P177 HydrophobicContact CZ3-CG 3.49Å; W158-P177 VanDerWaalsContact CZ3-CG 3.49Å; W158-L199 HydrophobicContact CB-CD1 4.4Å
159E95.3Very high94.5Very high90 Ų9052.6 Ų52.642%0.42126%0.261SS..G310 helixtrans-63.1-19.5177.3-70.6177.4-168.700113.5K156 D157 K165 L199K156-E159 WeakPolarHBondContact O-CB 3.33Å; K156-E159 WeakPolarHBondContact O-CG 3.41Å; K156-E159 PolarHBondContact O-N 3.46Å; D157-E159 PolarHBondContact O-N 2.87Å; E159-K165 WeakPolarHBondContact O-CB 3.49Å; E159-L199 HydrophobicContact CG-CD1 3.99Å; E159-L199 HydrophobicContact CG-CD2 4.42Å
160V94.4Very high94Very high34 Ų3454.4 Ų54.421%0.20628%0.28CS..G310 helixtrans-79.1-21.7177.6-53.80000113.2R124 I127 E128 D157 W158R124-V160 HydrophobicContact CG-CG1 3.97Å; R124-V160 HydrophobicContact CG-CG2 4.16Å; R124-V160 VanDerWaalsContact NE-CG1 3.33Å; I127-V160 HydrophobicContact CB-CG2 4.25Å; I127-V160 HydrophobicContact CG2-CG2 3.82Å; E128-V160 HydrophobicContact CB-CG2 4.46Å; E128-V160 HydrophobicContact CG-CB 3.79Å; E128-V160 HydrophobicContact CG-CG2 3.49Å; E128-V160 VanDerWaalsContact CG-CG2 3.49Å; D157-V160 VanDerWaalsContact O-CG2 3.29Å; D157-V160 WeakPolarHBondContact O-CG2 3.43Å; W158-V160 PolarHBondContact O-N 3.46Å; W158-V160 VanDerWaalsContact O-N 3.16Å
161N95Very high93.6Very high1 Ų159.4 Ų59.41%0.00531%0.312CS..SBendtrans-79.2135-176.4-178.3-83.8000110.8I127 E128 W158 Y163 H164 K165I127-N161 HydrophobicContact CG2-CB 4.03Å; I127-N161 PolarHBondContact O-ND2 3.28Å; E128-N161 PolarHBondContact O-ND2 2.95Å; W158-N161 HydrophobicContact CE3-CB 4.46Å; W158-N161 PolarHBondContact O-N 3.29Å; W158-N161 VanDerWaalsContact O-N 3.13Å; N161-Y163 PolarHBondContact O-N 3.38Å; N161-Y163 WeakPolarHBondContact OD1-CB 3.43Å; N161-Y163 PolarHBondContact OD1-N 3.16Å; N161-H164 HydrophobicContact CB-CB 4.25Å; N161-H164 PolarHBondContact O-N 3.32Å; N161-H164 PolarHBondContact OD1-CD2 3.08Å; N161-H164 PolarHBondContact OD1-N 3.42Å; N161-K165 WeakPolarHBondContact O-CB 3.33Å; N161-K165 PolarHBondContact O-N 3.35Å
162V93.5Very high93.4Very high79 Ų7962.7 Ų62.748%0.47933%0.329SS..THydrogen-bonded Turntrans-60.5-29.2-175.769.40000114.1
163Y93.1Very high93.3Very high115 Ų11563.1 Ų63.145%0.45133%0.333SS..THydrogen-bonded Turntrans-87-29-179.1-59.2-83.3000113Y131 N161 L172 A173Y131-Y163 AromaticContact CD2-CD2 3.29Å; Y131-Y163 HydrophobicContact CD2-CD2 3.29Å; Y131-Y163 AromaticContact CD2-CE2 3.72Å; Y131-Y163 HydrophobicContact CD2-CE2 3.72Å; Y131-Y163 AromaticContact CD2-CG 4Å; Y131-Y163 HydrophobicContact CD2-CG 4Å; Y131-Y163 AromaticContact CE2-CD2 3.76Å; Y131-Y163 HydrophobicContact CE2-CD2 3.76Å; Y131-Y163 HydrophobicContact CE2-CG 4.02Å; Y131-Y163 HydrophobicContact CG-CD2 4.14Å; Y131-Y163 HydrophobicContact CG-CE2 4.13Å; N161-Y163 PolarHBondContact O-N 3.38Å; N161-Y163 WeakPolarHBondContact OD1-CB 3.43Å; N161-Y163 PolarHBondContact OD1-N 3.16Å; Y163-L172 CarbonylContact O-C 3.32Å; Y163-L172 VanDerWaalsContact O-C 3.32Å; Y163-A173 WeakPolarHBondContact O-CA 3.33Å; Y163-A173 PolarHBondContact O-N 3.41Å
164H95.5Very high93.3Very high0 Ų058.6 Ų58.60%031%0.312CS..THydrogen-bonded Turntrans-100.1-21.3-173.9-70.4-71.9000113.9Y131 W158 N161 C174 G175 L199Y131-H164 AromaticContact CE2-NE2 3.73Å; Y131-H164 AromaticContact CZ-NE2 3.93Å; Y131-H164 PolarHBondContact OH-NE2 3.13Å; W158-H164 HydrophobicContact CB-CB 4.26Å; W158-H164 HydrophobicContact CE3-CB 4.41Å; W158-H164 AromaticContact CE3-CD2 3.41Å; W158-H164 VanDerWaalsContact CE3-CD2 3.41Å; W158-H164 AromaticContact CE3-CG 3.96Å; W158-H164 AromaticContact CE3-NE2 3.84Å; W158-H164 AromaticContact CZ3-CD2 3.7Å; W158-H164 AromaticContact CZ3-NE2 3.81Å; N161-H164 HydrophobicContact CB-CB 4.25Å; N161-H164 PolarHBondContact O-N 3.32Å; N161-H164 PolarHBondContact OD1-CD2 3.08Å; N161-H164 PolarHBondContact OD1-N 3.42Å; H164-C174 VanDerWaalsContact O-CA 3.25Å; H164-C174 WeakPolarHBondContact O-CA 3.27Å; H164-C174 PolarHBondContact O-N 3.44Å; H164-G175 WeakPolarHBondContact CB-O 3.44Å; H164-G175 PolarHBondContact ND1-O 3.5Å; H164-G175 PolarHBondContact O-N 3.18Å; H164-L199 WeakPolarHBondContact O-CD1 3.28Å
165K95.1Very high93.3Very high79 Ų7956.7 Ų56.734%0.34330%0.302SS..SBendtrans-56.6142.8176.270.5-174.8-179.91790112.3E159 N161 S167 G168 C174E159-K165 WeakPolarHBondContact O-CB 3.49Å; N161-K165 WeakPolarHBondContact O-CB 3.33Å; N161-K165 PolarHBondContact O-N 3.35Å; K165-S167 PolarHBondContact O-N 2.86Å; K165-G168 PolarHBondContact O-N 2.81Å; K165-C174 PolarHBondContact O-N 3.5Å
166C93.9Very high93.3Very high51 Ų5156.8 Ų56.835%0.34530%0.303SS..THydrogen-bonded Turntrans-65.2-22.1-177.3-60.60000114G168 C174C166-G168 PolarHBondContact O-N 3.44Å; C166-C174 HydrophobicContact CB-CB 3.63Å; C166-C174 WeakPolarHBondContact CB-SG 3.27Å; C166-C174 WeakPolarHBondContact SG-CA 3.07Å; C166-C174 WeakPolarHBondContact SG-CB 3.3Å; C166-C174 CovalentContact SG-SG 2.06Å; C166-C174 PolarHBondContact SG-SG 3.38Å
167S92.4Very high93.3Very high112 Ų11252.2 Ų52.278%0.78328%0.284SS*.THydrogen-bonded Turntrans-75.8-5.3172.7-46.20000113.8K165K165-S167 PolarHBondContact O-N 2.86Å
168G88.4Confident93.1Very high22 Ų2255.1 Ų55.123%0.22729%0.294CS..  trans-69.6157.7174.500000112K165 C166 A173K165-G168 PolarHBondContact O-N 2.81Å; C166-G168 PolarHBondContact O-N 3.44Å; G168-A173 WeakPolarHBondContact O-CB 3.37Å
169R86Confident93Very high256 Ų25655.2 Ų55.297%0.96630%0.295SS*.  trans-108.73.6175.4-61.6-173.3-178.3121.6-0.6113.3
170G87.6Confident93Very high39 Ų3951 Ų5140%0.40228%0.275SS..SBendtrans-81.4165.8-178.200000112.7L172 A173G170-L172 PolarHBondContact O-N 3.43Å; G170-L172 VanDerWaalsContact O-N 3.12Å; G170-A173 WeakPolarHBondContact O-CB 3.26Å; G170-A173 PolarHBondContact O-N 3.27Å
171P87.9Confident93Very high105 Ų10549.6 Ų49.668%0.68227%0.267SS*.THydrogen-bonded Turntrans-66.7-11.2178.429-36.4000113.8H196P171-H196 PolarHBondContact O-CD2 2.8Å; P171-H196 VanDerWaalsContact O-CD2 3.27Å
172L91.8Very high92.8Very high69 Ų6952.6 Ų52.636%0.36128%0.282SS..THydrogen-bonded Turntrans-97.7-2.4175.9-64.7165.5000112.3Y131 Y163 G170 G175Y131-L172 WeakPolarHBondContact OH-CD1 3.44Å; Y163-L172 CarbonylContact O-C 3.32Å; Y163-L172 VanDerWaalsContact O-C 3.32Å; G170-L172 PolarHBondContact O-N 3.43Å; G170-L172 VanDerWaalsContact O-N 3.12Å; L172-G175 PolarHBondContact O-N 3.44Å
173A94.3Very high92.2Very high9 Ų953.1 Ų53.17%0.07428%0.281CS..THydrogen-bonded Turntrans-63.6143.5-174.700000111.4Y163 G168 G170 G175Y163-A173 WeakPolarHBondContact O-CA 3.33Å; Y163-A173 PolarHBondContact O-N 3.41Å; G168-A173 WeakPolarHBondContact O-CB 3.37Å; G170-A173 WeakPolarHBondContact O-CB 3.26Å; G170-A173 PolarHBondContact O-N 3.27Å; A173-G175 PolarHBondContact O-N 3.05Å
174C95.4Very high91.2Very high4 Ų453 Ų533%0.02729%0.292CS..THydrogen-bonded Turntrans58.628.5-176.2-1470000114.1H164 K165 C166 H197 I198 L199 N200H164-C174 VanDerWaalsContact O-CA 3.25Å; H164-C174 WeakPolarHBondContact O-CA 3.27Å; H164-C174 PolarHBondContact O-N 3.44Å; K165-C174 PolarHBondContact O-N 3.5Å; C166-C174 HydrophobicContact CB-CB 3.63Å; C166-C174 WeakPolarHBondContact CB-SG 3.27Å; C166-C174 WeakPolarHBondContact SG-CA 3.07Å; C166-C174 WeakPolarHBondContact SG-CB 3.3Å; C166-C174 CovalentContact SG-SG 2.06Å; C166-C174 PolarHBondContact SG-SG 3.38Å; C174-H197 CarbonylContact O-C 3.54Å; C174-H197 WeakPolarHBondContact O-CA 3.3Å; C174-H197 PolarHBondContact O-N 2.83Å; C174-I198 PolarHBondContact O-N 2.94Å; C174-I198 VanDerWaalsContact O-N 3.15Å; C174-L199 PolarHBondContact O-N 3.24Å; C174-L199 VanDerWaalsContact O-N 3.13Å; C174-N200 PolarHBondContact SG-ND2 2.84Å; C174-N200 VanDerWaalsContact SG-ND2 3.37Å; C174-N200 PolarHBondContact SG-OD1 3.37Å; C174-N200 VanDerWaalsContact SG-OD1 3.32Å
175G95.4Very high90.1Very high2 Ų259 Ų592%0.02132%0.32CS..  trans-129-176.4-176.600000114.3H164 L172 A173 G195 L199H164-G175 WeakPolarHBondContact CB-O 3.44Å; H164-G175 PolarHBondContact ND1-O 3.5Å; H164-G175 PolarHBondContact O-N 3.18Å; L172-G175 PolarHBondContact O-N 3.44Å; A173-G175 PolarHBondContact O-N 3.05Å; G175-G195 CarbonylContact C-O 3.56Å; G175-G195 WeakPolarHBondContact CA-O 3.23Å; G175-L199 WeakPolarHBondContact O-CD1 3.32Å
176V96.4Very high88.6Confident6 Ų661.6 Ų61.64%0.03635%0.345CS..  trans-126.2158.9172-57.10000109.3W158 C180 G195 I198 L199 I210W158-V176 HydrophobicContact CB-CG1 4.07Å; W158-V176 HydrophobicContact CG-CB 4.24Å; W158-V176 HydrophobicContact CG-CG1 3.89Å; V176-C180 HydrophobicContact CB-CB 4.34Å; V176-C180 HydrophobicContact CG2-CB 3.65Å; V176-G195 PolarHBondContact N-O 2.95Å; V176-G195 VanDerWaalsContact N-O 3.14Å; V176-I198 HydrophobicContact CB-CG2 4.35Å; V176-I198 HydrophobicContact CG1-CG2 3.8Å; V176-I198 HydrophobicContact CG2-CG2 3.85Å; V176-L199 HydrophobicContact CG1-CD2 4.02Å; V176-L199 HydrophobicContact CG1-CG 4.43Å; V176-I210 HydrophobicContact CG2-CD1 4.12Å; V176-I210 HydrophobicContact CG2-CG2 4.2Å
177P95.1Very high87.4Confident5 Ų566.7 Ų66.73%0.03237%0.368CS..  trans-63.1154.4176-13.223.8000112.2Y130 W158 T179 C180Y130-P177 HydrophobicContact CE1-CG 4.34Å; W158-P177 VanDerWaalsContact CD2-CD 3.45Å; W158-P177 HydrophobicContact CD2-CG 4.05Å; W158-P177 HydrophobicContact CE3-CG 3.91Å; W158-P177 HydrophobicContact CH2-CG 3.19Å; W158-P177 VanDerWaalsContact CZ2-CD 3.49Å; W158-P177 HydrophobicContact CZ2-CG 3.33Å; W158-P177 HydrophobicContact CZ3-CG 3.49Å; W158-P177 VanDerWaalsContact CZ3-CG 3.49Å; P177-T179 PolarHBondContact O-N 3.31Å; P177-C180 WeakPolarHBondContact O-CB 3Å; P177-C180 PolarHBondContact O-N 3.34Å
178Y92.4Very high86.5Confident79 Ų7966.4 Ų66.431%0.3136%0.355SS..G310 helixtrans-57.8-19.7178.977.2-85.3000114K145 C180 C181 V190K145-Y178 PolarHBondContact NZ-OH 2.85Å; Y178-C180 PolarHBondContact O-N 3.41Å; Y178-C181 WeakPolarHBondContact O-CB 3.46Å; Y178-C181 PolarHBondContact O-N 3.49Å; Y178-C181 VanDerWaalsContact O-N 3.12Å; Y178-V190 HydrophobicContact CD2-CG1 3.92Å
179T94.1Very high85.8Confident3 Ų372 Ų722%0.01838%0.384CS..G310 helixtrans-64.9-20.4175.956.80000113.2D141 Q144 K145 P177 C181D141-T179 HydrophobicContact CB-CG2 3.74Å; D141-T179 VanDerWaalsContact CG-CG2 3.42Å; D141-T179 WeakPolarHBondContact OD1-CG2 3.31Å; Q144-T179 PolarHBondContact OE1-OG1 3.5Å; K145-T179 HydrophobicContact CD-CG2 4.4Å; K145-T179 VanDerWaalsContact CE-CG2 3.4Å; K145-T179 HydrophobicContact CG-CG2 4.36Å; P177-T179 PolarHBondContact O-N 3.31Å; T179-C181 VanDerWaalsContact C-N 3.33Å
180C95.5Very high85.1Confident0 Ų062.3 Ų62.30%035%0.354CS..G310 helixtrans-80.4-11.3173.7-66.10000113.9Q144 C150 V176 P177 Y178 I210 H211Q144-C180 PolarHBondContact NE2-SG 2.93Å; C150-C180 VanDerWaalsContact CA-SG 3.6Å; C150-C180 HydrophobicContact CB-CB 3.58Å; C150-C180 WeakPolarHBondContact CB-SG 3.25Å; C150-C180 WeakPolarHBondContact SG-CB 3.44Å; C150-C180 CovalentContact SG-SG 2.04Å; C150-C180 PolarHBondContact SG-SG 3.48Å; V176-C180 HydrophobicContact CB-CB 4.34Å; V176-C180 HydrophobicContact CG2-CB 3.65Å; P177-C180 WeakPolarHBondContact O-CB 3Å; P177-C180 PolarHBondContact O-N 3.34Å; Y178-C180 PolarHBondContact O-N 3.41Å; C180-I210 HydrophobicContact CB-CB 4.44Å; C180-I210 CarbonylContact O-C 3.44Å; C180-I210 WeakPolarHBondContact O-CA 2.87Å; C180-I210 WeakPolarHBondContact O-CB 3.36Å; C180-H211 PolarHBondContact O-CD2 3.17Å; C180-H211 PolarHBondContact O-N 3.16Å
181C93.6Very high84.8Confident6 Ų665.3 Ų65.34%0.04136%0.36CS..BIsolated β-bridgetrans-83.7145.8-167.1-62.10000113.3Y178 T179 M183 C194Y178-C181 WeakPolarHBondContact O-CB 3.46Å; Y178-C181 PolarHBondContact O-N 3.49Å; Y178-C181 VanDerWaalsContact O-N 3.12Å; T179-C181 VanDerWaalsContact C-N 3.33Å; C181-M183 PolarHBondContact O-N 2.87Å; C181-C194 HydrophobicContact CB-CB 3.67Å; C181-C194 WeakPolarHBondContact CB-SG 3.36Å; C181-C194 WeakPolarHBondContact SG-CB 3.45Å; C181-C194 CovalentContact SG-SG 1.97Å; C181-C194 PolarHBondContact SG-SG 2.74Å
182I91.6Very high84.6Confident63 Ų6364.8 Ų64.832%0.32336%0.355SS..  trans-74.7125.5177.9-59.2171.4000108.1M207 V209I182-M207 WeakPolarHBondContact CD1-O 3.46Å; I182-V209 PolarHBondContact N-O 2.93Å
183M81.4Confident84.4Confident91 Ų9166.6 Ų66.645%0.44837%0.365SS..  trans-90.4114.7171.5-55.7-56.6167.500108.9C181 V190C181-M183 PolarHBondContact O-N 2.87Å; M183-V190 HydrophobicContact CE-CB 4.06Å; M183-V190 HydrophobicContact CE-CG1 3.3Å; M183-V190 HydrophobicContact CE-CG2 3.67Å; M183-V190 HydrophobicContact SD-CB 4.19Å; M183-V190 HydrophobicContact SD-CG1 3.9Å; M183-V190 HydrophobicContact SD-CG2 3.7Å
184T72.2Confident84.2Confident113 Ų11367 Ų6769%0.69337%0.367SS*.SBendtrans-73.7-33179.929.50000112.9E188T184-E188 PolarHBondContact OG1-OE2 2.78Å
185Q71.2Confident84Confident126 Ų12666.9 Ų66.959%0.58937%0.367SS*.SBendtrans-140.1146.9177.6-57.3-170.815.700112.4N187 E188Q185-N187 VanDerWaalsContact C-N 3.25Å; Q185-N187 PolarHBondContact O-N 3.29Å; Q185-E188 HydrophobicContact CB-CB 4.03Å; Q185-E188 PolarHBondContact O-N 3.47Å
186P64.8Low83.9Confident132 Ų13270.8 Ų70.886%0.85738%0.384SS*.THydrogen-bonded Turntrans-67.7-16.8-176.123.6-31.9000115.2
187N67.4Low83.7Confident158 Ų15874.9 Ų74.985%0.84540%0.403SS*.THydrogen-bonded Turntrans-117.211.5-178.6-68.5-15.1000113.5Q185Q185-N187 VanDerWaalsContact C-N 3.25Å; Q185-N187 PolarHBondContact O-N 3.29Å
188E74.1Confident83.6Confident106 Ų10675.1 Ų75.150%0.49540%0.404SS..SBendtrans-85.2143-179.8-171.5168.8-164.400110.5T184 Q185 V190T184-E188 PolarHBondContact OG1-OE2 2.78Å; Q185-E188 HydrophobicContact CB-CB 4.03Å; Q185-E188 PolarHBondContact O-N 3.47Å; E188-V190 PolarHBondContact O-N 3.26Å
189V74.2Confident83.7Confident139 Ų13971.7 Ų71.784%0.84239%0.39SS*.PPolyproline II helixtrans-64119.8175.8179.20000107.8N191V189-N191 PolarHBondContact O-N 3.12Å
190V71.6Confident83.7Confident54 Ų5477.3 Ų77.333%0.32742%0.42SS..PPolyproline II helixtrans-56.5117.2178.5177.40000109.3Y178 M183 E188 T192Y178-V190 HydrophobicContact CD2-CG1 3.92Å; M183-V190 HydrophobicContact CE-CB 4.06Å; M183-V190 HydrophobicContact CE-CG1 3.3Å; M183-V190 HydrophobicContact CE-CG2 3.67Å; M183-V190 HydrophobicContact SD-CB 4.19Å; M183-V190 HydrophobicContact SD-CG1 3.9Å; M183-V190 HydrophobicContact SD-CG2 3.7Å; E188-V190 PolarHBondContact O-N 3.26Å; V190-T192 PolarHBondContact O-N 3.44Å
191N81Confident83.5Confident101 Ų10181.7 Ų81.754%0.5444%0.441SS..  trans-66.8100.7171.6178.8-0.9000108.4V189 L193 C194V189-N191 PolarHBondContact O-N 3.12Å; N191-L193 PolarHBondContact O-N 2.86Å; N191-L193 VanDerWaalsContact O-N 3.14Å; N191-L193 WeakPolarHBondContact OD1-CA 3.39Å; N191-L193 PolarHBondContact OD1-N 3.41Å; N191-C194 HydrophobicContact CB-CB 4.31Å; N191-C194 WeakPolarHBondContact O-CB 3.5Å; N191-C194 PolarHBondContact O-N 3.42Å; N191-C194 PolarHBondContact O-SG 2.82Å; N191-C194 PolarHBondContact OD1-N 3.2Å
192T83.8Confident83.6Confident95 Ų9584.7 Ų84.758%0.58346%0.459SS*.THydrogen-bonded Turntrans-69-10-178.453.10000113.7V190V190-T192 PolarHBondContact O-N 3.44Å
193L86.2Confident83.7Confident107 Ų10786.8 Ų86.856%0.5646%0.463SS*.THydrogen-bonded Turntrans-107.35-179.9-77.7136.9000113.4N191 G195 H196N191-L193 PolarHBondContact O-N 2.86Å; N191-L193 VanDerWaalsContact O-N 3.14Å; N191-L193 WeakPolarHBondContact OD1-CA 3.39Å; N191-L193 PolarHBondContact OD1-N 3.41Å; L193-G195 PolarHBondContact O-N 3.28Å; L193-G195 VanDerWaalsContact O-N 3.12Å; L193-H196 WeakPolarHBondContact O-CB 3.29Å; L193-H196 PolarHBondContact O-N 3.28Å
194C90.8Very high84.3Confident17 Ų1789.6 Ų89.612%0.11548%0.475CS..THydrogen-bonded Turntrans-50.4-34.117650.40000114.4C181 N191 H196 V209C181-C194 HydrophobicContact CB-CB 3.67Å; C181-C194 WeakPolarHBondContact CB-SG 3.36Å; C181-C194 WeakPolarHBondContact SG-CB 3.45Å; C181-C194 CovalentContact SG-SG 1.97Å; C181-C194 PolarHBondContact SG-SG 2.74Å; N191-C194 HydrophobicContact CB-CB 4.31Å; N191-C194 WeakPolarHBondContact O-CB 3.5Å; N191-C194 PolarHBondContact O-N 3.42Å; N191-C194 PolarHBondContact O-SG 2.82Å; N191-C194 PolarHBondContact OD1-N 3.2Å; C194-H196 VanDerWaalsContact C-N 3.3Å; C194-H196 PolarHBondContact O-N 3.45Å; C194-V209 HydrophobicContact CB-CG1 4.19Å; C194-V209 WeakPolarHBondContact O-CG1 3.29Å
195G90.9Very high85.3Confident2 Ų287.1 Ų87.12%0.02146%0.457CS..THydrogen-bonded Turntrans-83.81.8-178.600000114.5G175 V176 L193 I198G175-G195 CarbonylContact C-O 3.56Å; G175-G195 WeakPolarHBondContact CA-O 3.23Å; V176-G195 PolarHBondContact N-O 2.95Å; V176-G195 VanDerWaalsContact N-O 3.14Å; L193-G195 PolarHBondContact O-N 3.28Å; L193-G195 VanDerWaalsContact O-N 3.12Å; G195-I198 WeakPolarHBondContact O-CG2 3.39Å; G195-I198 PolarHBondContact O-N 3.33Å
196H92.8Very high86.4Confident83 Ų8381.1 Ų81.138%0.38443%0.429SS..THydrogen-bonded Turntrans-66.9133.7-175.8-175.2-107.3000111.9P171 L193 C194 I198P171-H196 PolarHBondContact O-CD2 2.8Å; P171-H196 VanDerWaalsContact O-CD2 3.27Å; L193-H196 WeakPolarHBondContact O-CB 3.29Å; L193-H196 PolarHBondContact O-N 3.28Å; C194-H196 VanDerWaalsContact C-N 3.3Å; C194-H196 PolarHBondContact O-N 3.45Å; H196-I198 PolarHBondContact O-N 2.87Å
197H92.6Very high87.8Confident93 Ų9379 Ų7943%0.43141%0.409SS..THydrogen-bonded Turntrans58.55.2-177.1-66.3-41.7000117.2C174 L199 N200C174-H197 CarbonylContact O-C 3.54Å; C174-H197 WeakPolarHBondContact O-CA 3.3Å; C174-H197 PolarHBondContact O-N 2.83Å; H197-L199 PolarHBondContact O-N 3.25Å; H197-L199 VanDerWaalsContact O-N 3.12Å; H197-N200 PolarHBondContact O-N 3.04Å
198I94Very high89Confident10 Ų1078.8 Ų78.85%0.05140%0.401CS..G310 helixtrans-64.9-22.1-173.7-15163.3000113.7C174 V176 G195 H196 N200 E201 A206 V209 I210C174-I198 PolarHBondContact O-N 2.94Å; C174-I198 VanDerWaalsContact O-N 3.15Å; V176-I198 HydrophobicContact CB-CG2 4.35Å; V176-I198 HydrophobicContact CG1-CG2 3.8Å; V176-I198 HydrophobicContact CG2-CG2 3.85Å; G195-I198 WeakPolarHBondContact O-CG2 3.39Å; G195-I198 PolarHBondContact O-N 3.33Å; H196-I198 PolarHBondContact O-N 2.87Å; I198-N200 VanDerWaalsContact C-N 3.26Å; I198-N200 PolarHBondContact O-N 3.46Å; I198-E201 HydrophobicContact CD1-CB 4.33Å; I198-E201 HydrophobicContact CD1-CG 4.2Å; I198-E201 PolarHBondContact O-N 3.07Å; I198-A206 HydrophobicContact CD1-CB 4.05Å; I198-A206 HydrophobicContact CG1-CB 3.87Å; I198-V209 HydrophobicContact CD1-CB 4.41Å; I198-I210 HydrophobicContact CG1-CD1 3.79Å; I198-I210 HydrophobicContact CG1-CG1 4Å; I198-I210 HydrophobicContact CG1-CG2 4.35Å; I198-I210 HydrophobicContact CG2-CD1 3.97Å
199L94.6Very high89.9Confident6 Ų676.6 Ų76.63%0.03140%0.395CS..G310 helixtrans-69.8-23.2179.8-68.2178.5000112.9F155 W158 E159 H164 C174 G175 V176 H197F155-L199 HydrophobicContact CD2-CD2 3.87Å; F155-L199 HydrophobicContact CE2-CD2 4.12Å; W158-L199 HydrophobicContact CB-CD1 4.4Å; E159-L199 HydrophobicContact CG-CD1 3.99Å; E159-L199 HydrophobicContact CG-CD2 4.42Å; H164-L199 WeakPolarHBondContact O-CD1 3.28Å; C174-L199 PolarHBondContact O-N 3.24Å; C174-L199 VanDerWaalsContact O-N 3.13Å; G175-L199 WeakPolarHBondContact O-CD1 3.32Å; V176-L199 HydrophobicContact CG1-CD2 4.02Å; V176-L199 HydrophobicContact CG1-CG 4.43Å; H197-L199 PolarHBondContact O-N 3.25Å; H197-L199 VanDerWaalsContact O-N 3.12Å
200N92.8Very high90.9Very high122 Ų12270 Ų7065%0.65236%0.355SS*.G310 helixtrans-85.3-16.2174-83.5-13.1000113.2C174 H197 I198C174-N200 PolarHBondContact SG-ND2 2.84Å; C174-N200 VanDerWaalsContact SG-ND2 3.37Å; C174-N200 PolarHBondContact SG-OD1 3.37Å; C174-N200 VanDerWaalsContact SG-OD1 3.32Å; H197-N200 PolarHBondContact O-N 3.04Å; I198-N200 VanDerWaalsContact C-N 3.26Å; I198-N200 PolarHBondContact O-N 3.46Å
201E93Very high92Very high92 Ų9269.3 Ų69.343%0.4335%0.348SS..SBendtrans-76.5158.3-175.6-65.5-61.4160.900112I198I198-E201 HydrophobicContact CD1-CB 4.33Å; I198-E201 HydrophobicContact CD1-CG 4.2Å; I198-E201 PolarHBondContact O-N 3.07Å
202T94.1Very high92.7Very high69 Ų6964.9 Ų64.942%0.42332%0.324SS..  trans-67152.1171.979.20000109.9Q204 D205 A206T202-Q204 PolarHBondContact O-N 2.96Å; T202-Q204 VanDerWaalsContact O-N 3.15Å; T202-D205 PolarHBondContact O-N 3.46Å; T202-D205 VanDerWaalsContact O-N 3.1Å; T202-D205 PolarHBondContact OG1-N 3.15Å; T202-D205 PolarHBondContact OG1-OD2 2.98Å; T202-A206 WeakPolarHBondContact O-CB 3.27Å; T202-A206 PolarHBondContact O-N 2.04Å
203R93.8Very high93.2Very high106 Ų10666.2 Ų66.240%0.432%0.318SS..Hα-helixtrans-55.9-33.7176.1-177174.6173.277.67112.2D154 M207 V212D154-R203 IonicContact OD2-NH1 2.83Å; D154-R203 PolarHBondContact OD2-NH1 3.49Å; R203-M207 HydrophobicContact CG-CE 3.94Å; R203-M207 WeakPolarHBondContact O-CB 3.35Å; R203-M207 WeakPolarHBondContact O-CG 3.04Å; R203-M207 PolarHBondContact O-N 3.4Å; R203-V212 HydrophobicContact CG-CG2 4.44Å; R203-V212 PolarHBondContact NH1-O 3.45Å
204Q93.7Very high93.7Very high150 Ų15061.2 Ų61.270%0.70129%0.293SS*.Hα-helixtrans-68.7-37.3179.7-68.5174.1-28.300112.3T202T202-Q204 PolarHBondContact O-N 2.96Å; T202-Q204 VanDerWaalsContact O-N 3.15Å
205D93.8Very high94Very high61 Ų6160.6 Ų60.633%0.32629%0.289SS..Hα-helixtrans-78.7-39.2177-63.2-48.7000111.2T202 M207 K208T202-D205 PolarHBondContact O-N 3.46Å; T202-D205 VanDerWaalsContact O-N 3.1Å; T202-D205 PolarHBondContact OG1-N 3.15Å; T202-D205 PolarHBondContact OG1-OD2 2.98Å; D205-M207 VanDerWaalsContact C-N 3.3Å; D205-M207 PolarHBondContact O-N 3.03Å; D205-K208 WeakPolarHBondContact O-CB 3.37Å; D205-K208 PolarHBondContact O-N 3.43Å; D205-K208 VanDerWaalsContact O-N 3.11Å; D205-K208 IonicContact OD1-NZ 3.15Å; D205-K208 PolarHBondContact OD1-NZ 2.89Å
206A94.1Very high94.2Very high0 Ų060.8 Ų60.80%029%0.29CS..Hα-helixtrans-59.8-37.8174.500000112.8F155 I198 T202 K208 V209 I210 V212F155-A206 HydrophobicContact CE2-CB 4.48Å; F155-A206 HydrophobicContact CZ-CB 4.35Å; I198-A206 HydrophobicContact CD1-CB 4.05Å; I198-A206 HydrophobicContact CG1-CB 3.87Å; T202-A206 WeakPolarHBondContact O-CB 3.27Å; T202-A206 PolarHBondContact O-N 2.04Å; A206-K208 PolarHBondContact O-N 3.46Å; A206-K208 VanDerWaalsContact O-N 3.09Å; A206-V209 PolarHBondContact O-N 3.47Å; A206-I210 HydrophobicContact CB-CD1 4.42Å; A206-I210 HydrophobicContact CB-CG1 4.21Å; A206-I210 VanDerWaalsContact O-CG1 3.28Å; A206-I210 WeakPolarHBondContact O-CG1 3.34Å; A206-I210 PolarHBondContact O-N 3.48Å; A206-V212 HydrophobicContact CB-CG1 3.64Å
207M93.8Very high94.2Very high89 Ų8960.5 Ų60.544%0.43829%0.289SS..THydrogen-bonded Turntrans-57.1-23.2176.1-83.8175176.800114.3I182 R203 D205 V209 V212I182-M207 WeakPolarHBondContact CD1-O 3.46Å; R203-M207 HydrophobicContact CG-CE 3.94Å; R203-M207 WeakPolarHBondContact O-CB 3.35Å; R203-M207 WeakPolarHBondContact O-CG 3.04Å; R203-M207 PolarHBondContact O-N 3.4Å; D205-M207 VanDerWaalsContact C-N 3.3Å; D205-M207 PolarHBondContact O-N 3.03Å; M207-V209 VanDerWaalsContact C-N 3.34Å; M207-V212 HydrophobicContact CB-CG2 4.49Å; M207-V212 HydrophobicContact CE-CG2 3.56Å; M207-V212 HydrophobicContact CG-CB 4.28Å; M207-V212 HydrophobicContact CG-CG1 3.98Å; M207-V212 HydrophobicContact CG-CG2 3.29Å; M207-V212 HydrophobicContact SD-CG2 4.29Å
208K92.6Very high94.3Very high153 Ų15356.6 Ų56.667%0.66527%0.272SS*.THydrogen-bonded Turntrans-79.3-19.5-179.9-60168.2-172159.50112.5D205 A206D205-K208 WeakPolarHBondContact O-CB 3.37Å; D205-K208 PolarHBondContact O-N 3.43Å; D205-K208 VanDerWaalsContact O-N 3.11Å; D205-K208 IonicContact OD1-NZ 3.15Å; D205-K208 PolarHBondContact OD1-NZ 2.89Å; A206-K208 PolarHBondContact O-N 3.46Å; A206-K208 VanDerWaalsContact O-N 3.09Å
209V93.1Very high94.2Very high60 Ų6059.9 Ų59.936%0.36429%0.286SS..THydrogen-bonded Turntrans-119.3-35.3-171-172.60000112I182 C194 I198 A206 M207I182-V209 PolarHBondContact N-O 2.93Å; C194-V209 HydrophobicContact CB-CG1 4.19Å; C194-V209 WeakPolarHBondContact O-CG1 3.29Å; I198-V209 HydrophobicContact CD1-CB 4.41Å; A206-V209 PolarHBondContact O-N 3.47Å; M207-V209 VanDerWaalsContact C-N 3.34Å
210I95.3Very high94Very high1 Ų160.1 Ų60.11%0.00529%0.288CS..BIsolated β-bridgetrans-130.6158.6-175.766.4160.8000112.6F155 V176 C180 I198 A206 V212F155-I210 HydrophobicContact CB-CD1 4Å; F155-I210 HydrophobicContact CD2-CD1 3.92Å; F155-I210 HydrophobicContact CG-CD1 4.05Å; V176-I210 HydrophobicContact CG2-CD1 4.12Å; V176-I210 HydrophobicContact CG2-CG2 4.2Å; C180-I210 HydrophobicContact CB-CB 4.44Å; C180-I210 CarbonylContact O-C 3.44Å; C180-I210 WeakPolarHBondContact O-CA 2.87Å; C180-I210 WeakPolarHBondContact O-CB 3.36Å; I198-I210 HydrophobicContact CG1-CD1 3.79Å; I198-I210 HydrophobicContact CG1-CG1 4Å; I198-I210 HydrophobicContact CG1-CG2 4.35Å; I198-I210 HydrophobicContact CG2-CD1 3.97Å; A206-I210 HydrophobicContact CB-CD1 4.42Å; A206-I210 HydrophobicContact CB-CG1 4.21Å; A206-I210 VanDerWaalsContact O-CG1 3.28Å; A206-I210 WeakPolarHBondContact O-CG1 3.34Å; A206-I210 PolarHBondContact O-N 3.48Å; I210-V212 HydrophobicContact CD1-CG1 4.17Å; I210-V212 HydrophobicContact CG1-CG1 3.85Å; I210-V212 PolarHBondContact O-N 2.96Å
211H95.6Very high94Very high39 Ų3957.9 Ų57.918%0.18127%0.273CS..  trans-75.985.1170-64.1-61.7000111.3Q148 C149 C150 C180 R213Q148-H211 VanDerWaalsContact C-CB 3.46Å; Q148-H211 VanDerWaalsContact C-CG 3.45Å; Q148-H211 VanDerWaalsContact O-CB 3.26Å; Q148-H211 WeakPolarHBondContact O-CB 3.37Å; C149-H211 CarbonylContact C-O 3.51Å; C150-H211 WeakPolarHBondContact CB-O 3.24Å; C150-H211 PolarHBondContact N-O 3.25Å; C150-H211 VanDerWaalsContact N-O 3.15Å; C180-H211 PolarHBondContact O-CD2 3.17Å; C180-H211 PolarHBondContact O-N 3.16Å; H211-R213 PolarHBondContact O-N 3.28Å
212V95.3Very high94Very high8 Ų857.2 Ų57.25%0.04827%0.267CS..  trans-67.6-4.6-176.1-590000115.9F155 R203 A206 M207 I210F155-V212 HydrophobicContact CD1-CB 3.88Å; F155-V212 HydrophobicContact CD1-CG1 4.11Å; F155-V212 HydrophobicContact CE1-CB 4.36Å; F155-V212 HydrophobicContact CE1-CG1 4.35Å; R203-V212 HydrophobicContact CG-CG2 4.44Å; R203-V212 PolarHBondContact NH1-O 3.45Å; A206-V212 HydrophobicContact CB-CG1 3.64Å; M207-V212 HydrophobicContact CB-CG2 4.49Å; M207-V212 HydrophobicContact CE-CG2 3.56Å; M207-V212 HydrophobicContact CG-CB 4.28Å; M207-V212 HydrophobicContact CG-CG1 3.98Å; M207-V212 HydrophobicContact CG-CG2 3.29Å; M207-V212 HydrophobicContact SD-CG2 4.29Å; I210-V212 HydrophobicContact CD1-CG1 4.17Å; I210-V212 HydrophobicContact CG1-CG1 3.85Å; I210-V212 PolarHBondContact O-N 2.96Å
213R95.4Very high93.8Very high122 Ų12256.5 Ų56.546%0.4626%0.259SS..BIsolated β-bridgetrans-81.5132.7-178.8-166.8179.7-151.9162.64.8109.1C149 C150 H211 H217C149-R213 CarbonylContact C-O 3.32Å; C149-R213 VanDerWaalsContact CA-O 3.3Å; C149-R213 WeakPolarHBondContact CA-O 3.45Å; C149-R213 VanDerWaalsContact CB-O 3.27Å; C149-R213 WeakPolarHBondContact CB-O 3.45Å; C150-R213 PolarHBondContact N-O 2.94Å; H211-R213 PolarHBondContact O-N 3.28Å; R213-H217 HydrophobicContact CG-CB 4.47Å
214G96.3Very high93.6Very high2 Ų256.8 Ų56.82%0.02127%0.265CS..  trans-58.4144.9171.400000112.9G152 E153 S216 H217 A218G152-G214 CarbonylContact O-C 3.35Å; G152-G214 WeakPolarHBondContact O-CA 3.48Å; E153-G214 VanDerWaalsContact C-CA 3.46Å; E153-G214 WeakPolarHBondContact O-CA 3.24Å; E153-G214 PolarHBondContact O-N 2.96Å; G214-S216 VanDerWaalsContact C-N 3.31Å; G214-S216 PolarHBondContact O-N 3.06Å; G214-H217 PolarHBondContact O-N 2.91Å; G214-A218 PolarHBondContact O-N 2.95Å
215C96.8Very high93.6Very high4 Ų454.7 Ų54.73%0.02726%0.259CS..Hα-helixtrans-67.8-28.4-178.8-69.70000113.9V143 C149 G151 G152 A218 F219V143-C215 HydrophobicContact CG1-CB 3.83Å; C149-C215 VanDerWaalsContact C-SG 3.58Å; C149-C215 HydrophobicContact CB-CB 3.89Å; C149-C215 WeakPolarHBondContact CB-SG 3.38Å; C149-C215 WeakPolarHBondContact SG-CA 3.4Å; C149-C215 WeakPolarHBondContact SG-CB 3.3Å; C149-C215 CovalentContact SG-SG 2.04Å; C149-C215 PolarHBondContact SG-SG 3.49Å; G151-C215 VanDerWaalsContact O-CB 3.27Å; G151-C215 WeakPolarHBondContact O-CB 3.38Å; G151-C215 PolarHBondContact O-N 3.07Å; G151-C215 PolarHBondContact O-SG 3.48Å; G152-C215 PolarHBondContact O-N 2.97Å; C215-A218 PolarHBondContact O-N 3.48Å; C215-F219 VanDerWaalsContact O-CB 3.25Å; C215-F219 WeakPolarHBondContact O-CB 3.45Å; C215-F219 PolarHBondContact O-N 3.43Å
216S94.3Very high93.6Very high6 Ų653.2 Ų53.24%0.04225%0.251CS..Hα-helixtrans-64.7-45.6175.460.30000111.6N120 G152 G214 F219 V220N120-S216 PolarHBondContact ND2-OG 3Å; N120-S216 WeakPolarHBondContact OD1-CB 3.25Å; N120-S216 PolarHBondContact OD1-OG 3.31Å; G152-S216 PolarHBondContact O-N 3.41Å; G152-S216 PolarHBondContact O-OG 2.76Å; G214-S216 VanDerWaalsContact C-N 3.31Å; G214-S216 PolarHBondContact O-N 3.06Å; S216-F219 PolarHBondContact O-N 2.98Å; S216-V220 WeakPolarHBondContact O-CG2 3.46Å; S216-V220 PolarHBondContact O-N 3.13Å; S216-V220 VanDerWaalsContact O-N 3.16Å
217H93.2Very high93.5Very high78 Ų7860.2 Ų60.236%0.36128%0.278SS..Hα-helixtrans-67.9-41.1175.2-73.4-72.4000112.7R213 G214 F219 V220 H221R213-H217 HydrophobicContact CG-CB 4.47Å; G214-H217 PolarHBondContact O-N 2.91Å; H217-F219 VanDerWaalsContact C-N 3.31Å; H217-F219 PolarHBondContact O-N 3.32Å; H217-V220 PolarHBondContact O-N 3.01Å; H217-H221 PolarHBondContact O-N 3.35Å; H217-H221 VanDerWaalsContact O-N 3.08Å
218A94.9Very high93.6Very high10 Ų1062.5 Ų62.58%0.08329%0.286CS..Hα-helixtrans-61-41.5176.200000111.6F147 C149 G214 C215 H221 W222F147-A218 HydrophobicContact CB-CB 4.31Å; C149-A218 HydrophobicContact CB-CB 3.71Å; G214-A218 PolarHBondContact O-N 2.95Å; C215-A218 PolarHBondContact O-N 3.48Å; A218-H221 PolarHBondContact O-N 2.91Å; A218-W222 WeakPolarHBondContact O-CB 3.28Å; A218-W222 PolarHBondContact O-N 3.03Å
219F92.3Very high93.6Very high80 Ų8061.2 Ų61.235%0.35128%0.28SS..Hα-helixtrans-62.3-43.4176.2177.9-107.4000112.3F147 C215 S216 H217 W222 M223F147-F219 AromaticContact CE1-CD2 3.9Å; F147-F219 HydrophobicContact CE1-CD2 3.9Å; F147-F219 HydrophobicContact CE2-CD2 4.28Å; F147-F219 AromaticContact CZ-CD2 3.71Å; F147-F219 HydrophobicContact CZ-CD2 3.71Å; F147-F219 HydrophobicContact CZ-CE2 4.17Å; C215-F219 VanDerWaalsContact O-CB 3.25Å; C215-F219 WeakPolarHBondContact O-CB 3.45Å; C215-F219 PolarHBondContact O-N 3.43Å; S216-F219 PolarHBondContact O-N 2.98Å; H217-F219 VanDerWaalsContact C-N 3.31Å; H217-F219 PolarHBondContact O-N 3.32Å; F219-W222 HydrophobicContact CD2-CE3 4.45Å; F219-W222 HydrophobicContact CE2-CE3 4.22Å; F219-W222 HydrophobicContact CE2-CZ3 4.36Å; F219-W222 WeakPolarHBondContact O-CB 3.45Å; F219-W222 PolarHBondContact O-N 2.51Å; F219-M223 HydrophobicContact CD1-CE 3.7Å; F219-M223 HydrophobicContact CD1-CG 4.38Å; F219-M223 HydrophobicContact CD1-SD 4.16Å; F219-M223 HydrophobicContact CE1-CE 3.43Å; F219-M223 VanDerWaalsContact CE1-CE 3.43Å; F219-M223 HydrophobicContact CE1-CG 3.93Å; F219-M223 HydrophobicContact CE1-SD 3.38Å; F219-M223 WeakPolarHBondContact CE1-SD 3.01Å; F219-M223 HydrophobicContact CE2-CG 4.25Å; F219-M223 HydrophobicContact CZ-CE 4.28Å; F219-M223 HydrophobicContact CZ-CG 3.85Å; F219-M223 HydrophobicContact CZ-SD 3.64Å; F219-M223 WeakPolarHBondContact O-CG 3.39Å; F219-M223 PolarHBondContact O-N 3.12Å
220V91.1Very high93.6Very high10 Ų1061.1 Ų61.16%0.06128%0.276CS..Hα-helixtrans-66.6-41.6178.5-175.70000112.2R112 L116 S216 H217 W222 M223 E224R112-V220 VanDerWaalsContact CZ-CG1 3.46Å; R112-V220 VanDerWaalsContact NH2-CB 3.3Å; L116-V220 HydrophobicContact CD1-CG2 4.41Å; L116-V220 HydrophobicContact CD2-CG2 3.94Å; S216-V220 WeakPolarHBondContact O-CG2 3.46Å; S216-V220 PolarHBondContact O-N 3.13Å; S216-V220 VanDerWaalsContact O-N 3.16Å; H217-V220 PolarHBondContact O-N 3.01Å; V220-W222 VanDerWaalsContact C-N 3.27Å; V220-W222 PolarHBondContact O-N 2.99Å; V220-M223 HydrophobicContact CB-CE 4.12Å; V220-M223 HydrophobicContact CG1-CE 4.11Å; V220-M223 HydrophobicContact CG2-CE 3.84Å; V220-M223 WeakPolarHBondContact O-CB 3.38Å; V220-M223 PolarHBondContact O-N 3.3Å; V220-M223 VanDerWaalsContact O-N 3.08Å; V220-E224 PolarHBondContact O-N 2.75Å
221H92.1Very high93.4Very high76 Ų7663.7 Ų63.735%0.35230%0.298SS..Hα-helixtrans-59.1-43.1174.4-167.6-83.5000111.3H217 A218 M223 E224 D225H217-H221 PolarHBondContact O-N 3.35Å; H217-H221 VanDerWaalsContact O-N 3.08Å; A218-H221 PolarHBondContact O-N 2.91Å; H221-M223 VanDerWaalsContact C-N 3.3Å; H221-M223 PolarHBondContact O-N 3.01Å; H221-E224 PolarHBondContact O-N 2.94Å; H221-D225 IonicContact CE1-OD1 4Å; H221-D225 IonicContact CE1-OD2 2.77Å; H221-D225 PolarHBondContact CE1-OD2 3.5Å; H221-D225 IonicContact ND1-OD2 2.91Å; H221-D225 PolarHBondContact ND1-OD2 2.99Å; H221-D225 VanDerWaalsContact O-CG 3.31Å; H221-D225 PolarHBondContact O-N 3.44Å
222W92.5Very high93.3Very high78 Ų7867.2 Ų67.230%0.29532%0.317SS..Hα-helixtrans-60.5-39.1175.1178.290.7000112.5F147 A218 F219 V220 D225 N226 M230F147-W222 HydrophobicContact CD1-CB 4Å; F147-W222 HydrophobicContact CD1-CD2 4.5Å; F147-W222 AromaticContact CD1-CG 3.97Å; F147-W222 HydrophobicContact CD1-CG 3.97Å; F147-W222 HydrophobicContact CE1-CB 3.99Å; F147-W222 AromaticContact CE1-CD2 3.68Å; F147-W222 HydrophobicContact CE1-CD2 3.68Å; F147-W222 HydrophobicContact CE1-CE3 4.06Å; F147-W222 AromaticContact CE1-CG 3.62Å; F147-W222 HydrophobicContact CE1-CG 3.62Å; A218-W222 WeakPolarHBondContact O-CB 3.28Å; A218-W222 PolarHBondContact O-N 3.03Å; F219-W222 HydrophobicContact CD2-CE3 4.45Å; F219-W222 HydrophobicContact CE2-CE3 4.22Å; F219-W222 HydrophobicContact CE2-CZ3 4.36Å; F219-W222 WeakPolarHBondContact O-CB 3.45Å; F219-W222 PolarHBondContact O-N 2.51Å; V220-W222 VanDerWaalsContact C-N 3.27Å; V220-W222 PolarHBondContact O-N 2.99Å; W222-D225 PolarHBondContact O-N 3.01Å; W222-N226 HydrophobicContact CD2-CB 4.37Å; W222-N226 HydrophobicContact CH2-CB 4.36Å; W222-N226 HydrophobicContact CZ2-CB 4.11Å; W222-N226 PolarHBondContact NE1-ND2 1.97Å; W222-N226 VanDerWaalsContact O-CB 3.24Å; W222-N226 WeakPolarHBondContact O-CB 3.03Å; W222-N226 PolarHBondContact O-N 2.5Å; W222-N226 PolarHBondContact O-ND2 3.36Å; W222-M230 HydrophobicContact CH2-SD 4.33Å; W222-M230 HydrophobicContact CZ3-CG 4.49Å; W222-M230 HydrophobicContact CZ3-SD 3.78Å
223M89.9Confident93.2Very high53 Ų5371.2 Ų71.226%0.26134%0.338SS..Hα-helixtrans-63.5-41.5175.7-74.1-167.2-68.200112F219 V220 H221 N226 Y227 M230F219-M223 HydrophobicContact CD1-CE 3.7Å; F219-M223 HydrophobicContact CD1-CG 4.38Å; F219-M223 HydrophobicContact CD1-SD 4.16Å; F219-M223 HydrophobicContact CE1-CE 3.43Å; F219-M223 VanDerWaalsContact CE1-CE 3.43Å; F219-M223 HydrophobicContact CE1-CG 3.93Å; F219-M223 HydrophobicContact CE1-SD 3.38Å; F219-M223 WeakPolarHBondContact CE1-SD 3.01Å; F219-M223 HydrophobicContact CE2-CG 4.25Å; F219-M223 HydrophobicContact CZ-CE 4.28Å; F219-M223 HydrophobicContact CZ-CG 3.85Å; F219-M223 HydrophobicContact CZ-SD 3.64Å; F219-M223 WeakPolarHBondContact O-CG 3.39Å; F219-M223 PolarHBondContact O-N 3.12Å; V220-M223 HydrophobicContact CB-CE 4.12Å; V220-M223 HydrophobicContact CG1-CE 4.11Å; V220-M223 HydrophobicContact CG2-CE 3.84Å; V220-M223 WeakPolarHBondContact O-CB 3.38Å; V220-M223 PolarHBondContact O-N 3.3Å; V220-M223 VanDerWaalsContact O-N 3.08Å; H221-M223 VanDerWaalsContact C-N 3.3Å; H221-M223 PolarHBondContact O-N 3.01Å; M223-N226 CarbonylContact O-C 3.59Å; M223-N226 VanDerWaalsContact O-C 3.29Å; M223-N226 PolarHBondContact O-N 2.82Å; M223-Y227 VanDerWaalsContact O-CA 3.31Å; M223-Y227 WeakPolarHBondContact O-CA 2.98Å; M223-Y227 PolarHBondContact O-N 2.83Å; M223-M230 HydrophobicContact CB-CG 4.35Å; M223-M230 HydrophobicContact CG-CE 4.34Å; M223-M230 HydrophobicContact CG-CG 4.22Å; M223-M230 HydrophobicContact CG-SD 4.27Å; M223-M230 HydrophobicContact SD-CE 4Å
224E89.9Confident93Very high113 Ų11370.2 Ų70.253%0.52834%0.341SS..Hα-helixtrans-62.3-47176.3-69.7170.5-173.500110.6V220 H221 N226 Y227V220-E224 PolarHBondContact O-N 2.75Å; H221-E224 PolarHBondContact O-N 2.94Å; E224-N226 VanDerWaalsContact C-N 3.25Å; E224-N226 PolarHBondContact O-N 3.3Å; E224-Y227 PolarHBondContact O-N 3.32Å
225D93.8Very high92.9Very high105 Ų10575 Ų7556%0.56137%0.365SS*.Hα-helixtrans-64.9-30177.2-66.3-30.9000112.7H221 W222H221-D225 IonicContact CE1-OD1 4Å; H221-D225 IonicContact CE1-OD2 2.77Å; H221-D225 PolarHBondContact CE1-OD2 3.5Å; H221-D225 IonicContact ND1-OD2 2.91Å; H221-D225 PolarHBondContact ND1-OD2 2.99Å; H221-D225 VanDerWaalsContact O-CG 3.31Å; H221-D225 PolarHBondContact O-N 3.44Å; W222-D225 PolarHBondContact O-N 3.01Å
226N93.6Very high92.9Very high31 Ų3179.1 Ų79.117%0.16639%0.39CS..THydrogen-bonded Turntrans-112.428.6-175.9-66.3-96.9000112.7W222 M223 E224 K228 K229 M230W222-N226 HydrophobicContact CD2-CB 4.37Å; W222-N226 HydrophobicContact CH2-CB 4.36Å; W222-N226 HydrophobicContact CZ2-CB 4.11Å; W222-N226 PolarHBondContact NE1-ND2 1.97Å; W222-N226 VanDerWaalsContact O-CB 3.24Å; W222-N226 WeakPolarHBondContact O-CB 3.03Å; W222-N226 PolarHBondContact O-N 2.5Å; W222-N226 PolarHBondContact O-ND2 3.36Å; M223-N226 CarbonylContact O-C 3.59Å; M223-N226 VanDerWaalsContact O-C 3.29Å; M223-N226 PolarHBondContact O-N 2.82Å; E224-N226 VanDerWaalsContact C-N 3.25Å; E224-N226 PolarHBondContact O-N 3.3Å; N226-K228 PolarHBondContact O-N 3.31Å; N226-K229 HydrophobicContact CB-CB 4.43Å; N226-K229 HydrophobicContact CB-CD 4.22Å; N226-K229 WeakPolarHBondContact O-CB 3.4Å; N226-K229 PolarHBondContact O-N 3.47Å; N226-K229 PolarHBondContact OD1-NZ 3.05Å; N226-M230 PolarHBondContact O-N 2.83Å
227Y92.9Very high92.8Very high146 Ų14682.6 Ų82.657%0.57341%0.408SS*.Hα-helixtrans-54-32-174.381.4-84.7000113.1M223 E224 M230 A231M223-Y227 VanDerWaalsContact O-CA 3.31Å; M223-Y227 WeakPolarHBondContact O-CA 2.98Å; M223-Y227 PolarHBondContact O-N 2.83Å; E224-Y227 PolarHBondContact O-N 3.32Å; Y227-M230 PolarHBondContact O-N 3.05Å; Y227-A231 WeakPolarHBondContact O-CB 3.43Å; Y227-A231 PolarHBondContact O-N 3.1Å
228K94.8Very high92.9Very high138 Ų13880.5 Ų80.560%0.640%0.399SS*.Hα-helixtrans-61.7-43.8174.9-64-178.3-176.8175.50112.6N226 M230 A231 I232N226-K228 PolarHBondContact O-N 3.31Å; K228-M230 VanDerWaalsContact C-N 3.33Å; K228-A231 PolarHBondContact O-N 3.39Å; K228-I232 VanDerWaalsContact O-CG1 3.3Å; K228-I232 WeakPolarHBondContact O-CG1 3.48Å; K228-I232 PolarHBondContact O-N 2.93Å; K228-I232 VanDerWaalsContact O-N 3.1Å
229K93.4Very high93Very high125 Ų12584.6 Ų84.654%0.54342%0.419SS..Hα-helixtrans-66.8-39.7177.4-64.5179.4-174.5154.90110.5N226 I232 L233N226-K229 HydrophobicContact CB-CB 4.43Å; N226-K229 HydrophobicContact CB-CD 4.22Å; N226-K229 WeakPolarHBondContact O-CB 3.4Å; N226-K229 PolarHBondContact O-N 3.47Å; N226-K229 PolarHBondContact OD1-NZ 3.05Å; K229-I232 PolarHBondContact O-N 2.88Å; K229-L233 PolarHBondContact O-N 3.11Å
230M91.4Very high93.1Very high58 Ų5882.4 Ų82.429%0.28641%0.413SS..Hα-helixtrans-65.3-41.9176.8-65.8-54-62.100112.2W222 M223 N226 Y227 K228 I232 L233 L234W222-M230 HydrophobicContact CH2-SD 4.33Å; W222-M230 HydrophobicContact CZ3-CG 4.49Å; W222-M230 HydrophobicContact CZ3-SD 3.78Å; M223-M230 HydrophobicContact CB-CG 4.35Å; M223-M230 HydrophobicContact CG-CE 4.34Å; M223-M230 HydrophobicContact CG-CG 4.22Å; M223-M230 HydrophobicContact CG-SD 4.27Å; M223-M230 HydrophobicContact SD-CE 4Å; N226-M230 PolarHBondContact O-N 2.83Å; Y227-M230 PolarHBondContact O-N 3.05Å; K228-M230 VanDerWaalsContact C-N 3.33Å; M230-I232 VanDerWaalsContact C-N 3.34Å; M230-I232 PolarHBondContact O-N 3.15Å; M230-L233 HydrophobicContact CE-CD2 4.4Å; M230-L233 PolarHBondContact O-N 3.03Å; M230-L234 PolarHBondContact O-N 3.03Å
231A91.9Very high93.4Very high55 Ų5583.4 Ų83.446%0.45542%0.417SS..Hα-helixtrans-62.3-41.2175.600000112.1Y227 K228 L234 L235Y227-A231 WeakPolarHBondContact O-CB 3.43Å; Y227-A231 PolarHBondContact O-N 3.1Å; K228-A231 PolarHBondContact O-N 3.39Å; A231-L234 PolarHBondContact O-N 2.04Å; A231-L235 WeakPolarHBondContact O-CB 3.06Å; A231-L235 PolarHBondContact O-N 2.89Å
232I94.5Very high93.6Very high113 Ų11385.9 Ų85.958%0.57943%0.427SS*.Hα-helixtrans-62.3-46.5174.6-68.3165000110.6K228 K229 M230 L234 L235 V236K228-I232 VanDerWaalsContact O-CG1 3.3Å; K228-I232 WeakPolarHBondContact O-CG1 3.48Å; K228-I232 PolarHBondContact O-N 2.93Å; K228-I232 VanDerWaalsContact O-N 3.1Å; K229-I232 PolarHBondContact O-N 2.88Å; M230-I232 VanDerWaalsContact C-N 3.34Å; M230-I232 PolarHBondContact O-N 3.15Å; I232-L234 VanDerWaalsContact C-N 3.33Å; I232-L234 PolarHBondContact O-N 3.29Å; I232-L235 PolarHBondContact O-N 2.77Å; I232-V236 HydrophobicContact CG2-CG2 4.45Å; I232-V236 WeakPolarHBondContact O-CG2 3.21Å; I232-V236 PolarHBondContact O-N 3.09Å
233L92.4Very high93.8Very high93 Ų9386.1 Ų86.149%0.48743%0.43SS..Hα-helixtrans-58.8-44.6178.3-178.964.5000111.7K229 M230 L235 V236 I237K229-L233 PolarHBondContact O-N 3.11Å; M230-L233 HydrophobicContact CE-CD2 4.4Å; M230-L233 PolarHBondContact O-N 3.03Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.34Å; L233-V236 PolarHBondContact O-N 3.47Å; L233-I237 WeakPolarHBondContact O-CG1 3.15Å; L233-I237 PolarHBondContact O-N 3.34Å
234L91.9Very high94.2Very high101 Ų10183.6 Ų83.653%0.52942%0.418SS..Hα-helixtrans-62.2-42.2177-175.168.5000111.6M230 A231 I232 V236 I237 L238M230-L234 PolarHBondContact O-N 3.03Å; A231-L234 PolarHBondContact O-N 2.04Å; I232-L234 VanDerWaalsContact C-N 3.33Å; I232-L234 PolarHBondContact O-N 3.29Å; L234-V236 VanDerWaalsContact C-N 3.34Å; L234-V236 PolarHBondContact O-N 2.99Å; L234-I237 PolarHBondContact O-N 2.77Å; L234-I237 VanDerWaalsContact O-N 3.17Å; L234-L238 HydrophobicContact CD1-CD1 3.92Å; L234-L238 HydrophobicContact CD1-CG 4.21Å; L234-L238 HydrophobicContact CD2-CD1 4.21Å; L234-L238 HydrophobicContact CG-CD1 3.74Å; L234-L238 HydrophobicContact CG-CG 4.3Å; L234-L238 WeakPolarHBondContact O-CG 3.34Å; L234-L238 PolarHBondContact O-N 3.05Å
235L94.2Very high94.6Very high102 Ų10279.4 Ų79.453%0.53440%0.4SS..Hα-helixtrans-65.6-37.8179.1-169.9150.9000111.8A231 I232 L233 I237 L238 L239A231-L235 WeakPolarHBondContact O-CB 3.06Å; A231-L235 PolarHBondContact O-N 2.89Å; I232-L235 PolarHBondContact O-N 2.77Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.34Å; L235-I237 PolarHBondContact O-N 2.94Å; L235-L238 PolarHBondContact O-N 3.05Å; L235-L239 HydrophobicContact CD2-CB 4.04Å; L235-L239 HydrophobicContact CD2-CD1 3.59Å; L235-L239 HydrophobicContact CD2-CG 4.47Å; L235-L239 HydrophobicContact CG-CB 4.39Å; L235-L239 HydrophobicContact CG-CD1 4.3Å; L235-L239 WeakPolarHBondContact O-CB 3.27Å; L235-L239 PolarHBondContact O-N 3.31Å
236V95.1Very high94.8Very high91 Ų9177.8 Ų77.855%0.55239%0.391SS*.Hα-helixtrans-61.6-29.3174.9169.50000112.2I232 L233 L234 P240I232-V236 HydrophobicContact CG2-CG2 4.45Å; I232-V236 WeakPolarHBondContact O-CG2 3.21Å; I232-V236 PolarHBondContact O-N 3.09Å; L233-V236 PolarHBondContact O-N 3.47Å; L234-V236 VanDerWaalsContact C-N 3.34Å; L234-V236 PolarHBondContact O-N 2.99Å; V236-P240 WeakPolarHBondContact O-CD 3.38Å; V236-P240 WeakPolarHBondContact O-CG 3.3Å
237I92.9Very high94.9Very high79 Ų7976.8 Ų76.841%0.40539%0.385SS..Hα-helixtrans-83.1-49.5177.8-62.8167000110.8E101 L233 L234 L235E101-I237 WeakPolarHBondContact OE2-CG2 3.37Å; L233-I237 WeakPolarHBondContact O-CG1 3.15Å; L233-I237 PolarHBondContact O-N 3.34Å; L234-I237 PolarHBondContact O-N 2.77Å; L234-I237 VanDerWaalsContact O-N 3.17Å; L235-I237 PolarHBondContact O-N 2.94Å
238L95.4Very high95.1Very high33 Ų3369.8 Ų69.817%0.17336%0.358CS..Hα-helixtrans-76.8-37.5-172.7-64.1177.9000113.6L98 E101 L102 L234 L235 Q241 F242L98-L238 HydrophobicContact CD1-CD2 3.78Å; E101-L238 HydrophobicContact CB-CD2 4.24Å; E101-L238 WeakPolarHBondContact OE2-CD2 3.38Å; L102-L238 HydrophobicContact CD2-CD1 4.08Å; L102-L238 HydrophobicContact CD2-CD2 4.37Å; L234-L238 HydrophobicContact CD1-CD1 3.92Å; L234-L238 HydrophobicContact CD1-CG 4.21Å; L234-L238 HydrophobicContact CD2-CD1 4.21Å; L234-L238 HydrophobicContact CG-CD1 3.74Å; L234-L238 HydrophobicContact CG-CG 4.3Å; L234-L238 WeakPolarHBondContact O-CG 3.34Å; L234-L238 PolarHBondContact O-N 3.05Å; L235-L238 PolarHBondContact O-N 3.05Å; L238-Q241 PolarHBondContact O-N 3.41Å; L238-F242 PolarHBondContact O-N 3.32Å
239L96.1Very high95.3Very high96 Ų9669.3 Ų69.350%0.50335%0.352SS..Hα-helixtrans-64.3-46.1-173.4-174.1155.6000112.3L235 Q241 F242 F243L235-L239 HydrophobicContact CD2-CB 4.04Å; L235-L239 HydrophobicContact CD2-CD1 3.59Å; L235-L239 HydrophobicContact CD2-CG 4.47Å; L235-L239 HydrophobicContact CG-CB 4.39Å; L235-L239 HydrophobicContact CG-CD1 4.3Å; L235-L239 WeakPolarHBondContact O-CB 3.27Å; L235-L239 PolarHBondContact O-N 3.31Å; L239-Q241 VanDerWaalsContact C-N 3.31Å; L239-Q241 PolarHBondContact O-N 2.84Å; L239-F242 PolarHBondContact O-N 3.43Å; L239-F243 VanDerWaalsContact O-CB 3.3Å; L239-F243 WeakPolarHBondContact O-CB 3.46Å; L239-F243 PolarHBondContact O-N 3.09Å
240P96Very high95.4Very high35 Ų3566.7 Ų66.723%0.22734%0.344CS..Hα-helixtrans-62.5-37.4177.5-22.433.7000112.8Y22 F26 V236 F243 G244Y22-P240 WeakPolarHBondContact CE2-O 3.47Å; Y22-P240 PolarHBondContact OH-O 2.95Å; F26-P240 HydrophobicContact CE2-CB 4.27Å; F26-P240 HydrophobicContact CZ-CB 3.61Å; V236-P240 WeakPolarHBondContact O-CD 3.38Å; V236-P240 WeakPolarHBondContact O-CG 3.3Å; P240-F243 PolarHBondContact O-N 2.73Å; P240-G244 PolarHBondContact O-N 3.33Å
241Q95.8Very high95.6Very high30 Ų3063.9 Ų63.914%0.1433%0.33CS..Hα-helixtrans-64.5-48.3175.7-69.2-173.61.300112L98 E101 L238 L239 F243 G244 V245L98-Q241 HydrophobicContact CD1-CB 4.22Å; E101-Q241 VanDerWaalsContact CD-NE2 3.29Å; E101-Q241 PolarHBondContact OE1-NE2 3.48Å; E101-Q241 PolarHBondContact OE2-NE2 3.02Å; E101-Q241 PolarHBondContact OE2-OE1 2.97Å; E101-Q241 VanDerWaalsContact OE2-OE1 3.13Å; L238-Q241 PolarHBondContact O-N 3.41Å; L239-Q241 VanDerWaalsContact C-N 3.31Å; L239-Q241 PolarHBondContact O-N 2.84Å; Q241-F243 VanDerWaalsContact C-N 3.3Å; Q241-F243 PolarHBondContact O-N 2.89Å; Q241-G244 PolarHBondContact O-N 3.07Å; Q241-G244 VanDerWaalsContact O-N 3.16Å; Q241-V245 WeakPolarHBondContact O-CG2 3.15Å; Q241-V245 PolarHBondContact O-N 3.23Å
242F97.1Very high95.8Very high128 Ų12864.1 Ų64.156%0.56132%0.319SS*.Hα-helixtrans-58.6-45.4176.3177.1-97.8000111.1L238 L239 G244 V245 L246L238-F242 PolarHBondContact O-N 3.32Å; L239-F242 PolarHBondContact O-N 3.43Å; F242-G244 VanDerWaalsContact C-N 3.35Å; F242-G244 PolarHBondContact O-N 3.24Å; F242-V245 PolarHBondContact O-N 3.36Å; F242-L246 HydrophobicContact CE1-CD2 4.47Å; F242-L246 WeakPolarHBondContact O-CB 3.29Å; F242-L246 PolarHBondContact O-N 2.78Å
243F97.4Very high95.8Very high84 Ų8460.7 Ų60.737%0.36830%0.302SS..Hα-helixtrans-59-46.1175179.2-104.3000111.5I18 Y22 L239 P240 Q241 V245 L246 I247I18-F243 HydrophobicContact CG2-CE1 4.32Å; I18-F243 HydrophobicContact CG2-CZ 3.98Å; Y22-F243 AromaticContact CD2-CD1 3.9Å; Y22-F243 HydrophobicContact CD2-CD1 3.9Å; Y22-F243 HydrophobicContact CD2-CE1 4.15Å; Y22-F243 HydrophobicContact CE2-CD1 4.09Å; L239-F243 VanDerWaalsContact O-CB 3.3Å; L239-F243 WeakPolarHBondContact O-CB 3.46Å; L239-F243 PolarHBondContact O-N 3.09Å; P240-F243 PolarHBondContact O-N 2.73Å; Q241-F243 VanDerWaalsContact C-N 3.3Å; Q241-F243 PolarHBondContact O-N 2.89Å; F243-V245 PolarHBondContact O-N 3.19Å; F243-L246 PolarHBondContact O-N 3.37Å; F243-I247 HydrophobicContact CD1-CD1 4.17Å; F243-I247 HydrophobicContact CD1-CG2 4.29Å; F243-I247 HydrophobicContact CD2-CG2 4.09Å; F243-I247 HydrophobicContact CE1-CD1 3.85Å; F243-I247 HydrophobicContact CE1-CG2 3.87Å; F243-I247 HydrophobicContact CE2-CG2 3.65Å; F243-I247 HydrophobicContact CG-CG2 4.4Å; F243-I247 HydrophobicContact CZ-CD1 4.49Å; F243-I247 HydrophobicContact CZ-CG2 3.53Å; F243-I247 WeakPolarHBondContact O-CG1 3.5Å; F243-I247 WeakPolarHBondContact O-CG2 3.4Å; F243-I247 PolarHBondContact O-N 2.98Å
244G97.4Very high95.8Very high0 Ų058.9 Ų58.90%029%0.289CS..Hα-helixtrans-56.3-46.1175.400000113.4Y22 P240 Q241 F242 I247 T248Y22-G244 VanDerWaalsContact CZ-CA 3.49Å; P240-G244 PolarHBondContact O-N 3.33Å; Q241-G244 PolarHBondContact O-N 3.07Å; Q241-G244 VanDerWaalsContact O-N 3.16Å; F242-G244 VanDerWaalsContact C-N 3.35Å; F242-G244 PolarHBondContact O-N 3.24Å; G244-I247 VanDerWaalsContact O-CG1 3.3Å; G244-I247 WeakPolarHBondContact O-CG1 3.48Å; G244-T248 VanDerWaalsContact O-CB 3.27Å; G244-T248 WeakPolarHBondContact O-CB 3.43Å; G244-T248 PolarHBondContact O-N 2.83Å; G244-T248 PolarHBondContact O-OG1 3.42Å
245V97.9Very high95.9Very high25 Ų2554.7 Ų54.715%0.15227%0.267CS..Hα-helixtrans-62.3-47.3175.2173.60000110.6M91 L94 Q241 F242 F243 T248 W249M91-V245 HydrophobicContact CG-CG1 4.45Å; L94-V245 HydrophobicContact CB-CG2 3.66Å; Q241-V245 WeakPolarHBondContact O-CG2 3.15Å; Q241-V245 PolarHBondContact O-N 3.23Å; F242-V245 PolarHBondContact O-N 3.36Å; F243-V245 PolarHBondContact O-N 3.19Å; V245-T248 PolarHBondContact O-N 3.47Å; V245-W249 VanDerWaalsContact O-CB 3.26Å; V245-W249 WeakPolarHBondContact O-CB 3.32Å; V245-W249 PolarHBondContact O-N 2.92Å
246L97.9Very high95.9Very high71 Ų7151.7 Ų51.737%0.37226%0.255SS..Hα-helixtrans-60.4-51.1-179.4178.363.4000111.9F242 F243 T248 W249 L250F242-L246 HydrophobicContact CE1-CD2 4.47Å; F242-L246 WeakPolarHBondContact O-CB 3.29Å; F242-L246 PolarHBondContact O-N 2.78Å; F243-L246 PolarHBondContact O-N 3.37Å; L246-T248 VanDerWaalsContact C-N 3.32Å; L246-T248 PolarHBondContact O-N 3.23Å; L246-W249 PolarHBondContact O-N 3.29Å; L246-L250 HydrophobicContact CD1-CD1 4.3Å; L246-L250 HydrophobicContact CD1-CG 4.39Å; L246-L250 HydrophobicContact CG-CD1 4.22Å; L246-L250 WeakPolarHBondContact O-CG 3.49Å; L246-L250 PolarHBondContact O-N 3.32Å
247I97.3Very high95.7Very high9 Ų950.9 Ų50.95%0.04625%0.247CC..Hα-helixtrans-65.4-37.3-179.765.9178.6000111.7I18 L19 Y22 F243 G244 L250 Y251I18-I247 HydrophobicContact CG2-CD1 4.23Å; I18-I247 HydrophobicContact CG2-CG2 4.18Å; L19-I247 HydrophobicContact CB-CD1 4.47Å; L19-I247 HydrophobicContact CD1-CD1 3.96Å; L19-I247 HydrophobicContact CD1-CG1 3.97Å; Y22-I247 HydrophobicContact CD1-CD1 3.98Å; Y22-I247 HydrophobicContact CD2-CD1 4.12Å; Y22-I247 HydrophobicContact CG-CD1 3.67Å; F243-I247 HydrophobicContact CD1-CD1 4.17Å; F243-I247 HydrophobicContact CD1-CG2 4.29Å; F243-I247 HydrophobicContact CD2-CG2 4.09Å; F243-I247 HydrophobicContact CE1-CD1 3.85Å; F243-I247 HydrophobicContact CE1-CG2 3.87Å; F243-I247 HydrophobicContact CE2-CG2 3.65Å; F243-I247 HydrophobicContact CG-CG2 4.4Å; F243-I247 HydrophobicContact CZ-CD1 4.49Å; F243-I247 HydrophobicContact CZ-CG2 3.53Å; F243-I247 WeakPolarHBondContact O-CG1 3.5Å; F243-I247 WeakPolarHBondContact O-CG2 3.4Å; F243-I247 PolarHBondContact O-N 2.98Å; G244-I247 VanDerWaalsContact O-CG1 3.3Å; G244-I247 WeakPolarHBondContact O-CG1 3.48Å; I247-L250 PolarHBondContact O-N 3Å; I247-Y251 VanDerWaalsContact O-CB 3.26Å; I247-Y251 WeakPolarHBondContact O-CB 3.41Å; I247-Y251 PolarHBondContact O-N 3.28Å
248T97.3Very high95.6Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-68-41178.4-55.80000110.4L19 L87 F90 M91 G244 V245 L246 Y251 R252L19-T248 WeakPolarHBondContact CD1-OG1 3.4Å; L87-T248 HydrophobicContact CD2-CG2 4.38Å; F90-T248 HydrophobicContact CD1-CG2 3.85Å; F90-T248 WeakPolarHBondContact CD1-OG1 3.46Å; F90-T248 VanDerWaalsContact CE1-OG1 3.31Å; F90-T248 WeakPolarHBondContact CE1-OG1 3.32Å; M91-T248 HydrophobicContact CB-CG2 3.79Å; M91-T248 HydrophobicContact CG-CG2 4.39Å; G244-T248 VanDerWaalsContact O-CB 3.27Å; G244-T248 WeakPolarHBondContact O-CB 3.43Å; G244-T248 PolarHBondContact O-N 2.83Å; G244-T248 PolarHBondContact O-OG1 3.42Å; V245-T248 PolarHBondContact O-N 3.47Å; L246-T248 VanDerWaalsContact C-N 3.32Å; L246-T248 PolarHBondContact O-N 3.23Å; T248-Y251 PolarHBondContact O-N 2.9Å; T248-R252 WeakPolarHBondContact O-CB 3.37Å; T248-R252 PolarHBondContact O-N 2.97Å
249W97.3Very high95.3Very high128 Ų12853 Ų5349%0.48525%0.254SS..Hα-helixtrans-62.6-47.9175.9178.983.2000111.9M91 V245 L246 Y251 R252 N253M91-W249 HydrophobicContact SD-CB 4.08Å; V245-W249 VanDerWaalsContact O-CB 3.26Å; V245-W249 WeakPolarHBondContact O-CB 3.32Å; V245-W249 PolarHBondContact O-N 2.92Å; L246-W249 PolarHBondContact O-N 3.29Å; W249-Y251 PolarHBondContact O-N 2.89Å; W249-R252 PolarHBondContact O-N 3.14Å; W249-N253 WeakPolarHBondContact CZ2-ND2 3.18Å; W249-N253 PolarHBondContact NE1-ND2 2.87Å; W249-N253 WeakPolarHBondContact O-CB 3.28Å; W249-N253 VanDerWaalsContact O-CG 3.28Å; W249-N253 PolarHBondContact O-N 2.91Å; W249-N253 PolarHBondContact O-ND2 3.3Å
250L96.3Very high95.1Very high69 Ų6951.6 Ų51.636%0.36125%0.252SS..Hα-helixtrans-59-46.6175.5-71.1173.3000111.6L15 L246 I247 R254L15-L250 HydrophobicContact CD1-CB 4.41Å; L15-L250 HydrophobicContact CD2-CB 4.26Å; L15-L250 HydrophobicContact CD2-CD1 4.46Å; L246-L250 HydrophobicContact CD1-CD1 4.3Å; L246-L250 HydrophobicContact CD1-CG 4.39Å; L246-L250 HydrophobicContact CG-CD1 4.22Å; L246-L250 WeakPolarHBondContact O-CG 3.49Å; L246-L250 PolarHBondContact O-N 3.32Å; I247-L250 PolarHBondContact O-N 3Å; L250-R254 PolarHBondContact O-N 3.12Å; L250-R254 VanDerWaalsContact O-N 3.13Å
251Y95.9Very high94.9Very high0 Ų055.4 Ų55.40%027%0.267CS..Hα-helixtrans-65-47179.7-173.3-112000112.2Y12 L15 K16 L19 D82 L87 I247 T248 W249 N253 R254 V255Y12-Y251 AromaticContact CD2-CE2 3.89Å; Y12-Y251 HydrophobicContact CD2-CE2 3.89Å; Y12-Y251 AromaticContact CE2-CE2 3.49Å; Y12-Y251 HydrophobicContact CE2-CE2 3.49Å; Y12-Y251 VanDerWaalsContact CE2-CE2 3.49Å; Y12-Y251 AromaticContact CE2-CZ 3.8Å; Y12-Y251 WeakPolarHBondContact CE2-OH 3.36Å; Y12-Y251 PolarHBondContact OH-OH 3.49Å; Y12-Y251 VanDerWaalsContact OH-OH 3.1Å; L15-Y251 HydrophobicContact CB-CD2 3.89Å; K16-Y251 HydrophobicContact CB-CD2 4.49Å; K16-Y251 HydrophobicContact CB-CE2 3.6Å; K16-Y251 WeakPolarHBondContact CD-OH 3.39Å; K16-Y251 HydrophobicContact CG-CE2 4.15Å; K16-Y251 WeakPolarHBondContact CG-OH 3.41Å; L19-Y251 HydrophobicContact CD2-CD1 3.38Å; L19-Y251 HydrophobicContact CD2-CE1 4.09Å; L19-Y251 HydrophobicContact CD2-CG 3.77Å; D82-Y251 PolarHBondContact OD1-OH 2.77Å; L87-Y251 HydrophobicContact CD1-CD1 3.74Å; L87-Y251 HydrophobicContact CD1-CE1 3.84Å; L87-Y251 HydrophobicContact CD2-CD1 4.01Å; L87-Y251 HydrophobicContact CD2-CE1 4.35Å; I247-Y251 VanDerWaalsContact O-CB 3.26Å; I247-Y251 WeakPolarHBondContact O-CB 3.41Å; I247-Y251 PolarHBondContact O-N 3.28Å; T248-Y251 PolarHBondContact O-N 2.9Å; W249-Y251 PolarHBondContact O-N 2.89Å; Y251-N253 PolarHBondContact O-N 3.34Å; Y251-R254 PolarHBondContact O-N 3.33Å; Y251-V255 HydrophobicContact CD1-CG2 4.14Å; Y251-V255 HydrophobicContact CE1-CG2 3.75Å; Y251-V255 HydrophobicContact CE2-CG2 4.13Å; Y251-V255 WeakPolarHBondContact O-CG2 3.37Å; Y251-V255 PolarHBondContact O-N 3.08Å
252R96Very high94.5Very high59 Ų5962.3 Ų62.322%0.22329%0.292CS..Hα-helixtrans-57.4-49.1178176.9-146.2179.8-85.6-6111.3L84 N88 T248 W249 R254 V255 S256L84-R252 HydrophobicContact CD2-CG 4.05Å; N88-R252 WeakPolarHBondContact OD1-CD 3.41Å; N88-R252 PolarHBondContact OD1-NE 3.08Å; T248-R252 WeakPolarHBondContact O-CB 3.37Å; T248-R252 PolarHBondContact O-N 2.97Å; W249-R252 PolarHBondContact O-N 3.14Å; R252-R254 VanDerWaalsContact C-N 3.29Å; R252-R254 PolarHBondContact O-N 3.47Å; R252-V255 PolarHBondContact O-N 2.82Å; R252-S256 WeakPolarHBondContact O-CB 3.32Å; R252-S256 PolarHBondContact O-N 3.44Å
253N94.6Very high94.2Very high42 Ų4260.2 Ų60.223%0.22529%0.287CS..Hα-helixtrans-60.7-43.8179.5-70.5-12.6000110.3W249 Y251 V255 S256 D257W249-N253 WeakPolarHBondContact CZ2-ND2 3.18Å; W249-N253 PolarHBondContact NE1-ND2 2.87Å; W249-N253 WeakPolarHBondContact O-CB 3.28Å; W249-N253 VanDerWaalsContact O-CG 3.28Å; W249-N253 PolarHBondContact O-N 2.91Å; W249-N253 PolarHBondContact O-ND2 3.3Å; Y251-N253 PolarHBondContact O-N 3.34Å; N253-V255 PolarHBondContact O-N 2.8Å; N253-S256 WeakPolarHBondContact O-CB 3.37Å; N253-S256 PolarHBondContact O-N 2.74Å; N253-S256 VanDerWaalsContact O-N 3.15Å; N253-D257 PolarHBondContact O-N 3.15Å
254R93.1Very high94Very high54 Ų5461.5 Ų61.520%0.20429%0.294CS..Hα-helixtrans-61.5-41.9177.3-170.362.5-177.3136.96.3113.2Q8 Y12 L250 Y251 R252 I258Q8-R254 PolarHBondContact O-NH2 3.45Å; Y12-R254 HydrophobicContact CD2-CG 4.19Å; L250-R254 PolarHBondContact O-N 3.12Å; L250-R254 VanDerWaalsContact O-N 3.13Å; Y251-R254 PolarHBondContact O-N 3.33Å; R252-R254 VanDerWaalsContact C-N 3.29Å; R252-R254 PolarHBondContact O-N 3.47Å; R254-I258 HydrophobicContact CG-CD1 4.33Å; R254-I258 WeakPolarHBondContact O-CD1 3.41Å; R254-I258 VanDerWaalsContact O-CG1 3.31Å; R254-I258 WeakPolarHBondContact O-CG1 3.33Å; R254-I258 PolarHBondContact O-N 3.03Å
255V93.4Very high93.7Very high13 Ų1367.6 Ų67.68%0.07932%0.322CS..Hα-helixtrans-66.4-39.6175.7173.70000111.1Y12 D82 L84 Y251 R252 N253 K259Y12-V255 HydrophobicContact CE2-CG2 3.89Å; D82-V255 HydrophobicContact CB-CG1 4.49Å; L84-V255 HydrophobicContact CD2-CB 3.91Å; L84-V255 HydrophobicContact CD2-CG1 3.66Å; L84-V255 HydrophobicContact CG-CG1 3.99Å; Y251-V255 HydrophobicContact CD1-CG2 4.14Å; Y251-V255 HydrophobicContact CE1-CG2 3.75Å; Y251-V255 HydrophobicContact CE2-CG2 4.13Å; Y251-V255 WeakPolarHBondContact O-CG2 3.37Å; Y251-V255 PolarHBondContact O-N 3.08Å; R252-V255 PolarHBondContact O-N 2.82Å; N253-V255 PolarHBondContact O-N 2.8Å; V255-K259 WeakPolarHBondContact O-CB 3.44Å; V255-K259 PolarHBondContact O-N 3.01Å
256S93.5Very high93.4Very high39 Ų3968.4 Ų68.427%0.27333%0.329SS..Hα-helixtrans-62.9-44.3177.9-170.80000111.6R252 N253 K259 S260R252-S256 WeakPolarHBondContact O-CB 3.32Å; R252-S256 PolarHBondContact O-N 3.44Å; N253-S256 WeakPolarHBondContact O-CB 3.37Å; N253-S256 PolarHBondContact O-N 2.74Å; N253-S256 VanDerWaalsContact O-N 3.15Å; S256-K259 PolarHBondContact O-N 3.26Å; S256-S260 WeakPolarHBondContact O-CB 3.3Å; S256-S260 PolarHBondContact O-N 3.1Å; S256-S260 PolarHBondContact O-OG 2.89Å
257D91.8Very high93.1Very high75 Ų7568.6 Ų68.640%0.40133%0.33SS..Hα-helixtrans-60.5-51.6178.3-62.8-19.8000110.2N253 K259 S260 E261N253-D257 PolarHBondContact O-N 3.15Å; D257-K259 VanDerWaalsContact C-N 3.31Å; D257-K259 PolarHBondContact O-N 2.99Å; D257-S260 PolarHBondContact O-N 2.84Å; D257-S260 VanDerWaalsContact O-N 3.14Å; D257-S260 PolarHBondContact O-OG 2.84Å; D257-E261 WeakPolarHBondContact O-CG 3.47Å; D257-E261 PolarHBondContact O-N 3.31Å
258I89.6Confident92.9Very high42 Ų4271.3 Ų71.322%0.21535%0.345CS..Hα-helixtrans-55.6-49177.3-68.1167000109.7Y12 R254 S260 E261 W262Y12-I258 HydrophobicContact CD2-CD1 4.11Å; Y12-I258 HydrophobicContact CG-CD1 4.44Å; R254-I258 HydrophobicContact CG-CD1 4.33Å; R254-I258 WeakPolarHBondContact O-CD1 3.41Å; R254-I258 VanDerWaalsContact O-CG1 3.31Å; R254-I258 WeakPolarHBondContact O-CG1 3.33Å; R254-I258 PolarHBondContact O-N 3.03Å; I258-S260 VanDerWaalsContact C-N 3.32Å; I258-S260 PolarHBondContact O-N 3.26Å; I258-E261 WeakPolarHBondContact O-CB 3.37Å; I258-E261 PolarHBondContact O-N 3.02Å; I258-W262 PolarHBondContact O-N 3.15Å
259K90.6Very high92.6Very high113 Ų11376.6 Ų76.649%0.49137%0.371SS..Hα-helixtrans-61.2-40.5-179.3-172.8162.1-176.8169.50112.4L84 V255 S256 D257 W262 D263L84-K259 HydrophobicContact CD1-CD 4.04Å; V255-K259 WeakPolarHBondContact O-CB 3.44Å; V255-K259 PolarHBondContact O-N 3.01Å; S256-K259 PolarHBondContact O-N 3.26Å; D257-K259 VanDerWaalsContact C-N 3.31Å; D257-K259 PolarHBondContact O-N 2.99Å; K259-W262 PolarHBondContact O-N 3.45Å; K259-D263 WeakPolarHBondContact O-CB 3.39Å; K259-D263 VanDerWaalsContact O-CG 3.3Å; K259-D263 PolarHBondContact O-N 3.19Å
260S91.5Very high92.3Very high67 Ų6776.1 Ų76.147%0.46937%0.372SS..Hα-helixtrans-65.1-37.4176.573.30000112.8S256 D257 I258 D263 Q264S256-S260 WeakPolarHBondContact O-CB 3.3Å; S256-S260 PolarHBondContact O-N 3.1Å; S256-S260 PolarHBondContact O-OG 2.89Å; D257-S260 PolarHBondContact O-N 2.84Å; D257-S260 VanDerWaalsContact O-N 3.14Å; D257-S260 PolarHBondContact O-OG 2.84Å; I258-S260 VanDerWaalsContact C-N 3.32Å; I258-S260 PolarHBondContact O-N 3.26Å; S260-D263 PolarHBondContact O-N 3.39Å; S260-Q264 WeakPolarHBondContact O-CB 3.44Å; S260-Q264 PolarHBondContact O-N 3.49Å
261E91.1Very high92.1Very high116 Ų11679.2 Ų79.254%0.54239%0.385SS..Hα-helixtrans-62.3-45.1173.9-69.4171.9-178.700111.2D257 I258 Q264 Q265D257-E261 WeakPolarHBondContact O-CG 3.47Å; D257-E261 PolarHBondContact O-N 3.31Å; I258-E261 WeakPolarHBondContact O-CB 3.37Å; I258-E261 PolarHBondContact O-N 3.02Å; E261-Q264 PolarHBondContact O-N 3.06Å; E261-Q265 WeakPolarHBondContact O-CB 3.35Å; E261-Q265 PolarHBondContact O-N 3.2Å
262W87.8Confident91.9Very high174 Ų17485.4 Ų85.466%0.65941%0.414SS*.Hα-helixtrans-65-42.4176.3-72.7102.7000112.6I258 K259 Q265 S266I258-W262 PolarHBondContact O-N 3.15Å; K259-W262 PolarHBondContact O-N 3.45Å; W262-Q265 PolarHBondContact O-N 3.13Å; W262-S266 WeakPolarHBondContact O-CB 3.25Å; W262-S266 PolarHBondContact O-N 3.4Å
263D90.7Very high91.6Very high85 Ų8588 Ų8846%0.45543%0.431SS..Hα-helixtrans-65.1-42.1178.8-73.3-22.7000110.8K259 S260 S266 N267K259-D263 WeakPolarHBondContact O-CB 3.39Å; K259-D263 VanDerWaalsContact O-CG 3.3Å; K259-D263 PolarHBondContact O-N 3.19Å; S260-D263 PolarHBondContact O-N 3.39Å; D263-S266 PolarHBondContact O-N 3.44Å; D263-N267 WeakPolarHBondContact O-CB 3.04Å; D263-N267 PolarHBondContact O-N 3.05Å; D263-N267 PolarHBondContact O-ND2 2.93Å
264Q93.1Very high91.4Very high110 Ų11089.9 Ų89.951%0.51445%0.445SS..Hα-helixtrans-62-51175-173.163.531.200111.2S260 E261 S266 N267 D268S260-Q264 WeakPolarHBondContact O-CB 3.44Å; S260-Q264 PolarHBondContact O-N 3.49Å; E261-Q264 PolarHBondContact O-N 3.06Å; Q264-S266 VanDerWaalsContact C-N 3.26Å; Q264-S266 PolarHBondContact O-N 3.48Å; Q264-N267 PolarHBondContact O-N 2.9Å; Q264-D268 PolarHBondContact NE2-OD1 2.78Å; Q264-D268 VanDerWaalsContact O-CG 3.28Å; Q264-D268 PolarHBondContact O-N 3Å
265Q92.3Very high91.2Very high129 Ų12993 Ų9360%0.60346%0.461SS*.Hα-helixtrans-59.8-38.4178.6-173.2179.1-3.300111.8E261 W262 M269E261-Q265 WeakPolarHBondContact O-CB 3.35Å; E261-Q265 PolarHBondContact O-N 3.2Å; W262-Q265 PolarHBondContact O-N 3.13Å; Q265-M269 WeakPolarHBondContact O-CB 3.44Å; Q265-M269 PolarHBondContact O-N 3.45Å; Q265-M269 VanDerWaalsContact O-N 3.11Å
266S90.8Very high91Very high42 Ų4297.1 Ų97.129%0.29448%0.483SS..Hα-helixtrans-66.8-37175.2-1790000112.6W262 D263 Q264 K270W262-S266 WeakPolarHBondContact O-CB 3.25Å; W262-S266 PolarHBondContact O-N 3.4Å; D263-S266 PolarHBondContact O-N 3.44Å; Q264-S266 VanDerWaalsContact C-N 3.26Å; Q264-S266 PolarHBondContact O-N 3.48Å; S266-K270 WeakPolarHBondContact O-CG 2.93Å; S266-K270 PolarHBondContact O-N 3.27Å; S266-K270 VanDerWaalsContact O-N 3.17Å
267N91.8Very high90.6Very high75 Ų7598.1 Ų98.140%0.40149%0.493SS..Hα-helixtrans-71.6-45.7179.1-71.9-22.1000110.9D263 Q264 M269 K270 E271D263-N267 WeakPolarHBondContact O-CB 3.04Å; D263-N267 PolarHBondContact O-N 3.05Å; D263-N267 PolarHBondContact O-ND2 2.93Å; Q264-N267 PolarHBondContact O-N 2.9Å; N267-M269 VanDerWaalsContact C-N 3.27Å; N267-M269 PolarHBondContact O-N 3.36Å; N267-K270 WeakPolarHBondContact O-CB 3.41Å; N267-K270 PolarHBondContact O-N 3.08Å; N267-E271 PolarHBondContact O-N 3.17Å
268D92Very high90.2Very high66 Ų6699.2 Ų99.235%0.35350%0.499SS..Hα-helixtrans-56.8-42.8175.7-65.5-9.9000111Q264 K270 E271 Q272Q264-D268 PolarHBondContact NE2-OD1 2.78Å; Q264-D268 VanDerWaalsContact O-CG 3.28Å; Q264-D268 PolarHBondContact O-N 3Å; D268-K270 PolarHBondContact O-N 3.37Å; D268-E271 PolarHBondContact O-N 3.45Å; D268-Q272 WeakPolarHBondContact O-CG 3.46Å; D268-Q272 PolarHBondContact O-N 2.9Å
269M91.2Very high90Very high110 Ų11099.8 Ų99.854%0.54250%0.504SS..Hα-helixtrans-63.6-40.4175.8-175.7171.761.200112.4Q265 N267 L273Q265-M269 WeakPolarHBondContact O-CB 3.44Å; Q265-M269 PolarHBondContact O-N 3.45Å; Q265-M269 VanDerWaalsContact O-N 3.11Å; N267-M269 VanDerWaalsContact C-N 3.27Å; N267-M269 PolarHBondContact O-N 3.36Å; M269-L273 HydrophobicContact CG-CD1 4.35Å; M269-L273 VanDerWaalsContact O-CG 3.29Å; M269-L273 WeakPolarHBondContact O-CG 3.34Å; M269-L273 PolarHBondContact O-N 3.13Å; M269-L273 VanDerWaalsContact O-N 3.11Å
270K92.1Very high89.6Confident118 Ų118101.2 Ų101.251%0.51351%0.511SS..Hα-helixtrans-66.3-39.4175.6-74.7170.4-175.5168.20111.8S266 N267 D268 L273 T274S266-K270 WeakPolarHBondContact O-CG 2.93Å; S266-K270 PolarHBondContact O-N 3.27Å; S266-K270 VanDerWaalsContact O-N 3.17Å; N267-K270 WeakPolarHBondContact O-CB 3.41Å; N267-K270 PolarHBondContact O-N 3.08Å; D268-K270 PolarHBondContact O-N 3.37Å; K270-L273 PolarHBondContact O-N 3.5Å; K270-T274 WeakPolarHBondContact O-CB 3.45Å; K270-T274 PolarHBondContact O-N 3.17Å; K270-T274 PolarHBondContact O-OG1 3.26Å
271E91.3Very high88.8Confident134 Ų134106.9 Ų106.963%0.62652%0.522SS*.Hα-helixtrans-64.1-45.5176.8-74.6-172.817600111.4N267 D268 L273 T274 H275N267-E271 PolarHBondContact O-N 3.17Å; D268-E271 PolarHBondContact O-N 3.45Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-L273 PolarHBondContact O-N 3.15Å; E271-T274 PolarHBondContact O-N 3.12Å; E271-H275 WeakPolarHBondContact O-CB 3.29Å; E271-H275 PolarHBondContact O-N 3.13Å
272Q91.3Very high87.9Confident130 Ų130103.1 Ų103.161%0.60752%0.515SS*.Hα-helixtrans-59.3-43.3175.7-73.2178.5-3.300112.3D268 N276D268-Q272 WeakPolarHBondContact O-CG 3.46Å; D268-Q272 PolarHBondContact O-N 2.9Å; Q272-N276 WeakPolarHBondContact O-CB 3.48Å; Q272-N276 VanDerWaalsContact O-CG 3.23Å; Q272-N276 PolarHBondContact O-N 3.01Å; Q272-N276 PolarHBondContact O-ND2 3.16Å
273L90.6Very high87.1Confident113 Ų113103.5 Ų103.559%0.59252%0.516SS*.Hα-helixtrans-63.5-42.5176.1-72.2168.6000111.7M269 K270 E271 N276 A277M269-L273 HydrophobicContact CG-CD1 4.35Å; M269-L273 VanDerWaalsContact O-CG 3.29Å; M269-L273 WeakPolarHBondContact O-CG 3.34Å; M269-L273 PolarHBondContact O-N 3.13Å; M269-L273 VanDerWaalsContact O-N 3.11Å; K270-L273 PolarHBondContact O-N 3.5Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-L273 PolarHBondContact O-N 3.15Å; L273-N276 PolarHBondContact O-N 3.34Å; L273-A277 WeakPolarHBondContact O-CB 3.34Å; L273-A277 PolarHBondContact O-N 3.24Å
274T89.9Confident86.1Confident82 Ų82103.5 Ų103.550%0.50352%0.515SS..Hα-helixtrans-66.1-43.8179-53.20000111.3K270 E271 A277 N278K270-T274 WeakPolarHBondContact O-CB 3.45Å; K270-T274 PolarHBondContact O-N 3.17Å; K270-T274 PolarHBondContact O-OG1 3.26Å; E271-T274 PolarHBondContact O-N 3.12Å; T274-A277 PolarHBondContact O-N 3.05Å; T274-N278 WeakPolarHBondContact O-CB 3.48Å; T274-N278 PolarHBondContact O-N 3.44Å
275H89.7Confident84.8Confident120 Ų120101.7 Ų101.756%0.55651%0.514SS*.Hα-helixtrans-59.6-49174.9178.2-90.7000111.2E271 A277 N278 V279E271-H275 WeakPolarHBondContact O-CB 3.29Å; E271-H275 PolarHBondContact O-N 3.13Å; H275-A277 VanDerWaalsContact C-N 3.34Å; H275-A277 PolarHBondContact O-N 3.37Å; H275-N278 PolarHBondContact O-N 3.14Å; H275-V279 WeakPolarHBondContact O-CG2 3.37Å; H275-V279 PolarHBondContact O-N 2.95Å
276N88.3Confident83.7Confident100 Ų100103.1 Ų103.154%0.53552%0.518SS..Hα-helixtrans-62.8-38.8178.8-72.7-20.6000112.6Q272 L273 K280Q272-N276 WeakPolarHBondContact O-CB 3.48Å; Q272-N276 VanDerWaalsContact O-CG 3.23Å; Q272-N276 PolarHBondContact O-N 3.01Å; Q272-N276 PolarHBondContact O-ND2 3.16Å; L273-N276 PolarHBondContact O-N 3.34Å; N276-K280 WeakPolarHBondContact O-CB 3.16Å; N276-K280 PolarHBondContact O-N 3.13Å
277A84.9Confident82.2Confident59 Ų59110.3 Ų110.349%0.48854%0.539SS..Hα-helixtrans-63.4-43.5174.500000112.1L273 T274 H275 K280 R281L273-A277 WeakPolarHBondContact O-CB 3.34Å; L273-A277 PolarHBondContact O-N 3.24Å; T274-A277 PolarHBondContact O-N 3.05Å; H275-A277 VanDerWaalsContact C-N 3.34Å; H275-A277 PolarHBondContact O-N 3.37Å; A277-K280 PolarHBondContact O-N 3.14Å; A277-R281 WeakPolarHBondContact O-CB 3.33Å; A277-R281 PolarHBondContact O-N 3.2Å
278N84.5Confident80.6Confident98 Ų98114.4 Ų114.452%0.52455%0.55SS.*Hα-helixtrans-65-43.2177.2-76.9-20.1000112.4T274 H275 K280 R281 G282T274-N278 WeakPolarHBondContact O-CB 3.48Å; T274-N278 PolarHBondContact O-N 3.44Å; H275-N278 PolarHBondContact O-N 3.14Å; N278-K280 VanDerWaalsContact C-N 3.32Å; N278-K280 PolarHBondContact O-N 3.4Å; N278-R281 PolarHBondContact O-N 3.03Å; N278-G282 PolarHBondContact O-N 3.27Å
279V85.1Confident79Confident54 Ų54120.4 Ų120.433%0.32757%0.573SS.*Hα-helixtrans-60.4-42.4174.6170.70000111.2H275 G282 R283H275-V279 WeakPolarHBondContact O-CG2 3.37Å; H275-V279 PolarHBondContact O-N 2.95Å; V279-G282 PolarHBondContact O-N 3.17Å; V279-R283 PolarHBondContact O-N 3.22Å
280K80.7Confident77.4Confident144 Ų144120.1 Ų120.163%0.62658%0.581SS**Hα-helixtrans-65.5-42.7177.6-165.5176-176.6-179.10111.5N276 A277 N278 R283 I284N276-K280 WeakPolarHBondContact O-CB 3.16Å; N276-K280 PolarHBondContact O-N 3.13Å; A277-K280 PolarHBondContact O-N 3.14Å; N278-K280 VanDerWaalsContact C-N 3.32Å; N278-K280 PolarHBondContact O-N 3.4Å; K280-R283 PolarHBondContact O-N 2.99Å; K280-I284 HydrophobicContact CG-CD1 4.3Å; K280-I284 WeakPolarHBondContact O-CG1 3.36Å; K280-I284 PolarHBondContact O-N 3.3Å
281R75.3Confident75.5Confident185 Ų185119.9 Ų119.970%0.69858%0.583SS**Hα-helixtrans-63.3-42.6176.4-163.8-179.7-138.11644.2112.3A277 N278 R283 I284 S285A277-R281 WeakPolarHBondContact O-CB 3.33Å; A277-R281 PolarHBondContact O-N 3.2Å; N278-R281 PolarHBondContact O-N 3.03Å; R281-R283 VanDerWaalsContact C-N 3.35Å; R281-I284 PolarHBondContact O-N 3.26Å; R281-S285 PolarHBondContact O-N 3.12Å; R281-S285 PolarHBondContact O-OG 3.22Å
282G71.4Confident73.7Confident38 Ų38119.1 Ų119.139%0.39259%0.59SS.*Hα-helixtrans-64-36.8174.700000113.2N278 V279 S285 K286N278-G282 PolarHBondContact O-N 3.27Å; V279-G282 PolarHBondContact O-N 3.17Å; G282-S285 WeakPolarHBondContact CA-OG 3.11Å; G282-S285 PolarHBondContact O-OG 2.95Å; G282-S285 VanDerWaalsContact O-OG 3.05Å; G282-K286 WeakPolarHBondContact O-CB 3.07Å; G282-K286 PolarHBondContact O-N 3.3Å; G282-K286 VanDerWaalsContact O-N 3.09Å
283R72.1Confident72.1Confident182 Ų182121 Ų12169%0.68760%0.604SS**Hα-helixtrans-64.4-44.2172.1-103.6-174.9-87.7178.4-8.9112.1V279 K280 R281 K286 W287V279-R283 PolarHBondContact O-N 3.22Å; K280-R283 PolarHBondContact O-N 2.99Å; R281-R283 VanDerWaalsContact C-N 3.35Å; R283-K286 PolarHBondContact O-N 3Å; R283-W287 PolarHBondContact O-N 3.36Å; R283-W287 VanDerWaalsContact O-N 3.07Å
284I69.5Low70.1Confident85 Ų85128.8 Ų128.844%0.43663%0.633SS.*Hα-helixtrans-64.9-46.2178.7-68.9167.6000111K280 R281 K286 W287 Y288K280-I284 HydrophobicContact CG-CD1 4.3Å; K280-I284 WeakPolarHBondContact O-CG1 3.36Å; K280-I284 PolarHBondContact O-N 3.3Å; R281-I284 PolarHBondContact O-N 3.26Å; I284-K286 VanDerWaalsContact C-N 3.31Å; I284-K286 PolarHBondContact O-N 3.41Å; I284-W287 WeakPolarHBondContact O-CA 3.25Å; I284-W287 VanDerWaalsContact O-CB 3.29Å; I284-W287 WeakPolarHBondContact O-CB 3.2Å; I284-W287 PolarHBondContact O-N 3.17Å; I284-Y288 HydrophobicContact CG2-CD2 3.72Å; I284-Y288 HydrophobicContact CG2-CE2 3.48Å; I284-Y288 VanDerWaalsContact CG2-CE2 3.48Å; I284-Y288 VanDerWaalsContact O-CD2 3.27Å; I284-Y288 WeakPolarHBondContact O-CD2 3.39Å; I284-Y288 PolarHBondContact O-N 3.32Å
285S66.2Low69.1Low71 Ų71131.2 Ų131.250%0.49764%0.639SS.*Hα-helixtrans-64.2-35.5178.763.90000112.8R281 G282 W287 Y288 K289R281-S285 PolarHBondContact O-N 3.12Å; R281-S285 PolarHBondContact O-OG 3.22Å; G282-S285 WeakPolarHBondContact CA-OG 3.11Å; G282-S285 PolarHBondContact O-OG 2.95Å; G282-S285 VanDerWaalsContact O-OG 3.05Å; S285-W287 VanDerWaalsContact C-N 3.31Å; S285-Y288 PolarHBondContact O-N 3.37Å; S285-K289 PolarHBondContact O-N 3.48Å
286K69.9Low68Low159 Ų159131.7 Ų131.769%0.69164%0.644SS**Hα-helixtrans-65.4-34.8172.2-163.8172.7-174.8177.70112G282 R283 I284 K289G282-K286 WeakPolarHBondContact O-CB 3.07Å; G282-K286 PolarHBondContact O-N 3.3Å; G282-K286 VanDerWaalsContact O-N 3.09Å; R283-K286 PolarHBondContact O-N 3Å; I284-K286 VanDerWaalsContact C-N 3.31Å; I284-K286 PolarHBondContact O-N 3.41Å; K286-K289 PolarHBondContact O-N 2.91Å
287W59Low66.8Low194 Ų194133.5 Ų133.574%0.73565%0.65SS**Hα-helixtrans-66.4-43.5174.9-133.470.7000112.3R283 I284 S285 K289 C290 M291R283-W287 PolarHBondContact O-N 3.36Å; R283-W287 VanDerWaalsContact O-N 3.07Å; I284-W287 WeakPolarHBondContact O-CA 3.25Å; I284-W287 VanDerWaalsContact O-CB 3.29Å; I284-W287 WeakPolarHBondContact O-CB 3.2Å; I284-W287 PolarHBondContact O-N 3.17Å; S285-W287 VanDerWaalsContact C-N 3.31Å; W287-K289 VanDerWaalsContact C-N 3.27Å; W287-K289 PolarHBondContact O-N 2.06Å; W287-C290 PolarHBondContact O-N 2.81Å; W287-C290 VanDerWaalsContact O-N 3.17Å; W287-M291 HydrophobicContact CZ3-CE 4.48Å
288Y58Low65.8Low161 Ų161137.9 Ų137.963%0.63166%0.66SS**Hα-helixtrans-63.1-31174.9-81.7-76000113.2I284 S285 C290 M291I284-Y288 HydrophobicContact CG2-CD2 3.72Å; I284-Y288 HydrophobicContact CG2-CE2 3.48Å; I284-Y288 VanDerWaalsContact CG2-CE2 3.48Å; I284-Y288 VanDerWaalsContact O-CD2 3.27Å; I284-Y288 WeakPolarHBondContact O-CD2 3.39Å; I284-Y288 PolarHBondContact O-N 3.32Å; S285-Y288 PolarHBondContact O-N 3.37Å; Y288-C290 PolarHBondContact O-N 2.94Å; Y288-M291 PolarHBondContact O-N 3.19Å
289K58.8Low64.6Low192 Ų192140.4 Ų140.484%0.83567%0.668SS**THydrogen-bonded Turntrans-73.4-9.7177.4-132.5175.9-172.7178.80114.1S285 K286 W287S285-K289 PolarHBondContact O-N 3.48Å; K286-K289 PolarHBondContact O-N 2.91Å; W287-K289 VanDerWaalsContact C-N 3.27Å; W287-K289 PolarHBondContact O-N 2.06Å
290C57.1Low63.2Low104 Ų104146.1 Ų146.170%0.70369%0.691SS**THydrogen-bonded Turntrans-1109177.7-650000112.9W287 Y288W287-C290 PolarHBondContact O-N 2.81Å; W287-C290 VanDerWaalsContact O-N 3.17Å; Y288-C290 PolarHBondContact O-N 2.94Å
291M52Low62Low112 Ų112146.3 Ų146.355%0.55270%0.695SS**SBendtrans-75.3127.5167.4-86.3-169.2-17600109.1W287 Y288 D293W287-M291 HydrophobicContact CZ3-CE 4.48Å; Y288-M291 PolarHBondContact O-N 3.19Å; M291-D293 PolarHBondContact O-N 3.37Å
292P53.2Low61Low118 Ų118143.3 Ų143.377%0.76670%0.695SS**PPolyproline II helixtrans-69.5128.2174.227.7-30.8000109.4K294P292-K294 PolarHBondContact O-N 2.93Å
293D57.3Low60.1Low169 Ų169152.1 Ų152.190%0.90472%0.72SS**PPolyproline II helixtrans-59.7125168.5-70.9-40.4000108.4M291M291-D293 PolarHBondContact O-N 3.37Å
294K48.2Very low59Low278 Ų278149.4 Ų149.4100%1.20972%0.723SS**  trans-80.20172.5-85.9-172.7175.3-177.60110.8P292P292-K294 PolarHBondContact O-N 2.93Å

Retrieved 294 of 294 residues in 132.6 ms (Link to these results)

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