A0A3Q0KVE0_SCHMA Loading...

Putative tbc1 domain family member

AlphaFold DB , UniProt , Accession A0A3Q0KVE0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 413 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
1M36.6Very low71.8Confident239 Ų239101 Ų101100%1.17752%0.517SS*.  01000-75.6170.6172.100107.2S3M1-S3 VanDerWaalsContact C-N 3.25Å; M1-S3 PolarHBondContact O-N 2.79Å
2N46.4Very low73.4Confident166 Ų16695.6 Ų95.689%0.88849%0.49SS*.  trans-69.391171.9-77.2-8.3000107.1K4N2-K4 PolarHBondContact O-N 3.36Å
3S51.3Low74.9Confident103 Ų10396.8 Ų96.872%0.7250%0.498SS*.  trans-50.9110.1160.9171.90000105.8M1 C5M1-S3 VanDerWaalsContact C-N 3.25Å; M1-S3 PolarHBondContact O-N 2.79Å; S3-C5 VanDerWaalsContact C-N 3.29Å; S3-C5 PolarHBondContact O-N 2.9Å
4K56.6Low76.2Confident200 Ų20091.9 Ų91.987%0.8747%0.473SS*.  trans-61.3102.9171.6-82.7-177176.3-179.90105.2N2 S6N2-K4 PolarHBondContact O-N 3.36Å; K4-S6 PolarHBondContact O-N 3.19Å; K4-S6 VanDerWaalsContact O-N 3.14Å
5C67.4Low77.4Confident45 Ų4586.1 Ų86.130%0.30444%0.443SS..  trans-45.6122.6174.6-1720000107.9S3 E9 Q10S3-C5 VanDerWaalsContact C-N 3.29Å; S3-C5 PolarHBondContact O-N 2.9Å; C5-E9 VanDerWaalsContact CA-OE2 3.3Å; C5-E9 WeakPolarHBondContact CA-OE2 3.45Å; C5-E9 WeakPolarHBondContact SG-CB 3.49Å; C5-E9 PolarHBondContact SG-OE2 2.86Å; C5-Q10 HydrophobicContact CB-CG 4.17Å; C5-Q10 PolarHBondContact O-NE2 3.43Å
6S84.9Confident78.2Confident63 Ų6387.3 Ų87.344%0.44145%0.45SS..  trans-59.3150.7-174.4176.40000109.8K4 H8 E9 Q10K4-S6 PolarHBondContact O-N 3.19Å; K4-S6 VanDerWaalsContact O-N 3.14Å; S6-H8 PolarHBondContact O-N 2.96Å; S6-H8 VanDerWaalsContact O-N 3.07Å; S6-E9 PolarHBondContact N-OE2 2.79Å; S6-E9 WeakPolarHBondContact O-CB 3.26Å; S6-E9 PolarHBondContact O-N 2.92Å; S6-Q10 PolarHBondContact O-N 3.18Å
7R87.6Confident79Confident94 Ų9483.5 Ų83.536%0.35544%0.438SS..Hα-helixtrans-49.5-39175.5178170.972.9134-3.2111.3Q10 M11 L28 D31 G32R7-Q10 PolarHBondContact O-N 3.29Å; R7-M11 HydrophobicContact CG-SD 4.31Å; R7-M11 VanDerWaalsContact O-CG 3.3Å; R7-M11 WeakPolarHBondContact O-CG 2.95Å; R7-M11 PolarHBondContact O-N 2.87Å; R7-L28 HydrophobicContact CG-CD2 4.26Å; R7-L28 PolarHBondContact NH1-O 3.37Å; R7-L28 VanDerWaalsContact NH1-O 3.07Å; R7-D31 PolarHBondContact NH1-O 3.05Å; R7-G32 VanDerWaalsContact CZ-O 3.29Å; R7-G32 PolarHBondContact NH1-O 2.74Å; R7-G32 PolarHBondContact NH2-O 2.85Å
8H86.2Confident79.7Confident43 Ų4387.1 Ų87.120%0.19945%0.452CS..Hα-helixtrans-56.6-55.1173.8-176.7171.2000112S6 Q10 M11 L12 P34 S36 N37 I39S6-H8 PolarHBondContact O-N 2.96Å; S6-H8 VanDerWaalsContact O-N 3.07Å; H8-Q10 VanDerWaalsContact C-N 3.3Å; H8-Q10 PolarHBondContact O-N 3.5Å; H8-M11 PolarHBondContact O-N 2.88Å; H8-L12 PolarHBondContact O-N 3.13Å; H8-P34 HydrophobicContact CB-CG 4.41Å; H8-S36 PolarHBondContact CE1-OG 3.07Å; H8-N37 PolarHBondContact CE1-ND2 3.42Å; H8-N37 PolarHBondContact NE2-ND2 3.21Å; H8-I39 WeakPolarHBondContact CD2-CD1 3.3Å; H8-I39 WeakPolarHBondContact NE2-CD1 3.36Å
9E88.4Confident80.4Confident92 Ų9288.1 Ų88.143%0.4346%0.458SS..Hα-helixtrans-62.3-38.1-179.5-66.2171.4166.600111.7C5 S6 M11 L12 N13C5-E9 VanDerWaalsContact CA-OE2 3.3Å; C5-E9 WeakPolarHBondContact CA-OE2 3.45Å; C5-E9 WeakPolarHBondContact SG-CB 3.49Å; C5-E9 PolarHBondContact SG-OE2 2.86Å; S6-E9 PolarHBondContact N-OE2 2.79Å; S6-E9 WeakPolarHBondContact O-CB 3.26Å; S6-E9 PolarHBondContact O-N 2.92Å; E9-M11 PolarHBondContact O-N 3.11Å; E9-L12 PolarHBondContact O-N 3.34Å; E9-N13 WeakPolarHBondContact O-CB 3.4Å; E9-N13 PolarHBondContact O-N 2.98Å; E9-N13 PolarHBondContact O-ND2 3.4Å
10Q91.2Very high81.1Confident66 Ų6684.1 Ų84.131%0.30844%0.437SS..Hα-helixtrans-60.2-46.1175.1-66.3177.539.800111.5C5 S6 R7 H8 L12 N13 I14 L28C5-Q10 HydrophobicContact CB-CG 4.17Å; C5-Q10 PolarHBondContact O-NE2 3.43Å; S6-Q10 PolarHBondContact O-N 3.18Å; R7-Q10 PolarHBondContact O-N 3.29Å; H8-Q10 VanDerWaalsContact C-N 3.3Å; H8-Q10 PolarHBondContact O-N 3.5Å; Q10-L12 PolarHBondContact O-N 3.35Å; Q10-N13 PolarHBondContact O-N 2.96Å; Q10-I14 WeakPolarHBondContact O-CD1 3.26Å; Q10-I14 WeakPolarHBondContact O-CG1 3.44Å; Q10-I14 PolarHBondContact O-N 3.48Å; Q10-I14 VanDerWaalsContact O-N 3.08Å; Q10-L28 HydrophobicContact CB-CD1 3.82Å
11M93Very high81.8Confident0 Ų084.5 Ų84.50%044%0.44CS..Hα-helixtrans-62.1-43.6176.7-67.1174.477.600111.7R7 H8 E9 N13 I14 I15 L28 S29 C33 P34 I39 V43R7-M11 HydrophobicContact CG-SD 4.31Å; R7-M11 VanDerWaalsContact O-CG 3.3Å; R7-M11 WeakPolarHBondContact O-CG 2.95Å; R7-M11 PolarHBondContact O-N 2.87Å; H8-M11 PolarHBondContact O-N 2.88Å; E9-M11 PolarHBondContact O-N 3.11Å; M11-N13 PolarHBondContact O-N 3.01Å; M11-I14 PolarHBondContact O-N 3.25Å; M11-I15 HydrophobicContact CB-CD1 4.45Å; M11-I15 WeakPolarHBondContact O-CB 3.43Å; M11-I15 WeakPolarHBondContact O-CD1 3.41Å; M11-I15 WeakPolarHBondContact O-CG1 3.32Å; M11-I15 PolarHBondContact O-N 3.25Å; M11-L28 HydrophobicContact CG-CB 3.77Å; M11-L28 HydrophobicContact CG-CD1 3.91Å; M11-L28 HydrophobicContact CG-CG 4.48Å; M11-L28 HydrophobicContact SD-CB 4.31Å; M11-S29 WeakPolarHBondContact CE-OG 3.15Å; M11-C33 HydrophobicContact CE-CB 4.4Å; M11-P34 HydrophobicContact SD-CG 4.32Å; M11-I39 HydrophobicContact CB-CG2 4.35Å; M11-I39 HydrophobicContact CE-CG2 3.64Å; M11-I39 HydrophobicContact SD-CG2 4.31Å; M11-V43 HydrophobicContact CE-CG2 3.64Å
12L91.3Very high84.6Confident36 Ų3674 Ų7419%0.18839%0.389CS..Hα-helixtrans-61.9-42.9177.2-75.1173.7000112.3H8 E9 Q10 I14 I15 N16 I39H8-L12 PolarHBondContact O-N 3.13Å; E9-L12 PolarHBondContact O-N 3.34Å; Q10-L12 PolarHBondContact O-N 3.35Å; L12-I14 VanDerWaalsContact C-N 3.29Å; L12-I14 PolarHBondContact O-N 3.4Å; L12-I15 PolarHBondContact O-N 3.05Å; L12-N16 WeakPolarHBondContact O-CB 3.5Å; L12-N16 PolarHBondContact O-N 2.93Å; L12-N16 PolarHBondContact O-ND2 3.17Å; L12-I39 HydrophobicContact CD1-CD1 4.3Å; L12-I39 HydrophobicContact CD2-CD1 3.81Å; L12-I39 HydrophobicContact CD2-CG1 3.67Å; L12-I39 HydrophobicContact CG-CD1 3.76Å; L12-I39 HydrophobicContact CG-CG1 4.18Å
13N92.4Very high86.9Confident111 Ų11171 Ų7159%0.59437%0.369SS*.Hα-helixtrans-62-38.8177.7-70.4-21.2000111.6E9 Q10 M11 G17E9-N13 WeakPolarHBondContact O-CB 3.4Å; E9-N13 PolarHBondContact O-N 2.98Å; E9-N13 PolarHBondContact O-ND2 3.4Å; Q10-N13 PolarHBondContact O-N 2.96Å; M11-N13 PolarHBondContact O-N 3.01Å; N13-G17 PolarHBondContact O-N 3.46Å
14I93.8Very high89Confident28 Ų2868.6 Ų68.614%0.14435%0.347CS..Hα-helixtrans-68.9-48.6177.1-67.8162.2000111Q10 M11 L12 N16 G17 V20 E24 L25 L28Q10-I14 WeakPolarHBondContact O-CD1 3.26Å; Q10-I14 WeakPolarHBondContact O-CG1 3.44Å; Q10-I14 PolarHBondContact O-N 3.48Å; Q10-I14 VanDerWaalsContact O-N 3.08Å; M11-I14 PolarHBondContact O-N 3.25Å; L12-I14 VanDerWaalsContact C-N 3.29Å; L12-I14 PolarHBondContact O-N 3.4Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.86Å; I14-G17 PolarHBondContact O-N 3.44Å; I14-V20 HydrophobicContact CG2-CG1 3.99Å; I14-V20 VanDerWaalsContact O-CG2 3.3Å; I14-V20 WeakPolarHBondContact O-CG2 3.43Å; I14-E24 HydrophobicContact CD1-CB 4.25Å; I14-E24 HydrophobicContact CD1-CG 3.57Å; I14-L25 HydrophobicContact CG2-CB 4.17Å; I14-L25 HydrophobicContact CG2-CD1 4.14Å; I14-L28 HydrophobicContact CD1-CD1 3.52Å
15I93.3Very high90.9Very high6 Ų659.1 Ų59.13%0.03131%0.306CS..Hα-helixtrans-62.7-39.1-177.2-71.9163.6000111.7M11 L12 L25 I39 K42 V43 F46M11-I15 HydrophobicContact CB-CD1 4.45Å; M11-I15 WeakPolarHBondContact O-CB 3.43Å; M11-I15 WeakPolarHBondContact O-CD1 3.41Å; M11-I15 WeakPolarHBondContact O-CG1 3.32Å; M11-I15 PolarHBondContact O-N 3.25Å; L12-I15 PolarHBondContact O-N 3.05Å; I15-L25 HydrophobicContact CD1-CD1 4.33Å; I15-L25 HydrophobicContact CG1-CD1 4.03Å; I15-I39 HydrophobicContact CD1-CG2 4.12Å; I15-K42 HydrophobicContact CD1-CB 4.36Å; I15-K42 HydrophobicContact CG2-CB 3.75Å; I15-K42 HydrophobicContact CG2-CD 3.63Å; I15-K42 HydrophobicContact CG2-CG 4.28Å; I15-V43 HydrophobicContact CD1-CG2 3.65Å; I15-F46 HydrophobicContact CG1-CE2 4.44Å; I15-F46 HydrophobicContact CG2-CE2 4.16Å
16N91.2Very high92.2Very high104 Ų10458.8 Ų58.856%0.55630%0.299SS*.Hα-helixtrans-89.2-5.3-179.8-63-32.7000113.2L12 I14L12-N16 WeakPolarHBondContact O-CB 3.5Å; L12-N16 PolarHBondContact O-N 2.93Å; L12-N16 PolarHBondContact O-ND2 3.17Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.86Å
17G91.3Very high92.7Very high23 Ų2362.1 Ų62.124%0.23730%0.302CS..SBendtrans-67.9160.8178.400000113.1N13 I14 N19 R58N13-G17 PolarHBondContact O-N 3.46Å; I14-G17 PolarHBondContact O-N 3.44Å; G17-N19 PolarHBondContact O-N 3.47Å; G17-R58 PolarHBondContact O-NH1 3.39Å; G17-R58 PolarHBondContact O-NH2 2.63Å
18E91.7Very high93Very high148 Ų14858 Ų5869%0.69229%0.287SS*.SBendtrans-62.1-42.8178.8-66.5178.2177.500112.1V55 R58E18-V55 HydrophobicContact CB-CG1 4.07Å; E18-V55 HydrophobicContact CG-CG1 4.36Å; E18-V55 WeakPolarHBondContact O-CB 3.42Å; E18-V55 WeakPolarHBondContact O-CG1 3.46Å; E18-V55 PolarHBondContact O-N 3.05Å; E18-R58 PolarHBondContact O-NH2 3.33Å
19N93.7Very high93.4Very high106 Ų10656 Ų5657%0.56728%0.278SS*.BIsolated β-bridgetrans-126.1112.5176-70.1-65.1000109.4G17 N21 Y53 N54G17-N19 PolarHBondContact O-N 3.47Å; N19-N21 PolarHBondContact O-N 3.19Å; N19-Y53 WeakPolarHBondContact CA-O 3.45Å; N19-N54 WeakPolarHBondContact OD1-CA 3.36Å; N19-N54 WeakPolarHBondContact OD1-CB 3.48Å
20V94.2Very high93.6Very high8 Ų852.6 Ų52.65%0.04826%0.262CS..  trans-72.6117.9-179.4169.10000109.2I14 I22 L25 F46 Y53 R58I14-V20 HydrophobicContact CG2-CG1 3.99Å; I14-V20 VanDerWaalsContact O-CG2 3.3Å; I14-V20 WeakPolarHBondContact O-CG2 3.43Å; V20-I22 PolarHBondContact O-N 2.89Å; V20-I22 VanDerWaalsContact O-N 3.11Å; V20-L25 HydrophobicContact CG1-CD2 4.11Å; V20-F46 HydrophobicContact CB-CE1 4.19Å; V20-F46 HydrophobicContact CB-CZ 4.44Å; V20-F46 HydrophobicContact CG1-CD1 4.21Å; V20-F46 HydrophobicContact CG1-CE1 4.32Å; V20-F46 HydrophobicContact CG1-CG 4.34Å; V20-F46 HydrophobicContact CG2-CD1 4.44Å; V20-F46 HydrophobicContact CG2-CE1 3.74Å; V20-F46 HydrophobicContact CG2-CE2 4.1Å; V20-F46 HydrophobicContact CG2-CZ 3.55Å; V20-Y53 PolarHBondContact N-O 3.01Å; V20-R58 VanDerWaalsContact CG2-NH2 3.28Å
21N95.3Very high93.7Very high93 Ų9352.6 Ų52.650%0.49726%0.264SS..  trans-75.897.1168.2-175.8-18.6000109N19 E23 E24 L25N19-N21 PolarHBondContact O-N 3.19Å; N21-E23 VanDerWaalsContact C-N 3.31Å; N21-E23 PolarHBondContact O-N 3.01Å; N21-E23 PolarHBondContact OD1-N 2.92Å; N21-E24 HydrophobicContact CB-CB 4.11Å; N21-E24 PolarHBondContact O-N 2.97Å; N21-E24 PolarHBondContact OD1-N 3.42Å; N21-E24 VanDerWaalsContact OD1-N 3.12Å; N21-L25 WeakPolarHBondContact O-CB 3.3Å; N21-L25 PolarHBondContact O-N 3.36Å
22I95.4Very high93.7Very high20 Ų2052.7 Ų52.710%0.10327%0.266CS..Hα-helixtrans-64.2-34-176.2-169.760.6000112.8V20 L25 K26 F46 L47 Y53V20-I22 PolarHBondContact O-N 2.89Å; V20-I22 VanDerWaalsContact O-N 3.11Å; I22-L25 HydrophobicContact CD1-CD2 4.36Å; I22-L25 PolarHBondContact O-N 3.39Å; I22-K26 WeakPolarHBondContact O-CB 3.18Å; I22-K26 VanDerWaalsContact O-CG 3.25Å; I22-K26 WeakPolarHBondContact O-CG 3.37Å; I22-K26 PolarHBondContact O-N 3.07Å; I22-F46 HydrophobicContact CD1-CB 4.12Å; I22-L47 HydrophobicContact CD1-CD2 3.98Å; I22-Y53 HydrophobicContact CB-CD1 4.44Å; I22-Y53 HydrophobicContact CB-CE1 3.99Å; I22-Y53 HydrophobicContact CB-CE2 4.36Å; I22-Y53 HydrophobicContact CD1-CE1 4Å; I22-Y53 HydrophobicContact CG1-CE1 3.97Å; I22-Y53 HydrophobicContact CG2-CE2 4.09Å
23E95.3Very high93.7Very high101 Ų10151.4 Ų51.447%0.47226%0.259SS..Hα-helixtrans-71.2-39.3-179.5-63.9-53.2125.900111.5N21 K26 R27N21-E23 VanDerWaalsContact C-N 3.31Å; N21-E23 PolarHBondContact O-N 3.01Å; N21-E23 PolarHBondContact OD1-N 2.92Å; E23-K26 IonicContact OE1-NZ 3.85Å; E23-K26 PolarHBondContact OE1-NZ 3Å; E23-K26 IonicContact OE2-NZ 2.63Å; E23-R27 PolarHBondContact O-N 2.99Å
24E95.1Very high93.5Very high54 Ų5447.3 Ų47.325%0.25224%0.239SC..Hα-helixtrans-69.1-37.6172.9-176.862.8-17700111.7I14 N21 R27 L28I14-E24 HydrophobicContact CD1-CB 4.25Å; I14-E24 HydrophobicContact CD1-CG 3.57Å; N21-E24 HydrophobicContact CB-CB 4.11Å; N21-E24 PolarHBondContact O-N 2.97Å; N21-E24 PolarHBondContact OD1-N 3.42Å; N21-E24 VanDerWaalsContact OD1-N 3.12Å; E24-R27 WeakPolarHBondContact O-CB 3.46Å; E24-R27 PolarHBondContact O-N 3.47Å; E24-R27 IonicContact OE1-CZ 3.57Å; E24-R27 IonicContact OE1-NE 2.81Å; E24-R27 PolarHBondContact OE1-NE 2.92Å; E24-R27 IonicContact OE1-NH2 2.67Å; E24-R27 PolarHBondContact OE1-NH2 3.25Å; E24-R27 IonicContact OE2-CZ 3.98Å; E24-R27 IonicContact OE2-NE 2.74Å; E24-R27 PolarHBondContact OE2-NE 2.99Å; E24-R27 IonicContact OE2-NH2 3.02Å; E24-L28 HydrophobicContact CG-CD1 4.38Å; E24-L28 WeakPolarHBondContact O-CG 3.32Å; E24-L28 PolarHBondContact O-N 3.41Å
25L95.4Very high93Very high0 Ų052.1 Ų52.10%027%0.265CS..Hα-helixtrans-61.1-47.5175.3-169.562.4000111.2I14 I15 V20 N21 I22 R27 L28 S29 V43 F46I14-L25 HydrophobicContact CG2-CB 4.17Å; I14-L25 HydrophobicContact CG2-CD1 4.14Å; I15-L25 HydrophobicContact CD1-CD1 4.33Å; I15-L25 HydrophobicContact CG1-CD1 4.03Å; V20-L25 HydrophobicContact CG1-CD2 4.11Å; N21-L25 WeakPolarHBondContact O-CB 3.3Å; N21-L25 PolarHBondContact O-N 3.36Å; I22-L25 HydrophobicContact CD1-CD2 4.36Å; I22-L25 PolarHBondContact O-N 3.39Å; L25-R27 VanDerWaalsContact C-N 3.33Å; L25-R27 PolarHBondContact O-N 3.39Å; L25-L28 PolarHBondContact O-N 3.37Å; L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.33Å; L25-S29 PolarHBondContact O-OG 2.93Å; L25-V43 HydrophobicContact CD1-CG2 4.12Å; L25-F46 HydrophobicContact CD2-CB 3.96Å; L25-F46 HydrophobicContact CD2-CD2 4.08Å; L25-F46 HydrophobicContact CD2-CG 4.25Å
26K95.9Very high92.4Very high38 Ų3854.3 Ų54.317%0.16528%0.281CS..Hα-helixtrans-54.1-48.4172.6-77.6174.4-178.4169.10111.4I22 E23 L28 S29 I30 L47 S353I22-K26 WeakPolarHBondContact O-CB 3.18Å; I22-K26 VanDerWaalsContact O-CG 3.25Å; I22-K26 WeakPolarHBondContact O-CG 3.37Å; I22-K26 PolarHBondContact O-N 3.07Å; E23-K26 IonicContact OE1-NZ 3.85Å; E23-K26 PolarHBondContact OE1-NZ 3Å; E23-K26 IonicContact OE2-NZ 2.63Å; K26-L28 VanDerWaalsContact C-N 3.29Å; K26-L28 PolarHBondContact O-N 2.94Å; K26-S29 PolarHBondContact O-N 2.75Å; K26-I30 PolarHBondContact O-N 2.99Å; K26-L47 HydrophobicContact CG-CD2 3.65Å; K26-S353 VanDerWaalsContact CB-O 3.31Å; K26-S353 WeakPolarHBondContact CB-O 3.48Å; K26-S353 WeakPolarHBondContact CG-O 3.36Å; K26-S353 WeakPolarHBondContact O-CB 3.47Å
27R94.8Very high91.9Very high133 Ų13353.9 Ų53.950%0.50228%0.279SS..Hα-helixtrans-59.5-37.3179.5-165.9-168.367.772.7-2.3112.9E23 E24 L25 I30E23-R27 PolarHBondContact O-N 2.99Å; E24-R27 WeakPolarHBondContact O-CB 3.46Å; E24-R27 PolarHBondContact O-N 3.47Å; E24-R27 IonicContact OE1-CZ 3.57Å; E24-R27 IonicContact OE1-NE 2.81Å; E24-R27 PolarHBondContact OE1-NE 2.92Å; E24-R27 IonicContact OE1-NH2 2.67Å; E24-R27 PolarHBondContact OE1-NH2 3.25Å; E24-R27 IonicContact OE2-CZ 3.98Å; E24-R27 IonicContact OE2-NE 2.74Å; E24-R27 PolarHBondContact OE2-NE 2.99Å; E24-R27 IonicContact OE2-NH2 3.02Å; L25-R27 VanDerWaalsContact C-N 3.33Å; L25-R27 PolarHBondContact O-N 3.39Å; R27-I30 WeakPolarHBondContact O-CG2 3.46Å
28L94.2Very high91.9Very high8 Ų853.1 Ų53.14%0.04227%0.271CS..Hα-helixtrans-79.6-30.5179.4-66174.3000113.1R7 Q10 M11 I14 E24 L25 K26R7-L28 HydrophobicContact CG-CD2 4.26Å; R7-L28 PolarHBondContact NH1-O 3.37Å; R7-L28 VanDerWaalsContact NH1-O 3.07Å; Q10-L28 HydrophobicContact CB-CD1 3.82Å; M11-L28 HydrophobicContact CG-CB 3.77Å; M11-L28 HydrophobicContact CG-CD1 3.91Å; M11-L28 HydrophobicContact CG-CG 4.48Å; M11-L28 HydrophobicContact SD-CB 4.31Å; I14-L28 HydrophobicContact CD1-CD1 3.52Å; E24-L28 HydrophobicContact CG-CD1 4.38Å; E24-L28 WeakPolarHBondContact O-CG 3.32Å; E24-L28 PolarHBondContact O-N 3.41Å; L25-L28 PolarHBondContact O-N 3.37Å; K26-L28 VanDerWaalsContact C-N 3.29Å; K26-L28 PolarHBondContact O-N 2.94Å
29S94.7Very high92Very high0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-83.3-17.2-178.8-710000114.4M11 L25 K26 D31 G32 V43 S353M11-S29 WeakPolarHBondContact CE-OG 3.15Å; L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.33Å; L25-S29 PolarHBondContact O-OG 2.93Å; K26-S29 PolarHBondContact O-N 2.75Å; S29-D31 PolarHBondContact O-N 3.27Å; S29-D31 VanDerWaalsContact O-N 3.17Å; S29-G32 WeakPolarHBondContact O-CA 3.32Å; S29-G32 PolarHBondContact O-N 3.48Å; S29-V43 VanDerWaalsContact OG-CG1 3.31Å; S29-V43 WeakPolarHBondContact OG-CG1 3.43Å; S29-S353 WeakPolarHBondContact CB-OG 3.38Å
30I93.5Very high92.1Very high22 Ų2242.2 Ų42.211%0.11322%0.215CC..THydrogen-bonded Turntrans-61.4-25.9-174.6-158.7167.5000114.7K26 R27 G32 T350K26-I30 PolarHBondContact O-N 2.99Å; R27-I30 WeakPolarHBondContact O-CG2 3.46Å; I30-G32 VanDerWaalsContact C-N 3.33Å; I30-T350 HydrophobicContact CG1-CG2 4.05Å; I30-T350 WeakPolarHBondContact O-CG2 3.46Å; I30-T350 PolarHBondContact O-OG1 3.17Å
31D91.4Very high92.2Very high65 Ų6541.9 Ų41.935%0.34821%0.213SC..THydrogen-bonded Turntrans-99.225.3176.1-59.3-42.4000111.5R7 S29 R405R7-D31 PolarHBondContact NH1-O 3.05Å; S29-D31 PolarHBondContact O-N 3.27Å; S29-D31 VanDerWaalsContact O-N 3.17Å; D31-R405 IonicContact OD1-CZ 3.39Å; D31-R405 IonicContact OD1-NH1 3.82Å; D31-R405 PolarHBondContact OD1-NH1 3.37Å
32G92.9Very high92.2Very high3 Ų339 Ų393%0.03120%0.197CC..  trans90.5140.5-178.100000114.1R7 S29 I30R7-G32 VanDerWaalsContact CZ-O 3.29Å; R7-G32 PolarHBondContact NH1-O 2.74Å; R7-G32 PolarHBondContact NH2-O 2.85Å; S29-G32 WeakPolarHBondContact O-CA 3.32Å; S29-G32 PolarHBondContact O-N 3.48Å; I30-G32 VanDerWaalsContact C-N 3.33Å
33C93.1Very high92.3Very high8 Ų838.1 Ų38.15%0.05419%0.192CC..  trans-79.9146.3173-63.90000110.5M11 R40 D349M11-C33 HydrophobicContact CE-CB 4.4Å; C33-R40 HydrophobicContact CB-CB 3.88Å; C33-R40 HydrophobicContact CB-CG 4.06Å; C33-R40 PolarHBondContact O-NH2 3.23Å; C33-D349 WeakPolarHBondContact CB-OD2 3.31Å; C33-D349 PolarHBondContact N-OD2 3.35Å; C33-D349 VanDerWaalsContact SG-CG 3.58Å; C33-D349 PolarHBondContact SG-OD1 2.89Å
34P88.3Confident92.4Very high25 Ų2533.3 Ų33.316%0.16217%0.169CC..  trans-63.6142.5166.7-19.331.6000111.7H8 M11 S36H8-P34 HydrophobicContact CB-CG 4.41Å; M11-P34 HydrophobicContact SD-CG 4.32Å; P34-S36 PolarHBondContact O-N 3.32Å
35D81.6Confident92.5Very high130 Ų13030.7 Ų30.770%0.69516%0.157SC*.SBendtrans-74.1-12.8175-60.3-46.8000113.6R40D35-R40 IonicContact OD1-CZ 3.63Å; D35-R40 IonicContact OD1-NH1 2.75Å; D35-R40 PolarHBondContact OD1-NH1 3.35Å; D35-R40 IonicContact OD1-NH2 3.53Å; D35-R40 PolarHBondContact OD1-NH2 3.21Å
36S80.6Confident92.6Very high51 Ų5130.9 Ų30.936%0.35716%0.158SC..G310 helixtrans-82.6154.8-175.548.30000112.8H8 P34 G38 I39H8-S36 PolarHBondContact CE1-OG 3.07Å; P34-S36 PolarHBondContact O-N 3.32Å; S36-G38 PolarHBondContact O-N 3.04Å; S36-I39 WeakPolarHBondContact O-CG1 3.13Å; S36-I39 PolarHBondContact O-N 3.44Å
37N82Confident92.7Very high96 Ų9629.3 Ų29.351%0.51315%0.151SC..G310 helixtrans58.320.8171-60.3-28.9000115.9H8 I39H8-N37 PolarHBondContact CE1-ND2 3.42Å; H8-N37 PolarHBondContact NE2-ND2 3.21Å; N37-I39 HydrophobicContact CB-CD1 4.45Å; N37-I39 HydrophobicContact CB-CG1 4.32Å; N37-I39 PolarHBondContact O-N 3.03Å
38G90.2Very high92.8Very high7 Ų723 Ų237%0.07213%0.127CC..G310 helixtrans66.720.7179.300000113.2S36 R40 S41 K42 P255S36-G38 PolarHBondContact O-N 3.04Å; G38-R40 PolarHBondContact O-N 3.26Å; G38-S41 WeakPolarHBondContact O-CB 3.45Å; G38-S41 PolarHBondContact O-N 2.87Å; G38-K42 PolarHBondContact O-N 3.46Å; G38-K42 VanDerWaalsContact O-N 3.14Å; G38-P255 VanDerWaalsContact CA-CD 3.48Å
39I94.5Very high92.9Very high0 Ų026.7 Ų26.70%015%0.147CC..Hα-helixtrans-61.3-49.4-175.4-72.6172.5000110.8H8 M11 L12 I15 S36 N37 S41 K42 V43H8-I39 WeakPolarHBondContact CD2-CD1 3.3Å; H8-I39 WeakPolarHBondContact NE2-CD1 3.36Å; M11-I39 HydrophobicContact CB-CG2 4.35Å; M11-I39 HydrophobicContact CE-CG2 3.64Å; M11-I39 HydrophobicContact SD-CG2 4.31Å; L12-I39 HydrophobicContact CD1-CD1 4.3Å; L12-I39 HydrophobicContact CD2-CD1 3.81Å; L12-I39 HydrophobicContact CD2-CG1 3.67Å; L12-I39 HydrophobicContact CG-CD1 3.76Å; L12-I39 HydrophobicContact CG-CG1 4.18Å; I15-I39 HydrophobicContact CD1-CG2 4.12Å; S36-I39 WeakPolarHBondContact O-CG1 3.13Å; S36-I39 PolarHBondContact O-N 3.44Å; N37-I39 HydrophobicContact CB-CD1 4.45Å; N37-I39 HydrophobicContact CB-CG1 4.32Å; N37-I39 PolarHBondContact O-N 3.03Å; I39-S41 VanDerWaalsContact C-N 3.26Å; I39-S41 PolarHBondContact O-N 3.16Å; I39-K42 PolarHBondContact O-N 3.16Å; I39-K42 VanDerWaalsContact O-N 3.13Å; I39-V43 HydrophobicContact CG2-CG2 3.78Å; I39-V43 WeakPolarHBondContact O-CB 3.35Å; I39-V43 WeakPolarHBondContact O-CG2 3.35Å; I39-V43 PolarHBondContact O-N 3Å
40R96.4Very high93.1Very high24 Ų2426.8 Ų26.89%0.09115%0.148CC..Hα-helixtrans-55.6-44178.8-170.5175.4-61.5102.7-1.6111.9C33 D35 G38 K42 V43 W44 V250 D349C33-R40 HydrophobicContact CB-CB 3.88Å; C33-R40 HydrophobicContact CB-CG 4.06Å; C33-R40 PolarHBondContact O-NH2 3.23Å; D35-R40 IonicContact OD1-CZ 3.63Å; D35-R40 IonicContact OD1-NH1 2.75Å; D35-R40 PolarHBondContact OD1-NH1 3.35Å; D35-R40 IonicContact OD1-NH2 3.53Å; D35-R40 PolarHBondContact OD1-NH2 3.21Å; G38-R40 PolarHBondContact O-N 3.26Å; R40-K42 PolarHBondContact O-N 2.96Å; R40-V43 PolarHBondContact O-N 3.41Å; R40-W44 HydrophobicContact CG-CD2 4.21Å; R40-W44 HydrophobicContact CG-CG 4.17Å; R40-W44 HydrophobicContact CG-CZ2 4.37Å; R40-W44 WeakPolarHBondContact O-CB 3.11Å; R40-W44 PolarHBondContact O-N 3.33Å; R40-V250 HydrophobicContact CB-CG1 4.23Å; R40-V250 HydrophobicContact CG-CG1 3.96Å; R40-D349 WeakPolarHBondContact CD-OD1 3.48Å; R40-D349 WeakPolarHBondContact CG-OD1 3.43Å; R40-D349 IonicContact CZ-OD2 3.94Å; R40-D349 IonicContact NE-OD1 2.99Å; R40-D349 PolarHBondContact NE-OD1 3.25Å; R40-D349 IonicContact NE-OD2 3.4Å; R40-D349 PolarHBondContact NE-OD2 2.87Å; R40-D349 IonicContact NH2-OD2 3.23Å; R40-D349 PolarHBondContact NH2-OD2 3.31Å
41S96.3Very high93.2Very high2 Ų226.2 Ų26.21%0.01415%0.145CC..Hα-helixtrans-56.5-48.2177.1164.40000112.2G38 I39 K45 F251 D254G38-S41 WeakPolarHBondContact O-CB 3.45Å; G38-S41 PolarHBondContact O-N 2.87Å; I39-S41 VanDerWaalsContact C-N 3.26Å; I39-S41 PolarHBondContact O-N 3.16Å; S41-K45 VanDerWaalsContact O-CG 3.25Å; S41-K45 WeakPolarHBondContact O-CG 3.47Å; S41-K45 PolarHBondContact O-N 3.01Å; S41-K45 PolarHBondContact OG-NZ 3.19Å; S41-F251 WeakPolarHBondContact O-CE1 3.3Å; S41-D254 WeakPolarHBondContact CB-OD2 3.43Å; S41-D254 PolarHBondContact OG-OD2 2.65Å
42K95.4Very high93.4Very high33 Ų3324.8 Ų24.814%0.14314%0.139CC..Hα-helixtrans-70-41.9178-66179.8-176.6176.80112.4I15 G38 I39 R40 K45 F46I15-K42 HydrophobicContact CD1-CB 4.36Å; I15-K42 HydrophobicContact CG2-CB 3.75Å; I15-K42 HydrophobicContact CG2-CD 3.63Å; I15-K42 HydrophobicContact CG2-CG 4.28Å; G38-K42 PolarHBondContact O-N 3.46Å; G38-K42 VanDerWaalsContact O-N 3.14Å; I39-K42 PolarHBondContact O-N 3.16Å; I39-K42 VanDerWaalsContact O-N 3.13Å; R40-K42 PolarHBondContact O-N 2.96Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 2.91Å; K42-F46 WeakPolarHBondContact O-CD2 3.48Å; K42-F46 PolarHBondContact O-N 2.88Å
43V96.7Very high93.5Very high0 Ų029.1 Ų29.10%016%0.155CC..Hα-helixtrans-58.3-51.4176.9170.50000110.5M11 I15 L25 S29 I39 R40 K45 F46 L47M11-V43 HydrophobicContact CE-CG2 3.64Å; I15-V43 HydrophobicContact CD1-CG2 3.65Å; L25-V43 HydrophobicContact CD1-CG2 4.12Å; S29-V43 VanDerWaalsContact OG-CG1 3.31Å; S29-V43 WeakPolarHBondContact OG-CG1 3.43Å; I39-V43 HydrophobicContact CG2-CG2 3.78Å; I39-V43 WeakPolarHBondContact O-CB 3.35Å; I39-V43 WeakPolarHBondContact O-CG2 3.35Å; I39-V43 PolarHBondContact O-N 3Å; R40-V43 PolarHBondContact O-N 3.41Å; V43-K45 VanDerWaalsContact C-N 3.26Å; V43-K45 PolarHBondContact O-N 2.88Å; V43-F46 WeakPolarHBondContact O-CA 3.49Å; V43-F46 WeakPolarHBondContact O-CB 3.36Å; V43-F46 PolarHBondContact O-N 3.37Å; V43-L47 HydrophobicContact CG1-CD1 3.5Å; V43-L47 VanDerWaalsContact CG1-CD1 3.5Å; V43-L47 HydrophobicContact CG1-CG 3.86Å; V43-L47 WeakPolarHBondContact O-CG 3.34Å; V43-L47 PolarHBondContact O-N 3.21Å
44W97.8Very high93.6Very high0 Ų031.1 Ų31.10%017%0.165CC..Hα-helixtrans-60.5-38.7-179.4-79.624.7000111.5R40 F46 L47 L48 I247 V250 F251 L345 W348 D349 F352R40-W44 HydrophobicContact CG-CD2 4.21Å; R40-W44 HydrophobicContact CG-CG 4.17Å; R40-W44 HydrophobicContact CG-CZ2 4.37Å; R40-W44 WeakPolarHBondContact O-CB 3.11Å; R40-W44 PolarHBondContact O-N 3.33Å; W44-F46 PolarHBondContact O-N 2.99Å; W44-L47 PolarHBondContact O-N 3.05Å; W44-L48 HydrophobicContact CB-CD1 4.49Å; W44-L48 VanDerWaalsContact O-CB 3.22Å; W44-L48 WeakPolarHBondContact O-CB 3.32Å; W44-L48 WeakPolarHBondContact O-CG 3.32Å; W44-L48 PolarHBondContact O-N 3.19Å; W44-I247 HydrophobicContact CE3-CG1 4.48Å; W44-I247 HydrophobicContact CZ3-CB 4.48Å; W44-I247 HydrophobicContact CZ3-CG1 4.14Å; W44-V250 HydrophobicContact CD2-CG1 4.47Å; W44-V250 HydrophobicContact CE3-CB 4.25Å; W44-V250 HydrophobicContact CE3-CG1 4.31Å; W44-V250 HydrophobicContact CE3-CG2 4.17Å; W44-V250 HydrophobicContact CH2-CG2 4.02Å; W44-V250 HydrophobicContact CZ2-CG2 4.49Å; W44-V250 HydrophobicContact CZ3-CB 4.3Å; W44-V250 HydrophobicContact CZ3-CG2 3.84Å; W44-F251 HydrophobicContact CB-CE1 4.06Å; W44-F251 HydrophobicContact CB-CZ 4.33Å; W44-L345 HydrophobicContact CH2-CD2 3.55Å; W44-L345 HydrophobicContact CZ2-CD2 4.12Å; W44-L345 HydrophobicContact CZ3-CD2 4.34Å; W44-W348 HydrophobicContact CH2-CB 3.97Å; W44-W348 HydrophobicContact CH2-CD2 4.36Å; W44-W348 AromaticContact CH2-CE3 3.61Å; W44-W348 HydrophobicContact CH2-CE3 3.61Å; W44-W348 HydrophobicContact CH2-CZ3 4.44Å; W44-W348 HydrophobicContact CZ2-CB 3.68Å; W44-W348 HydrophobicContact CZ2-CE3 4.42Å; W44-W348 AromaticContact CZ3-CE3 3.94Å; W44-W348 HydrophobicContact CZ3-CE3 3.94Å; W44-W348 HydrophobicContact CZ3-CZ3 4.44Å; W44-D349 PolarHBondContact NE1-OD1 2.88Å; W44-F352 HydrophobicContact CD2-CD2 4.14Å; W44-F352 AromaticContact CD2-CE2 3.92Å; W44-F352 HydrophobicContact CD2-CE2 3.92Å; W44-F352 AromaticContact CE2-CD2 4Å; W44-F352 AromaticContact CE2-CE2 3.93Å; W44-F352 HydrophobicContact CE3-CE2 4.06Å; W44-F352 HydrophobicContact CG-CD2 4.3Å; W44-F352 HydrophobicContact CG-CE2 4.47Å; W44-F352 HydrophobicContact CH2-CE2 4.23Å; W44-F352 HydrophobicContact CZ2-CD2 4.46Å; W44-F352 HydrophobicContact CZ2-CE2 4.11Å; W44-F352 HydrophobicContact CZ3-CE2 4.21Å
45K97.8Very high93.9Very high0 Ų032.6 Ų32.60%017%0.174CC..Hα-helixtrans-59.8-32.8173.4-74.2177.5179.4720113S41 K42 V43 Y50 L51 F251 W259 D266S41-K45 VanDerWaalsContact O-CG 3.25Å; S41-K45 WeakPolarHBondContact O-CG 3.47Å; S41-K45 PolarHBondContact O-N 3.01Å; S41-K45 PolarHBondContact OG-NZ 3.19Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 2.91Å; V43-K45 VanDerWaalsContact C-N 3.26Å; V43-K45 PolarHBondContact O-N 2.88Å; K45-Y50 HydrophobicContact CB-CD1 3.99Å; K45-Y50 HydrophobicContact CD-CD1 3.95Å; K45-Y50 HydrophobicContact CD-CE1 4.21Å; K45-Y50 HydrophobicContact CG-CD1 3.78Å; K45-Y50 HydrophobicContact CG-CE1 4.48Å; K45-Y50 WeakPolarHBondContact O-CA 3.17Å; K45-Y50 VanDerWaalsContact O-CB 3.32Å; K45-Y50 WeakPolarHBondContact O-CB 3.35Å; K45-Y50 PolarHBondContact O-N 3.42Å; K45-L51 HydrophobicContact CB-CD1 3.6Å; K45-L51 HydrophobicContact CB-CG 3.83Å; K45-L51 HydrophobicContact CD-CD1 4.06Å; K45-L51 HydrophobicContact CD-CG 4.48Å; K45-L51 HydrophobicContact CG-CD1 4.48Å; K45-L51 PolarHBondContact O-N 3.14Å; K45-F251 HydrophobicContact CG-CE1 3.91Å; K45-F251 HydrophobicContact CG-CE2 4.35Å; K45-F251 HydrophobicContact CG-CZ 3.71Å; K45-W259 HydrophobicContact CD-CE3 4.04Å; K45-W259 HydrophobicContact CD-CH2 4.47Å; K45-W259 HydrophobicContact CD-CZ3 3.83Å; K45-D266 WeakPolarHBondContact CE-OD2 3.42Å
46F97.2Very high94.5Very high4 Ų432.5 Ų32.52%0.01817%0.173CC..Hα-helixtrans-77.2-46.5170.9-72.3-67.7000112.6I15 V20 I22 L25 K42 V43 W44 L48 N49 L51 Y53I15-F46 HydrophobicContact CG1-CE2 4.44Å; I15-F46 HydrophobicContact CG2-CE2 4.16Å; V20-F46 HydrophobicContact CB-CE1 4.19Å; V20-F46 HydrophobicContact CB-CZ 4.44Å; V20-F46 HydrophobicContact CG1-CD1 4.21Å; V20-F46 HydrophobicContact CG1-CE1 4.32Å; V20-F46 HydrophobicContact CG1-CG 4.34Å; V20-F46 HydrophobicContact CG2-CD1 4.44Å; V20-F46 HydrophobicContact CG2-CE1 3.74Å; V20-F46 HydrophobicContact CG2-CE2 4.1Å; V20-F46 HydrophobicContact CG2-CZ 3.55Å; I22-F46 HydrophobicContact CD1-CB 4.12Å; L25-F46 HydrophobicContact CD2-CB 3.96Å; L25-F46 HydrophobicContact CD2-CD2 4.08Å; L25-F46 HydrophobicContact CD2-CG 4.25Å; K42-F46 WeakPolarHBondContact O-CD2 3.48Å; K42-F46 PolarHBondContact O-N 2.88Å; V43-F46 WeakPolarHBondContact O-CA 3.49Å; V43-F46 WeakPolarHBondContact O-CB 3.36Å; V43-F46 PolarHBondContact O-N 3.37Å; W44-F46 PolarHBondContact O-N 2.99Å; F46-L48 PolarHBondContact O-N 2.84Å; F46-N49 PolarHBondContact O-N 3.27Å; F46-L51 HydrophobicContact CD1-CB 3.63Å; F46-L51 WeakPolarHBondContact CD1-O 3.35Å; F46-L51 HydrophobicContact CD2-CD1 4.4Å; F46-L51 HydrophobicContact CE1-CB 3.45Å; F46-L51 VanDerWaalsContact CE1-CB 3.45Å; F46-L51 HydrophobicContact CE1-CD1 4.27Å; F46-L51 HydrophobicContact CE2-CD1 4Å; F46-L51 HydrophobicContact CG-CB 4.28Å; F46-L51 HydrophobicContact CZ-CB 3.97Å; F46-L51 HydrophobicContact CZ-CD1 3.92Å; F46-Y53 HydrophobicContact CD1-CD1 4.19Å
47L97.3Very high95.1Very high4 Ų436.1 Ų36.12%0.02118%0.183CC..Hα-helixtrans-68.9-21.4-177.1-63-179.2000113.6I22 K26 V43 W44 F352 S353 R357I22-L47 HydrophobicContact CD1-CD2 3.98Å; K26-L47 HydrophobicContact CG-CD2 3.65Å; V43-L47 HydrophobicContact CG1-CD1 3.5Å; V43-L47 VanDerWaalsContact CG1-CD1 3.5Å; V43-L47 HydrophobicContact CG1-CG 3.86Å; V43-L47 WeakPolarHBondContact O-CG 3.34Å; V43-L47 PolarHBondContact O-N 3.21Å; W44-L47 PolarHBondContact O-N 3.05Å; L47-F352 HydrophobicContact CB-CB 3.95Å; L47-F352 HydrophobicContact CD1-CB 3.75Å; L47-F352 HydrophobicContact CG-CB 4.48Å; L47-S353 WeakPolarHBondContact CD1-OG 3.5Å; L47-R357 PolarHBondContact O-NH1 2.89Å; L47-R357 PolarHBondContact O-NH2 2.85Å
48L97.8Very high95.7Very high0 Ų032.9 Ų32.90%016%0.163CC..THydrogen-bonded Turntrans-100.918.2173.7-60175.9000111.8W44 F46 Y50 I247 C270 N273 L274 F352W44-L48 HydrophobicContact CB-CD1 4.49Å; W44-L48 VanDerWaalsContact O-CB 3.22Å; W44-L48 WeakPolarHBondContact O-CB 3.32Å; W44-L48 WeakPolarHBondContact O-CG 3.32Å; W44-L48 PolarHBondContact O-N 3.19Å; F46-L48 PolarHBondContact O-N 2.84Å; L48-Y50 PolarHBondContact O-N 3.17Å; L48-Y50 VanDerWaalsContact O-N 3.11Å; L48-I247 HydrophobicContact CD1-CD1 4.3Å; L48-C270 HydrophobicContact CB-CB 4.15Å; L48-C270 HydrophobicContact CD1-CB 3.79Å; L48-N273 WeakPolarHBondContact O-CB 3.49Å; L48-N273 PolarHBondContact O-ND2 2.6Å; L48-L274 HydrophobicContact CD2-CB 4.23Å; L48-L274 HydrophobicContact CD2-CD1 4.33Å; L48-F352 HydrophobicContact CD1-CE2 4.16Å; L48-F352 HydrophobicContact CD1-CZ 4.48Å; L48-F352 HydrophobicContact CD2-CD1 4.09Å; L48-F352 HydrophobicContact CD2-CD2 4.22Å; L48-F352 HydrophobicContact CD2-CE1 3.97Å; L48-F352 HydrophobicContact CD2-CE2 4.09Å; L48-F352 HydrophobicContact CD2-CG 4.22Å; L48-F352 HydrophobicContact CD2-CZ 3.97Å; L48-F352 HydrophobicContact CG-CD2 4.45Å; L48-F352 HydrophobicContact CG-CE2 4.37Å
49N96.4Very high96Very high87 Ų8738.4 Ų38.447%0.46519%0.187SC..THydrogen-bonded Turntrans5728.5172.9-57.2-51.8000114.9F46 N273F46-N49 PolarHBondContact O-N 3.27Å; N49-N273 PolarHBondContact O-ND2 3.29Å
50Y97.2Very high96Very high2 Ų245.2 Ų45.21%0.00822%0.219CC..  trans-82.2-46.4174.9176.3-116.5000111.5K45 L48 N65 D266 Y269 C270K45-Y50 HydrophobicContact CB-CD1 3.99Å; K45-Y50 HydrophobicContact CD-CD1 3.95Å; K45-Y50 HydrophobicContact CD-CE1 4.21Å; K45-Y50 HydrophobicContact CG-CD1 3.78Å; K45-Y50 HydrophobicContact CG-CE1 4.48Å; K45-Y50 WeakPolarHBondContact O-CA 3.17Å; K45-Y50 VanDerWaalsContact O-CB 3.32Å; K45-Y50 WeakPolarHBondContact O-CB 3.35Å; K45-Y50 PolarHBondContact O-N 3.42Å; L48-Y50 PolarHBondContact O-N 3.17Å; L48-Y50 VanDerWaalsContact O-N 3.11Å; Y50-N65 HydrophobicContact CE2-CB 4.05Å; Y50-N65 VanDerWaalsContact CE2-ND2 3.27Å; Y50-N65 WeakPolarHBondContact CE2-ND2 3.35Å; Y50-D266 HydrophobicContact CE1-CB 3.95Å; Y50-D266 VanDerWaalsContact CZ-OD1 3.28Å; Y50-D266 PolarHBondContact OH-OD1 2.96Å; Y50-Y269 HydrophobicContact CD2-CG 4.26Å; Y50-Y269 HydrophobicContact CE2-CD2 4.08Å; Y50-Y269 HydrophobicContact CE2-CG 4.08Å; Y50-C270 WeakPolarHBondContact CB-SG 3.4Å
51L96.5Very high96Very high9 Ų949.1 Ų49.15%0.04723%0.234CC..SBendtrans-93.6127.3179.9-68.9174.6000112K45 F46 I62 W259K45-L51 HydrophobicContact CB-CD1 3.6Å; K45-L51 HydrophobicContact CB-CG 3.83Å; K45-L51 HydrophobicContact CD-CD1 4.06Å; K45-L51 HydrophobicContact CD-CG 4.48Å; K45-L51 HydrophobicContact CG-CD1 4.48Å; K45-L51 PolarHBondContact O-N 3.14Å; F46-L51 HydrophobicContact CD1-CB 3.63Å; F46-L51 WeakPolarHBondContact CD1-O 3.35Å; F46-L51 HydrophobicContact CD2-CD1 4.4Å; F46-L51 HydrophobicContact CE1-CB 3.45Å; F46-L51 VanDerWaalsContact CE1-CB 3.45Å; F46-L51 HydrophobicContact CE1-CD1 4.27Å; F46-L51 HydrophobicContact CE2-CD1 4Å; F46-L51 HydrophobicContact CG-CB 4.28Å; F46-L51 HydrophobicContact CZ-CB 3.97Å; F46-L51 HydrophobicContact CZ-CD1 3.92Å; L51-I62 HydrophobicContact CD2-CD1 3.62Å; L51-I62 HydrophobicContact CD2-CG1 3.68Å; L51-W259 HydrophobicContact CD1-CH2 4.26Å; L51-W259 HydrophobicContact CD2-CH2 4.07Å
52P96.2Very high96.1Very high35 Ų3549.4 Ų49.423%0.22724%0.235CC..  trans-61.8144.7168.9-21.432.6000112.3N54 K57 R58 R61P52-N54 VanDerWaalsContact C-N 3.34Å; P52-N54 PolarHBondContact O-N 3.22Å; P52-K57 HydrophobicContact CB-CB 4.16Å; P52-K57 HydrophobicContact CG-CB 4.34Å; P52-R58 HydrophobicContact CB-CG 4.5Å; P52-R58 VanDerWaalsContact O-CG 3.29Å; P52-R58 WeakPolarHBondContact O-CG 3.49Å; P52-R58 PolarHBondContact O-NE 2.81Å; P52-R58 VanDerWaalsContact O-NE 3.15Å; P52-R61 HydrophobicContact CG-CB 3.68Å; P52-R61 HydrophobicContact CG-CG 3.82Å
53Y95.4Very high96.1Very high94 Ų9451.5 Ų51.537%0.36925%0.251SS..SBendtrans-67.3-34.5-180-50.5-32.9000112.9N19 V20 I22 F46 R58N19-Y53 WeakPolarHBondContact CA-O 3.45Å; V20-Y53 PolarHBondContact N-O 3.01Å; I22-Y53 HydrophobicContact CB-CD1 4.44Å; I22-Y53 HydrophobicContact CB-CE1 3.99Å; I22-Y53 HydrophobicContact CB-CE2 4.36Å; I22-Y53 HydrophobicContact CD1-CE1 4Å; I22-Y53 HydrophobicContact CG1-CE1 3.97Å; I22-Y53 HydrophobicContact CG2-CE2 4.09Å; F46-Y53 HydrophobicContact CD1-CD1 4.19Å; Y53-R58 PolarHBondContact O-NH2 3.25Å
54N94.1Very high96.2Very high51 Ų5156.9 Ų56.927%0.27327%0.274SS..BIsolated β-bridgetrans-82.3125.4175.4-179.9-35000110.4N19 P52 D56 K57 R58N19-N54 WeakPolarHBondContact OD1-CA 3.36Å; N19-N54 WeakPolarHBondContact OD1-CB 3.48Å; P52-N54 VanDerWaalsContact C-N 3.34Å; P52-N54 PolarHBondContact O-N 3.22Å; N54-D56 VanDerWaalsContact C-N 3.31Å; N54-D56 PolarHBondContact O-N 2.95Å; N54-D56 VanDerWaalsContact OD1-CB 3.32Å; N54-D56 WeakPolarHBondContact OD1-CB 3.31Å; N54-D56 PolarHBondContact OD1-N 3.25Å; N54-D56 PolarHBondContact OD1-OD2 3.11Å; N54-K57 PolarHBondContact O-N 3.46Å; N54-R58 WeakPolarHBondContact O-CG 3.31Å
55V94.3Very high96.2Very high55 Ų5557 Ų5733%0.33328%0.275SS..G310 helixtrans-55.8-38.1-179.268.40000113.9E18 K57 R58E18-V55 HydrophobicContact CB-CG1 4.07Å; E18-V55 HydrophobicContact CG-CG1 4.36Å; E18-V55 WeakPolarHBondContact O-CB 3.42Å; E18-V55 WeakPolarHBondContact O-CG1 3.46Å; E18-V55 PolarHBondContact O-N 3.05Å; V55-K57 PolarHBondContact O-N 3.08Å; V55-R58 WeakPolarHBondContact O-CB 3.42Å; V55-R58 PolarHBondContact O-N 3.07Å
56D93.7Very high96.1Very high129 Ų12958.6 Ų58.669%0.6928%0.281SS*.G310 helixtrans-62.6-31.6-175.4-58.7-33.8000111.8N54N54-D56 VanDerWaalsContact C-N 3.31Å; N54-D56 PolarHBondContact O-N 2.95Å; N54-D56 VanDerWaalsContact OD1-CB 3.32Å; N54-D56 WeakPolarHBondContact OD1-CB 3.31Å; N54-D56 PolarHBondContact OD1-N 3.25Å; N54-D56 PolarHBondContact OD1-OD2 3.11Å
57K94.6Very high96Very high127 Ų12767.5 Ų67.555%0.55231%0.314SS*.G310 helixtrans-90.8-11.3-179.9-60.1-174.2-179.6-177.30113.2P52 N54 V55 R61P52-K57 HydrophobicContact CB-CB 4.16Å; P52-K57 HydrophobicContact CG-CB 4.34Å; N54-K57 PolarHBondContact O-N 3.46Å; V55-K57 PolarHBondContact O-N 3.08Å; K57-R61 WeakPolarHBondContact O-CB 3.29Å; K57-R61 PolarHBondContact O-N 3.48Å
58R94.9Very high96Very high28 Ų2871 Ų7111%0.10633%0.331CS..Hα-helixtrans-64.8-51.4-173.5-69.8179.4-160.3147.912.6111.1G17 E18 V20 P52 Y53 N54 V55 E60 R61 I62G17-R58 PolarHBondContact O-NH1 3.39Å; G17-R58 PolarHBondContact O-NH2 2.63Å; E18-R58 PolarHBondContact O-NH2 3.33Å; V20-R58 VanDerWaalsContact CG2-NH2 3.28Å; P52-R58 HydrophobicContact CB-CG 4.5Å; P52-R58 VanDerWaalsContact O-CG 3.29Å; P52-R58 WeakPolarHBondContact O-CG 3.49Å; P52-R58 PolarHBondContact O-NE 2.81Å; P52-R58 VanDerWaalsContact O-NE 3.15Å; Y53-R58 PolarHBondContact O-NH2 3.25Å; N54-R58 WeakPolarHBondContact O-CG 3.31Å; V55-R58 WeakPolarHBondContact O-CB 3.42Å; V55-R58 PolarHBondContact O-N 3.07Å; R58-E60 VanDerWaalsContact C-N 3.34Å; R58-E60 PolarHBondContact O-N 3.4Å; R58-R61 PolarHBondContact O-N 3.21Å; R58-I62 HydrophobicContact CB-CD1 4.49Å; R58-I62 WeakPolarHBondContact O-CB 3.45Å; R58-I62 WeakPolarHBondContact O-CD1 3.38Å; R58-I62 WeakPolarHBondContact O-CG1 3.37Å; R58-I62 PolarHBondContact O-N 3.42Å
59Q94.9Very high95.9Very high122 Ų12271 Ų7157%0.5733%0.331SS*.Hα-helixtrans-64.4-42-175.4-171.256.556.300111.6I62 T63Q59-I62 PolarHBondContact O-N 3.42Å; Q59-T63 PolarHBondContact NE2-OG1 2.78Å; Q59-T63 VanDerWaalsContact NE2-OG1 3.07Å; Q59-T63 WeakPolarHBondContact O-CB 3.47Å; Q59-T63 PolarHBondContact O-N 3.45Å; Q59-T63 PolarHBondContact O-OG1 3.1Å; Q59-T63 VanDerWaalsContact O-OG1 3.08Å
60E96.1Very high95.7Very high143 Ų14369.8 Ų69.867%0.66832%0.322SS*.Hα-helixtrans-57.8-50.4174.7-175.8-173.5-17600111.2R58 I62 T63 F64R58-E60 VanDerWaalsContact C-N 3.34Å; R58-E60 PolarHBondContact O-N 3.4Å; E60-I62 PolarHBondContact O-N 3.26Å; E60-T63 PolarHBondContact O-N 2.88Å; E60-F64 VanDerWaalsContact O-CB 3.29Å; E60-F64 WeakPolarHBondContact O-CB 3.4Å; E60-F64 PolarHBondContact O-N 2.94Å
61R96.4Very high95.5Very high107 Ų10771.2 Ų71.240%0.40434%0.338SS..Hα-helixtrans-61.6-44.7179.9-177.859.2160.6-174.4-1.8112.4P52 K57 R58 F64 N65P52-R61 HydrophobicContact CG-CB 3.68Å; P52-R61 HydrophobicContact CG-CG 3.82Å; K57-R61 WeakPolarHBondContact O-CB 3.29Å; K57-R61 PolarHBondContact O-N 3.48Å; R58-R61 PolarHBondContact O-N 3.21Å; R61-F64 PolarHBondContact O-N 3.14Å; R61-N65 VanDerWaalsContact O-CB 3.31Å; R61-N65 WeakPolarHBondContact O-CB 3.38Å; R61-N65 VanDerWaalsContact O-CG 3.28Å; R61-N65 PolarHBondContact O-N 2.87Å
62I96.7Very high95.3Very high8 Ų873.7 Ų73.74%0.04135%0.347CS..Hα-helixtrans-61.2-51178.4-69.1162.5000109.9L51 R58 Q59 E60 F64 N65 R66 W259L51-I62 HydrophobicContact CD2-CD1 3.62Å; L51-I62 HydrophobicContact CD2-CG1 3.68Å; R58-I62 HydrophobicContact CB-CD1 4.49Å; R58-I62 WeakPolarHBondContact O-CB 3.45Å; R58-I62 WeakPolarHBondContact O-CD1 3.38Å; R58-I62 WeakPolarHBondContact O-CG1 3.37Å; R58-I62 PolarHBondContact O-N 3.42Å; Q59-I62 PolarHBondContact O-N 3.42Å; E60-I62 PolarHBondContact O-N 3.26Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 3.17Å; I62-N65 PolarHBondContact O-N 2.93Å; I62-R66 HydrophobicContact CG2-CG 4.34Å; I62-R66 WeakPolarHBondContact O-CB 3.47Å; I62-R66 VanDerWaalsContact O-CG 3.26Å; I62-R66 WeakPolarHBondContact O-CG 3.23Å; I62-R66 PolarHBondContact O-N 3.28Å; I62-W259 HydrophobicContact CD1-CH2 3.69Å; I62-W259 HydrophobicContact CD1-CZ3 4.29Å
63T96.7Very high95.1Very high77 Ų7772 Ų7247%0.47234%0.336SS..Hα-helixtrans-62.6-42.4-178.9-64.80000111.4Q59 E60 R67Q59-T63 PolarHBondContact NE2-OG1 2.78Å; Q59-T63 VanDerWaalsContact NE2-OG1 3.07Å; Q59-T63 WeakPolarHBondContact O-CB 3.47Å; Q59-T63 PolarHBondContact O-N 3.45Å; Q59-T63 PolarHBondContact O-OG1 3.1Å; Q59-T63 VanDerWaalsContact O-OG1 3.08Å; E60-T63 PolarHBondContact O-N 2.88Å; T63-R67 VanDerWaalsContact O-CB 3.31Å; T63-R67 WeakPolarHBondContact O-CB 3.37Å; T63-R67 PolarHBondContact O-N 3.06Å
64F97.8Very high94.6Very high112 Ų11271.9 Ų71.949%0.49134%0.338SS..Hα-helixtrans-59.8-53.9175.9177.1-95.8000111.5E60 R61 I62 R66 R67 Q68E60-F64 VanDerWaalsContact O-CB 3.29Å; E60-F64 WeakPolarHBondContact O-CB 3.4Å; E60-F64 PolarHBondContact O-N 2.94Å; R61-F64 PolarHBondContact O-N 3.14Å; I62-F64 VanDerWaalsContact C-N 3.34Å; I62-F64 PolarHBondContact O-N 3.17Å; F64-R66 PolarHBondContact O-N 3.45Å; F64-R67 PolarHBondContact O-N 2.85Å; F64-Q68 HydrophobicContact CD1-CG 4.21Å; F64-Q68 HydrophobicContact CD2-CG 4.42Å; F64-Q68 HydrophobicContact CE1-CG 3.81Å; F64-Q68 HydrophobicContact CE2-CG 4.04Å; F64-Q68 HydrophobicContact CG-CG 4.5Å; F64-Q68 HydrophobicContact CZ-CG 3.72Å; F64-Q68 WeakPolarHBondContact O-CB 3.44Å; F64-Q68 WeakPolarHBondContact O-CG 3.43Å; F64-Q68 PolarHBondContact O-N 3.16Å
65N97.5Very high94.3Very high4 Ų474 Ų742%0.02135%0.346CS..Hα-helixtrans-58.8-48.6-179.1-78-1000111.5Y50 R61 I62 R67 Q68 Y69 Y269Y50-N65 HydrophobicContact CE2-CB 4.05Å; Y50-N65 VanDerWaalsContact CE2-ND2 3.27Å; Y50-N65 WeakPolarHBondContact CE2-ND2 3.35Å; R61-N65 VanDerWaalsContact O-CB 3.31Å; R61-N65 WeakPolarHBondContact O-CB 3.38Å; R61-N65 VanDerWaalsContact O-CG 3.28Å; R61-N65 PolarHBondContact O-N 2.87Å; I62-N65 PolarHBondContact O-N 2.93Å; N65-R67 VanDerWaalsContact C-N 3.33Å; N65-R67 PolarHBondContact O-N 3.42Å; N65-Q68 PolarHBondContact O-N 3.44Å; N65-Y69 PolarHBondContact O-N 3.35Å; N65-Y269 HydrophobicContact CB-CD2 3.72Å; N65-Y269 HydrophobicContact CB-CE1 4.3Å; N65-Y269 HydrophobicContact CB-CE2 3.45Å; N65-Y269 VanDerWaalsContact CB-CE2 3.45Å; N65-Y269 HydrophobicContact CB-CG 4.28Å; N65-Y269 WeakPolarHBondContact O-CE2 3.44Å; N65-Y269 PolarHBondContact O-OH 2.67Å
66R96.5Very high93.9Very high33 Ų3372.4 Ų72.413%0.12533%0.334CS..Hα-helixtrans-60.6-41.2180-71.7179.7179.8171.30.9112.4I62 F64 Y69 E70 Y262 M265 D266I62-R66 HydrophobicContact CG2-CG 4.34Å; I62-R66 WeakPolarHBondContact O-CB 3.47Å; I62-R66 VanDerWaalsContact O-CG 3.26Å; I62-R66 WeakPolarHBondContact O-CG 3.23Å; I62-R66 PolarHBondContact O-N 3.28Å; F64-R66 PolarHBondContact O-N 3.45Å; R66-Y69 PolarHBondContact O-N 3.36Å; R66-E70 PolarHBondContact O-N 2.86Å; R66-E70 VanDerWaalsContact O-N 3.09Å; R66-Y262 HydrophobicContact CG-CD1 4.48Å; R66-Y262 VanDerWaalsContact CZ-CD2 3.41Å; R66-Y262 VanDerWaalsContact CZ-CG 3.42Å; R66-M265 HydrophobicContact CB-SD 3.48Å; R66-M265 WeakPolarHBondContact CB-SD 3.19Å; R66-M265 HydrophobicContact CG-CB 4Å; R66-M265 HydrophobicContact CG-CG 4.43Å; R66-M265 HydrophobicContact CG-SD 3.59Å; R66-M265 VanDerWaalsContact CG-SD 3.59Å; R66-D266 IonicContact CZ-OD1 3.64Å; R66-D266 IonicContact CZ-OD2 2.85Å; R66-D266 IonicContact NE-OD1 3.4Å; R66-D266 PolarHBondContact NE-OD1 3.17Å; R66-D266 IonicContact NH2-OD1 3.49Å; R66-D266 PolarHBondContact NH2-OD1 3.27Å; R66-D266 IonicContact NH2-OD2 2.89Å; R66-D266 PolarHBondContact NH2-OD2 3.19Å
67R95.7Very high93.3Very high190 Ų19066.4 Ų66.472%0.71730%0.302SS*.Hα-helixtrans-68.5-38.7176.6-173.1175.7-177.4170.61.1112.7T63 F64 N65 E70 G71T63-R67 VanDerWaalsContact O-CB 3.31Å; T63-R67 WeakPolarHBondContact O-CB 3.37Å; T63-R67 PolarHBondContact O-N 3.06Å; F64-R67 PolarHBondContact O-N 2.85Å; N65-R67 VanDerWaalsContact C-N 3.33Å; N65-R67 PolarHBondContact O-N 3.42Å; R67-E70 WeakPolarHBondContact O-CB 3.09Å; R67-E70 PolarHBondContact O-N 3.1Å; R67-G71 PolarHBondContact O-N 3.26Å; R67-G71 VanDerWaalsContact O-N 3.08Å
68Q96.5Very high92.3Very high78 Ų7863.9 Ų63.936%0.36429%0.291SS..Hα-helixtrans-63.9-43.5176-75.6-61.4107.600111.4F64 N65 E70 G71 Y72 Y269F64-Q68 HydrophobicContact CD1-CG 4.21Å; F64-Q68 HydrophobicContact CD2-CG 4.42Å; F64-Q68 HydrophobicContact CE1-CG 3.81Å; F64-Q68 HydrophobicContact CE2-CG 4.04Å; F64-Q68 HydrophobicContact CG-CG 4.5Å; F64-Q68 HydrophobicContact CZ-CG 3.72Å; F64-Q68 WeakPolarHBondContact O-CB 3.44Å; F64-Q68 WeakPolarHBondContact O-CG 3.43Å; F64-Q68 PolarHBondContact O-N 3.16Å; N65-Q68 PolarHBondContact O-N 3.44Å; Q68-E70 VanDerWaalsContact C-N 3.35Å; Q68-E70 PolarHBondContact O-N 3.11Å; Q68-G71 WeakPolarHBondContact O-CA 3.25Å; Q68-G71 PolarHBondContact O-N 2.81Å; Q68-Y72 PolarHBondContact O-N 3.12Å; Q68-Y269 VanDerWaalsContact CB-OH 3.23Å; Q68-Y269 WeakPolarHBondContact CB-OH 3.49Å
69Y96Very high91.1Very high0 Ų068.3 Ų68.30%031%0.313CS..Hα-helixtrans-63.1-39.9175.6-173.9-91.1000112.4N65 R66 G71 Y72 I73 F139 I223 V226 E264 M265 F268N65-Y69 PolarHBondContact O-N 3.35Å; R66-Y69 PolarHBondContact O-N 3.36Å; Y69-G71 PolarHBondContact O-N 3.36Å; Y69-Y72 HydrophobicContact CD2-CD2 4.43Å; Y69-Y72 WeakPolarHBondContact O-CB 3.2Å; Y69-Y72 PolarHBondContact O-N 2.8Å; Y69-Y72 VanDerWaalsContact O-N 3.08Å; Y69-I73 HydrophobicContact CD1-CD1 4.42Å; Y69-I73 HydrophobicContact CD1-CG1 3.97Å; Y69-I73 HydrophobicContact CE1-CD1 3.68Å; Y69-I73 HydrophobicContact CE1-CG1 3.66Å; Y69-I73 WeakPolarHBondContact O-CG1 3.33Å; Y69-I73 PolarHBondContact O-N 2.99Å; Y69-F139 HydrophobicContact CD1-CE1 4.43Å; Y69-F139 HydrophobicContact CD1-CZ 4.17Å; Y69-F139 HydrophobicContact CE1-CZ 4.01Å; Y69-I223 WeakPolarHBondContact OH-CG1 3.19Å; Y69-V226 HydrophobicContact CD2-CG1 4.23Å; Y69-V226 HydrophobicContact CE2-CB 4.16Å; Y69-V226 HydrophobicContact CE2-CG1 3.82Å; Y69-V226 HydrophobicContact CE2-CG2 4.31Å; Y69-E264 HydrophobicContact CE1-CG 3.93Å; Y69-E264 WeakPolarHBondContact CE1-OE1 3.32Å; Y69-E264 PolarHBondContact OH-OE1 2.56Å; Y69-M265 HydrophobicContact CD1-CB 4.26Å; Y69-M265 HydrophobicContact CD1-CG 3.49Å; Y69-M265 VanDerWaalsContact CD1-CG 3.49Å; Y69-M265 HydrophobicContact CE1-CG 4.19Å; Y69-M265 HydrophobicContact CG-CB 4.38Å; Y69-M265 HydrophobicContact CG-CG 4Å; Y69-F268 HydrophobicContact CD2-CB 3.62Å; Y69-F268 AromaticContact CD2-CD1 3.53Å; Y69-F268 HydrophobicContact CD2-CD1 3.53Å; Y69-F268 HydrophobicContact CD2-CD2 4.03Å; Y69-F268 HydrophobicContact CD2-CE1 4.18Å; Y69-F268 AromaticContact CD2-CG 3.43Å; Y69-F268 HydrophobicContact CD2-CG 3.43Å; Y69-F268 VanDerWaalsContact CD2-CG 3.43Å; Y69-F268 HydrophobicContact CE2-CB 3.43Å; Y69-F268 VanDerWaalsContact CE2-CB 3.43Å; Y69-F268 HydrophobicContact CE2-CD1 4.04Å; Y69-F268 AromaticContact CE2-CD2 3.69Å; Y69-F268 HydrophobicContact CE2-CD2 3.69Å; Y69-F268 HydrophobicContact CE2-CE2 4.46Å; Y69-F268 AromaticContact CE2-CG 3.43Å; Y69-F268 HydrophobicContact CE2-CG 3.43Å; Y69-F268 VanDerWaalsContact CE2-CG 3.43Å
70E92.8Very high89.6Confident61 Ų6164.2 Ų64.229%0.28530%0.298SS..Hα-helixtrans-57-38.3170.8175.3-178.9177.300112.1R66 R67 Q68 I73 K74 F139 M265R66-E70 PolarHBondContact O-N 2.86Å; R66-E70 VanDerWaalsContact O-N 3.09Å; R67-E70 WeakPolarHBondContact O-CB 3.09Å; R67-E70 PolarHBondContact O-N 3.1Å; Q68-E70 VanDerWaalsContact C-N 3.35Å; Q68-E70 PolarHBondContact O-N 3.11Å; E70-I73 PolarHBondContact O-N 3.1Å; E70-K74 PolarHBondContact O-N 3.12Å; E70-K74 VanDerWaalsContact O-N 3.15Å; E70-K74 WeakPolarHBondContact OE1-CE 3.33Å; E70-K74 IonicContact OE1-NZ 3.27Å; E70-K74 PolarHBondContact OE1-NZ 3.11Å; E70-F139 HydrophobicContact CB-CD1 4.24Å; E70-F139 HydrophobicContact CB-CE1 4.14Å; E70-F139 HydrophobicContact CG-CD1 4.02Å; E70-F139 HydrophobicContact CG-CE1 4.43Å; E70-M265 HydrophobicContact CB-CE 4.44Å
71G92.4Very high87.6Confident33 Ų3360.2 Ų60.234%0.3429%0.285SS..Hα-helixtrans-58.5-47.8171.500000112.5R67 Q68 Y69 I73 K74 E75R67-G71 PolarHBondContact O-N 3.26Å; R67-G71 VanDerWaalsContact O-N 3.08Å; Q68-G71 WeakPolarHBondContact O-CA 3.25Å; Q68-G71 PolarHBondContact O-N 2.81Å; Y69-G71 PolarHBondContact O-N 3.36Å; G71-I73 VanDerWaalsContact C-N 3.3Å; G71-I73 PolarHBondContact O-N 3.07Å; G71-K74 PolarHBondContact O-N 3.37Å; G71-K74 VanDerWaalsContact O-N 3.16Å; G71-E75 PolarHBondContact O-N 2.95Å
72Y93.3Very high85.5Confident61 Ų6160.5 Ų60.524%0.23929%0.293CS..Hα-helixtrans-61.5-36176.6-60-35.3000113.2Q68 Y69 F76 V226 T230 F268Q68-Y72 PolarHBondContact O-N 3.12Å; Y69-Y72 HydrophobicContact CD2-CD2 4.43Å; Y69-Y72 WeakPolarHBondContact O-CB 3.2Å; Y69-Y72 PolarHBondContact O-N 2.8Å; Y69-Y72 VanDerWaalsContact O-N 3.08Å; Y72-F76 AromaticContact CD1-CE2 3.69Å; Y72-F76 HydrophobicContact CD1-CE2 3.69Å; Y72-F76 HydrophobicContact CD1-CZ 4.27Å; Y72-F76 HydrophobicContact CG-CD2 4.47Å; Y72-F76 AromaticContact CG-CE2 3.99Å; Y72-F76 HydrophobicContact CG-CE2 3.99Å; Y72-F76 WeakPolarHBondContact O-CB 3.49Å; Y72-F76 WeakPolarHBondContact O-CD2 3.41Å; Y72-F76 PolarHBondContact O-N 3.01Å; Y72-V226 HydrophobicContact CD2-CG1 4Å; Y72-V226 HydrophobicContact CG-CG1 4.14Å; Y72-T230 HydrophobicContact CD1-CG2 4.12Å; Y72-T230 HydrophobicContact CD2-CG2 4.09Å; Y72-T230 HydrophobicContact CE1-CG2 4.03Å; Y72-T230 HydrophobicContact CE2-CG2 4Å; Y72-T230 HydrophobicContact CG-CG2 4.17Å; Y72-F268 HydrophobicContact CD2-CE1 4.25Å; Y72-F268 HydrophobicContact CD2-CZ 4.24Å; Y72-F268 AromaticContact CE2-CE1 4Å; Y72-F268 HydrophobicContact CE2-CE1 4Å; Y72-F268 HydrophobicContact CE2-CZ 4.12Å
73I90.2Very high83.4Confident0 Ų061.9 Ų61.90%031%0.305CS..Iπ-helixtrans-62.3-46174.5-65.8-51.9000110.7Y69 E70 G71 V77 F78 F139 V143 R222 V226Y69-I73 HydrophobicContact CD1-CD1 4.42Å; Y69-I73 HydrophobicContact CD1-CG1 3.97Å; Y69-I73 HydrophobicContact CE1-CD1 3.68Å; Y69-I73 HydrophobicContact CE1-CG1 3.66Å; Y69-I73 WeakPolarHBondContact O-CG1 3.33Å; Y69-I73 PolarHBondContact O-N 2.99Å; E70-I73 PolarHBondContact O-N 3.1Å; G71-I73 VanDerWaalsContact C-N 3.3Å; G71-I73 PolarHBondContact O-N 3.07Å; I73-V77 HydrophobicContact CD1-CG2 4.04Å; I73-V77 HydrophobicContact CG2-CB 4.38Å; I73-V77 HydrophobicContact CG2-CG2 4.48Å; I73-V77 WeakPolarHBondContact O-CA 3.34Å; I73-V77 WeakPolarHBondContact O-CB 3.22Å; I73-V77 PolarHBondContact O-N 3.27Å; I73-F78 PolarHBondContact O-N 3.08Å; I73-F139 HydrophobicContact CB-CD1 4.43Å; I73-F139 HydrophobicContact CB-CE1 4.4Å; I73-F139 HydrophobicContact CG1-CD1 4.4Å; I73-F139 HydrophobicContact CG1-CE1 3.91Å; I73-F139 HydrophobicContact CG1-CE2 4.19Å; I73-F139 HydrophobicContact CG1-CZ 3.81Å; I73-F139 HydrophobicContact CG2-CB 4.49Å; I73-F139 HydrophobicContact CG2-CD1 4.34Å; I73-F139 HydrophobicContact CG2-CD2 4.23Å; I73-F139 HydrophobicContact CG2-CG 4.1Å; I73-V143 HydrophobicContact CG2-CG2 4.43Å; I73-R222 HydrophobicContact CD1-CG 3.75Å; I73-V226 HydrophobicContact CD1-CG2 3.69Å
74K86.6Confident81.3Confident91 Ų9165.4 Ų65.440%0.39632%0.321SS..Iπ-helixtrans-62.9-46.2178.9-68.3174.4-173.8170.60111.5E70 G71 F78 E79E70-K74 PolarHBondContact O-N 3.12Å; E70-K74 VanDerWaalsContact O-N 3.15Å; E70-K74 WeakPolarHBondContact OE1-CE 3.33Å; E70-K74 IonicContact OE1-NZ 3.27Å; E70-K74 PolarHBondContact OE1-NZ 3.11Å; G71-K74 PolarHBondContact O-N 3.37Å; G71-K74 VanDerWaalsContact O-N 3.16Å; K74-F78 VanDerWaalsContact O-CB 3.29Å; K74-F78 WeakPolarHBondContact O-CB 3.33Å; K74-F78 PolarHBondContact O-N 3.4Å; K74-E79 PolarHBondContact O-N 3.39Å
75E86.7Confident79.3Confident96 Ų9661.9 Ų61.945%0.44931%0.313SS..Iπ-helixtrans-68.8-52.1-178.3-170.7-178.6165.300112.5G71 S80G71-E75 PolarHBondContact O-N 2.95Å; E75-S80 PolarHBondContact O-N 3.28Å; E75-S80 PolarHBondContact O-OG 3.48Å
76F86.4Confident77.2Confident20 Ų2068.6 Ų68.69%0.08835%0.346CS..Iπ-helixtrans-90.6-30.4-169.1-55.6-37.8000113.9Y72 S80 Y225 V226 K229 T230Y72-F76 AromaticContact CD1-CE2 3.69Å; Y72-F76 HydrophobicContact CD1-CE2 3.69Å; Y72-F76 HydrophobicContact CD1-CZ 4.27Å; Y72-F76 HydrophobicContact CG-CD2 4.47Å; Y72-F76 AromaticContact CG-CE2 3.99Å; Y72-F76 HydrophobicContact CG-CE2 3.99Å; Y72-F76 WeakPolarHBondContact O-CB 3.49Å; Y72-F76 WeakPolarHBondContact O-CD2 3.41Å; Y72-F76 PolarHBondContact O-N 3.01Å; F76-S80 VanDerWaalsContact O-CB 3.29Å; F76-S80 WeakPolarHBondContact O-CB 3.03Å; F76-S80 PolarHBondContact O-OG 2.85Å; F76-Y225 HydrophobicContact CB-CE1 4.38Å; F76-V226 HydrophobicContact CD2-CG1 4.42Å; F76-K229 HydrophobicContact CB-CB 4.25Å; F76-K229 HydrophobicContact CB-CG 4.08Å; F76-K229 HydrophobicContact CD1-CB 3.94Å; F76-K229 HydrophobicContact CD1-CG 4.3Å; F76-K229 HydrophobicContact CD2-CB 3.58Å; F76-K229 HydrophobicContact CD2-CG 4.35Å; F76-K229 HydrophobicContact CE1-CB 4.19Å; F76-K229 HydrophobicContact CE2-CB 3.87Å; F76-K229 HydrophobicContact CG-CB 3.64Å; F76-K229 HydrophobicContact CG-CG 3.98Å; F76-K229 HydrophobicContact CZ-CB 4.16Å; F76-T230 HydrophobicContact CE2-CG2 3.69Å; F76-T230 HydrophobicContact CZ-CG2 4.37Å
77V81Confident75.5Confident3 Ų373.5 Ų73.52%0.01838%0.382CS..Iπ-helixtrans-95.1-40.1-177.7-172.80000111I73 V143 V147 L148 R151 R222I73-V77 HydrophobicContact CD1-CG2 4.04Å; I73-V77 HydrophobicContact CG2-CB 4.38Å; I73-V77 HydrophobicContact CG2-CG2 4.48Å; I73-V77 WeakPolarHBondContact O-CA 3.34Å; I73-V77 WeakPolarHBondContact O-CB 3.22Å; I73-V77 PolarHBondContact O-N 3.27Å; V77-V143 HydrophobicContact CG1-CG1 4.4Å; V77-V147 HydrophobicContact CG1-CB 4.3Å; V77-V147 HydrophobicContact CG1-CG1 3.94Å; V77-L148 HydrophobicContact CG1-CD2 4.15Å; V77-L148 HydrophobicContact CG1-CG 4.21Å; V77-R151 PolarHBondContact O-NH2 2.62Å; V77-R222 HydrophobicContact CG2-CG 4.35Å
78F74.4Confident74.2Confident74 Ų7468.3 Ų68.333%0.32538%0.38SS..Iπ-helixtrans-91.3-60.8-178-179.9-92.8000113.3I73 K74 S80 C81 E142I73-F78 PolarHBondContact O-N 3.08Å; K74-F78 VanDerWaalsContact O-CB 3.29Å; K74-F78 WeakPolarHBondContact O-CB 3.33Å; K74-F78 PolarHBondContact O-N 3.4Å; F78-S80 VanDerWaalsContact C-N 3.32Å; F78-S80 PolarHBondContact O-N 3.1Å; F78-C81 VanDerWaalsContact O-CB 3.25Å; F78-C81 WeakPolarHBondContact O-CB 3.31Å; F78-C81 PolarHBondContact O-N 3.37Å; F78-E142 WeakPolarHBondContact CD2-O 3.45Å; F78-E142 HydrophobicContact CE2-CB 4.32Å
79E69.5Low73Confident122 Ų12265.4 Ų65.457%0.5737%0.367SS*.G310 helixtrans-66.3-34.4-173.4-68.7177.2178.500112.3K74 C81 M82K74-E79 PolarHBondContact O-N 3.39Å; E79-C81 PolarHBondContact O-N 3.29Å; E79-M82 PolarHBondContact O-N 3.18Å
80S63.1Low72.1Confident36 Ų3669.8 Ų69.825%0.25239%0.387SS..G310 helixtrans-64.3-8173.8-58.80000114E75 F76 F78 R151E75-S80 PolarHBondContact O-N 3.28Å; E75-S80 PolarHBondContact O-OG 3.48Å; F76-S80 VanDerWaalsContact O-CB 3.29Å; F76-S80 WeakPolarHBondContact O-CB 3.03Å; F76-S80 PolarHBondContact O-OG 2.85Å; F78-S80 VanDerWaalsContact C-N 3.32Å; F78-S80 PolarHBondContact O-N 3.1Å; S80-R151 PolarHBondContact O-NH2 3.42Å
81C53.5Low71.2Confident59 Ų5970 Ų7040%0.39939%0.394SS..G310 helixtrans-82.3-27.3169.3-84.50000112F78 E79 A83 R151F78-C81 VanDerWaalsContact O-CB 3.25Å; F78-C81 WeakPolarHBondContact O-CB 3.31Å; F78-C81 PolarHBondContact O-N 3.37Å; E79-C81 PolarHBondContact O-N 3.29Å; C81-A83 VanDerWaalsContact C-N 3.32Å; C81-A83 PolarHBondContact O-N 3.46Å; C81-R151 VanDerWaalsContact SG-CZ 3.52Å; C81-R151 PolarHBondContact SG-NE 3.26Å; C81-R151 PolarHBondContact SG-NH2 3.06Å
82M52.3Low70.4Confident113 Ų11375.4 Ų75.456%0.55741%0.414SS*.  trans-96.360.9-175.6-58.6-60.8-17000109.3E79 D84E79-M82 PolarHBondContact O-N 3.18Å; M82-D84 PolarHBondContact O-N 3.05Å
83A53Low69.5Low37 Ų3774.1 Ų74.131%0.30641%0.411SS..  trans-67.759161.100000109.1C81 A85C81-A83 VanDerWaalsContact C-N 3.32Å; C81-A83 PolarHBondContact O-N 3.46Å; A83-A85 PolarHBondContact O-N 2.94Å
84D52.5Low68.8Low150 Ų15081.4 Ų81.480%0.80245%0.449SS*.  trans-69.978163.6-84.7-20.1000105.7M82M82-D84 PolarHBondContact O-N 3.05Å
85A54.9Low68.3Low39 Ų3982.6 Ų82.632%0.32246%0.456SS..  trans-65.7138.1-163.200000110.7A83 D89A83-A85 PolarHBondContact O-N 2.94Å; A85-D89 HydrophobicContact CB-CB 4.45Å; A85-D89 WeakPolarHBondContact CB-O 3.4Å
86M54.5Low67.8Low144 Ų14482.9 Ų82.971%0.70947%0.467SS*.  trans-49.6143160.9-69.2-166.783.600108.7A88 D89M86-A88 PolarHBondContact O-N 3.4Å; M86-D89 PolarHBondContact O-N 3.29Å
87P61.4Low67.2Low137 Ų13788 Ų8889%0.8950%0.495SS*.THydrogen-bonded Turntrans-54.4-22.1-170.3-22.125.7000115.7
88A67.7Low67.1Low81 Ų8188.1 Ų88.167%0.66950%0.497SS*.THydrogen-bonded Turntrans-87.9-18.5179.900000114M86M86-A88 PolarHBondContact O-N 3.4Å
89D70.1Confident67.2Low16 Ų1689.1 Ų89.19%0.08651%0.505CS..  trans-97.3110.3-176.7-165.521.3000110A85 M86 N93 N99 W100A85-D89 HydrophobicContact CB-CB 4.45Å; A85-D89 WeakPolarHBondContact CB-O 3.4Å; M86-D89 PolarHBondContact O-N 3.29Å; D89-N93 PolarHBondContact OD1-ND2 3.26Å; D89-N99 WeakPolarHBondContact OD2-CA 3.38Å; D89-N99 WeakPolarHBondContact OD2-CB 3.4Å; D89-N99 PolarHBondContact OD2-N 2.93Å; D89-N99 PolarHBondContact OD2-ND2 2.66Å; D89-W100 VanDerWaalsContact C-CD1 3.44Å; D89-W100 PolarHBondContact O-NE1 3.17Å; D89-W100 VanDerWaalsContact O-NE1 3.12Å
90H77.2Confident67.7Low93 Ų9385.9 Ų85.943%0.43149%0.488SS..  trans-131.4162.3-176.761.851.3000110.8L92 N93 W100H90-L92 VanDerWaalsContact ND1-C 3.33Å; H90-L92 PolarHBondContact ND1-N 2.71Å; H90-L92 PolarHBondContact O-N 3.4Å; H90-N93 PolarHBondContact CE1-N 2.97Å; H90-N93 VanDerWaalsContact CE1-N 3.26Å; H90-N93 PolarHBondContact ND1-N 3.42Å; H90-N93 WeakPolarHBondContact O-CB 3.48Å; H90-N93 PolarHBondContact O-N 2.88Å; H90-W100 VanDerWaalsContact C-CG 3.44Å
91P75.1Confident68.5Low66 Ų6686.5 Ų86.543%0.42949%0.488SS..THydrogen-bonded Turntrans-53.5-25.5-176.5-30.536000116.1W100 F104P91-W100 HydrophobicContact CB-CD2 4.19Å; P91-W100 HydrophobicContact CB-CE3 4.12Å; P91-W100 HydrophobicContact CB-CZ3 4.49Å; P91-W100 HydrophobicContact CG-CD2 3.76Å; P91-W100 HydrophobicContact CG-CE3 3.81Å; P91-W100 HydrophobicContact CG-CG 4.48Å; P91-W100 HydrophobicContact CG-CH2 3.85Å; P91-W100 HydrophobicContact CG-CZ2 3.78Å; P91-W100 HydrophobicContact CG-CZ3 3.86Å; P91-F104 HydrophobicContact CB-CE2 4.15Å; P91-F104 HydrophobicContact CB-CZ 4.04Å; P91-F104 WeakPolarHBondContact O-CE2 3.42Å
92L74.8Confident69.8Low146 Ų14685.4 Ų85.476%0.76448%0.479SS*.THydrogen-bonded Turntrans-93.55.8178-56.2176.9000113.7H90H90-L92 VanDerWaalsContact ND1-C 3.33Å; H90-L92 PolarHBondContact ND1-N 2.71Å; H90-L92 PolarHBondContact O-N 3.4Å
93N73.9Confident71.2Confident33 Ų3382.3 Ų82.318%0.17646%0.463CS..  trans-74.1127.5-178.5-175.919.4000107.6D89 H90 E95 I101D89-N93 PolarHBondContact OD1-ND2 3.26Å; H90-N93 PolarHBondContact CE1-N 2.97Å; H90-N93 VanDerWaalsContact CE1-N 3.26Å; H90-N93 PolarHBondContact ND1-N 3.42Å; H90-N93 WeakPolarHBondContact O-CB 3.48Å; H90-N93 PolarHBondContact O-N 2.88Å; N93-E95 WeakPolarHBondContact OD1-CG 3.33Å; N93-E95 PolarHBondContact OD1-N 3.05Å; N93-I101 VanDerWaalsContact O-CD1 3.24Å; N93-I101 WeakPolarHBondContact O-CD1 3.49Å; N93-I101 VanDerWaalsContact O-CG1 3.32Å; N93-I101 WeakPolarHBondContact O-CG1 3.31Å
94L75.6Confident72.6Confident153 Ų15384.8 Ų84.880%0.80147%0.467SS*.  trans-102.82.5-174.9-65178.1000112.9I101L94-I101 VanDerWaalsContact CA-CD1 3.47Å; L94-I101 WeakPolarHBondContact O-CD1 3.46Å
95E77.3Confident74.1Confident116 Ų11683.1 Ų83.154%0.54245%0.45SS..  trans-62.3125.7175-67.1-5814800110.5N93 D97 G98 I101N93-E95 WeakPolarHBondContact OD1-CG 3.33Å; N93-E95 PolarHBondContact OD1-N 3.05Å; E95-D97 PolarHBondContact O-N 3.14Å; E95-G98 PolarHBondContact O-N 3.37Å; E95-I101 WeakPolarHBondContact O-CD1 3.25Å
96P75.8Confident75.6Confident102 Ų10281.5 Ų81.566%0.66244%0.435SS*.THydrogen-bonded Turntrans-62.8-17.8-169.524.1-33.7000114.3
97D74.3Confident77Confident128 Ų12875.9 Ų75.968%0.68441%0.408SS*.THydrogen-bonded Turntrans-101.25.6176.862.4-20.5000113.7E95E95-D97 PolarHBondContact O-N 3.14Å
98G77.8Confident78.3Confident5 Ų576.1 Ų76.15%0.05240%0.398CS..  trans-63.3141.117500000112.6E95 W100 I101 T102E95-G98 PolarHBondContact O-N 3.37Å; G98-W100 PolarHBondContact O-N 2.99Å; G98-I101 PolarHBondContact O-N 3.32Å; G98-T102 PolarHBondContact O-N 3.14Å; G98-T102 VanDerWaalsContact O-N 3.14Å; G98-T102 PolarHBondContact O-OG1 3.12Å
99N77.9Confident79.4Confident95 Ų9574 Ų7451%0.50837%0.374SS..Hα-helixtrans-64.5-33.4177.8-54.5-65.5000110.4D89 T102 F103D89-N99 WeakPolarHBondContact OD2-CA 3.38Å; D89-N99 WeakPolarHBondContact OD2-CB 3.4Å; D89-N99 PolarHBondContact OD2-N 2.93Å; D89-N99 PolarHBondContact OD2-ND2 2.66Å; N99-T102 PolarHBondContact O-N 3.44Å; N99-F103 WeakPolarHBondContact O-CB 3.41Å; N99-F103 PolarHBondContact O-N 3.4Å
100W78.6Confident80.3Confident55 Ų5573.3 Ų73.321%0.20837%0.371CS..Hα-helixtrans-65.3-44.6176.7-77.2101.4000113.2D89 H90 P91 G98 T102 F103 F104D89-W100 VanDerWaalsContact C-CD1 3.44Å; D89-W100 PolarHBondContact O-NE1 3.17Å; D89-W100 VanDerWaalsContact O-NE1 3.12Å; H90-W100 VanDerWaalsContact C-CG 3.44Å; P91-W100 HydrophobicContact CB-CD2 4.19Å; P91-W100 HydrophobicContact CB-CE3 4.12Å; P91-W100 HydrophobicContact CB-CZ3 4.49Å; P91-W100 HydrophobicContact CG-CD2 3.76Å; P91-W100 HydrophobicContact CG-CE3 3.81Å; P91-W100 HydrophobicContact CG-CG 4.48Å; P91-W100 HydrophobicContact CG-CH2 3.85Å; P91-W100 HydrophobicContact CG-CZ2 3.78Å; P91-W100 HydrophobicContact CG-CZ3 3.86Å; G98-W100 PolarHBondContact O-N 2.99Å; W100-T102 VanDerWaalsContact C-N 3.33Å; W100-T102 PolarHBondContact O-N 3.37Å; W100-F103 HydrophobicContact CE3-CD1 4.13Å; W100-F103 HydrophobicContact CZ3-CD1 4.19Å; W100-F103 HydrophobicContact CZ3-CE1 4.27Å; W100-F103 WeakPolarHBondContact O-CB 3.43Å; W100-F103 PolarHBondContact O-N 3.21Å; W100-F104 HydrophobicContact CB-CD2 4.45Å; W100-F104 HydrophobicContact CB-CE2 4.14Å; W100-F104 AromaticContact CE3-CE2 3.89Å; W100-F104 HydrophobicContact CE3-CE2 3.89Å; W100-F104 AromaticContact CE3-CZ 3.8Å; W100-F104 HydrophobicContact CE3-CZ 3.8Å; W100-F104 HydrophobicContact CZ3-CZ 4.28Å; W100-F104 WeakPolarHBondContact O-CD2 3.34Å; W100-F104 WeakPolarHBondContact O-CG 3.47Å; W100-F104 PolarHBondContact O-N 2.98Å
101I79.5Confident80.8Confident48 Ų4871.8 Ų71.825%0.24637%0.366CS..Hα-helixtrans-63.1-44.3176.7-71.3173.7000110.4N93 L94 E95 G98 F103 F104 R105N93-I101 VanDerWaalsContact O-CD1 3.24Å; N93-I101 WeakPolarHBondContact O-CD1 3.49Å; N93-I101 VanDerWaalsContact O-CG1 3.32Å; N93-I101 WeakPolarHBondContact O-CG1 3.31Å; L94-I101 VanDerWaalsContact CA-CD1 3.47Å; L94-I101 WeakPolarHBondContact O-CD1 3.46Å; E95-I101 WeakPolarHBondContact O-CD1 3.25Å; G98-I101 PolarHBondContact O-N 3.32Å; I101-F103 VanDerWaalsContact C-N 3.32Å; I101-F103 PolarHBondContact O-N 3.49Å; I101-F104 PolarHBondContact O-N 3.15Å; I101-R105 WeakPolarHBondContact O-CB 3.14Å; I101-R105 PolarHBondContact O-N 3.22Å
102T81.9Confident81.6Confident36 Ų3671.9 Ų71.922%0.22136%0.36CS..Hα-helixtrans-60.5-43.7175.7-63.50000111G98 N99 W100 R105 D106G98-T102 PolarHBondContact O-N 3.14Å; G98-T102 VanDerWaalsContact O-N 3.14Å; G98-T102 PolarHBondContact O-OG1 3.12Å; N99-T102 PolarHBondContact O-N 3.44Å; W100-T102 VanDerWaalsContact C-N 3.33Å; W100-T102 PolarHBondContact O-N 3.37Å; T102-R105 PolarHBondContact O-N 2.85Å; T102-D106 VanDerWaalsContact O-CB 3.28Å; T102-D106 WeakPolarHBondContact O-CB 3.39Å; T102-D106 PolarHBondContact O-N 3.31Å
103F80.7Confident82.5Confident49 Ų4965 Ų6522%0.21532%0.324CS..Hα-helixtrans-61.1-45.5176.7176.8-98000112.3N99 W100 I101 D106 N107N99-F103 WeakPolarHBondContact O-CB 3.41Å; N99-F103 PolarHBondContact O-N 3.4Å; W100-F103 HydrophobicContact CE3-CD1 4.13Å; W100-F103 HydrophobicContact CZ3-CD1 4.19Å; W100-F103 HydrophobicContact CZ3-CE1 4.27Å; W100-F103 WeakPolarHBondContact O-CB 3.43Å; W100-F103 PolarHBondContact O-N 3.21Å; I101-F103 VanDerWaalsContact C-N 3.32Å; I101-F103 PolarHBondContact O-N 3.49Å; F103-D106 PolarHBondContact O-N 3.42Å; F103-N107 VanDerWaalsContact CD1-ND2 3.33Å; F103-N107 WeakPolarHBondContact CD1-ND2 3.28Å; F103-N107 WeakPolarHBondContact CE1-ND2 3.46Å; F103-N107 WeakPolarHBondContact CZ-ND2 3.4Å; F103-N107 WeakPolarHBondContact O-CB 3.31Å; F103-N107 VanDerWaalsContact O-CG 3.24Å; F103-N107 PolarHBondContact O-N 3.17Å; F103-N107 PolarHBondContact O-ND2 3.41Å
104F82.3Confident83.3Confident89 Ų8964 Ų6439%0.3932%0.319SS..Hα-helixtrans-64.8-45.8177.1-70.7-55.7000111.9P91 W100 I101 D106 N107 E108P91-F104 HydrophobicContact CB-CE2 4.15Å; P91-F104 HydrophobicContact CB-CZ 4.04Å; P91-F104 WeakPolarHBondContact O-CE2 3.42Å; W100-F104 HydrophobicContact CB-CD2 4.45Å; W100-F104 HydrophobicContact CB-CE2 4.14Å; W100-F104 AromaticContact CE3-CE2 3.89Å; W100-F104 HydrophobicContact CE3-CE2 3.89Å; W100-F104 AromaticContact CE3-CZ 3.8Å; W100-F104 HydrophobicContact CE3-CZ 3.8Å; W100-F104 HydrophobicContact CZ3-CZ 4.28Å; W100-F104 WeakPolarHBondContact O-CD2 3.34Å; W100-F104 WeakPolarHBondContact O-CG 3.47Å; W100-F104 PolarHBondContact O-N 2.98Å; I101-F104 PolarHBondContact O-N 3.15Å; F104-D106 VanDerWaalsContact C-N 3.31Å; F104-D106 PolarHBondContact O-N 3.25Å; F104-N107 PolarHBondContact O-N 3.21Å; F104-E108 PolarHBondContact O-N 2.96Å
105R84.3Confident84Confident115 Ų11561.5 Ų61.543%0.43430%0.301SS..Hα-helixtrans-58.2-45.6175.1-175.7-177.568.4-154.6-5.4111.2I101 T102 N107 E108 I109I101-R105 WeakPolarHBondContact O-CB 3.14Å; I101-R105 PolarHBondContact O-N 3.22Å; T102-R105 PolarHBondContact O-N 2.85Å; R105-N107 VanDerWaalsContact C-N 3.3Å; R105-N107 PolarHBondContact O-N 3.03Å; R105-E108 PolarHBondContact O-N 3.37Å; R105-I109 WeakPolarHBondContact O-CG1 3.33Å; R105-I109 PolarHBondContact O-N 3.24Å; R105-I109 VanDerWaalsContact O-N 3.14Å
106D86.7Confident84.8Confident5 Ų556.4 Ų56.43%0.02728%0.278CS..Hα-helixtrans-64.3-36.3179.2-71.3-6.9000111.8T102 F103 F104 I109 L110 Y225 Y228 K229T102-D106 VanDerWaalsContact O-CB 3.28Å; T102-D106 WeakPolarHBondContact O-CB 3.39Å; T102-D106 PolarHBondContact O-N 3.31Å; F103-D106 PolarHBondContact O-N 3.42Å; F104-D106 VanDerWaalsContact C-N 3.31Å; F104-D106 PolarHBondContact O-N 3.25Å; D106-I109 PolarHBondContact O-N 3.02Å; D106-L110 VanDerWaalsContact O-CB 3.23Å; D106-L110 WeakPolarHBondContact O-CB 3.35Å; D106-L110 PolarHBondContact O-N 2.9Å; D106-Y225 HydrophobicContact CB-CE2 4.36Å; D106-Y228 HydrophobicContact CB-CE1 4.32Å; D106-Y228 VanDerWaalsContact OD1-CE1 3.25Å; D106-Y228 WeakPolarHBondContact OD1-CE1 3.12Å; D106-Y228 PolarHBondContact OD1-OH 3.48Å; D106-K229 IonicContact OD1-NZ 3.62Å; D106-K229 IonicContact OD2-NZ 3.72Å; D106-K229 PolarHBondContact OD2-NZ 2.63Å
107N84.8Confident85.6Confident25 Ų2551.6 Ų51.613%0.13425%0.247CC..Hα-helixtrans-70.4-33.8175.8-72.9-29.7000112.9F103 F104 R105 L110 L111F103-N107 VanDerWaalsContact CD1-ND2 3.33Å; F103-N107 WeakPolarHBondContact CD1-ND2 3.28Å; F103-N107 WeakPolarHBondContact CE1-ND2 3.46Å; F103-N107 WeakPolarHBondContact CZ-ND2 3.4Å; F103-N107 WeakPolarHBondContact O-CB 3.31Å; F103-N107 VanDerWaalsContact O-CG 3.24Å; F103-N107 PolarHBondContact O-N 3.17Å; F103-N107 PolarHBondContact O-ND2 3.41Å; F104-N107 PolarHBondContact O-N 3.21Å; R105-N107 VanDerWaalsContact C-N 3.3Å; R105-N107 PolarHBondContact O-N 3.03Å; N107-L110 PolarHBondContact O-N 3.15Å; N107-L111 VanDerWaalsContact O-CB 3.3Å; N107-L111 WeakPolarHBondContact O-CB 3.15Å; N107-L111 PolarHBondContact O-N 3.11Å
108E87.9Confident86.2Confident143 Ų14350.2 Ų50.267%0.66824%0.236SC*.Hα-helixtrans-62.6-47172.6-72.3-179.617300111.1F104 R105 L111 Q112F104-E108 PolarHBondContact O-N 2.96Å; R105-E108 PolarHBondContact O-N 3.37Å; E108-L111 PolarHBondContact O-N 3.03Å; E108-Q112 PolarHBondContact O-N 3.31Å; E108-Q112 VanDerWaalsContact O-N 3.14Å
109I90.1Very high86.7Confident36 Ų3657.5 Ų57.519%0.18526%0.262CS..Hα-helixtrans-64.1-44175.9-61.5-58.8000110.8R105 D106 L111 Q112 I113 Y228R105-I109 WeakPolarHBondContact O-CG1 3.33Å; R105-I109 PolarHBondContact O-N 3.24Å; R105-I109 VanDerWaalsContact O-N 3.14Å; D106-I109 PolarHBondContact O-N 3.02Å; I109-L111 VanDerWaalsContact C-N 3.33Å; I109-L111 PolarHBondContact O-N 3.02Å; I109-Q112 WeakPolarHBondContact O-CB 3.31Å; I109-Q112 PolarHBondContact O-N 2.98Å; I109-Q112 VanDerWaalsContact O-N 3.11Å; I109-I113 HydrophobicContact CG2-CD1 3.99Å; I109-I113 HydrophobicContact CG2-CG1 4.44Å; I109-I113 WeakPolarHBondContact O-CG1 3.46Å; I109-I113 PolarHBondContact O-N 3.18Å; I109-Y228 HydrophobicContact CB-CE1 4.36Å; I109-Y228 HydrophobicContact CB-CE2 4.48Å; I109-Y228 HydrophobicContact CG1-CE2 4.11Å; I109-Y228 HydrophobicContact CG2-CD1 4.09Å; I109-Y228 HydrophobicContact CG2-CD2 3.96Å; I109-Y228 HydrophobicContact CG2-CE1 4.25Å; I109-Y228 HydrophobicContact CG2-CE2 4.12Å; I109-Y228 HydrophobicContact CG2-CG 3.95Å
110L89.7Confident87.1Confident1 Ų153.1 Ų53.11%0.00524%0.239CC..Hα-helixtrans-61.3-41.3177.8-179.661.7000111.8D106 N107 Q112 I113 N114 L148 R151 E221 Y225D106-L110 VanDerWaalsContact O-CB 3.23Å; D106-L110 WeakPolarHBondContact O-CB 3.35Å; D106-L110 PolarHBondContact O-N 2.9Å; N107-L110 PolarHBondContact O-N 3.15Å; L110-Q112 VanDerWaalsContact C-N 3.26Å; L110-Q112 PolarHBondContact O-N 2.93Å; L110-I113 PolarHBondContact O-N 2.7Å; L110-N114 VanDerWaalsContact O-CB 3.31Å; L110-N114 WeakPolarHBondContact O-CB 3.25Å; L110-N114 PolarHBondContact O-N 3.33Å; L110-L148 HydrophobicContact CD1-CB 4.09Å; L110-L148 HydrophobicContact CD1-CD1 4.24Å; L110-L148 HydrophobicContact CD1-CD2 4.3Å; L110-L148 HydrophobicContact CD1-CG 4.43Å; L110-L148 HydrophobicContact CD2-CB 4.11Å; L110-L148 HydrophobicContact CD2-CD2 3.88Å; L110-R151 HydrophobicContact CD2-CB 3.98Å; L110-E221 HydrophobicContact CD1-CG 4.01Å; L110-Y225 HydrophobicContact CB-CD2 4.16Å; L110-Y225 HydrophobicContact CB-CE2 4.14Å; L110-Y225 HydrophobicContact CD1-CD2 3.8Å; L110-Y225 HydrophobicContact CD1-CE2 4.4Å; L110-Y225 HydrophobicContact CD1-CG 4.07Å; L110-Y225 HydrophobicContact CG-CD2 4.45Å
111L88.8Confident87.2Confident62 Ų6252.2 Ų52.233%0.32524%0.241SC..Hα-helixtrans-62.7-34.9175.7-179.463000111.9N107 E108 I109 K115N107-L111 VanDerWaalsContact O-CB 3.3Å; N107-L111 WeakPolarHBondContact O-CB 3.15Å; N107-L111 PolarHBondContact O-N 3.11Å; E108-L111 PolarHBondContact O-N 3.03Å; I109-L111 VanDerWaalsContact C-N 3.33Å; I109-L111 PolarHBondContact O-N 3.02Å; L111-K115 HydrophobicContact CG-CD 4.46Å; L111-K115 VanDerWaalsContact O-CG 3.3Å; L111-K115 WeakPolarHBondContact O-CG 3.4Å; L111-K115 PolarHBondContact O-N 2.91Å
112Q91.6Very high87.2Confident68 Ų6853 Ų5332%0.31825%0.248SC..Hα-helixtrans-66.2-50.6173-171.9-173.2-25.100111.1E108 I109 L110 N114 K115 D116 Y236E108-Q112 PolarHBondContact O-N 3.31Å; E108-Q112 VanDerWaalsContact O-N 3.14Å; I109-Q112 WeakPolarHBondContact O-CB 3.31Å; I109-Q112 PolarHBondContact O-N 2.98Å; I109-Q112 VanDerWaalsContact O-N 3.11Å; L110-Q112 VanDerWaalsContact C-N 3.26Å; L110-Q112 PolarHBondContact O-N 2.93Å; Q112-N114 VanDerWaalsContact C-N 3.29Å; Q112-N114 PolarHBondContact O-N 2.61Å; Q112-K115 PolarHBondContact O-N 3.16Å; Q112-D116 PolarHBondContact O-N 3.28Å; Q112-Y236 HydrophobicContact CG-CD1 4.4Å; Q112-Y236 HydrophobicContact CG-CE1 4.03Å
113I93.3Very high87.1Confident0 Ų059.1 Ų59.10%028%0.28CS..Hα-helixtrans-55.2-46.5176.7-65.9169.8000110.3I109 L110 K115 D116 C117 E221 L224 Y236I109-I113 HydrophobicContact CG2-CD1 3.99Å; I109-I113 HydrophobicContact CG2-CG1 4.44Å; I109-I113 WeakPolarHBondContact O-CG1 3.46Å; I109-I113 PolarHBondContact O-N 3.18Å; L110-I113 PolarHBondContact O-N 2.7Å; I113-K115 PolarHBondContact O-N 3.42Å; I113-D116 PolarHBondContact O-N 2.86Å; I113-C117 WeakPolarHBondContact O-CB 3.45Å; I113-C117 PolarHBondContact O-N 3.37Å; I113-C117 PolarHBondContact O-SG 3.07Å; I113-E221 HydrophobicContact CG2-CB 4.2Å; I113-E221 HydrophobicContact CG2-CG 3.94Å; I113-L224 HydrophobicContact CD1-CB 4.26Å; I113-L224 HydrophobicContact CG2-CB 3.83Å; I113-L224 HydrophobicContact CG2-CD1 4.01Å; I113-Y236 HydrophobicContact CB-CE1 4.49Å; I113-Y236 HydrophobicContact CD1-CD1 4.36Å; I113-Y236 HydrophobicContact CD1-CD2 4.16Å; I113-Y236 HydrophobicContact CD1-CG 3.98Å; I113-Y236 HydrophobicContact CG1-CD1 3.53Å; I113-Y236 HydrophobicContact CG1-CD2 3.76Å; I113-Y236 HydrophobicContact CG1-CE1 3.68Å; I113-Y236 HydrophobicContact CG1-CE2 3.9Å; I113-Y236 HydrophobicContact CG1-CG 3.58Å
114N90.3Very high87.4Confident14 Ų1459.8 Ų59.88%0.07528%0.283CS..Hα-helixtrans-55.9-50.7179.1-176.1-91.6000111.8L110 Q112 D116 C117 Q118 E221L110-N114 VanDerWaalsContact O-CB 3.31Å; L110-N114 WeakPolarHBondContact O-CB 3.25Å; L110-N114 PolarHBondContact O-N 3.33Å; Q112-N114 VanDerWaalsContact C-N 3.29Å; Q112-N114 PolarHBondContact O-N 2.61Å; N114-D116 VanDerWaalsContact C-N 3.31Å; N114-D116 PolarHBondContact O-N 3.16Å; N114-C117 PolarHBondContact O-N 2.94Å; N114-Q118 WeakPolarHBondContact O-CG 3.33Å; N114-Q118 PolarHBondContact O-N 2.96Å; N114-Q118 PolarHBondContact OD1-NE2 3.34Å; N114-E221 WeakPolarHBondContact CA-OE1 3.22Å; N114-E221 WeakPolarHBondContact CB-OE1 3.22Å; N114-E221 PolarHBondContact ND2-OE1 3.39Å
115K90.8Very high87.7Confident99 Ų9959 Ų5943%0.4328%0.283SS..Hα-helixtrans-62-39179-73.8169-177.1168.50112.3L111 Q112 I113 R119L111-K115 HydrophobicContact CG-CD 4.46Å; L111-K115 VanDerWaalsContact O-CG 3.3Å; L111-K115 WeakPolarHBondContact O-CG 3.4Å; L111-K115 PolarHBondContact O-N 2.91Å; Q112-K115 PolarHBondContact O-N 3.16Å; I113-K115 PolarHBondContact O-N 3.42Å; K115-R119 WeakPolarHBondContact O-CD 3.2Å; K115-R119 VanDerWaalsContact O-CG 3.3Å; K115-R119 WeakPolarHBondContact O-CG 2.95Å
116D93.2Very high88.1Confident10 Ų1054.3 Ų54.35%0.05327%0.266CS..Hα-helixtrans-69.9-43.1179.1-71.8-16.8000111.1Q112 I113 N114 R119 L120 Y236 N241Q112-D116 PolarHBondContact O-N 3.28Å; I113-D116 PolarHBondContact O-N 2.86Å; N114-D116 VanDerWaalsContact C-N 3.31Å; N114-D116 PolarHBondContact O-N 3.16Å; D116-R119 PolarHBondContact O-N 3.21Å; D116-L120 PolarHBondContact O-N 2.75Å; D116-Y236 VanDerWaalsContact CB-OH 3.32Å; D116-Y236 WeakPolarHBondContact CB-OH 3.42Å; D116-Y236 WeakPolarHBondContact OD2-CE1 3.42Å; D116-Y236 PolarHBondContact OD2-OH 2.83Å; D116-N241 HydrophobicContact CB-CB 4.16Å; D116-N241 PolarHBondContact O-ND2 3.32Å
117C92.4Very high88.4Confident1 Ų154.2 Ų54.21%0.00727%0.265CS..Hα-helixtrans-65.1-40178.9-66.30000112.6I113 N114 R119 L120 W217 E221I113-C117 WeakPolarHBondContact O-CB 3.45Å; I113-C117 PolarHBondContact O-N 3.37Å; I113-C117 PolarHBondContact O-SG 3.07Å; N114-C117 PolarHBondContact O-N 2.94Å; C117-R119 PolarHBondContact O-N 3.42Å; C117-L120 HydrophobicContact CB-CD1 4.3Å; C117-L120 WeakPolarHBondContact O-CB 3.28Å; C117-L120 WeakPolarHBondContact O-CG 3.3Å; C117-L120 PolarHBondContact O-N 2.85Å; C117-W217 HydrophobicContact CB-CB 4.41Å; C117-W217 HydrophobicContact CB-CE3 4.04Å; C117-E221 HydrophobicContact CB-CB 4.41Å
118Q87.9Confident88.7Confident99 Ų9958.8 Ų58.846%0.46328%0.28SS..Hα-helixtrans-63.8-20.9176.3-73.4-174.632.200113.7N114 W217N114-Q118 WeakPolarHBondContact O-CG 3.33Å; N114-Q118 PolarHBondContact O-N 2.96Å; N114-Q118 PolarHBondContact OD1-NE2 3.34Å; Q118-W217 HydrophobicContact CG-CD2 4.29Å; Q118-W217 HydrophobicContact CG-CE3 4.12Å; Q118-W217 HydrophobicContact CG-CH2 4.1Å; Q118-W217 HydrophobicContact CG-CZ2 4.23Å; Q118-W217 HydrophobicContact CG-CZ3 4.04Å
119R88Confident88.9Confident157 Ų15758.2 Ų58.259%0.59227%0.272SS*.THydrogen-bonded Turntrans-98.41.6-179.4-65.4171.6-175.6175.90113.2K115 D116 C117 C121K115-R119 WeakPolarHBondContact O-CD 3.2Å; K115-R119 VanDerWaalsContact O-CG 3.3Å; K115-R119 WeakPolarHBondContact O-CG 2.95Å; D116-R119 PolarHBondContact O-N 3.21Å; C117-R119 PolarHBondContact O-N 3.42Å; R119-C121 PolarHBondContact O-N 2.99Å
120L86.8Confident88.9Confident3 Ų359.6 Ų59.62%0.01628%0.284CS..SBendtrans-60.3128.2178-75.4171000110.7D116 C117 F127 I220 N241 A245D116-L120 PolarHBondContact O-N 2.75Å; C117-L120 HydrophobicContact CB-CD1 4.3Å; C117-L120 WeakPolarHBondContact O-CB 3.28Å; C117-L120 WeakPolarHBondContact O-CG 3.3Å; C117-L120 PolarHBondContact O-N 2.85Å; L120-F127 HydrophobicContact CB-CD2 4.25Å; L120-F127 HydrophobicContact CB-CG 4.39Å; L120-I220 HydrophobicContact CD1-CB 4.49Å; L120-I220 HydrophobicContact CD1-CD1 3.75Å; L120-I220 HydrophobicContact CD1-CG2 4.05Å; L120-N241 HydrophobicContact CD2-CB 4.07Å; L120-N241 VanDerWaalsContact CD2-ND2 3.3Å; L120-N241 WeakPolarHBondContact CD2-ND2 3.25Å; L120-N241 WeakPolarHBondContact CD2-O 3.46Å; L120-A245 HydrophobicContact CD1-CB 4.17Å; L120-A245 HydrophobicContact CD2-CB 3.85Å
121C81.1Confident89Confident37 Ų3760.4 Ų60.425%0.2529%0.289CS..SBendtrans33.870.9176.4-56.60000113.1R119 D123 F124 F127R119-C121 PolarHBondContact O-N 2.99Å; C121-D123 PolarHBondContact O-N 3.11Å; C121-F124 HydrophobicContact CB-CB 3.79Å; C121-F124 WeakPolarHBondContact O-CA 3.29Å; C121-F124 PolarHBondContact O-N 3.28Å; C121-F124 VanDerWaalsContact O-O 3.07Å; C121-F127 HydrophobicContact CB-CD2 4.01Å; C121-F127 HydrophobicContact CB-CE2 3.89Å
122P78.9Confident89Confident63 Ų6363.8 Ų63.841%0.40930%0.303SS..THydrogen-bonded Turntrans-61.2-26.2-168.624.9-34.8000113.9F124 R128P122-F124 VanDerWaalsContact C-N 3.3Å; P122-R128 PolarHBondContact O-NH1 2.88Å; P122-R128 PolarHBondContact O-NH2 2.97Å
123D80.1Confident88.9Confident166 Ų16662 Ų6289%0.88829%0.293SS*.THydrogen-bonded Turntrans-86.61.5177.6-53.3-48.6000113.2C121C121-D123 PolarHBondContact O-N 3.11Å
124F86.1Confident88.4Confident63 Ų6363 Ų6328%0.27630%0.3SS..  trans-121.5110.1179-171.1-130.1000110.3C121 P122 F126 F127 Y249 L341C121-F124 HydrophobicContact CB-CB 3.79Å; C121-F124 WeakPolarHBondContact O-CA 3.29Å; C121-F124 PolarHBondContact O-N 3.28Å; C121-F124 VanDerWaalsContact O-O 3.07Å; P122-F124 VanDerWaalsContact C-N 3.3Å; F124-F126 VanDerWaalsContact C-N 3.28Å; F124-F126 HydrophobicContact CD1-CB 3.7Å; F124-F126 HydrophobicContact CE1-CB 3.25Å; F124-F126 HydrophobicContact CE1-CD1 4.22Å; F124-F126 AromaticContact CE1-CG 3.9Å; F124-F126 HydrophobicContact CE1-CG 3.9Å; F124-F126 HydrophobicContact CE2-CB 4.19Å; F124-F126 HydrophobicContact CG-CB 4.35Å; F124-F126 HydrophobicContact CZ-CB 3.53Å; F124-F126 HydrophobicContact CZ-CG 4.25Å; F124-F126 PolarHBondContact O-N 3.47Å; F124-F127 HydrophobicContact CD1-CD2 4.16Å; F124-F127 AromaticContact CD1-CE2 3.88Å; F124-F127 HydrophobicContact CD1-CE2 3.88Å; F124-F127 HydrophobicContact CE1-CE2 4.4Å; F124-Y249 AromaticContact CE1-CD2 3.8Å; F124-Y249 HydrophobicContact CE1-CD2 3.8Å; F124-Y249 AromaticContact CE1-CE2 3.63Å; F124-Y249 HydrophobicContact CE1-CE2 3.63Å; F124-Y249 HydrophobicContact CZ-CD2 4.14Å; F124-Y249 AromaticContact CZ-CE2 3.47Å; F124-Y249 HydrophobicContact CZ-CE2 3.47Å; F124-Y249 VanDerWaalsContact CZ-CE2 3.47Å; F124-Y249 AromaticContact CZ-CZ 3.98Å; F124-L341 HydrophobicContact CD1-CD2 3.94Å; F124-L341 HydrophobicContact CE1-CD2 3.45Å; F124-L341 VanDerWaalsContact CE1-CD2 3.45Å; F124-L341 HydrophobicContact CZ-CD2 4.11Å
125D89.1Confident87.8Confident73 Ų7362.4 Ų62.439%0.3930%0.297SS..G310 helixtrans-74.9-14.9-169.571.6-26.3000114.2F127 R128 R129D125-F127 VanDerWaalsContact C-N 3.28Å; D125-F127 PolarHBondContact O-N 3.41Å; D125-F127 VanDerWaalsContact O-N 3.16Å; D125-R128 WeakPolarHBondContact O-CA 3.5Å; D125-R128 PolarHBondContact O-N 2.91Å; D125-R129 VanDerWaalsContact CG-NE 3.3Å; D125-R129 PolarHBondContact O-N 3.09Å; D125-R129 IonicContact OD1-CZ 3.11Å; D125-R129 IonicContact OD1-NE 2.63Å; D125-R129 PolarHBondContact OD1-NE 3.26Å; D125-R129 IonicContact OD1-NH2 3.13Å; D125-R129 PolarHBondContact OD1-NH2 3.13Å; D125-R129 IonicContact OD2-CZ 2.74Å; D125-R129 IonicContact OD2-NE 2.74Å; D125-R129 PolarHBondContact OD2-NE 3.44Å; D125-R129 IonicContact OD2-NH2 2.73Å; D125-R129 PolarHBondContact OD2-NH2 3.47Å
126F93.1Very high87Confident15 Ų1560.5 Ų60.57%0.06629%0.291CS..G310 helixtrans-45.8-49.2-179.3174.3-97.1000112.8F124 R128 R129 H216 Y248 Y249 A252 T253F124-F126 VanDerWaalsContact C-N 3.28Å; F124-F126 HydrophobicContact CD1-CB 3.7Å; F124-F126 HydrophobicContact CE1-CB 3.25Å; F124-F126 HydrophobicContact CE1-CD1 4.22Å; F124-F126 AromaticContact CE1-CG 3.9Å; F124-F126 HydrophobicContact CE1-CG 3.9Å; F124-F126 HydrophobicContact CE2-CB 4.19Å; F124-F126 HydrophobicContact CG-CB 4.35Å; F124-F126 HydrophobicContact CZ-CB 3.53Å; F124-F126 HydrophobicContact CZ-CG 4.25Å; F124-F126 PolarHBondContact O-N 3.47Å; F126-R128 PolarHBondContact O-N 3.39Å; F126-R128 VanDerWaalsContact O-N 3.16Å; F126-R129 WeakPolarHBondContact O-CB 3.47Å; F126-R129 PolarHBondContact O-N 3.27Å; F126-R129 VanDerWaalsContact O-N 3.08Å; F126-H216 HydrophobicContact CE1-CB 4.18Å; F126-H216 AromaticContact CE1-CG 3.92Å; F126-H216 AromaticContact CE2-CD2 3.95Å; F126-H216 AromaticContact CE2-NE2 3.73Å; F126-H216 AromaticContact CZ-CD2 3.82Å; F126-H216 AromaticContact CZ-CE1 3.72Å; F126-H216 AromaticContact CZ-CG 3.86Å; F126-H216 AromaticContact CZ-ND1 3.8Å; F126-H216 AromaticContact CZ-NE2 3.74Å; F126-H216 PolarHBondContact O-CD2 2.74Å; F126-Y248 HydrophobicContact CE1-CD1 4.36Å; F126-Y248 HydrophobicContact CE1-CE1 4.27Å; F126-Y249 AromaticContact CD1-CD2 3.65Å; F126-Y249 HydrophobicContact CD1-CD2 3.65Å; F126-Y249 HydrophobicContact CD1-CE2 4.33Å; F126-Y249 HydrophobicContact CD2-CD2 4.08Å; F126-Y249 HydrophobicContact CD2-CE2 4.06Å; F126-Y249 AromaticContact CE1-CD2 3.72Å; F126-Y249 HydrophobicContact CE1-CD2 3.72Å; F126-Y249 HydrophobicContact CE2-CD2 4.14Å; F126-Y249 HydrophobicContact CE2-CE2 4.34Å; F126-Y249 AromaticContact CG-CD2 3.85Å; F126-Y249 HydrophobicContact CG-CD2 3.85Å; F126-Y249 HydrophobicContact CG-CE2 4.06Å; F126-Y249 AromaticContact CZ-CD2 3.97Å; F126-Y249 HydrophobicContact CZ-CD2 3.97Å; F126-A252 HydrophobicContact CZ-CB 3.89Å; F126-T253 HydrophobicContact CD2-CG2 4.28Å; F126-T253 HydrophobicContact CE2-CG2 3.58Å; F126-T253 HydrophobicContact CZ-CG2 4.03Å
127F93Very high86.3Confident3 Ų363.4 Ų63.41%0.01331%0.312CS..G310 helixtrans-66.3-21.2-176-63.3-68.4000113.2L120 C121 F124 D125 H216 W217 I220 A245 Y248L120-F127 HydrophobicContact CB-CD2 4.25Å; L120-F127 HydrophobicContact CB-CG 4.39Å; C121-F127 HydrophobicContact CB-CD2 4.01Å; C121-F127 HydrophobicContact CB-CE2 3.89Å; F124-F127 HydrophobicContact CD1-CD2 4.16Å; F124-F127 AromaticContact CD1-CE2 3.88Å; F124-F127 HydrophobicContact CD1-CE2 3.88Å; F124-F127 HydrophobicContact CE1-CE2 4.4Å; D125-F127 VanDerWaalsContact C-N 3.28Å; D125-F127 PolarHBondContact O-N 3.41Å; D125-F127 VanDerWaalsContact O-N 3.16Å; F127-H216 PolarHBondContact O-N 3.02Å; F127-W217 HydrophobicContact CB-CB 4.31Å; F127-W217 PolarHBondContact O-N 3.19Å; F127-I220 HydrophobicContact CD1-CD1 3.57Å; F127-I220 HydrophobicContact CE1-CD1 3.52Å; F127-A245 HydrophobicContact CE1-CB 4.02Å; F127-A245 HydrophobicContact CE2-CB 4.47Å; F127-A245 HydrophobicContact CZ-CB 3.74Å; F127-Y248 HydrophobicContact CE1-CD1 4.43Å
128R91.4Very high85.8Confident121 Ų12164.8 Ų64.846%0.45732%0.32SS..G310 helixtrans-91.4-14.7177-59.3-176.4-173.4115.3-0.8113.3P122 D125 F126P122-R128 PolarHBondContact O-NH1 2.88Å; P122-R128 PolarHBondContact O-NH2 2.97Å; D125-R128 WeakPolarHBondContact O-CA 3.5Å; D125-R128 PolarHBondContact O-N 2.91Å; F126-R128 PolarHBondContact O-N 3.39Å; F126-R128 VanDerWaalsContact O-N 3.16Å
129R90.9Very high85.4Confident131 Ų13161 Ų6149%0.49430%0.301SS..SBendtrans-71.7148.1176.3-66.1178.9-172.2172.92.8110.3D125 F126 P215 H216D125-R129 VanDerWaalsContact CG-NE 3.3Å; D125-R129 PolarHBondContact O-N 3.09Å; D125-R129 IonicContact OD1-CZ 3.11Å; D125-R129 IonicContact OD1-NE 2.63Å; D125-R129 PolarHBondContact OD1-NE 3.26Å; D125-R129 IonicContact OD1-NH2 3.13Å; D125-R129 PolarHBondContact OD1-NH2 3.13Å; D125-R129 IonicContact OD2-CZ 2.74Å; D125-R129 IonicContact OD2-NE 2.74Å; D125-R129 PolarHBondContact OD2-NE 3.44Å; D125-R129 IonicContact OD2-NH2 2.73Å; D125-R129 PolarHBondContact OD2-NH2 3.47Å; F126-R129 WeakPolarHBondContact O-CB 3.47Å; F126-R129 PolarHBondContact O-N 3.27Å; F126-R129 VanDerWaalsContact O-N 3.08Å; R129-P215 VanDerWaalsContact O-CA 3.3Å; R129-P215 WeakPolarHBondContact O-CA 3.32Å; R129-H216 PolarHBondContact O-CD2 2.73Å; R129-H216 VanDerWaalsContact O-CD2 3.3Å; R129-H216 PolarHBondContact O-N 2.96Å; R129-H216 VanDerWaalsContact O-N 3.08Å
130P91.3Very high84.8Confident66 Ų6655 Ų5543%0.42929%0.288SS..BIsolated β-bridgetrans-64.6137.9174.227.7-34.2000110.8E213 E214P130-E213 HydrophobicContact CB-CB 4.15Å; P130-E213 HydrophobicContact CB-CG 4.31Å; P130-E214 CarbonylContact C-O 3.59Å; P130-E214 WeakPolarHBondContact CA-O 3.3Å
131T91.9Very high83.8Confident18 Ų1864 Ų6411%0.1133%0.328CS..PPolyproline II helixtrans-73.6143.5171.1176.70000110.8Y133 E214 V219T131-Y133 PolarHBondContact O-N 3.48Å; T131-Y133 PolarHBondContact OG1-N 2.93Å; T131-Y133 VanDerWaalsContact OG1-N 3.12Å; T131-Y133 PolarHBondContact OG1-O 3.49Å; T131-E214 HydrophobicContact CG2-CB 3.98Å; T131-E214 HydrophobicContact CG2-CG 4.16Å; T131-E214 WeakPolarHBondContact CG2-O 3.08Å; T131-E214 PolarHBondContact N-O 2.62Å; T131-V219 HydrophobicContact CG2-CG2 3.88Å
132E88.8Confident82.8Confident132 Ų13269 Ų6962%0.61735%0.347SS*.SBendtrans-62.9-25.9170-65.2178.4174.100111.9R260E132-R260 IonicContact OE2-CZ 2.91Å; E132-R260 IonicContact OE2-NE 2.95Å; E132-R260 PolarHBondContact OE2-NE 3.25Å; E132-R260 VanDerWaalsContact OE2-NE 3.15Å; E132-R260 IonicContact OE2-NH2 3.99Å; E132-R260 PolarHBondContact OE2-NH2 3.06Å
133Y88.7Confident82.1Confident32 Ų3266.3 Ų66.313%0.12533%0.329CS..SBendtrans-121.579.5-173.9-53.3-73.6000110.3T131 E257 R260 K261T131-Y133 PolarHBondContact O-N 3.48Å; T131-Y133 PolarHBondContact OG1-N 2.93Å; T131-Y133 VanDerWaalsContact OG1-N 3.12Å; T131-Y133 PolarHBondContact OG1-O 3.49Å; Y133-E257 WeakPolarHBondContact OH-CG 3.41Å; Y133-R260 HydrophobicContact CD2-CB 4.42Å; Y133-R260 HydrophobicContact CE2-CB 3.67Å; Y133-K261 HydrophobicContact CD1-CB 4.01Å; Y133-K261 HydrophobicContact CD1-CG 3.83Å; Y133-K261 HydrophobicContact CE1-CB 3.77Å; Y133-K261 HydrophobicContact CE1-CD 4.47Å; Y133-K261 HydrophobicContact CE1-CG 3.91Å; Y133-K261 HydrophobicContact CE2-CB 4.34Å; Y133-K261 HydrophobicContact CG-CB 4.39Å; Y133-K261 HydrophobicContact CG-CG 4.43Å
134S82.7Confident81.3Confident19 Ų1961.3 Ų61.313%0.13331%0.306CS..  trans-68.2157.3176.2680000111.7L136 S137 L138 E214S134-L136 PolarHBondContact O-N 2.91Å; S134-L136 VanDerWaalsContact O-N 3.16Å; S134-S137 PolarHBondContact N-OG 2.81Å; S134-S137 WeakPolarHBondContact O-CA 3.31Å; S134-S137 WeakPolarHBondContact O-CB 3.49Å; S134-S137 PolarHBondContact O-N 3.22Å; S134-S137 PolarHBondContact O-OG 3.38Å; S134-S137 PolarHBondContact OG-N 3.48Å; S134-L138 PolarHBondContact O-N 3.19Å; S134-L138 VanDerWaalsContact O-N 3.13Å; S134-E214 WeakPolarHBondContact CA-OE2 3.3Å
135C78.4Confident80.1Confident2 Ų258.9 Ų58.91%0.01430%0.296CS..Hα-helixtrans-48.3-42.6173.8-159.90000112.5S137 L138 F139 V143 E214C135-S137 VanDerWaalsContact C-N 3.29Å; C135-S137 PolarHBondContact O-N 3.14Å; C135-L138 PolarHBondContact O-N 2.93Å; C135-F139 HydrophobicContact CB-CD2 4.39Å; C135-F139 WeakPolarHBondContact O-CD2 3.03Å; C135-F139 PolarHBondContact O-N 3.25Å; C135-F139 WeakPolarHBondContact SG-CD2 3.43Å; C135-V143 WeakPolarHBondContact SG-CG1 3.43Å; C135-E214 WeakPolarHBondContact CB-OE1 3.31Å; C135-E214 PolarHBondContact N-OE2 3Å
136L74.1Confident79Confident59 Ų5955.7 Ų55.731%0.30928%0.281SS..Hα-helixtrans-57.6-40.8176.1-169.680.8000112.6S134 G140 K141 V145S134-L136 PolarHBondContact O-N 2.91Å; S134-L136 VanDerWaalsContact O-N 3.16Å; L136-G140 CarbonylContact O-C 3.41Å; L136-G140 VanDerWaalsContact O-CA 3.32Å; L136-G140 WeakPolarHBondContact O-CA 3.18Å; L136-G140 PolarHBondContact O-N 2.65Å; L136-G140 VanDerWaalsContact O-N 3.14Å; L136-K141 HydrophobicContact CD1-CB 4.44Å; L136-K141 HydrophobicContact CD1-CG 4.43Å; L136-V145 HydrophobicContact CB-CG2 4.28Å
137S78.2Confident77.9Confident71 Ų7155.9 Ų55.950%0.49728%0.283SS..Hα-helixtrans-74.2-31.1-178.776.70000113S134 C135S134-S137 PolarHBondContact N-OG 2.81Å; S134-S137 WeakPolarHBondContact O-CA 3.31Å; S134-S137 WeakPolarHBondContact O-CB 3.49Å; S134-S137 PolarHBondContact O-N 3.22Å; S134-S137 PolarHBondContact O-OG 3.38Å; S134-S137 PolarHBondContact OG-N 3.48Å; C135-S137 VanDerWaalsContact C-N 3.29Å; C135-S137 PolarHBondContact O-N 3.14Å
138L80.4Confident76.9Confident31 Ų3156 Ų5616%0.16228%0.284CS..Hα-helixtrans-89.5-40.2-175.8-68.4176.7000112.9S134 C135 K261S134-L138 PolarHBondContact O-N 3.19Å; S134-L138 VanDerWaalsContact O-N 3.13Å; C135-L138 PolarHBondContact O-N 2.93Å; L138-K261 HydrophobicContact CD2-CG 3.82Å; L138-K261 VanDerWaalsContact CD2-O 3.27Å; L138-K261 WeakPolarHBondContact CD2-O 3.34Å
139F81.4Confident76Confident18 Ų1853.3 Ų53.38%0.07927%0.274CS..Hα-helixtrans-114.8-4.6-170-52.5-71.6000113.6Y69 E70 I73 C135 V143 M265Y69-F139 HydrophobicContact CD1-CE1 4.43Å; Y69-F139 HydrophobicContact CD1-CZ 4.17Å; Y69-F139 HydrophobicContact CE1-CZ 4.01Å; E70-F139 HydrophobicContact CB-CD1 4.24Å; E70-F139 HydrophobicContact CB-CE1 4.14Å; E70-F139 HydrophobicContact CG-CD1 4.02Å; E70-F139 HydrophobicContact CG-CE1 4.43Å; I73-F139 HydrophobicContact CB-CD1 4.43Å; I73-F139 HydrophobicContact CB-CE1 4.4Å; I73-F139 HydrophobicContact CG1-CD1 4.4Å; I73-F139 HydrophobicContact CG1-CE1 3.91Å; I73-F139 HydrophobicContact CG1-CE2 4.19Å; I73-F139 HydrophobicContact CG1-CZ 3.81Å; I73-F139 HydrophobicContact CG2-CB 4.49Å; I73-F139 HydrophobicContact CG2-CD1 4.34Å; I73-F139 HydrophobicContact CG2-CD2 4.23Å; I73-F139 HydrophobicContact CG2-CG 4.1Å; C135-F139 HydrophobicContact CB-CD2 4.39Å; C135-F139 WeakPolarHBondContact O-CD2 3.03Å; C135-F139 PolarHBondContact O-N 3.25Å; C135-F139 WeakPolarHBondContact SG-CD2 3.43Å; F139-V143 HydrophobicContact CB-CG2 4.01Å; F139-M265 HydrophobicContact CD1-CE 4.34Å; F139-M265 HydrophobicContact CE1-CE 3.34Å; F139-M265 HydrophobicContact CZ-CE 3.78Å
140G74.4Confident74.9Confident31 Ų3153 Ų5332%0.3227%0.272SS..  trans97.8175.1175.100000114.6L136 E142 V143L136-G140 CarbonylContact O-C 3.41Å; L136-G140 VanDerWaalsContact O-CA 3.32Å; L136-G140 WeakPolarHBondContact O-CA 3.18Å; L136-G140 PolarHBondContact O-N 2.65Å; L136-G140 VanDerWaalsContact O-N 3.14Å; G140-E142 PolarHBondContact O-N 2.92Å; G140-E142 VanDerWaalsContact O-N 3.1Å; G140-V143 PolarHBondContact O-N 3.03Å
141K64.9Low73.8Confident194 Ų19451.4 Ų51.484%0.84326%0.258SS*.THydrogen-bonded Turntrans-64.8-15.6-173.1-69-176-179.6179.10114.8L136 V143L136-K141 HydrophobicContact CD1-CB 4.44Å; L136-K141 HydrophobicContact CD1-CG 4.43Å; K141-V143 PolarHBondContact O-N 3.09Å
142E61.8Low72.1Confident140 Ų14051.5 Ų51.565%0.65426%0.263SS*.THydrogen-bonded Turntrans-73.4-16.9-179.7-63175.6-171.600112.4F78 G140 P144F78-E142 WeakPolarHBondContact CD2-O 3.45Å; F78-E142 HydrophobicContact CE2-CB 4.32Å; G140-E142 PolarHBondContact O-N 2.92Å; G140-E142 VanDerWaalsContact O-N 3.1Å; E142-P144 WeakPolarHBondContact O-CD 3.32Å
143V64Low70.6Confident7 Ų750.7 Ų50.74%0.04226%0.259CS..SBendtrans-109.888.1178.6-163.60000109.8I73 V77 C135 F139 G140 K141I73-V143 HydrophobicContact CG2-CG2 4.43Å; V77-V143 HydrophobicContact CG1-CG1 4.4Å; C135-V143 WeakPolarHBondContact SG-CG1 3.43Å; F139-V143 HydrophobicContact CB-CG2 4.01Å; G140-V143 PolarHBondContact O-N 3.03Å; K141-V143 PolarHBondContact O-N 3.09Å
144P63.3Low68.6Low61 Ų6155.1 Ų55.140%0.39629%0.29SS..  trans-64.5143.7179.417-21.9000110.9E142 G146 V147E142-P144 WeakPolarHBondContact O-CD 3.32Å; P144-G146 PolarHBondContact O-N 2.9Å; P144-V147 HydrophobicContact CB-CG2 4.3Å; P144-V147 HydrophobicContact CG-CG2 3.55Å; P144-V147 WeakPolarHBondContact O-CG2 3.41Å; P144-V147 PolarHBondContact O-N 2.96Å
145V60.7Low66.9Low12 Ų1259.4 Ų59.47%0.07332%0.32CS..THydrogen-bonded Turntrans-56.9140.9174.6175.10000109.7L136 V147 R150 E214L136-V145 HydrophobicContact CB-CG2 4.28Å; V145-V147 VanDerWaalsContact C-N 3.35Å; V145-V147 PolarHBondContact O-N 3.23Å; V145-R150 PolarHBondContact O-NH1 3.08Å; V145-R150 PolarHBondContact O-NH2 2.85Å; V145-R150 VanDerWaalsContact O-NH2 3.17Å; V145-E214 HydrophobicContact CG1-CB 3.69Å; V145-E214 HydrophobicContact CG1-CG 4.27Å; V145-E214 HydrophobicContact CG2-CB 4.35Å
146G66.7Low65.4Low6 Ų663 Ų636%0.06235%0.35CS..THydrogen-bonded Turntrans69.123.1178.700000115.3P144 L148 R149 R150P144-G146 PolarHBondContact O-N 2.9Å; G146-L148 PolarHBondContact O-N 3.07Å; G146-R149 PolarHBondContact O-N 3.49Å; G146-R150 WeakPolarHBondContact O-CG 3.45Å; G146-R150 PolarHBondContact O-N 3.14Å
147V69.9Low63.9Low19 Ų1967.5 Ų67.512%0.11537%0.373CS..Hα-helixtrans-51.6-47.2171.4163.20000111V77 P144 V145 R150 R151V77-V147 HydrophobicContact CG1-CB 4.3Å; V77-V147 HydrophobicContact CG1-CG1 3.94Å; P144-V147 HydrophobicContact CB-CG2 4.3Å; P144-V147 HydrophobicContact CG-CG2 3.55Å; P144-V147 WeakPolarHBondContact O-CG2 3.41Å; P144-V147 PolarHBondContact O-N 2.96Å; V145-V147 VanDerWaalsContact C-N 3.35Å; V145-V147 PolarHBondContact O-N 3.23Å; V147-R150 PolarHBondContact O-N 2.8Å; V147-R151 PolarHBondContact O-N 2.92Å
148L71.8Confident62.3Low7 Ų772.4 Ų72.44%0.03739%0.388CS..Hα-helixtrans-69.2-44.6-179.6-65.6-177.3000112V77 L110 G146 R150 R151 G152 E221 R222 Y225V77-L148 HydrophobicContact CG1-CD2 4.15Å; V77-L148 HydrophobicContact CG1-CG 4.21Å; L110-L148 HydrophobicContact CD1-CB 4.09Å; L110-L148 HydrophobicContact CD1-CD1 4.24Å; L110-L148 HydrophobicContact CD1-CD2 4.3Å; L110-L148 HydrophobicContact CD1-CG 4.43Å; L110-L148 HydrophobicContact CD2-CB 4.11Å; L110-L148 HydrophobicContact CD2-CD2 3.88Å; G146-L148 PolarHBondContact O-N 3.07Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 2.96Å; L148-R151 WeakPolarHBondContact O-CB 3.44Å; L148-R151 PolarHBondContact O-N 2.94Å; L148-G152 PolarHBondContact O-N 3.35Å; L148-E221 WeakPolarHBondContact CB-OE2 3.18Å; L148-E221 HydrophobicContact CD1-CG 4.4Å; L148-R222 HydrophobicContact CD1-CB 4.01Å; L148-R222 HydrophobicContact CD1-CG 4.27Å; L148-Y225 HydrophobicContact CD1-CD1 4.2Å; L148-Y225 HydrophobicContact CD1-CG 4.38Å; L148-Y225 HydrophobicContact CD2-CD1 3.97Å; L148-Y225 HydrophobicContact CD2-CE1 4.06Å
149R71.1Confident60.8Low64 Ų6476 Ų7624%0.24242%0.416CS..Hα-helixtrans-50.7-48.3172-170.1-163.6-54.3-175.56.9112G146 R151 G152 E153 E218G146-R149 PolarHBondContact O-N 3.49Å; R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 3.38Å; R149-G152 PolarHBondContact O-N 3.2Å; R149-G152 VanDerWaalsContact O-N 3.13Å; R149-E153 PolarHBondContact O-N 3.49Å; R149-E218 WeakPolarHBondContact CB-OE1 3.44Å; R149-E218 IonicContact CZ-OE1 2.7Å; R149-E218 IonicContact NE-OE1 2.75Å; R149-E218 PolarHBondContact NE-OE1 3.44Å; R149-E218 IonicContact NH2-OE1 2.64Å; R149-E218 PolarHBondContact NH2-OE1 3.11Å; R149-E218 IonicContact NH2-OE2 3.04Å; R149-E218 PolarHBondContact NH2-OE2 2.97Å
150R68.1Low59.4Low123 Ų12381.7 Ų81.746%0.46444%0.437SS..Hα-helixtrans-66.4-21.7179.8-75.1-169.6-64.6-81.9-5.4114.1V145 G146 V147 L148V145-R150 PolarHBondContact O-NH1 3.08Å; V145-R150 PolarHBondContact O-NH2 2.85Å; V145-R150 VanDerWaalsContact O-NH2 3.17Å; G146-R150 WeakPolarHBondContact O-CG 3.45Å; G146-R150 PolarHBondContact O-N 3.14Å; V147-R150 PolarHBondContact O-N 2.8Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 2.96Å
151R68.8Low58.8Low33 Ų3383 Ų8313%0.12544%0.442CS..Hα-helixtrans-76-34.4172.3-69-168.9-173.5-178.712.1112.1V77 S80 C81 L110 V147 L148 R149V77-R151 PolarHBondContact O-NH2 2.62Å; S80-R151 PolarHBondContact O-NH2 3.42Å; C81-R151 VanDerWaalsContact SG-CZ 3.52Å; C81-R151 PolarHBondContact SG-NE 3.26Å; C81-R151 PolarHBondContact SG-NH2 3.06Å; L110-R151 HydrophobicContact CD2-CB 3.98Å; V147-R151 PolarHBondContact O-N 2.92Å; L148-R151 WeakPolarHBondContact O-CB 3.44Å; L148-R151 PolarHBondContact O-N 2.94Å; R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 3.38Å
152G56.2Low58.7Low21 Ų2179.1 Ų79.122%0.21643%0.429CS..Hα-helixtrans-76.7-29.7177.900000113.4L148 R149 T154L148-G152 PolarHBondContact O-N 3.35Å; R149-G152 PolarHBondContact O-N 3.2Å; R149-G152 VanDerWaalsContact O-N 3.13Å; G152-T154 PolarHBondContact O-N 2.76Å
153E56.3Low58.8Low114 Ų11477.3 Ų77.353%0.53342%0.424SS..SBendtrans-67.499.7165.5-69.9173.5-163.600107.5R149 S155R149-E153 PolarHBondContact O-N 3.49Å; E153-S155 PolarHBondContact O-N 3.2Å
154T48.3Very low58.9Low125 Ų12584 Ų8477%0.76745%0.452SS*.  trans-45.8121.2165.538.90000106.4G152 A156G152-T154 PolarHBondContact O-N 2.76Å; T154-A156 PolarHBondContact O-N 3.07Å
155S47.1Very low59Low110 Ų11084.3 Ų84.377%0.76945%0.451SS*.  trans-53.484.4159.4-61.90000105.3E153 L157E153-S155 PolarHBondContact O-N 3.2Å; S155-L157 PolarHBondContact O-N 3.45Å
156A45.6Very low59.1Low77 Ų7792.9 Ų92.964%0.63650%0.495SS*.  trans-5897.8161.400000100.7T154 Q158T154-A156 PolarHBondContact O-N 3.07Å; A156-Q158 PolarHBondContact O-N 3.31Å
157L42.2Very low59.1Low153 Ų15396.6 Ų96.680%0.80153%0.525SS*.  trans-42.2115.3171.8-73.4169.9000103.1S155 S159S155-L157 PolarHBondContact O-N 3.45Å; L157-S159 PolarHBondContact O-N 3.49Å
158Q45.2Very low58.6Low174 Ų17498 Ų9881%0.81354%0.544SS*.  trans-65.685.9-173-74.8-173.4-100106.5A156 R160A156-Q158 PolarHBondContact O-N 3.31Å; Q158-R160 PolarHBondContact O-N 3.27Å
159S48.2Very low58.3Low108 Ų108101.3 Ų101.376%0.75556%0.564SS**  trans-83.2111.9-177.562.50000105.7L157L157-S159 PolarHBondContact O-N 3.49Å
160R53.6Low58.2Low137 Ų137101.5 Ų101.552%0.51757%0.573SS.*PPolyproline II helixtrans-97120.4170.8-69.4-175.3175.1-157.5-2.4107.9Q158 L162Q158-R160 PolarHBondContact O-N 3.27Å; R160-L162 PolarHBondContact O-N 3.21Å
161S60.4Low58.2Low59 Ų5999.6 Ų99.641%0.41357%0.572SS.*PPolyproline II helixtrans-66.5133.6173.1-58.50000109.2I173 L175S161-I173 VanDerWaalsContact O-CB 3.3Å; S161-I173 WeakPolarHBondContact O-CB 3.41Å; S161-I173 WeakPolarHBondContact O-CG1 3.43Å; S161-I173 PolarHBondContact O-N 3.42Å; S161-L175 WeakPolarHBondContact OG-CD1 3.44Å
162L63.3Low57.7Low112 Ų112103.9 Ų103.959%0.58660%0.595SS**EExtended strand (participates in β ladder)trans-102.1139.6176.3-63.8172.5000108.8R160 T170 N171 M172R160-L162 PolarHBondContact O-N 3.21Å; L162-T170 HydrophobicContact CB-CG2 3.71Å; L162-T170 HydrophobicContact CD1-CG2 4.07Å; L162-T170 HydrophobicContact CD2-CG2 4.21Å; L162-T170 HydrophobicContact CG-CG2 4.22Å; L162-N171 CarbonylContact C-O 3.23Å; L162-N171 WeakPolarHBondContact CA-O 3.25Å; L162-M172 HydrophobicContact CD2-CB 4.33Å; L162-M172 HydrophobicContact CD2-CG 3.54Å
163N63.8Low57.8Low102 Ų102106.2 Ų106.255%0.54560%0.601SS.*EExtended strand (participates in β ladder)trans-122.3139.8170-155.9-6.4000110.6T170 N171 I173N163-T170 CarbonylContact O-C 3.54Å; N163-N171 PolarHBondContact N-O 3.44Å; N163-N171 PolarHBondContact O-N 3.42Å; N163-I173 HydrophobicContact CB-CD1 3.8Å; N163-I173 HydrophobicContact CB-CG1 3.87Å
164K65.7Low57.6Low146 Ų146107.5 Ų107.564%0.63561%0.607SS**EExtended strand (participates in β ladder)trans-92.5125.9172.8-70.4-175-180-178.30109.1V169 T170K164-V169 WeakPolarHBondContact CA-O 3.37Å; K164-T170 WeakPolarHBondContact CE-OG1 3.43Å; K164-T170 HydrophobicContact CG-CG2 4.38Å; K164-T170 WeakPolarHBondContact CG-OG1 3.46Å
165N65.2Low57.3Low68 Ų68106.5 Ų106.536%0.36460%0.596SS.*  trans-75.8169.6170.270.812000110.7A167 G168 V169N165-A167 PolarHBondContact O-N 3.28Å; N165-A167 PolarHBondContact OD1-N 2.95Å; N165-A167 VanDerWaalsContact OD1-N 3.17Å; N165-G168 PolarHBondContact O-N 3.24Å; N165-G168 PolarHBondContact OD1-N 2.81Å; N165-V169 PolarHBondContact N-O 3.43Å; N165-V169 WeakPolarHBondContact OD1-CB 3.47Å; N165-V169 PolarHBondContact OD1-N 3.49Å; N165-V169 PolarHBondContact OD1-O 3.24Å
166L63Low56.9Low193 Ų193106 Ų106100%1.0159%0.593SS**THydrogen-bonded Turntrans-58.4-19.9-179.6-75.7159.8000113.9G168L166-G168 VanDerWaalsContact C-N 3.29Å
167A68Low56.6Low83 Ų83108.7 Ų108.769%0.68660%0.602SS**THydrogen-bonded Turntrans-86.85.117500000113.4N165 V169N165-A167 PolarHBondContact O-N 3.28Å; N165-A167 PolarHBondContact OD1-N 2.95Å; N165-A167 VanDerWaalsContact OD1-N 3.17Å; A167-V169 VanDerWaalsContact C-N 3.28Å; A167-V169 HydrophobicContact CB-CG2 4.44Å; A167-V169 PolarHBondContact O-N 2.91Å
168G57.6Low56.1Low50 Ų50112 Ų11252%0.51561%0.605SS.*SBendtrans79.81.8-178.600000114.9N165 L166N165-G168 PolarHBondContact O-N 3.24Å; N165-G168 PolarHBondContact OD1-N 2.81Å; L166-G168 VanDerWaalsContact C-N 3.29Å
169V66.4Low55.5Low76 Ų76107.3 Ų107.346%0.46160%0.596SS.*  trans-77.6127.3178.8-1760000109.5K164 N165 A167K164-V169 WeakPolarHBondContact CA-O 3.37Å; N165-V169 PolarHBondContact N-O 3.43Å; N165-V169 WeakPolarHBondContact OD1-CB 3.47Å; N165-V169 PolarHBondContact OD1-N 3.49Å; N165-V169 PolarHBondContact OD1-O 3.24Å; A167-V169 VanDerWaalsContact C-N 3.28Å; A167-V169 HydrophobicContact CB-CG2 4.44Å; A167-V169 PolarHBondContact O-N 2.91Å
170T68.9Low54.8Low68 Ų68107.7 Ų107.742%0.41760%0.596SS.*EExtended strand (participates in β ladder)trans-89.6114.6-179.9-52.80000109.8L162 N163 K164L162-T170 HydrophobicContact CB-CG2 3.71Å; L162-T170 HydrophobicContact CD1-CG2 4.07Å; L162-T170 HydrophobicContact CD2-CG2 4.21Å; L162-T170 HydrophobicContact CG-CG2 4.22Å; N163-T170 CarbonylContact O-C 3.54Å; K164-T170 WeakPolarHBondContact CE-OG1 3.43Å; K164-T170 HydrophobicContact CG-CG2 4.38Å; K164-T170 WeakPolarHBondContact CG-OG1 3.46Å
171N67.5Low53.5Low83 Ų83111.5 Ų111.544%0.44461%0.612SS.*EExtended strand (participates in β ladder)trans-107.8142.7179.9-68.2-28.4000111L162 N163L162-N171 CarbonylContact C-O 3.23Å; L162-N171 WeakPolarHBondContact CA-O 3.25Å; N163-N171 PolarHBondContact N-O 3.44Å; N163-N171 PolarHBondContact O-N 3.42Å
172M58.3Low52Low123 Ų123115.2 Ų115.261%0.60662%0.623SS**EExtended strand (participates in β ladder)trans-72.2127.5169.8-75.9-173.5-70.400111L162L162-M172 HydrophobicContact CD2-CB 4.33Å; L162-M172 HydrophobicContact CD2-CG 3.54Å
173I58.9Low50.5Low69 Ų69115.5 Ų115.535%0.35463%0.631SS.*  trans-84.5119.1169.1-48174.5000107.3S161 N163 L175S161-I173 VanDerWaalsContact O-CB 3.3Å; S161-I173 WeakPolarHBondContact O-CB 3.41Å; S161-I173 WeakPolarHBondContact O-CG1 3.43Å; S161-I173 PolarHBondContact O-N 3.42Å; N163-I173 HydrophobicContact CB-CD1 3.8Å; N163-I173 HydrophobicContact CB-CG1 3.87Å; I173-L175 VanDerWaalsContact C-N 3.3Å; I173-L175 HydrophobicContact CB-CD1 4.09Å; I173-L175 HydrophobicContact CG2-CD1 3.84Å; I173-L175 HydrophobicContact CG2-CG 4.36Å; I173-L175 PolarHBondContact O-N 2.86Å
174H52.1Low48.7Very low141 Ų141117.7 Ų117.765%0.65364%0.643SS**  trans-7883.1170.4-164.8-78.2000108.8S176H174-S176 PolarHBondContact O-N 3.35Å
175L41.9Very low47.1Very low104 Ų104117.6 Ų117.655%0.54565%0.645SS.*  trans-69.2127.5164.2-79.1105.5000107.7S161 I173 T177S161-L175 WeakPolarHBondContact OG-CD1 3.44Å; I173-L175 VanDerWaalsContact C-N 3.3Å; I173-L175 HydrophobicContact CB-CD1 4.09Å; I173-L175 HydrophobicContact CG2-CD1 3.84Å; I173-L175 HydrophobicContact CG2-CG 4.36Å; I173-L175 PolarHBondContact O-N 2.86Å; L175-T177 PolarHBondContact O-N 3.32Å
176S39.5Very low45.2Very low101 Ų101125.7 Ų125.771%0.70667%0.67SS**  trans-52.6116.8169.548.30000108.1H174 Y178H174-S176 PolarHBondContact O-N 3.35Å; S176-Y178 PolarHBondContact O-N 3.12Å; S176-Y178 VanDerWaalsContact O-N 3.16Å
177T38.3Very low43.4Very low132 Ų132125.2 Ų125.281%0.8167%0.667SS**  trans-43.8122.3177.6-40.30000108.7L175 A179L175-T177 PolarHBondContact O-N 3.32Å; T177-A179 VanDerWaalsContact C-N 3.33Å; T177-A179 PolarHBondContact O-N 3.49Å
178Y31.5Very low41.5Very low224 Ų224126.7 Ų126.788%0.87867%0.672SS**  trans-58.494.7-178.4-143.2-96.7000108.3S176S176-Y178 PolarHBondContact O-N 3.12Å; S176-Y178 VanDerWaalsContact O-N 3.16Å
179A33.1Very low40.1Very low74 Ų74129.8 Ų129.861%0.61269%0.686SS**  trans-75.1122.8168.400000106.4T177 Y181T177-A179 VanDerWaalsContact C-N 3.33Å; T177-A179 PolarHBondContact O-N 3.49Å; A179-Y181 PolarHBondContact O-N 3.49Å; A179-Y181 VanDerWaalsContact O-N 3.11Å
180P33.3Very low38.3Very low117 Ų117129.1 Ų129.176%0.7670%0.695SS**SBendtrans-61.8121-178.225.1-31.5000108.8
181Y26.7Very low36.4Very low217 Ų217134 Ų13485%0.85172%0.717SS**  trans63.891.6168.4-109.2-98000116.7A179A179-Y181 PolarHBondContact O-N 3.49Å; A179-Y181 VanDerWaalsContact O-N 3.11Å
182Q28.9Very low34.7Very low137 Ų137134.8 Ų134.864%0.6473%0.725SS**  trans-130.7122.1147.2-70.8-164.4-7.100109.4N184Q182-N184 PolarHBondContact O-N 3.37Å
183P31.7Very low33.4Very low118 Ų118133.1 Ų133.177%0.76672%0.722SS**THydrogen-bonded Turntrans-71.47-159.9-18.531.8000117.8
184N26.9Very low32.2Very low147 Ų147138 Ų13879%0.78674%0.744SS**THydrogen-bonded Turntrans-121.621.6-164-72.6-17.9000116.2Q182 R186Q182-N184 PolarHBondContact O-N 3.37Å; N184-R186 VanDerWaalsContact C-N 3.33Å; N184-R186 PolarHBondContact O-N 2.95Å
185H30.4Very low31.3Very low145 Ų145135.3 Ų135.367%0.67174%0.74SS**  trans-78.683.6172.5-73.3-75.8000111.2L187H185-L187 PolarHBondContact O-N 3.49Å
186R25.3Very low30.9Very low238 Ų238135.8 Ų135.890%0.89874%0.74SS**  trans-61.2118.7159.1-74.6-169.9178.7-167.30.4107.8N184 S188N184-R186 VanDerWaalsContact C-N 3.33Å; N184-R186 PolarHBondContact O-N 2.95Å; R186-S188 VanDerWaalsContact C-N 3.31Å; R186-S188 PolarHBondContact O-N 2.77Å
187L26.7Very low30.6Very low183 Ų183135.3 Ų135.396%0.95873%0.728SS**  trans-59.988.8175.8-62167000109.5H185H185-L187 PolarHBondContact O-N 3.49Å
188S27.3Very low30.4Very low113 Ų113133 Ų13379%0.7972%0.718SS**  trans-115.6118.7166-167.70000108.1R186R186-S188 VanDerWaalsContact C-N 3.31Å; R186-S188 PolarHBondContact O-N 2.77Å
189S27.6Very low30.5Very low115 Ų115130.7 Ų130.780%0.80471%0.712SS**  trans-70141.8-177.667.10000111.4
190G29.4Very low30.4Very low63 Ų63134.3 Ų134.365%0.64972%0.718SS**SBendtrans95.9120.9149.200000116.1
191L30Very low30.4Very low169 Ų169134.9 Ų134.989%0.88572%0.715SS**  trans68.462.7154.8-68.9148.2000116.5T193L191-T193 PolarHBondContact O-N 3.27Å
192V30.8Very low30.4Very low101 Ų101134 Ų13461%0.61271%0.71SS**  trans-83.3104.5158.2-174.10000108.2Q196V192-Q196 HydrophobicContact CG1-CB 3.64Å; V192-Q196 HydrophobicContact CG1-CG 4.25Å
193T30.4Very low30.4Very low87 Ų87134.7 Ų134.753%0.53472%0.718SS.*  trans-68.4147.2172.739.90000110.6L191 S195 Q196L191-T193 PolarHBondContact O-N 3.27Å; T193-S195 PolarHBondContact O-N 2.82Å; T193-Q196 PolarHBondContact O-N 2.95Å
194Q34.7Very low30.4Very low173 Ų173132.5 Ų132.581%0.80871%0.706SS**G310 helixtrans-46.2-24.2-175-109.2171.30.200115.3Q196 I197Q194-Q196 VanDerWaalsContact C-N 3.26Å; Q194-Q196 PolarHBondContact O-N 3.32Å; Q194-I197 HydrophobicContact CG-CD1 4.36Å; Q194-I197 PolarHBondContact O-N 2.85Å
195S33Very low30.6Very low83 Ų83131.7 Ų131.758%0.5870%0.702SS**G310 helixtrans-69.2-17.7179.561.70000114.4T193 S198T193-S195 PolarHBondContact O-N 2.82Å; S195-S198 PolarHBondContact O-OG 2.84Å
196Q33.4Very low30.9Very low114 Ų114136.5 Ų136.553%0.53371%0.714SS.*G310 helixtrans-85.7-18.4176.4-64.4-168.8300113.4V192 T193 Q194 S198 K199V192-Q196 HydrophobicContact CG1-CB 3.64Å; V192-Q196 HydrophobicContact CG1-CG 4.25Å; T193-Q196 PolarHBondContact O-N 2.95Å; Q194-Q196 VanDerWaalsContact C-N 3.26Å; Q194-Q196 PolarHBondContact O-N 3.32Å; Q196-S198 VanDerWaalsContact C-N 3.27Å; Q196-S198 PolarHBondContact O-N 2.72Å; Q196-K199 PolarHBondContact O-N 3.32Å
197I33.7Very low31.6Very low92 Ų92132.4 Ų132.447%0.47271%0.71SS.*Hα-helixtrans-65.3-33.2178.5-61174.2000110.8Q194 K199Q194-I197 HydrophobicContact CG-CD1 4.36Å; Q194-I197 PolarHBondContact O-N 2.85Å; I197-K199 VanDerWaalsContact C-N 3.29Å; I197-K199 PolarHBondContact O-N 2.89Å
198S34.5Very low32.2Very low84 Ų84128.4 Ų128.459%0.58770%0.697SS**Hα-helixtrans-73.3-16.8-178.561.80000114.3S195 Q196S195-S198 PolarHBondContact O-OG 2.84Å; Q196-S198 VanDerWaalsContact C-N 3.27Å; Q196-S198 PolarHBondContact O-N 2.72Å
199K33Very low33.2Very low174 Ų174125.1 Ų125.176%0.75767%0.672SS**Hα-helixtrans-92.4-26.1178.3-77.9-175.3177178.60113.7Q196 I197Q196-K199 PolarHBondContact O-N 3.32Å; I197-K199 VanDerWaalsContact C-N 3.29Å; I197-K199 PolarHBondContact O-N 2.89Å
200M30.1Very low34.4Very low151 Ų151122 Ų12274%0.74465%0.65SS**Hα-helixtrans-78.9-17.6-179.7-87.8176.5136.200114.2R202M200-R202 VanDerWaalsContact C-N 3.26Å; M200-R202 PolarHBondContact O-N 3.32Å
201N33Very low35.8Very low129 Ų129124.1 Ų124.169%0.6965%0.653SS**THydrogen-bonded Turntrans-77.63.5-179.3-102.79.2000115.6
202R28.7Very low37.3Very low198 Ų198122.3 Ų122.375%0.74764%0.639SS**THydrogen-bonded Turntrans-93.5-4.3-176.2-69.3-165.7-170.1-166.11.3116.1M200M200-R202 VanDerWaalsContact C-N 3.26Å; M200-R202 PolarHBondContact O-N 3.32Å
203N28.6Very low39.7Very low151 Ų151121.6 Ų121.681%0.80763%0.629SS**SBendtrans-123.425.5-171.3-75.17.1000114.7
204S31.9Very low42.4Very low73 Ų73117.6 Ų117.651%0.5161%0.605SS.*  trans-124.352.9174.4630000112.4W206S204-W206 PolarHBondContact O-N 2.82Å
205D30.8Very low45.2Very low130 Ų130109.5 Ų109.570%0.69557%0.567SS**G310 helixtrans-76.5-2.1178.9-74.8-22.5000113.7N207D205-N207 PolarHBondContact O-N 3.44Å
206W35Very low48Very low246 Ų246106.3 Ų106.393%0.93254%0.543SS*.G310 helixtrans-80.4-5.1-172.9-67.3101.4000115.9S204S204-W206 PolarHBondContact O-N 2.82Å
207N40.6Very low50.9Low152 Ų152102.3 Ų102.381%0.81352%0.523SS*.G310 helixtrans-130.313.6178.4-84.2-11.7000114D205 T209D205-N207 PolarHBondContact O-N 3.44Å; N207-T209 PolarHBondContact O-N 3.05Å
208S40Very low53.7Low98 Ų9898 Ų9869%0.68550%0.501SS*.  trans-85.748.5-175.9-154.50000112.4S210S208-S210 PolarHBondContact O-N 3.24Å
209T47.6Very low56.5Low44 Ų4494 Ų9427%0.2747%0.473SS..  trans-61.5129.1155.2250000106.8N207 E213N207-T209 PolarHBondContact O-N 3.05Å; T209-E213 HydrophobicContact CG2-CB 3.96Å
210S53.3Low59.5Low49 Ų4985.8 Ų85.834%0.34344%0.437SS..  trans-50.5145.5171.6174.80000108.8S208 H212 E213S208-S210 PolarHBondContact O-N 3.24Å; S210-H212 PolarHBondContact O-N 3.31Å; S210-E213 PolarHBondContact N-OE2 3.3Å; S210-E213 PolarHBondContact O-N 2.8Å
211P57.9Low62.6Low108 Ų10878.7 Ų78.770%0.70140%0.403SS*.THydrogen-bonded Turntrans-56.5-5.6178.419.3-31.3000114.8
212H62.8Low65.5Low131 Ų13173.1 Ų73.161%0.60637%0.372SS*.THydrogen-bonded Turntrans-105.4-5.8175.5-57.7-59.2000114.5S210S210-H212 PolarHBondContact O-N 3.31Å
213E80.7Confident68.8Low86 Ų8663.7 Ų63.740%0.40234%0.336SS..PPolyproline II helixtrans-94.8120.9-179.3-75171.9172.200110.4P130 T209 S210P130-E213 HydrophobicContact CB-CB 4.15Å; P130-E213 HydrophobicContact CB-CG 4.31Å; T209-E213 HydrophobicContact CG2-CB 3.96Å; S210-E213 PolarHBondContact N-OE2 3.3Å; S210-E213 PolarHBondContact O-N 2.8Å
214E88Confident72Confident3 Ų356.5 Ų56.51%0.01430%0.298CS..PPolyproline II helixtrans-99.6116.8177.2-178.4165.6-104.200108.7P130 T131 S134 C135 V145 E218 V219 R222P130-E214 CarbonylContact C-O 3.59Å; P130-E214 WeakPolarHBondContact CA-O 3.3Å; T131-E214 HydrophobicContact CG2-CB 3.98Å; T131-E214 HydrophobicContact CG2-CG 4.16Å; T131-E214 WeakPolarHBondContact CG2-O 3.08Å; T131-E214 PolarHBondContact N-O 2.62Å; S134-E214 WeakPolarHBondContact CA-OE2 3.3Å; C135-E214 WeakPolarHBondContact CB-OE1 3.31Å; C135-E214 PolarHBondContact N-OE2 3Å; V145-E214 HydrophobicContact CG1-CB 3.69Å; V145-E214 HydrophobicContact CG1-CG 4.27Å; V145-E214 HydrophobicContact CG2-CB 4.35Å; E214-E218 HydrophobicContact CG-CB 3.89Å; E214-V219 HydrophobicContact CG-CG2 4.2Å; E214-R222 VanDerWaalsContact CD-NH1 3.33Å; E214-R222 IonicContact OE1-CZ 3.59Å; E214-R222 IonicContact OE1-NH1 2.61Å; E214-R222 PolarHBondContact OE1-NH1 2.83Å; E214-R222 IonicContact OE1-NH2 3.25Å; E214-R222 IonicContact OE2-CZ 3.29Å; E214-R222 IonicContact OE2-NH1 3.19Å; E214-R222 PolarHBondContact OE2-NH1 3.03Å; E214-R222 IonicContact OE2-NH2 3.77Å; E214-R222 PolarHBondContact OE2-NH2 2.86Å
215P91.6Very high75Confident4 Ų453 Ų533%0.02627%0.273CS..BIsolated β-bridgetrans-72.7152.9172.529.9-35.7000112.1R129 W217 E218R129-P215 VanDerWaalsContact O-CA 3.3Å; R129-P215 WeakPolarHBondContact O-CA 3.32Å; P215-W217 HydrophobicContact CB-CG 4.47Å; P215-W217 HydrophobicContact CG-CD2 4.33Å; P215-W217 HydrophobicContact CG-CG 4.38Å; P215-W217 HydrophobicContact CG-CZ2 4.02Å; P215-W217 PolarHBondContact O-N 2.79Å; P215-W217 VanDerWaalsContact O-N 3.15Å; P215-E218 WeakPolarHBondContact CD-OE2 3.35Å; P215-E218 HydrophobicContact CG-CB 4.43Å; P215-E218 HydrophobicContact CG-CG 3.95Å; P215-E218 WeakPolarHBondContact O-CB 3.16Å; P215-E218 PolarHBondContact O-N 3.13Å
216H93.8Very high78.1Confident16 Ų1646.8 Ų46.87%0.07424%0.24CC..Hα-helixtrans-55.3-32.4-179.3-80.8-68000114.5F126 F127 R129 E218 V219 I220 Y248F126-H216 HydrophobicContact CE1-CB 4.18Å; F126-H216 AromaticContact CE1-CG 3.92Å; F126-H216 AromaticContact CE2-CD2 3.95Å; F126-H216 AromaticContact CE2-NE2 3.73Å; F126-H216 AromaticContact CZ-CD2 3.82Å; F126-H216 AromaticContact CZ-CE1 3.72Å; F126-H216 AromaticContact CZ-CG 3.86Å; F126-H216 AromaticContact CZ-ND1 3.8Å; F126-H216 AromaticContact CZ-NE2 3.74Å; F126-H216 PolarHBondContact O-CD2 2.74Å; F127-H216 PolarHBondContact O-N 3.02Å; R129-H216 PolarHBondContact O-CD2 2.73Å; R129-H216 VanDerWaalsContact O-CD2 3.3Å; R129-H216 PolarHBondContact O-N 2.96Å; R129-H216 VanDerWaalsContact O-N 3.08Å; H216-E218 VanDerWaalsContact C-N 3.27Å; H216-E218 PolarHBondContact O-N 2.93Å; H216-V219 WeakPolarHBondContact O-CB 3.33Å; H216-V219 PolarHBondContact O-N 3.02Å; H216-I220 PolarHBondContact O-N 2.95Å; H216-Y248 HydrophobicContact CB-CE1 3.87Å; H216-Y248 AromaticContact CG-CE1 3.91Å; H216-Y248 AromaticContact ND1-CE1 3.31Å; H216-Y248 VanDerWaalsContact ND1-CE1 3.31Å; H216-Y248 WeakPolarHBondContact ND1-CE1 3.32Å; H216-Y248 AromaticContact ND1-CZ 3.5Å; H216-Y248 PolarHBondContact ND1-OH 2.73Å
217W93.8Very high81Confident29 Ų2935.2 Ų35.211%0.1120%0.196CC..Hα-helixtrans-65-28.2175.970.5-102.3000113C117 Q118 F127 P215 I220 E221C117-W217 HydrophobicContact CB-CB 4.41Å; C117-W217 HydrophobicContact CB-CE3 4.04Å; Q118-W217 HydrophobicContact CG-CD2 4.29Å; Q118-W217 HydrophobicContact CG-CE3 4.12Å; Q118-W217 HydrophobicContact CG-CH2 4.1Å; Q118-W217 HydrophobicContact CG-CZ2 4.23Å; Q118-W217 HydrophobicContact CG-CZ3 4.04Å; F127-W217 HydrophobicContact CB-CB 4.31Å; F127-W217 PolarHBondContact O-N 3.19Å; P215-W217 HydrophobicContact CB-CG 4.47Å; P215-W217 HydrophobicContact CG-CD2 4.33Å; P215-W217 HydrophobicContact CG-CG 4.38Å; P215-W217 HydrophobicContact CG-CZ2 4.02Å; P215-W217 PolarHBondContact O-N 2.79Å; P215-W217 VanDerWaalsContact O-N 3.15Å; W217-I220 PolarHBondContact O-N 3.19Å; W217-E221 PolarHBondContact O-N 3.47Å
218E91.9Very high83.6Confident2 Ų228.4 Ų28.41%0.00916%0.159CC..Hα-helixtrans-72.2-32.6174.7-79.1-164.714500112.2R149 E214 P215 H216 I220 E221 R222R149-E218 WeakPolarHBondContact CB-OE1 3.44Å; R149-E218 IonicContact CZ-OE1 2.7Å; R149-E218 IonicContact NE-OE1 2.75Å; R149-E218 PolarHBondContact NE-OE1 3.44Å; R149-E218 IonicContact NH2-OE1 2.64Å; R149-E218 PolarHBondContact NH2-OE1 3.11Å; R149-E218 IonicContact NH2-OE2 3.04Å; R149-E218 PolarHBondContact NH2-OE2 2.97Å; E214-E218 HydrophobicContact CG-CB 3.89Å; P215-E218 WeakPolarHBondContact CD-OE2 3.35Å; P215-E218 HydrophobicContact CG-CB 4.43Å; P215-E218 HydrophobicContact CG-CG 3.95Å; P215-E218 WeakPolarHBondContact O-CB 3.16Å; P215-E218 PolarHBondContact O-N 3.13Å; H216-E218 VanDerWaalsContact C-N 3.27Å; H216-E218 PolarHBondContact O-N 2.93Å; E218-I220 VanDerWaalsContact C-N 3.29Å; E218-E221 PolarHBondContact O-N 2.94Å; E218-R222 WeakPolarHBondContact O-CB 3.29Å; E218-R222 PolarHBondContact O-N 3.23Å
219V94.3Very high86.1Confident1 Ų125.5 Ų25.51%0.00613%0.134CC..Hα-helixtrans-63-43.1172.6-173.60000109.3T131 E214 H216 R222 I223 Y248 E264T131-V219 HydrophobicContact CG2-CG2 3.88Å; E214-V219 HydrophobicContact CG-CG2 4.2Å; H216-V219 WeakPolarHBondContact O-CB 3.33Å; H216-V219 PolarHBondContact O-N 3.02Å; V219-R222 PolarHBondContact O-N 3.47Å; V219-I223 HydrophobicContact CG1-CD1 4.2Å; V219-I223 VanDerWaalsContact O-CG1 3.25Å; V219-I223 WeakPolarHBondContact O-CG1 3.42Å; V219-I223 PolarHBondContact O-N 2.77Å; V219-Y248 HydrophobicContact CB-CE2 4.17Å; V219-Y248 HydrophobicContact CG1-CD2 4.46Å; V219-Y248 HydrophobicContact CG1-CE2 3.54Å; V219-E264 HydrophobicContact CG1-CB 3.75Å; V219-E264 HydrophobicContact CG1-CG 3.58Å
220I96Very high88.4Confident0 Ų025.3 Ų25.30%013%0.133CC..Hα-helixtrans-63.8-44.9175.5-66.1172.4000111.8L120 F127 H216 W217 E218 R222 I223 L224 I244 A245 Y248L120-I220 HydrophobicContact CD1-CB 4.49Å; L120-I220 HydrophobicContact CD1-CD1 3.75Å; L120-I220 HydrophobicContact CD1-CG2 4.05Å; F127-I220 HydrophobicContact CD1-CD1 3.57Å; F127-I220 HydrophobicContact CE1-CD1 3.52Å; H216-I220 PolarHBondContact O-N 2.95Å; W217-I220 PolarHBondContact O-N 3.19Å; E218-I220 VanDerWaalsContact C-N 3.29Å; I220-R222 VanDerWaalsContact C-N 3.27Å; I220-R222 PolarHBondContact O-N 3.46Å; I220-I223 PolarHBondContact O-N 3.44Å; I220-L224 HydrophobicContact CG2-CD1 3.77Å; I220-L224 HydrophobicContact CG2-CG 4.28Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 3.08Å; I220-I244 HydrophobicContact CG2-CG2 3.45Å; I220-I244 VanDerWaalsContact CG2-CG2 3.45Å; I220-A245 HydrophobicContact CD1-CB 4.17Å; I220-Y248 HydrophobicContact CD1-CD1 3.83Å; I220-Y248 HydrophobicContact CD1-CG 4.3Å; I220-Y248 HydrophobicContact CG1-CD1 3.76Å; I220-Y248 HydrophobicContact CG1-CE1 4.35Å; I220-Y248 HydrophobicContact CG1-CG 3.93Å
221E94.7Very high90.3Very high3 Ų324.9 Ų24.91%0.01413%0.126CC..Hα-helixtrans-53.1-47.9174.4171.7-173.8-116.800110.8L110 I113 N114 C117 L148 W217 E218 L224 Y225L110-E221 HydrophobicContact CD1-CG 4.01Å; I113-E221 HydrophobicContact CG2-CB 4.2Å; I113-E221 HydrophobicContact CG2-CG 3.94Å; N114-E221 WeakPolarHBondContact CA-OE1 3.22Å; N114-E221 WeakPolarHBondContact CB-OE1 3.22Å; N114-E221 PolarHBondContact ND2-OE1 3.39Å; C117-E221 HydrophobicContact CB-CB 4.41Å; L148-E221 WeakPolarHBondContact CB-OE2 3.18Å; L148-E221 HydrophobicContact CD1-CG 4.4Å; W217-E221 PolarHBondContact O-N 3.47Å; E218-E221 PolarHBondContact O-N 2.94Å; E221-L224 PolarHBondContact O-N 2.9Å; E221-Y225 WeakPolarHBondContact O-CB 3.5Å; E221-Y225 PolarHBondContact O-N 2.93Å
222R94Very high91.7Very high11 Ų1123.9 Ų23.94%0.04212%0.117CC..Hα-helixtrans-62.6-45.5179.5-178.2166.758.1-112.79.2112I73 V77 L148 E214 E218 V219 I220 L224 Y225 V226 E264I73-R222 HydrophobicContact CD1-CG 3.75Å; V77-R222 HydrophobicContact CG2-CG 4.35Å; L148-R222 HydrophobicContact CD1-CB 4.01Å; L148-R222 HydrophobicContact CD1-CG 4.27Å; E214-R222 VanDerWaalsContact CD-NH1 3.33Å; E214-R222 IonicContact OE1-CZ 3.59Å; E214-R222 IonicContact OE1-NH1 2.61Å; E214-R222 PolarHBondContact OE1-NH1 2.83Å; E214-R222 IonicContact OE1-NH2 3.25Å; E214-R222 IonicContact OE2-CZ 3.29Å; E214-R222 IonicContact OE2-NH1 3.19Å; E214-R222 PolarHBondContact OE2-NH1 3.03Å; E214-R222 IonicContact OE2-NH2 3.77Å; E214-R222 PolarHBondContact OE2-NH2 2.86Å; E218-R222 WeakPolarHBondContact O-CB 3.29Å; E218-R222 PolarHBondContact O-N 3.23Å; V219-R222 PolarHBondContact O-N 3.47Å; I220-R222 VanDerWaalsContact C-N 3.27Å; I220-R222 PolarHBondContact O-N 3.46Å; R222-L224 VanDerWaalsContact C-N 3.35Å; R222-L224 PolarHBondContact O-N 3.04Å; R222-Y225 PolarHBondContact O-N 3.28Å; R222-V226 VanDerWaalsContact O-CG2 3.3Å; R222-V226 WeakPolarHBondContact O-CG2 3.34Å; R222-V226 PolarHBondContact O-N 3.48Å; R222-E264 IonicContact CZ-OE1 3.49Å; R222-E264 IonicContact CZ-OE2 3.56Å; R222-E264 VanDerWaalsContact NE-CD 3.33Å; R222-E264 IonicContact NE-OE1 3.02Å; R222-E264 PolarHBondContact NE-OE1 2.79Å; R222-E264 IonicContact NE-OE2 3.59Å; R222-E264 PolarHBondContact NE-OE2 3.39Å; R222-E264 IonicContact NH2-OE1 2.68Å; R222-E264 IonicContact NH2-OE2 2.89Å; R222-E264 PolarHBondContact NH2-OE2 3.3Å
223I96.8Very high92.8Very high0 Ų023.2 Ų23.20%013%0.127CC..Hα-helixtrans-61.4-44.8178.2-60.1158.2000111Y69 V219 I220 Y225 V226 Y227 I244 Y248 E264 T267 F268Y69-I223 WeakPolarHBondContact OH-CG1 3.19Å; V219-I223 HydrophobicContact CG1-CD1 4.2Å; V219-I223 VanDerWaalsContact O-CG1 3.25Å; V219-I223 WeakPolarHBondContact O-CG1 3.42Å; V219-I223 PolarHBondContact O-N 2.77Å; I220-I223 PolarHBondContact O-N 3.44Å; I223-Y225 VanDerWaalsContact C-N 3.34Å; I223-Y225 PolarHBondContact O-N 2.92Å; I223-V226 PolarHBondContact O-N 3.31Å; I223-Y227 WeakPolarHBondContact O-CB 3.42Å; I223-Y227 PolarHBondContact O-N 3.07Å; I223-I244 HydrophobicContact CB-CD1 3.86Å; I223-I244 HydrophobicContact CD1-CD1 4.4Å; I223-I244 HydrophobicContact CG2-CD1 3.38Å; I223-Y248 HydrophobicContact CD1-CD2 4.07Å; I223-Y248 HydrophobicContact CD1-CE2 4.49Å; I223-E264 HydrophobicContact CD1-CB 4.5Å; I223-E264 HydrophobicContact CD1-CG 3.86Å; I223-E264 HydrophobicContact CG1-CG 3.54Å; I223-T267 HydrophobicContact CD1-CG2 3.94Å; I223-F268 HydrophobicContact CG2-CB 3.78Å; I223-F268 HydrophobicContact CG2-CD2 4.01Å; I223-F268 HydrophobicContact CG2-CG 4.41Å
224L96.9Very high93.1Very high0 Ų022 Ų220%012%0.122CC..Hα-helixtrans-65.8-37.2178.9-72170000112.1I113 I220 E221 R222 Y227 Y228 Y236 M240 N241 I244 F271I113-L224 HydrophobicContact CD1-CB 4.26Å; I113-L224 HydrophobicContact CG2-CB 3.83Å; I113-L224 HydrophobicContact CG2-CD1 4.01Å; I220-L224 HydrophobicContact CG2-CD1 3.77Å; I220-L224 HydrophobicContact CG2-CG 4.28Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 3.08Å; E221-L224 PolarHBondContact O-N 2.9Å; R222-L224 VanDerWaalsContact C-N 3.35Å; R222-L224 PolarHBondContact O-N 3.04Å; L224-Y227 WeakPolarHBondContact O-CB 3.49Å; L224-Y227 PolarHBondContact O-N 2.96Å; L224-Y228 WeakPolarHBondContact O-CB 3.44Å; L224-Y228 PolarHBondContact O-N 3.13Å; L224-Y236 HydrophobicContact CB-CE2 4.49Å; L224-Y236 HydrophobicContact CD1-CE2 3.98Å; L224-Y236 HydrophobicContact CD2-CD2 4.41Å; L224-Y236 HydrophobicContact CD2-CE2 4.14Å; L224-Y236 HydrophobicContact CG-CE2 4.44Å; L224-M240 HydrophobicContact CD2-CB 4.13Å; L224-N241 HydrophobicContact CD1-CB 3.94Å; L224-I244 HydrophobicContact CD1-CG2 4.08Å; L224-I244 HydrophobicContact CD2-CB 4.4Å; L224-I244 HydrophobicContact CD2-CD1 4.11Å; L224-I244 HydrophobicContact CD2-CG2 3.97Å; L224-I244 HydrophobicContact CG-CD1 4.27Å; L224-I244 HydrophobicContact CG-CG2 4.08Å; L224-F271 HydrophobicContact CD2-CE1 4.13Å; L224-F271 HydrophobicContact CD2-CZ 3.99Å
225Y94.6Very high93.2Very high0 Ų022.5 Ų22.50%013%0.128CC..Hα-helixtrans-66-44.4175.2-175.5-109.2000111.5F76 D106 L110 L148 E221 R222 I223 Y227 Y228 K229F76-Y225 HydrophobicContact CB-CE1 4.38Å; D106-Y225 HydrophobicContact CB-CE2 4.36Å; L110-Y225 HydrophobicContact CB-CD2 4.16Å; L110-Y225 HydrophobicContact CB-CE2 4.14Å; L110-Y225 HydrophobicContact CD1-CD2 3.8Å; L110-Y225 HydrophobicContact CD1-CE2 4.4Å; L110-Y225 HydrophobicContact CD1-CG 4.07Å; L110-Y225 HydrophobicContact CG-CD2 4.45Å; L148-Y225 HydrophobicContact CD1-CD1 4.2Å; L148-Y225 HydrophobicContact CD1-CG 4.38Å; L148-Y225 HydrophobicContact CD2-CD1 3.97Å; L148-Y225 HydrophobicContact CD2-CE1 4.06Å; E221-Y225 WeakPolarHBondContact O-CB 3.5Å; E221-Y225 PolarHBondContact O-N 2.93Å; R222-Y225 PolarHBondContact O-N 3.28Å; I223-Y225 VanDerWaalsContact C-N 3.34Å; I223-Y225 PolarHBondContact O-N 2.92Å; Y225-Y227 VanDerWaalsContact C-N 3.3Å; Y225-Y227 PolarHBondContact O-N 3.39Å; Y225-Y228 HydrophobicContact CD2-CD1 4.13Å; Y225-Y228 HydrophobicContact CE2-CD1 4.11Å; Y225-Y228 HydrophobicContact CE2-CE1 4.36Å; Y225-Y228 WeakPolarHBondContact O-CB 2.98Å; Y225-Y228 PolarHBondContact O-N 3.28Å; Y225-K229 HydrophobicContact CD1-CG 4.37Å; Y225-K229 HydrophobicContact CE1-CG 4.02Å; Y225-K229 HydrophobicContact CE2-CD 4.44Å; Y225-K229 HydrophobicContact CE2-CG 4.34Å; Y225-K229 WeakPolarHBondContact O-CG 3.33Å; Y225-K229 PolarHBondContact O-N 2.74Å
226V95.1Very high93.3Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-61.5-40.7173.6174.40000111Y69 Y72 I73 F76 R222 I223 K229 T230 F268Y69-V226 HydrophobicContact CD2-CG1 4.23Å; Y69-V226 HydrophobicContact CE2-CB 4.16Å; Y69-V226 HydrophobicContact CE2-CG1 3.82Å; Y69-V226 HydrophobicContact CE2-CG2 4.31Å; Y72-V226 HydrophobicContact CD2-CG1 4Å; Y72-V226 HydrophobicContact CG-CG1 4.14Å; I73-V226 HydrophobicContact CD1-CG2 3.69Å; F76-V226 HydrophobicContact CD2-CG1 4.42Å; R222-V226 VanDerWaalsContact O-CG2 3.3Å; R222-V226 WeakPolarHBondContact O-CG2 3.34Å; R222-V226 PolarHBondContact O-N 3.48Å; I223-V226 PolarHBondContact O-N 3.31Å; V226-K229 PolarHBondContact O-N 3.02Å; V226-T230 HydrophobicContact CG1-CG2 4.4Å; V226-T230 WeakPolarHBondContact O-CB 3.32Å; V226-T230 WeakPolarHBondContact O-CG2 3.23Å; V226-T230 PolarHBondContact O-N 2.84Å; V226-T230 PolarHBondContact O-OG1 3.35Å; V226-F268 HydrophobicContact CB-CE2 4.39Å; V226-F268 HydrophobicContact CG1-CD2 4.13Å; V226-F268 HydrophobicContact CG1-CE2 3.71Å; V226-F268 HydrophobicContact CG1-CZ 4.19Å
227Y96.9Very high93.2Very high2 Ų224.4 Ų24.41%0.00814%0.139CC..Hα-helixtrans-59.2-48.8174-179.2-88.5000111.7I223 L224 Y225 K229 T230 H231 Q234 M240 F271 N272 M275I223-Y227 WeakPolarHBondContact O-CB 3.42Å; I223-Y227 PolarHBondContact O-N 3.07Å; L224-Y227 WeakPolarHBondContact O-CB 3.49Å; L224-Y227 PolarHBondContact O-N 2.96Å; Y225-Y227 VanDerWaalsContact C-N 3.3Å; Y225-Y227 PolarHBondContact O-N 3.39Å; Y227-K229 VanDerWaalsContact C-N 3.33Å; Y227-K229 PolarHBondContact O-N 2.93Å; Y227-T230 WeakPolarHBondContact CA-OG1 3.19Å; Y227-T230 PolarHBondContact O-N 3.24Å; Y227-T230 PolarHBondContact O-OG1 3.01Å; Y227-H231 AromaticContact CD2-ND1 3.73Å; Y227-H231 HydrophobicContact CE1-CB 4.16Å; Y227-H231 AromaticContact CE2-CE1 3.94Å; Y227-H231 AromaticContact CE2-ND1 3.69Å; Y227-H231 AromaticContact CZ-CG 3.98Å; Y227-H231 WeakPolarHBondContact O-CB 3.45Å; Y227-H231 PolarHBondContact O-N 2.82Å; Y227-H231 PolarHBondContact O-ND1 3.18Å; Y227-H231 VanDerWaalsContact O-ND1 3.11Å; Y227-Q234 PolarHBondContact OH-OE1 3.31Å; Y227-M240 HydrophobicContact CD1-CE 4.26Å; Y227-M240 HydrophobicContact CE1-CE 3.49Å; Y227-M240 VanDerWaalsContact CE1-CE 3.49Å; Y227-M240 HydrophobicContact CE1-SD 4.36Å; Y227-F271 HydrophobicContact CD1-CE1 4.02Å; Y227-F271 AromaticContact CD2-CD1 3.76Å; Y227-F271 HydrophobicContact CD2-CD1 3.76Å; Y227-F271 AromaticContact CD2-CE1 3.63Å; Y227-F271 HydrophobicContact CD2-CE1 3.63Å; Y227-F271 HydrophobicContact CE1-CE1 4.31Å; Y227-F271 HydrophobicContact CE2-CD1 4.16Å; Y227-F271 AromaticContact CE2-CE1 3.9Å; Y227-F271 HydrophobicContact CE2-CE1 3.9Å; Y227-F271 HydrophobicContact CG-CD1 4.16Å; Y227-F271 AromaticContact CG-CE1 3.68Å; Y227-F271 HydrophobicContact CG-CE1 3.68Å; Y227-N272 HydrophobicContact CE2-CB 4.47Å; Y227-M275 HydrophobicContact CE2-CB 4.06Å; Y227-M275 HydrophobicContact CE2-CG 4.06Å; Y227-M275 VanDerWaalsContact OH-CB 3.23Å; Y227-M275 WeakPolarHBondContact OH-CB 3.12Å
228Y94.9Very high93Very high10 Ų1029.4 Ų29.44%0.03916%0.164CC..Hα-helixtrans-55.6-47175.4159.1-108.4000111.9D106 I109 L224 Y225 T230 H231 V232D106-Y228 HydrophobicContact CB-CE1 4.32Å; D106-Y228 VanDerWaalsContact OD1-CE1 3.25Å; D106-Y228 WeakPolarHBondContact OD1-CE1 3.12Å; D106-Y228 PolarHBondContact OD1-OH 3.48Å; I109-Y228 HydrophobicContact CB-CE1 4.36Å; I109-Y228 HydrophobicContact CB-CE2 4.48Å; I109-Y228 HydrophobicContact CG1-CE2 4.11Å; I109-Y228 HydrophobicContact CG2-CD1 4.09Å; I109-Y228 HydrophobicContact CG2-CD2 3.96Å; I109-Y228 HydrophobicContact CG2-CE1 4.25Å; I109-Y228 HydrophobicContact CG2-CE2 4.12Å; I109-Y228 HydrophobicContact CG2-CG 3.95Å; L224-Y228 WeakPolarHBondContact O-CB 3.44Å; L224-Y228 PolarHBondContact O-N 3.13Å; Y225-Y228 HydrophobicContact CD2-CD1 4.13Å; Y225-Y228 HydrophobicContact CE2-CD1 4.11Å; Y225-Y228 HydrophobicContact CE2-CE1 4.36Å; Y225-Y228 WeakPolarHBondContact O-CB 2.98Å; Y225-Y228 PolarHBondContact O-N 3.28Å; Y228-T230 VanDerWaalsContact C-N 3.35Å; Y228-T230 PolarHBondContact O-N 3.29Å; Y228-H231 CarbonylContact O-C 3.59Å; Y228-H231 VanDerWaalsContact O-C 3.23Å; Y228-H231 PolarHBondContact O-N 3.26Å; Y228-V232 WeakPolarHBondContact O-CA 3.39Å; Y228-V232 PolarHBondContact O-N 3.15Å; Y228-V232 VanDerWaalsContact O-N 3.09Å
229K93.6Very high93Very high36 Ų3629.6 Ų29.616%0.15717%0.166CC..Hα-helixtrans-67.7-33.2-179-68.6-64.7-61.9-178.40113.2F76 D106 Y225 V226 Y227F76-K229 HydrophobicContact CB-CB 4.25Å; F76-K229 HydrophobicContact CB-CG 4.08Å; F76-K229 HydrophobicContact CD1-CB 3.94Å; F76-K229 HydrophobicContact CD1-CG 4.3Å; F76-K229 HydrophobicContact CD2-CB 3.58Å; F76-K229 HydrophobicContact CD2-CG 4.35Å; F76-K229 HydrophobicContact CE1-CB 4.19Å; F76-K229 HydrophobicContact CE2-CB 3.87Å; F76-K229 HydrophobicContact CG-CB 3.64Å; F76-K229 HydrophobicContact CG-CG 3.98Å; F76-K229 HydrophobicContact CZ-CB 4.16Å; D106-K229 IonicContact OD1-NZ 3.62Å; D106-K229 IonicContact OD2-NZ 3.72Å; D106-K229 PolarHBondContact OD2-NZ 2.63Å; Y225-K229 HydrophobicContact CD1-CG 4.37Å; Y225-K229 HydrophobicContact CE1-CG 4.02Å; Y225-K229 HydrophobicContact CE2-CD 4.44Å; Y225-K229 HydrophobicContact CE2-CG 4.34Å; Y225-K229 WeakPolarHBondContact O-CG 3.33Å; Y225-K229 PolarHBondContact O-N 2.74Å; V226-K229 PolarHBondContact O-N 3.02Å; Y227-K229 VanDerWaalsContact C-N 3.33Å; Y227-K229 PolarHBondContact O-N 2.93Å
230T94.8Very high93Very high40 Ų4029.5 Ų29.525%0.24517%0.166CC..Hα-helixtrans-79.8-19.7174.849.80000113.1Y72 F76 V226 Y227 Y228 F268Y72-T230 HydrophobicContact CD1-CG2 4.12Å; Y72-T230 HydrophobicContact CD2-CG2 4.09Å; Y72-T230 HydrophobicContact CE1-CG2 4.03Å; Y72-T230 HydrophobicContact CE2-CG2 4Å; Y72-T230 HydrophobicContact CG-CG2 4.17Å; F76-T230 HydrophobicContact CE2-CG2 3.69Å; F76-T230 HydrophobicContact CZ-CG2 4.37Å; V226-T230 HydrophobicContact CG1-CG2 4.4Å; V226-T230 WeakPolarHBondContact O-CB 3.32Å; V226-T230 WeakPolarHBondContact O-CG2 3.23Å; V226-T230 PolarHBondContact O-N 2.84Å; V226-T230 PolarHBondContact O-OG1 3.35Å; Y227-T230 WeakPolarHBondContact CA-OG1 3.19Å; Y227-T230 PolarHBondContact O-N 3.24Å; Y227-T230 PolarHBondContact O-OG1 3.01Å; Y228-T230 VanDerWaalsContact C-N 3.35Å; Y228-T230 PolarHBondContact O-N 3.29Å; T230-F268 HydrophobicContact CG2-CZ 4.36Å
231H93.3Very high93Very high40 Ų4029.7 Ų29.719%0.18517%0.167CC..THydrogen-bonded Turntrans-128.848.4-176.2-58.880.6000112.2Y227 Y228 S233 Q234 G235 N272Y227-H231 AromaticContact CD2-ND1 3.73Å; Y227-H231 HydrophobicContact CE1-CB 4.16Å; Y227-H231 AromaticContact CE2-CE1 3.94Å; Y227-H231 AromaticContact CE2-ND1 3.69Å; Y227-H231 AromaticContact CZ-CG 3.98Å; Y227-H231 WeakPolarHBondContact O-CB 3.45Å; Y227-H231 PolarHBondContact O-N 2.82Å; Y227-H231 PolarHBondContact O-ND1 3.18Å; Y227-H231 VanDerWaalsContact O-ND1 3.11Å; Y228-H231 CarbonylContact O-C 3.59Å; Y228-H231 VanDerWaalsContact O-C 3.23Å; Y228-H231 PolarHBondContact O-N 3.26Å; H231-S233 PolarHBondContact O-N 3.32Å; H231-Q234 HydrophobicContact CB-CB 4.09Å; H231-Q234 HydrophobicContact CB-CG 4.4Å; H231-Q234 WeakPolarHBondContact O-CA 3.34Å; H231-Q234 WeakPolarHBondContact O-CB 3.21Å; H231-Q234 PolarHBondContact O-N 3.21Å; H231-G235 PolarHBondContact O-N 2.82Å; H231-N272 PolarHBondContact CE1-OD1 3.45Å; H231-N272 PolarHBondContact NE2-OD1 3.47Å
232V87.7Confident93Very high87 Ų8730.1 Ų30.153%0.52717%0.169SC..THydrogen-bonded Turntrans-54.7-29.7-174.7-70.30000114.6Y228Y228-V232 WeakPolarHBondContact O-CA 3.39Å; Y228-V232 PolarHBondContact O-N 3.15Å; Y228-V232 VanDerWaalsContact O-N 3.09Å
233S85.6Confident93.1Very high117 Ų11729.6 Ų29.682%0.81817%0.167SC*.THydrogen-bonded Turntrans-73.5-26.7177.358.90000113.6H231H231-S233 PolarHBondContact O-N 3.32Å
234Q87.1Confident93.2Very high61 Ų6129.6 Ų29.629%0.28517%0.167SC..THydrogen-bonded Turntrans-85.7-39.4175-68.1-175.731.900110.8Y227 H231 H279Y227-Q234 PolarHBondContact OH-OE1 3.31Å; H231-Q234 HydrophobicContact CB-CB 4.09Å; H231-Q234 HydrophobicContact CB-CG 4.4Å; H231-Q234 WeakPolarHBondContact O-CA 3.34Å; H231-Q234 WeakPolarHBondContact O-CB 3.21Å; H231-Q234 PolarHBondContact O-N 3.21Å; Q234-H279 VanDerWaalsContact CB-NE2 3.28Å; Q234-H279 WeakPolarHBondContact CB-NE2 3.19Å; Q234-H279 PolarHBondContact OE1-CD2 3.42Å
235G89.7Confident93.2Very high14 Ų1429.7 Ų29.714%0.14417%0.168CC..  trans73.1-173.9-178.300000113H231H231-G235 PolarHBondContact O-N 2.82Å
236Y93.5Very high93.3Very high13 Ų1330 Ų305%0.05117%0.17CC..  trans-99.7135.6168172-101.4000109.7Q112 I113 D116 L224 M240Q112-Y236 HydrophobicContact CG-CD1 4.4Å; Q112-Y236 HydrophobicContact CG-CE1 4.03Å; I113-Y236 HydrophobicContact CB-CE1 4.49Å; I113-Y236 HydrophobicContact CD1-CD1 4.36Å; I113-Y236 HydrophobicContact CD1-CD2 4.16Å; I113-Y236 HydrophobicContact CD1-CG 3.98Å; I113-Y236 HydrophobicContact CG1-CD1 3.53Å; I113-Y236 HydrophobicContact CG1-CD2 3.76Å; I113-Y236 HydrophobicContact CG1-CE1 3.68Å; I113-Y236 HydrophobicContact CG1-CE2 3.9Å; I113-Y236 HydrophobicContact CG1-CG 3.58Å; D116-Y236 VanDerWaalsContact CB-OH 3.32Å; D116-Y236 WeakPolarHBondContact CB-OH 3.42Å; D116-Y236 WeakPolarHBondContact OD2-CE1 3.42Å; D116-Y236 PolarHBondContact OD2-OH 2.83Å; L224-Y236 HydrophobicContact CB-CE2 4.49Å; L224-Y236 HydrophobicContact CD1-CE2 3.98Å; L224-Y236 HydrophobicContact CD2-CD2 4.41Å; L224-Y236 HydrophobicContact CD2-CE2 4.14Å; L224-Y236 HydrophobicContact CG-CE2 4.44Å; Y236-M240 HydrophobicContact CD2-CB 4.1Å; Y236-M240 HydrophobicContact CD2-SD 3.89Å; Y236-M240 HydrophobicContact CE2-CB 3.75Å; Y236-M240 HydrophobicContact CE2-SD 4.47Å
237V91.4Very high93.5Very high47 Ų4730 Ų3029%0.28517%0.17SC..  trans-123.7133.4175.8-175.50000109.3G239 M240 F282V237-G239 PolarHBondContact O-N 3.22Å; V237-M240 PolarHBondContact N-SD 3Å; V237-M240 VanDerWaalsContact N-SD 3.39Å; V237-M240 WeakPolarHBondContact O-CB 3.49Å; V237-M240 WeakPolarHBondContact O-CG 3.17Å; V237-M240 PolarHBondContact O-N 3.09Å; V237-F282 HydrophobicContact CB-CB 4.21Å; V237-F282 HydrophobicContact CB-CD1 3.89Å; V237-F282 HydrophobicContact CB-CG 4.36Å; V237-F282 HydrophobicContact CG1-CB 4.17Å; V237-F282 HydrophobicContact CG1-CD1 3.75Å; V237-F282 HydrophobicContact CG1-CG 4.41Å; V237-F282 HydrophobicContact CG2-CB 4.2Å
238Q90.3Very high93.5Very high133 Ų13330.2 Ų30.262%0.62117%0.17SC*.THydrogen-bonded Turntrans-53.5129175.5-175.3-178.1-4.400109.8
239G91.1Very high93.6Very high6 Ų632.4 Ų32.46%0.06218%0.179CC..THydrogen-bonded Turntrans111.5-26.9-17100000113.3V237 N241 E242 I243 L333V237-G239 PolarHBondContact O-N 3.22Å; G239-N241 WeakPolarHBondContact CA-OD1 3.32Å; G239-N241 PolarHBondContact N-OD1 3.35Å; G239-N241 VanDerWaalsContact N-OD1 3.07Å; G239-N241 PolarHBondContact O-N 2.9Å; G239-E242 WeakPolarHBondContact O-CB 3.43Å; G239-E242 PolarHBondContact O-N 3.04Å; G239-I243 PolarHBondContact O-N 3.05Å; G239-L333 WeakPolarHBondContact O-CD2 3.02Å
240M95.5Very high93.8Very high0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-58.6-34.2171.8-77.5177.4144.200112.3L224 Y227 Y236 V237 E242 I243 I244 F271 M275 F282L224-M240 HydrophobicContact CD2-CB 4.13Å; Y227-M240 HydrophobicContact CD1-CE 4.26Å; Y227-M240 HydrophobicContact CE1-CE 3.49Å; Y227-M240 VanDerWaalsContact CE1-CE 3.49Å; Y227-M240 HydrophobicContact CE1-SD 4.36Å; Y236-M240 HydrophobicContact CD2-CB 4.1Å; Y236-M240 HydrophobicContact CD2-SD 3.89Å; Y236-M240 HydrophobicContact CE2-CB 3.75Å; Y236-M240 HydrophobicContact CE2-SD 4.47Å; V237-M240 PolarHBondContact N-SD 3Å; V237-M240 VanDerWaalsContact N-SD 3.39Å; V237-M240 WeakPolarHBondContact O-CB 3.49Å; V237-M240 WeakPolarHBondContact O-CG 3.17Å; V237-M240 PolarHBondContact O-N 3.09Å; M240-E242 VanDerWaalsContact C-N 3.27Å; M240-E242 PolarHBondContact O-N 3.01Å; M240-I243 PolarHBondContact O-N 3.26Å; M240-I243 VanDerWaalsContact O-N 3.14Å; M240-I244 PolarHBondContact O-N 2.8Å; M240-F271 HydrophobicContact CB-CZ 4.12Å; M240-F271 HydrophobicContact CG-CZ 4.29Å; M240-M275 HydrophobicContact CE-CE 3.32Å; M240-M275 HydrophobicContact CE-SD 4.09Å; M240-M275 HydrophobicContact CG-CE 4.5Å; M240-F282 HydrophobicContact CG-CE1 4.15Å; M240-F282 HydrophobicContact CG-CZ 4.2Å
241N95.4Very high93.9Very high3 Ų329.2 Ų29.22%0.01616%0.163CC..Hα-helixtrans-58.5-37.6172.867.8-60.7000112.4D116 L120 L224 G239 I243 I244 A245D116-N241 HydrophobicContact CB-CB 4.16Å; D116-N241 PolarHBondContact O-ND2 3.32Å; L120-N241 HydrophobicContact CD2-CB 4.07Å; L120-N241 VanDerWaalsContact CD2-ND2 3.3Å; L120-N241 WeakPolarHBondContact CD2-ND2 3.25Å; L120-N241 WeakPolarHBondContact CD2-O 3.46Å; L224-N241 HydrophobicContact CD1-CB 3.94Å; G239-N241 WeakPolarHBondContact CA-OD1 3.32Å; G239-N241 PolarHBondContact N-OD1 3.35Å; G239-N241 VanDerWaalsContact N-OD1 3.07Å; G239-N241 PolarHBondContact O-N 2.9Å; N241-I243 VanDerWaalsContact C-N 3.33Å; N241-I244 WeakPolarHBondContact O-CG2 3.36Å; N241-A245 VanDerWaalsContact O-CB 3.3Å; N241-A245 WeakPolarHBondContact O-CB 3.41Å; N241-A245 PolarHBondContact O-N 3.2Å
242E94.6Very high94.1Very high13 Ų1328 Ų286%0.06116%0.159CC..Hα-helixtrans-71.9-29.3177-52.4-61153.300112G239 M240 P246 L333 R337G239-E242 WeakPolarHBondContact O-CB 3.43Å; G239-E242 PolarHBondContact O-N 3.04Å; M240-E242 VanDerWaalsContact C-N 3.27Å; M240-E242 PolarHBondContact O-N 3.01Å; E242-P246 WeakPolarHBondContact O-CD 3.47Å; E242-L333 HydrophobicContact CB-CD2 4.49Å; E242-L333 HydrophobicContact CG-CD1 4.27Å; E242-R337 HydrophobicContact CG-CG 4.49Å; E242-R337 IonicContact OE1-CZ 3.16Å; E242-R337 IonicContact OE1-NE 2.69Å; E242-R337 PolarHBondContact OE1-NE 2.87Å; E242-R337 IonicContact OE1-NH2 3.32Å; E242-R337 PolarHBondContact OE1-NH2 3.2Å; E242-R337 IonicContact OE2-CZ 3.57Å; E242-R337 IonicContact OE2-NE 3.15Å; E242-R337 PolarHBondContact OE2-NE 3.46Å; E242-R337 IonicContact OE2-NH2 3.06Å
243I96.8Very high94.4Very high0 Ų026.8 Ų26.80%015%0.152CC..Hα-helixtrans-75.1-43.2177.2-64.9-59.1000111.2G239 M240 N241 F271 L274 I278 F282 L334 W348G239-I243 PolarHBondContact O-N 3.05Å; M240-I243 PolarHBondContact O-N 3.26Å; M240-I243 VanDerWaalsContact O-N 3.14Å; N241-I243 VanDerWaalsContact C-N 3.33Å; I243-F271 HydrophobicContact CB-CE2 4.09Å; I243-F271 HydrophobicContact CG2-CD2 4.04Å; I243-F271 HydrophobicContact CG2-CE2 3.77Å; I243-L274 HydrophobicContact CG2-CD2 3.58Å; I243-I278 HydrophobicContact CD1-CD1 4.2Å; I243-I278 HydrophobicContact CG1-CD1 4.21Å; I243-I278 HydrophobicContact CG2-CD1 4.02Å; I243-F282 HydrophobicContact CG1-CZ 4.14Å; I243-L334 HydrophobicContact CD1-CB 4.41Å; I243-L334 HydrophobicContact CD1-CD1 4.25Å; I243-L334 HydrophobicContact CD1-CG 4.07Å; I243-W348 HydrophobicContact CD1-CH2 4.26Å; I243-W348 HydrophobicContact CD1-CZ2 4.1Å; I243-W348 HydrophobicContact CG2-CH2 4.33Å; I243-W348 VanDerWaalsContact O-CH2 3.22Å; I243-W348 WeakPolarHBondContact O-CH2 3.47Å; I243-W348 WeakPolarHBondContact O-CZ3 3.31Å
244I97.8Very high94.9Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-75-29.7-175.8-163.8168000112.7I220 I223 L224 M240 N241 I247 Y248 T267 F271I220-I244 HydrophobicContact CG2-CG2 3.45Å; I220-I244 VanDerWaalsContact CG2-CG2 3.45Å; I223-I244 HydrophobicContact CB-CD1 3.86Å; I223-I244 HydrophobicContact CD1-CD1 4.4Å; I223-I244 HydrophobicContact CG2-CD1 3.38Å; L224-I244 HydrophobicContact CD1-CG2 4.08Å; L224-I244 HydrophobicContact CD2-CB 4.4Å; L224-I244 HydrophobicContact CD2-CD1 4.11Å; L224-I244 HydrophobicContact CD2-CG2 3.97Å; L224-I244 HydrophobicContact CG-CD1 4.27Å; L224-I244 HydrophobicContact CG-CG2 4.08Å; M240-I244 PolarHBondContact O-N 2.8Å; N241-I244 WeakPolarHBondContact O-CG2 3.36Å; I244-I247 PolarHBondContact O-N 3.21Å; I244-Y248 PolarHBondContact O-N 3.09Å; I244-T267 HydrophobicContact CD1-CG2 3.99Å; I244-T267 HydrophobicContact CG1-CG2 3.6Å; I244-F271 HydrophobicContact CB-CD2 3.61Å; I244-F271 HydrophobicContact CB-CE2 3.79Å; I244-F271 HydrophobicContact CB-CG 4.2Å; I244-F271 HydrophobicContact CD1-CB 4.11Å; I244-F271 HydrophobicContact CD1-CD1 4.02Å; I244-F271 HydrophobicContact CD1-CD2 4.11Å; I244-F271 HydrophobicContact CD1-CG 3.8Å; I244-F271 HydrophobicContact CG1-CB 4.11Å; I244-F271 HydrophobicContact CG1-CD2 3.82Å; I244-F271 HydrophobicContact CG1-CE2 4.41Å; I244-F271 HydrophobicContact CG1-CG 3.92Å
245A97.2Very high95.2Very high2 Ų222.4 Ų22.42%0.01713%0.126CC..Hα-helixtrans-60.3-46.6-173.200000113.9L120 F127 I220 N241 I247 Y248 Y249L120-A245 HydrophobicContact CD1-CB 4.17Å; L120-A245 HydrophobicContact CD2-CB 3.85Å; F127-A245 HydrophobicContact CE1-CB 4.02Å; F127-A245 HydrophobicContact CE2-CB 4.47Å; F127-A245 HydrophobicContact CZ-CB 3.74Å; I220-A245 HydrophobicContact CD1-CB 4.17Å; N241-A245 VanDerWaalsContact O-CB 3.3Å; N241-A245 WeakPolarHBondContact O-CB 3.41Å; N241-A245 PolarHBondContact O-N 3.2Å; A245-I247 PolarHBondContact O-N 3.29Å; A245-Y248 PolarHBondContact O-N 3.34Å; A245-Y249 WeakPolarHBondContact O-CB 3.41Å; A245-Y249 PolarHBondContact O-N 3.14Å
246P97.2Very high95.4Very high7 Ų724.6 Ų24.65%0.04514%0.135CC..Hα-helixtrans-62.7-38.4174.5-23.933.9000113.5E242 Y249 V250 L341 V344 L345 W348E242-P246 WeakPolarHBondContact O-CD 3.47Å; P246-Y249 PolarHBondContact O-N 3.26Å; P246-V250 WeakPolarHBondContact O-CG2 3.32Å; P246-V250 PolarHBondContact O-N 3.27Å; P246-L341 HydrophobicContact CB-CD1 3.81Å; P246-L341 HydrophobicContact CG-CD1 4Å; P246-V344 HydrophobicContact CB-CG1 4.44Å; P246-V344 HydrophobicContact CG-CG1 4.11Å; P246-L345 HydrophobicContact CB-CD2 3.98Å; P246-W348 HydrophobicContact CB-CE3 4.18Å; P246-W348 HydrophobicContact CB-CH2 4.05Å; P246-W348 HydrophobicContact CB-CZ3 3.72Å; P246-W348 HydrophobicContact CG-CH2 3.77Å; P246-W348 HydrophobicContact CG-CZ2 4.34Å; P246-W348 HydrophobicContact CG-CZ3 3.99Å
247I98.3Very high95.5Very high0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-62.5-50.7177.4-53.4-179.8000110W44 L48 I244 A245 Y249 V250 F251 T267 C270 F271 L274 W348W44-I247 HydrophobicContact CE3-CG1 4.48Å; W44-I247 HydrophobicContact CZ3-CB 4.48Å; W44-I247 HydrophobicContact CZ3-CG1 4.14Å; L48-I247 HydrophobicContact CD1-CD1 4.3Å; I244-I247 PolarHBondContact O-N 3.21Å; A245-I247 PolarHBondContact O-N 3.29Å; I247-Y249 VanDerWaalsContact C-N 3.34Å; I247-Y249 PolarHBondContact O-N 3.21Å; I247-V250 PolarHBondContact O-N 2.99Å; I247-F251 HydrophobicContact CG2-CD2 4.11Å; I247-F251 HydrophobicContact CG2-CE2 3.58Å; I247-F251 HydrophobicContact CG2-CZ 3.89Å; I247-F251 PolarHBondContact O-N 3.28Å; I247-T267 HydrophobicContact CB-CG2 4.38Å; I247-T267 HydrophobicContact CG2-CG2 4.11Å; I247-C270 HydrophobicContact CG2-CB 4.05Å; I247-F271 HydrophobicContact CD1-CB 4.45Å; I247-F271 HydrophobicContact CD1-CD2 4.49Å; I247-L274 HydrophobicContact CD1-CD2 3.78Å; I247-W348 HydrophobicContact CD1-CZ3 4.45Å; I247-W348 HydrophobicContact CG1-CZ3 3.85Å
248Y98.2Very high95.5Very high5 Ų530.6 Ų30.62%0.0217%0.167CC..Hα-helixtrans-59.9-45.8178.8-179.3-107.1000111.5F126 F127 H216 V219 I220 I223 I244 A245 V250 F251 A252 A263 T267F126-Y248 HydrophobicContact CE1-CD1 4.36Å; F126-Y248 HydrophobicContact CE1-CE1 4.27Å; F127-Y248 HydrophobicContact CE1-CD1 4.43Å; H216-Y248 HydrophobicContact CB-CE1 3.87Å; H216-Y248 AromaticContact CG-CE1 3.91Å; H216-Y248 AromaticContact ND1-CE1 3.31Å; H216-Y248 VanDerWaalsContact ND1-CE1 3.31Å; H216-Y248 WeakPolarHBondContact ND1-CE1 3.32Å; H216-Y248 AromaticContact ND1-CZ 3.5Å; H216-Y248 PolarHBondContact ND1-OH 2.73Å; V219-Y248 HydrophobicContact CB-CE2 4.17Å; V219-Y248 HydrophobicContact CG1-CD2 4.46Å; V219-Y248 HydrophobicContact CG1-CE2 3.54Å; I220-Y248 HydrophobicContact CD1-CD1 3.83Å; I220-Y248 HydrophobicContact CD1-CG 4.3Å; I220-Y248 HydrophobicContact CG1-CD1 3.76Å; I220-Y248 HydrophobicContact CG1-CE1 4.35Å; I220-Y248 HydrophobicContact CG1-CG 3.93Å; I223-Y248 HydrophobicContact CD1-CD2 4.07Å; I223-Y248 HydrophobicContact CD1-CE2 4.49Å; I244-Y248 PolarHBondContact O-N 3.09Å; A245-Y248 PolarHBondContact O-N 3.34Å; Y248-V250 VanDerWaalsContact C-N 3.34Å; Y248-V250 PolarHBondContact O-N 3.4Å; Y248-F251 PolarHBondContact O-N 3.39Å; Y248-F251 VanDerWaalsContact O-N 3.17Å; Y248-A252 HydrophobicContact CD1-CB 4.35Å; Y248-A252 HydrophobicContact CE1-CB 3.94Å; Y248-A252 HydrophobicContact CE2-CB 4.17Å; Y248-A252 WeakPolarHBondContact O-CB 3.46Å; Y248-A252 PolarHBondContact O-N 3Å; Y248-A263 HydrophobicContact CE2-CB 4.39Å; Y248-T267 WeakPolarHBondContact CA-OG1 3.5Å; Y248-T267 HydrophobicContact CD2-CG2 4.34Å
249Y97Very high95.7Very high57 Ų5726 Ų2622%0.22414%0.144CC..Hα-helixtrans-54.8-49.2177.4172.3-101.3000112F124 F126 A245 P246 I247 F251 A252 T253 L341 L345F124-Y249 AromaticContact CE1-CD2 3.8Å; F124-Y249 HydrophobicContact CE1-CD2 3.8Å; F124-Y249 AromaticContact CE1-CE2 3.63Å; F124-Y249 HydrophobicContact CE1-CE2 3.63Å; F124-Y249 HydrophobicContact CZ-CD2 4.14Å; F124-Y249 AromaticContact CZ-CE2 3.47Å; F124-Y249 HydrophobicContact CZ-CE2 3.47Å; F124-Y249 VanDerWaalsContact CZ-CE2 3.47Å; F124-Y249 AromaticContact CZ-CZ 3.98Å; F126-Y249 AromaticContact CD1-CD2 3.65Å; F126-Y249 HydrophobicContact CD1-CD2 3.65Å; F126-Y249 HydrophobicContact CD1-CE2 4.33Å; F126-Y249 HydrophobicContact CD2-CD2 4.08Å; F126-Y249 HydrophobicContact CD2-CE2 4.06Å; F126-Y249 AromaticContact CE1-CD2 3.72Å; F126-Y249 HydrophobicContact CE1-CD2 3.72Å; F126-Y249 HydrophobicContact CE2-CD2 4.14Å; F126-Y249 HydrophobicContact CE2-CE2 4.34Å; F126-Y249 AromaticContact CG-CD2 3.85Å; F126-Y249 HydrophobicContact CG-CD2 3.85Å; F126-Y249 HydrophobicContact CG-CE2 4.06Å; F126-Y249 AromaticContact CZ-CD2 3.97Å; F126-Y249 HydrophobicContact CZ-CD2 3.97Å; A245-Y249 WeakPolarHBondContact O-CB 3.41Å; A245-Y249 PolarHBondContact O-N 3.14Å; P246-Y249 PolarHBondContact O-N 3.26Å; I247-Y249 VanDerWaalsContact C-N 3.34Å; I247-Y249 PolarHBondContact O-N 3.21Å; Y249-F251 VanDerWaalsContact C-N 3.27Å; Y249-F251 PolarHBondContact O-N 3.25Å; Y249-A252 PolarHBondContact O-N 2.61Å; Y249-T253 HydrophobicContact CD2-CG2 3.9Å; Y249-T253 HydrophobicContact CE2-CG2 3.6Å; Y249-T253 WeakPolarHBondContact O-CB 3.05Å; Y249-T253 WeakPolarHBondContact O-CG2 3.34Å; Y249-T253 PolarHBondContact O-N 2.83Å; Y249-T253 PolarHBondContact O-OG1 3.07Å; Y249-L341 HydrophobicContact CD1-CD2 3.58Å; Y249-L341 HydrophobicContact CD1-CG 4.2Å; Y249-L341 HydrophobicContact CD2-CD2 3.97Å; Y249-L341 HydrophobicContact CE1-CD2 3.81Å; Y249-L341 HydrophobicContact CE1-CG 4.4Å; Y249-L341 HydrophobicContact CE2-CD2 4.2Å; Y249-L341 HydrophobicContact CG-CD2 3.65Å; Y249-L345 HydrophobicContact CD1-CD1 4.1Å; Y249-L345 HydrophobicContact CE1-CD1 3.97Å
250V97.3Very high95.9Very high9 Ų927.9 Ų27.96%0.05515%0.149CC..Hα-helixtrans-60.5-36.9-179.7170.40000111.8R40 W44 P246 I247 Y248 L345R40-V250 HydrophobicContact CB-CG1 4.23Å; R40-V250 HydrophobicContact CG-CG1 3.96Å; W44-V250 HydrophobicContact CD2-CG1 4.47Å; W44-V250 HydrophobicContact CE3-CB 4.25Å; W44-V250 HydrophobicContact CE3-CG1 4.31Å; W44-V250 HydrophobicContact CE3-CG2 4.17Å; W44-V250 HydrophobicContact CH2-CG2 4.02Å; W44-V250 HydrophobicContact CZ2-CG2 4.49Å; W44-V250 HydrophobicContact CZ3-CB 4.3Å; W44-V250 HydrophobicContact CZ3-CG2 3.84Å; P246-V250 WeakPolarHBondContact O-CG2 3.32Å; P246-V250 PolarHBondContact O-N 3.27Å; I247-V250 PolarHBondContact O-N 2.99Å; Y248-V250 VanDerWaalsContact C-N 3.34Å; Y248-V250 PolarHBondContact O-N 3.4Å; V250-L345 HydrophobicContact CG2-CD1 3.83Å; V250-L345 HydrophobicContact CG2-CD2 3.48Å; V250-L345 VanDerWaalsContact CG2-CD2 3.48Å; V250-L345 HydrophobicContact CG2-CG 4.26Å
251F97.8Very high95.9Very high0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-83-36.6-179.1-62.1-12.5000113S41 W44 K45 I247 Y248 Y249 T253 D254 A263 D266 T267 C270S41-F251 WeakPolarHBondContact O-CE1 3.3Å; W44-F251 HydrophobicContact CB-CE1 4.06Å; W44-F251 HydrophobicContact CB-CZ 4.33Å; K45-F251 HydrophobicContact CG-CE1 3.91Å; K45-F251 HydrophobicContact CG-CE2 4.35Å; K45-F251 HydrophobicContact CG-CZ 3.71Å; I247-F251 HydrophobicContact CG2-CD2 4.11Å; I247-F251 HydrophobicContact CG2-CE2 3.58Å; I247-F251 HydrophobicContact CG2-CZ 3.89Å; I247-F251 PolarHBondContact O-N 3.28Å; Y248-F251 PolarHBondContact O-N 3.39Å; Y248-F251 VanDerWaalsContact O-N 3.17Å; Y249-F251 VanDerWaalsContact C-N 3.27Å; Y249-F251 PolarHBondContact O-N 3.25Å; F251-T253 VanDerWaalsContact C-N 3.25Å; F251-T253 PolarHBondContact O-N 3.36Å; F251-D254 WeakPolarHBondContact O-CB 3.27Å; F251-D254 PolarHBondContact O-N 3.03Å; F251-A263 HydrophobicContact CB-CB 3.85Å; F251-D266 HydrophobicContact CD2-CB 4.13Å; F251-D266 HydrophobicContact CE2-CB 4.4Å; F251-T267 WeakPolarHBondContact CD2-OG1 3.41Å; F251-C270 HydrophobicContact CE2-CB 3.83Å; F251-C270 VanDerWaalsContact CE2-SG 3.51Å; F251-C270 HydrophobicContact CZ-CB 4.12Å; F251-C270 VanDerWaalsContact CZ-SG 3.59Å
252A96.4Very high95.9Very high14 Ų1435 Ų3512%0.11618%0.178CC..Hα-helixtrans-74.1-16.3179.100000112.9F126 Y248 Y249 R260 A263F126-A252 HydrophobicContact CZ-CB 3.89Å; Y248-A252 HydrophobicContact CD1-CB 4.35Å; Y248-A252 HydrophobicContact CE1-CB 3.94Å; Y248-A252 HydrophobicContact CE2-CB 4.17Å; Y248-A252 WeakPolarHBondContact O-CB 3.46Å; Y248-A252 PolarHBondContact O-N 3Å; Y249-A252 PolarHBondContact O-N 2.61Å; A252-R260 VanDerWaalsContact O-CD 3.26Å; A252-R260 WeakPolarHBondContact O-CD 3.48Å; A252-A263 HydrophobicContact CB-CB 4.15Å
253T95Very high96Very high61 Ų6134.4 Ų34.437%0.37418%0.176SC..THydrogen-bonded Turntrans-104.611.9176.1580000113.8F126 Y249 F251F126-T253 HydrophobicContact CD2-CG2 4.28Å; F126-T253 HydrophobicContact CE2-CG2 3.58Å; F126-T253 HydrophobicContact CZ-CG2 4.03Å; Y249-T253 HydrophobicContact CD2-CG2 3.9Å; Y249-T253 HydrophobicContact CE2-CG2 3.6Å; Y249-T253 WeakPolarHBondContact O-CB 3.05Å; Y249-T253 WeakPolarHBondContact O-CG2 3.34Å; Y249-T253 PolarHBondContact O-N 2.83Å; Y249-T253 PolarHBondContact O-OG1 3.07Å; F251-T253 VanDerWaalsContact C-N 3.25Å; F251-T253 PolarHBondContact O-N 3.36Å
254D95.3Very high96Very high2 Ų234.7 Ų34.71%0.01118%0.177CC..  trans-58.4132.2177-162.5-50.1000111.1S41 F251 D256 W259 R260S41-D254 WeakPolarHBondContact CB-OD2 3.43Å; S41-D254 PolarHBondContact OG-OD2 2.65Å; F251-D254 WeakPolarHBondContact O-CB 3.27Å; F251-D254 PolarHBondContact O-N 3.03Å; D254-D256 PolarHBondContact O-N 2.98Å; D254-D256 WeakPolarHBondContact OD1-CB 3.16Å; D254-D256 PolarHBondContact OD1-N 2.88Å; D254-W259 HydrophobicContact CB-CB 4.21Å; D254-R260 HydrophobicContact CB-CG 3.87Å; D254-R260 WeakPolarHBondContact O-CD 3.46Å; D254-R260 WeakPolarHBondContact O-CG 3.36Å; D254-R260 PolarHBondContact O-NH1 3.27Å
255P94.1Very high96Very high84 Ų8435.1 Ų35.155%0.54518%0.179SC..SBendtrans-62.2-26.5176.323.7-34.1000113.2G38 E257 R260G38-P255 VanDerWaalsContact CA-CD 3.48Å; P255-E257 PolarHBondContact O-N 3.11Å; P255-R260 PolarHBondContact O-NH1 2.8Å
256D94Very high96.1Very high61 Ų6135 Ų3533%0.32618%0.178SC..  trans-82.7115.6178.6-174.3-19.2000111D254 S258 W259 R260D254-D256 PolarHBondContact O-N 2.98Å; D254-D256 WeakPolarHBondContact OD1-CB 3.16Å; D254-D256 PolarHBondContact OD1-N 2.88Å; D256-S258 VanDerWaalsContact CG-OG 3.23Å; D256-S258 PolarHBondContact O-N 3.25Å; D256-S258 WeakPolarHBondContact OD1-CB 3.3Å; D256-S258 PolarHBondContact OD1-N 3.26Å; D256-S258 PolarHBondContact OD1-OG 3.39Å; D256-S258 PolarHBondContact OD2-OG 3.46Å; D256-W259 PolarHBondContact O-N 3.39Å; D256-W259 VanDerWaalsContact OD2-CD1 3.3Å; D256-R260 PolarHBondContact O-N 2.9Å
257E93.9Very high96.1Very high124 Ų12434.7 Ų34.758%0.57918%0.176SC*.Hα-helixtrans-55.3-37179.7-161.3-170.7151.900112.6Y133 P255 W259 R260 K261Y133-E257 WeakPolarHBondContact OH-CG 3.41Å; P255-E257 PolarHBondContact O-N 3.11Å; E257-W259 PolarHBondContact O-N 3.09Å; E257-R260 PolarHBondContact O-N 2.97Å; E257-K261 VanDerWaalsContact O-CB 3.32Å; E257-K261 WeakPolarHBondContact O-CB 3.2Å; E257-K261 PolarHBondContact O-N 3.39Å
258S92.7Very high96.1Very high61 Ų6134.9 Ų34.943%0.42718%0.177SC..Hα-helixtrans-67.6-22.8-17973.20000112.8D256 Y262D256-S258 VanDerWaalsContact CG-OG 3.23Å; D256-S258 PolarHBondContact O-N 3.25Å; D256-S258 WeakPolarHBondContact OD1-CB 3.3Å; D256-S258 PolarHBondContact OD1-N 3.26Å; D256-S258 PolarHBondContact OD1-OG 3.39Å; D256-S258 PolarHBondContact OD2-OG 3.46Å; S258-Y262 VanDerWaalsContact O-CD2 3.31Å; S258-Y262 WeakPolarHBondContact O-CD2 3.36Å
259W94.9Very high96.1Very high38 Ų3835.9 Ų35.914%0.14418%0.181CC..Hα-helixtrans-90.2-43.8172.6-71106.7000111.6K45 L51 I62 D254 D256 E257 K261 Y262 A263K45-W259 HydrophobicContact CD-CE3 4.04Å; K45-W259 HydrophobicContact CD-CH2 4.47Å; K45-W259 HydrophobicContact CD-CZ3 3.83Å; L51-W259 HydrophobicContact CD1-CH2 4.26Å; L51-W259 HydrophobicContact CD2-CH2 4.07Å; I62-W259 HydrophobicContact CD1-CH2 3.69Å; I62-W259 HydrophobicContact CD1-CZ3 4.29Å; D254-W259 HydrophobicContact CB-CB 4.21Å; D256-W259 PolarHBondContact O-N 3.39Å; D256-W259 VanDerWaalsContact OD2-CD1 3.3Å; E257-W259 PolarHBondContact O-N 3.09Å; W259-K261 VanDerWaalsContact C-N 3.3Å; W259-K261 PolarHBondContact O-N 3.21Å; W259-Y262 PolarHBondContact O-N 2.61Å; W259-A263 PolarHBondContact O-N 3.03Å
260R94.5Very high96.2Very high45 Ų4533.1 Ų33.117%0.1717%0.17CC..Hα-helixtrans-57.8-42.3177.8-68.4-158.4-54.5-71.9-0.5112.8E132 Y133 A252 D254 P255 D256 E257 Y262 A263E132-R260 IonicContact OE2-CZ 2.91Å; E132-R260 IonicContact OE2-NE 2.95Å; E132-R260 PolarHBondContact OE2-NE 3.25Å; E132-R260 VanDerWaalsContact OE2-NE 3.15Å; E132-R260 IonicContact OE2-NH2 3.99Å; E132-R260 PolarHBondContact OE2-NH2 3.06Å; Y133-R260 HydrophobicContact CD2-CB 4.42Å; Y133-R260 HydrophobicContact CE2-CB 3.67Å; A252-R260 VanDerWaalsContact O-CD 3.26Å; A252-R260 WeakPolarHBondContact O-CD 3.48Å; D254-R260 HydrophobicContact CB-CG 3.87Å; D254-R260 WeakPolarHBondContact O-CD 3.46Å; D254-R260 WeakPolarHBondContact O-CG 3.36Å; D254-R260 PolarHBondContact O-NH1 3.27Å; P255-R260 PolarHBondContact O-NH1 2.8Å; D256-R260 PolarHBondContact O-N 2.9Å; E257-R260 PolarHBondContact O-N 2.97Å; R260-Y262 PolarHBondContact O-N 3.18Å; R260-Y262 VanDerWaalsContact O-N 3.08Å; R260-A263 WeakPolarHBondContact O-CB 3.4Å; R260-A263 PolarHBondContact O-N 3.06Å
261K95Very high96.3Very high81 Ų8132.7 Ų32.735%0.35217%0.168SC..THydrogen-bonded Turntrans-52.8-34.8-179.1-179.7175.2180179.20112.8Y133 L138 E257 W259Y133-K261 HydrophobicContact CD1-CB 4.01Å; Y133-K261 HydrophobicContact CD1-CG 3.83Å; Y133-K261 HydrophobicContact CE1-CB 3.77Å; Y133-K261 HydrophobicContact CE1-CD 4.47Å; Y133-K261 HydrophobicContact CE1-CG 3.91Å; Y133-K261 HydrophobicContact CE2-CB 4.34Å; Y133-K261 HydrophobicContact CG-CB 4.39Å; Y133-K261 HydrophobicContact CG-CG 4.43Å; L138-K261 HydrophobicContact CD2-CG 3.82Å; L138-K261 VanDerWaalsContact CD2-O 3.27Å; L138-K261 WeakPolarHBondContact CD2-O 3.34Å; E257-K261 VanDerWaalsContact O-CB 3.32Å; E257-K261 WeakPolarHBondContact O-CB 3.2Å; E257-K261 PolarHBondContact O-N 3.39Å; W259-K261 VanDerWaalsContact C-N 3.3Å; W259-K261 PolarHBondContact O-N 3.21Å
262Y96Very high96.3Very high70 Ų7034 Ų3428%0.27518%0.175SC..THydrogen-bonded Turntrans-110.119.7-177.5-57.2-78000112.7R66 S258 W259 R260 E264 M265 D266R66-Y262 HydrophobicContact CG-CD1 4.48Å; R66-Y262 VanDerWaalsContact CZ-CD2 3.41Å; R66-Y262 VanDerWaalsContact CZ-CG 3.42Å; S258-Y262 VanDerWaalsContact O-CD2 3.31Å; S258-Y262 WeakPolarHBondContact O-CD2 3.36Å; W259-Y262 PolarHBondContact O-N 2.61Å; R260-Y262 PolarHBondContact O-N 3.18Å; R260-Y262 VanDerWaalsContact O-N 3.08Å; Y262-E264 PolarHBondContact O-N 3.14Å; Y262-M265 HydrophobicContact CD1-CE 4.48Å; Y262-M265 HydrophobicContact CD1-SD 3.65Å; Y262-M265 HydrophobicContact CE1-SD 4.42Å; Y262-M265 PolarHBondContact O-N 3.27Å; Y262-D266 WeakPolarHBondContact O-CB 3.35Å; Y262-D266 PolarHBondContact O-N 3.07Å
263A97.2Very high96.3Very high2 Ų234.9 Ų34.92%0.01718%0.177CC..Hα-helixtrans-54.7-38.3-179.600000112.1Y248 F251 A252 W259 R260 T267Y248-A263 HydrophobicContact CE2-CB 4.39Å; F251-A263 HydrophobicContact CB-CB 3.85Å; A252-A263 HydrophobicContact CB-CB 4.15Å; W259-A263 PolarHBondContact O-N 3.03Å; R260-A263 WeakPolarHBondContact O-CB 3.4Å; R260-A263 PolarHBondContact O-N 3.06Å; A263-T267 WeakPolarHBondContact O-CB 3.37Å; A263-T267 PolarHBondContact O-N 3.45Å; A263-T267 PolarHBondContact O-OG1 2.91Å
264E97.1Very high96.4Very high6 Ų632 Ų323%0.02816%0.159CC..Hα-helixtrans-58.6-55.3177.3-175.7-177.515800112.4Y69 V219 R222 I223 Y262 T267 F268Y69-E264 HydrophobicContact CE1-CG 3.93Å; Y69-E264 WeakPolarHBondContact CE1-OE1 3.32Å; Y69-E264 PolarHBondContact OH-OE1 2.56Å; V219-E264 HydrophobicContact CG1-CB 3.75Å; V219-E264 HydrophobicContact CG1-CG 3.58Å; R222-E264 IonicContact CZ-OE1 3.49Å; R222-E264 IonicContact CZ-OE2 3.56Å; R222-E264 VanDerWaalsContact NE-CD 3.33Å; R222-E264 IonicContact NE-OE1 3.02Å; R222-E264 PolarHBondContact NE-OE1 2.79Å; R222-E264 IonicContact NE-OE2 3.59Å; R222-E264 PolarHBondContact NE-OE2 3.39Å; R222-E264 IonicContact NH2-OE1 2.68Å; R222-E264 IonicContact NH2-OE2 2.89Å; R222-E264 PolarHBondContact NH2-OE2 3.3Å; I223-E264 HydrophobicContact CD1-CB 4.5Å; I223-E264 HydrophobicContact CD1-CG 3.86Å; I223-E264 HydrophobicContact CG1-CG 3.54Å; Y262-E264 PolarHBondContact O-N 3.14Å; E264-T267 WeakPolarHBondContact O-CB 3.48Å; E264-T267 PolarHBondContact O-N 3.44Å; E264-F268 PolarHBondContact O-N 3.24Å
265M97Very high96.4Very high8 Ų831.9 Ų31.94%0.03916%0.159CC..Hα-helixtrans-62.8-45.7-179-64167173.800111.2R66 Y69 E70 F139 Y262 T267 F268 Y269R66-M265 HydrophobicContact CB-SD 3.48Å; R66-M265 WeakPolarHBondContact CB-SD 3.19Å; R66-M265 HydrophobicContact CG-CB 4Å; R66-M265 HydrophobicContact CG-CG 4.43Å; R66-M265 HydrophobicContact CG-SD 3.59Å; R66-M265 VanDerWaalsContact CG-SD 3.59Å; Y69-M265 HydrophobicContact CD1-CB 4.26Å; Y69-M265 HydrophobicContact CD1-CG 3.49Å; Y69-M265 VanDerWaalsContact CD1-CG 3.49Å; Y69-M265 HydrophobicContact CE1-CG 4.19Å; Y69-M265 HydrophobicContact CG-CB 4.38Å; Y69-M265 HydrophobicContact CG-CG 4Å; E70-M265 HydrophobicContact CB-CE 4.44Å; F139-M265 HydrophobicContact CD1-CE 4.34Å; F139-M265 HydrophobicContact CE1-CE 3.34Å; F139-M265 HydrophobicContact CZ-CE 3.78Å; Y262-M265 HydrophobicContact CD1-CE 4.48Å; Y262-M265 HydrophobicContact CD1-SD 3.65Å; Y262-M265 HydrophobicContact CE1-SD 4.42Å; Y262-M265 PolarHBondContact O-N 3.27Å; M265-T267 VanDerWaalsContact C-N 3.28Å; M265-T267 PolarHBondContact O-N 2.92Å; M265-F268 WeakPolarHBondContact O-CB 3.45Å; M265-F268 PolarHBondContact O-N 3.43Å; M265-Y269 WeakPolarHBondContact O-CD2 3.44Å; M265-Y269 PolarHBondContact O-N 3.37Å
266D98.2Very high96.3Very high0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-65.1-36.4-179.5-66.50.8000110.6K45 Y50 R66 F251 Y262 C270K45-D266 WeakPolarHBondContact CE-OD2 3.42Å; Y50-D266 HydrophobicContact CE1-CB 3.95Å; Y50-D266 VanDerWaalsContact CZ-OD1 3.28Å; Y50-D266 PolarHBondContact OH-OD1 2.96Å; R66-D266 IonicContact CZ-OD1 3.64Å; R66-D266 IonicContact CZ-OD2 2.85Å; R66-D266 IonicContact NE-OD1 3.4Å; R66-D266 PolarHBondContact NE-OD1 3.17Å; R66-D266 IonicContact NH2-OD1 3.49Å; R66-D266 PolarHBondContact NH2-OD1 3.27Å; R66-D266 IonicContact NH2-OD2 2.89Å; R66-D266 PolarHBondContact NH2-OD2 3.19Å; F251-D266 HydrophobicContact CD2-CB 4.13Å; F251-D266 HydrophobicContact CE2-CB 4.4Å; Y262-D266 WeakPolarHBondContact O-CB 3.35Å; Y262-D266 PolarHBondContact O-N 3.07Å; D266-C270 WeakPolarHBondContact O-CB 3.47Å; D266-C270 PolarHBondContact O-N 3.44Å; D266-C270 VanDerWaalsContact O-N 3.09Å; D266-C270 PolarHBondContact O-SG 3.44Å
267T98.7Very high96.2Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-63.6-46.6174.7-61.40000111I223 I244 I247 Y248 F251 A263 E264 M265 Y269 C270 F271I223-T267 HydrophobicContact CD1-CG2 3.94Å; I244-T267 HydrophobicContact CD1-CG2 3.99Å; I244-T267 HydrophobicContact CG1-CG2 3.6Å; I247-T267 HydrophobicContact CB-CG2 4.38Å; I247-T267 HydrophobicContact CG2-CG2 4.11Å; Y248-T267 WeakPolarHBondContact CA-OG1 3.5Å; Y248-T267 HydrophobicContact CD2-CG2 4.34Å; F251-T267 WeakPolarHBondContact CD2-OG1 3.41Å; A263-T267 WeakPolarHBondContact O-CB 3.37Å; A263-T267 PolarHBondContact O-N 3.45Å; A263-T267 PolarHBondContact O-OG1 2.91Å; E264-T267 WeakPolarHBondContact O-CB 3.48Å; E264-T267 PolarHBondContact O-N 3.44Å; M265-T267 VanDerWaalsContact C-N 3.28Å; M265-T267 PolarHBondContact O-N 2.92Å; T267-Y269 VanDerWaalsContact C-N 3.32Å; T267-Y269 PolarHBondContact O-N 2.8Å; T267-C270 PolarHBondContact O-N 3.08Å; T267-F271 WeakPolarHBondContact O-CB 3.43Å; T267-F271 PolarHBondContact O-N 2.91Å
268F98.5Very high96Very high5 Ų527.1 Ų27.12%0.02214%0.135CC..Hα-helixtrans-52.3-50.6178.8170.6-99.8000111.8Y69 Y72 I223 V226 T230 E264 M265 N272Y69-F268 HydrophobicContact CD2-CB 3.62Å; Y69-F268 AromaticContact CD2-CD1 3.53Å; Y69-F268 HydrophobicContact CD2-CD1 3.53Å; Y69-F268 HydrophobicContact CD2-CD2 4.03Å; Y69-F268 HydrophobicContact CD2-CE1 4.18Å; Y69-F268 AromaticContact CD2-CG 3.43Å; Y69-F268 HydrophobicContact CD2-CG 3.43Å; Y69-F268 VanDerWaalsContact CD2-CG 3.43Å; Y69-F268 HydrophobicContact CE2-CB 3.43Å; Y69-F268 VanDerWaalsContact CE2-CB 3.43Å; Y69-F268 HydrophobicContact CE2-CD1 4.04Å; Y69-F268 AromaticContact CE2-CD2 3.69Å; Y69-F268 HydrophobicContact CE2-CD2 3.69Å; Y69-F268 HydrophobicContact CE2-CE2 4.46Å; Y69-F268 AromaticContact CE2-CG 3.43Å; Y69-F268 HydrophobicContact CE2-CG 3.43Å; Y69-F268 VanDerWaalsContact CE2-CG 3.43Å; Y72-F268 HydrophobicContact CD2-CE1 4.25Å; Y72-F268 HydrophobicContact CD2-CZ 4.24Å; Y72-F268 AromaticContact CE2-CE1 4Å; Y72-F268 HydrophobicContact CE2-CE1 4Å; Y72-F268 HydrophobicContact CE2-CZ 4.12Å; I223-F268 HydrophobicContact CG2-CB 3.78Å; I223-F268 HydrophobicContact CG2-CD2 4.01Å; I223-F268 HydrophobicContact CG2-CG 4.41Å; V226-F268 HydrophobicContact CB-CE2 4.39Å; V226-F268 HydrophobicContact CG1-CD2 4.13Å; V226-F268 HydrophobicContact CG1-CE2 3.71Å; V226-F268 HydrophobicContact CG1-CZ 4.19Å; T230-F268 HydrophobicContact CG2-CZ 4.36Å; E264-F268 PolarHBondContact O-N 3.24Å; M265-F268 WeakPolarHBondContact O-CB 3.45Å; M265-F268 PolarHBondContact O-N 3.43Å; F268-N272 WeakPolarHBondContact O-CB 3.02Å; F268-N272 PolarHBondContact O-N 3.39Å
269Y98.4Very high95.7Very high25 Ų2525.2 Ų25.210%0.09812%0.119CC..Hα-helixtrans-70.9-39.2-178.2-76.3-77.5000113.2Y50 N65 Q68 M265 T267 N272 N273Y50-Y269 HydrophobicContact CD2-CG 4.26Å; Y50-Y269 HydrophobicContact CE2-CD2 4.08Å; Y50-Y269 HydrophobicContact CE2-CG 4.08Å; N65-Y269 HydrophobicContact CB-CD2 3.72Å; N65-Y269 HydrophobicContact CB-CE1 4.3Å; N65-Y269 HydrophobicContact CB-CE2 3.45Å; N65-Y269 VanDerWaalsContact CB-CE2 3.45Å; N65-Y269 HydrophobicContact CB-CG 4.28Å; N65-Y269 WeakPolarHBondContact O-CE2 3.44Å; N65-Y269 PolarHBondContact O-OH 2.67Å; Q68-Y269 VanDerWaalsContact CB-OH 3.23Å; Q68-Y269 WeakPolarHBondContact CB-OH 3.49Å; M265-Y269 WeakPolarHBondContact O-CD2 3.44Å; M265-Y269 PolarHBondContact O-N 3.37Å; T267-Y269 VanDerWaalsContact C-N 3.32Å; T267-Y269 PolarHBondContact O-N 2.8Å; Y269-N272 PolarHBondContact O-N 2.94Å; Y269-N273 WeakPolarHBondContact O-CB 3.34Å; Y269-N273 PolarHBondContact O-N 2.56Å; Y269-N273 PolarHBondContact O-ND2 2.86Å; Y269-N273 PolarHBondContact O-OD1 3.43Å
270C98.5Very high95.2Very high0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-64.3-43.1176-69.60000111.5L48 Y50 I247 F251 D266 T267 N273 L274L48-C270 HydrophobicContact CB-CB 4.15Å; L48-C270 HydrophobicContact CD1-CB 3.79Å; Y50-C270 WeakPolarHBondContact CB-SG 3.4Å; I247-C270 HydrophobicContact CG2-CB 4.05Å; F251-C270 HydrophobicContact CE2-CB 3.83Å; F251-C270 VanDerWaalsContact CE2-SG 3.51Å; F251-C270 HydrophobicContact CZ-CB 4.12Å; F251-C270 VanDerWaalsContact CZ-SG 3.59Å; D266-C270 WeakPolarHBondContact O-CB 3.47Å; D266-C270 PolarHBondContact O-N 3.44Å; D266-C270 VanDerWaalsContact O-N 3.09Å; D266-C270 PolarHBondContact O-SG 3.44Å; T267-C270 PolarHBondContact O-N 3.08Å; C270-N273 PolarHBondContact O-N 2.94Å; C270-L274 WeakPolarHBondContact O-CB 3.43Å; C270-L274 PolarHBondContact O-N 3.02Å
271F98.5Very high94.7Very high0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-62.4-46.7174.3176.6-103.7000111L224 Y227 M240 I243 I244 I247 T267 N273 L274 M275L224-F271 HydrophobicContact CD2-CE1 4.13Å; L224-F271 HydrophobicContact CD2-CZ 3.99Å; Y227-F271 HydrophobicContact CD1-CE1 4.02Å; Y227-F271 AromaticContact CD2-CD1 3.76Å; Y227-F271 HydrophobicContact CD2-CD1 3.76Å; Y227-F271 AromaticContact CD2-CE1 3.63Å; Y227-F271 HydrophobicContact CD2-CE1 3.63Å; Y227-F271 HydrophobicContact CE1-CE1 4.31Å; Y227-F271 HydrophobicContact CE2-CD1 4.16Å; Y227-F271 AromaticContact CE2-CE1 3.9Å; Y227-F271 HydrophobicContact CE2-CE1 3.9Å; Y227-F271 HydrophobicContact CG-CD1 4.16Å; Y227-F271 AromaticContact CG-CE1 3.68Å; Y227-F271 HydrophobicContact CG-CE1 3.68Å; M240-F271 HydrophobicContact CB-CZ 4.12Å; M240-F271 HydrophobicContact CG-CZ 4.29Å; I243-F271 HydrophobicContact CB-CE2 4.09Å; I243-F271 HydrophobicContact CG2-CD2 4.04Å; I243-F271 HydrophobicContact CG2-CE2 3.77Å; I244-F271 HydrophobicContact CB-CD2 3.61Å; I244-F271 HydrophobicContact CB-CE2 3.79Å; I244-F271 HydrophobicContact CB-CG 4.2Å; I244-F271 HydrophobicContact CD1-CB 4.11Å; I244-F271 HydrophobicContact CD1-CD1 4.02Å; I244-F271 HydrophobicContact CD1-CD2 4.11Å; I244-F271 HydrophobicContact CD1-CG 3.8Å; I244-F271 HydrophobicContact CG1-CB 4.11Å; I244-F271 HydrophobicContact CG1-CD2 3.82Å; I244-F271 HydrophobicContact CG1-CE2 4.41Å; I244-F271 HydrophobicContact CG1-CG 3.92Å; I247-F271 HydrophobicContact CD1-CB 4.45Å; I247-F271 HydrophobicContact CD1-CD2 4.49Å; T267-F271 WeakPolarHBondContact O-CB 3.43Å; T267-F271 PolarHBondContact O-N 2.91Å; F271-N273 VanDerWaalsContact C-N 3.34Å; F271-N273 PolarHBondContact O-N 3.02Å; F271-L274 WeakPolarHBondContact O-CB 3.41Å; F271-L274 PolarHBondContact O-N 3.43Å; F271-M275 HydrophobicContact CD1-CG 4.08Å; F271-M275 HydrophobicContact CD2-CG 4.23Å; F271-M275 HydrophobicContact CE1-CG 3.64Å; F271-M275 HydrophobicContact CE1-SD 4.41Å; F271-M275 HydrophobicContact CE2-CG 3.81Å; F271-M275 HydrophobicContact CE2-SD 3.78Å; F271-M275 HydrophobicContact CG-CG 4.36Å; F271-M275 HydrophobicContact CZ-CG 3.49Å; F271-M275 VanDerWaalsContact CZ-CG 3.49Å; F271-M275 HydrophobicContact CZ-SD 3.67Å; F271-M275 WeakPolarHBondContact O-CG 3.21Å; F271-M275 PolarHBondContact O-N 2.95Å
272N97.6Very high93.9Very high27 Ų2721.6 Ų21.614%0.14411%0.112CC..Hα-helixtrans-55.9-48.8176.8-177.570.1000112Y227 H231 F268 Y269 L274 M275 T276Y227-N272 HydrophobicContact CE2-CB 4.47Å; H231-N272 PolarHBondContact CE1-OD1 3.45Å; H231-N272 PolarHBondContact NE2-OD1 3.47Å; F268-N272 WeakPolarHBondContact O-CB 3.02Å; F268-N272 PolarHBondContact O-N 3.39Å; Y269-N272 PolarHBondContact O-N 2.94Å; N272-L274 VanDerWaalsContact C-N 3.35Å; N272-L274 PolarHBondContact O-N 3.19Å; N272-M275 PolarHBondContact O-N 3.39Å; N272-T276 WeakPolarHBondContact O-CG2 3.49Å; N272-T276 PolarHBondContact O-N 3.3Å; N272-T276 VanDerWaalsContact O-N 3.14Å
273N97.3Very high92.8Very high32 Ų3221.6 Ų21.617%0.17112%0.116CC..Hα-helixtrans-62.2-43.1178.2-68.4-11.3000111.5L48 N49 Y269 C270 F271 M275 T276L48-N273 WeakPolarHBondContact O-CB 3.49Å; L48-N273 PolarHBondContact O-ND2 2.6Å; N49-N273 PolarHBondContact O-ND2 3.29Å; Y269-N273 WeakPolarHBondContact O-CB 3.34Å; Y269-N273 PolarHBondContact O-N 2.56Å; Y269-N273 PolarHBondContact O-ND2 2.86Å; Y269-N273 PolarHBondContact O-OD1 3.43Å; C270-N273 PolarHBondContact O-N 2.94Å; F271-N273 VanDerWaalsContact C-N 3.34Å; F271-N273 PolarHBondContact O-N 3.02Å; N273-M275 VanDerWaalsContact C-N 3.34Å; N273-M275 PolarHBondContact O-N 2.98Å; N273-T276 PolarHBondContact O-N 2.93Å; N273-T276 PolarHBondContact O-OG1 3.49Å
274L97.3Very high91.1Very high0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-60.1-44.4174.8177.259.5000111.8L48 I243 I247 C270 F271 N272 T276 E277 I278 F352 F358L48-L274 HydrophobicContact CD2-CB 4.23Å; L48-L274 HydrophobicContact CD2-CD1 4.33Å; I243-L274 HydrophobicContact CG2-CD2 3.58Å; I247-L274 HydrophobicContact CD1-CD2 3.78Å; C270-L274 WeakPolarHBondContact O-CB 3.43Å; C270-L274 PolarHBondContact O-N 3.02Å; F271-L274 WeakPolarHBondContact O-CB 3.41Å; F271-L274 PolarHBondContact O-N 3.43Å; N272-L274 VanDerWaalsContact C-N 3.35Å; N272-L274 PolarHBondContact O-N 3.19Å; L274-T276 PolarHBondContact O-N 3.42Å; L274-E277 WeakPolarHBondContact O-CB 3.37Å; L274-E277 PolarHBondContact O-N 2.89Å; L274-I278 HydrophobicContact CD1-CD1 4.26Å; L274-I278 HydrophobicContact CD1-CG1 4.47Å; L274-I278 HydrophobicContact CD1-CG2 4.07Å; L274-I278 HydrophobicContact CD2-CD1 4.22Å; L274-I278 HydrophobicContact CG-CD1 3.9Å; L274-I278 HydrophobicContact CG-CG1 4.22Å; L274-I278 PolarHBondContact O-N 3.44Å; L274-I278 VanDerWaalsContact O-N 3.09Å; L274-F352 HydrophobicContact CD1-CE1 3.92Å; L274-F352 HydrophobicContact CD2-CE1 4.44Å; L274-F352 HydrophobicContact CD2-CZ 4.25Å; L274-F358 HydrophobicContact CD1-CE1 4.34Å; L274-F358 HydrophobicContact CD1-CE2 4.01Å; L274-F358 HydrophobicContact CD1-CZ 3.4Å; L274-F358 VanDerWaalsContact CD1-CZ 3.4Å
275M95Very high88.9Confident0 Ų040.3 Ų40.30%019%0.192CC..Hα-helixtrans-62.2-29179.1-71.5-53.9-48.700112.3Y227 M240 F271 N272 N273 E277 I278 H279 F282Y227-M275 HydrophobicContact CE2-CB 4.06Å; Y227-M275 HydrophobicContact CE2-CG 4.06Å; Y227-M275 VanDerWaalsContact OH-CB 3.23Å; Y227-M275 WeakPolarHBondContact OH-CB 3.12Å; M240-M275 HydrophobicContact CE-CE 3.32Å; M240-M275 HydrophobicContact CE-SD 4.09Å; M240-M275 HydrophobicContact CG-CE 4.5Å; F271-M275 HydrophobicContact CD1-CG 4.08Å; F271-M275 HydrophobicContact CD2-CG 4.23Å; F271-M275 HydrophobicContact CE1-CG 3.64Å; F271-M275 HydrophobicContact CE1-SD 4.41Å; F271-M275 HydrophobicContact CE2-CG 3.81Å; F271-M275 HydrophobicContact CE2-SD 3.78Å; F271-M275 HydrophobicContact CG-CG 4.36Å; F271-M275 HydrophobicContact CZ-CG 3.49Å; F271-M275 VanDerWaalsContact CZ-CG 3.49Å; F271-M275 HydrophobicContact CZ-SD 3.67Å; F271-M275 WeakPolarHBondContact O-CG 3.21Å; F271-M275 PolarHBondContact O-N 2.95Å; N272-M275 PolarHBondContact O-N 3.39Å; N273-M275 VanDerWaalsContact C-N 3.34Å; N273-M275 PolarHBondContact O-N 2.98Å; M275-E277 PolarHBondContact O-N 3.14Å; M275-I278 HydrophobicContact CE-CG1 4.33Å; M275-I278 PolarHBondContact O-N 2.97Å; M275-I278 HydrophobicContact SD-CD1 4.15Å; M275-I278 HydrophobicContact SD-CG1 3.98Å; M275-H279 HydrophobicContact CE-CB 3.75Å; M275-H279 WeakPolarHBondContact O-CA 3.37Å; M275-H279 WeakPolarHBondContact O-CB 3.4Å; M275-H279 PolarHBondContact O-N 3.37Å; M275-F282 HydrophobicContact CE-CD2 3.81Å; M275-F282 HydrophobicContact CE-CE2 3.68Å; M275-F282 HydrophobicContact SD-CE2 4.21Å
276T92.8Very high86.5Confident101 Ų10144.3 Ų44.362%0.6221%0.213SC*.Hα-helixtrans-60.2-27.7172.671.60000113.3N272 N273 L274N272-T276 WeakPolarHBondContact O-CG2 3.49Å; N272-T276 PolarHBondContact O-N 3.3Å; N272-T276 VanDerWaalsContact O-N 3.14Å; N273-T276 PolarHBondContact O-N 2.93Å; N273-T276 PolarHBondContact O-OG1 3.49Å; L274-T276 PolarHBondContact O-N 3.42Å
277E91Very high84.2Confident68 Ų6846 Ų4632%0.31822%0.222SC..Hα-helixtrans-88.6-41.3178.2-62177-98.600111.9L274 M275 R357 F358L274-E277 WeakPolarHBondContact O-CB 3.37Å; L274-E277 PolarHBondContact O-N 2.89Å; M275-E277 PolarHBondContact O-N 3.14Å; E277-R357 IonicContact OE1-CZ 3.65Å; E277-R357 IonicContact OE1-NE 3.68Å; E277-R357 IonicContact OE1-NH2 3.43Å; E277-R357 PolarHBondContact OE1-NH2 3.4Å; E277-R357 IonicContact OE2-CZ 2.81Å; E277-R357 IonicContact OE2-NE 2.66Å; E277-R357 PolarHBondContact OE2-NE 2.69Å; E277-R357 IonicContact OE2-NH2 3.65Å; E277-F358 HydrophobicContact CB-CD2 4.34Å; E277-F358 HydrophobicContact CB-CE2 3.85Å
278I90.7Very high81.9Confident1 Ų149.3 Ų49.31%0.00526%0.256CS..Hα-helixtrans-106.7-7.9-169.272.7169.7000115I243 L274 M275 P280 N281 F282 L334 F358I243-I278 HydrophobicContact CD1-CD1 4.2Å; I243-I278 HydrophobicContact CG1-CD1 4.21Å; I243-I278 HydrophobicContact CG2-CD1 4.02Å; L274-I278 HydrophobicContact CD1-CD1 4.26Å; L274-I278 HydrophobicContact CD1-CG1 4.47Å; L274-I278 HydrophobicContact CD1-CG2 4.07Å; L274-I278 HydrophobicContact CD2-CD1 4.22Å; L274-I278 HydrophobicContact CG-CD1 3.9Å; L274-I278 HydrophobicContact CG-CG1 4.22Å; L274-I278 PolarHBondContact O-N 3.44Å; L274-I278 VanDerWaalsContact O-N 3.09Å; M275-I278 HydrophobicContact CE-CG1 4.33Å; M275-I278 PolarHBondContact O-N 2.97Å; M275-I278 HydrophobicContact SD-CD1 4.15Å; M275-I278 HydrophobicContact SD-CG1 3.98Å; I278-P280 VanDerWaalsContact C-N 3.3Å; I278-N281 WeakPolarHBondContact O-CB 3.46Å; I278-N281 PolarHBondContact O-N 3.29Å; I278-F282 HydrophobicContact CD1-CE2 4.38Å; I278-F282 HydrophobicContact CG1-CE2 4.42Å; I278-L334 HydrophobicContact CD1-CD1 4.22Å; I278-F358 HydrophobicContact CG2-CD1 4.48Å; I278-F358 HydrophobicContact CG2-CD2 3.68Å; I278-F358 HydrophobicContact CG2-CE1 4.3Å; I278-F358 HydrophobicContact CG2-CE2 3.46Å; I278-F358 VanDerWaalsContact CG2-CE2 3.46Å; I278-F358 HydrophobicContact CG2-CG 4.21Å; I278-F358 HydrophobicContact CG2-CZ 3.81Å
279H86.5Confident79.4Confident20 Ų2051.9 Ų51.99%0.09328%0.275CS..G310 helixtrans-52.8-38.8179.3179.6-90.6000114.2Q234 M275 N281 F282Q234-H279 VanDerWaalsContact CB-NE2 3.28Å; Q234-H279 WeakPolarHBondContact CB-NE2 3.19Å; Q234-H279 PolarHBondContact OE1-CD2 3.42Å; M275-H279 HydrophobicContact CE-CB 3.75Å; M275-H279 WeakPolarHBondContact O-CA 3.37Å; M275-H279 WeakPolarHBondContact O-CB 3.4Å; M275-H279 PolarHBondContact O-N 3.37Å; H279-N281 PolarHBondContact O-N 3.45Å; H279-F282 PolarHBondContact O-N 3.37Å
280P84.2Confident77.2Confident59 Ų5956.5 Ų56.538%0.38330%0.297SS..G310 helixtrans-54.5-25.7174.8-27.837000113.9I278 F282 L283I278-P280 VanDerWaalsContact C-N 3.3Å; P280-F282 PolarHBondContact O-N 2.94Å; P280-L283 PolarHBondContact O-N 3.23Å; P280-L283 VanDerWaalsContact O-N 3.14Å
281N82.7Confident74.9Confident12 Ų1265.3 Ų65.36%0.06434%0.338CS..G310 helixtrans-68.2-17177.6-59.7-14.3000113.4I278 H279 L294I278-N281 WeakPolarHBondContact O-CB 3.46Å; I278-N281 PolarHBondContact O-N 3.29Å; H279-N281 PolarHBondContact O-N 3.45Å; N281-L294 HydrophobicContact CB-CD1 4.14Å; N281-L294 HydrophobicContact CB-CD2 3.85Å; N281-L294 HydrophobicContact CB-CG 3.93Å; N281-L294 WeakPolarHBondContact O-CD1 3.26Å
282F79.7Confident72.9Confident18 Ų1868.3 Ų68.38%0.07936%0.363CS..G310 helixtrans-90.4-11.8176.5-65.6-88.4000112.5V237 M240 I243 M275 I278 H279 P280 R284 L333V237-F282 HydrophobicContact CB-CB 4.21Å; V237-F282 HydrophobicContact CB-CD1 3.89Å; V237-F282 HydrophobicContact CB-CG 4.36Å; V237-F282 HydrophobicContact CG1-CB 4.17Å; V237-F282 HydrophobicContact CG1-CD1 3.75Å; V237-F282 HydrophobicContact CG1-CG 4.41Å; V237-F282 HydrophobicContact CG2-CB 4.2Å; M240-F282 HydrophobicContact CG-CE1 4.15Å; M240-F282 HydrophobicContact CG-CZ 4.2Å; I243-F282 HydrophobicContact CG1-CZ 4.14Å; M275-F282 HydrophobicContact CE-CD2 3.81Å; M275-F282 HydrophobicContact CE-CE2 3.68Å; M275-F282 HydrophobicContact SD-CE2 4.21Å; I278-F282 HydrophobicContact CD1-CE2 4.38Å; I278-F282 HydrophobicContact CG1-CE2 4.42Å; H279-F282 PolarHBondContact O-N 3.37Å; P280-F282 PolarHBondContact O-N 2.94Å; F282-R284 PolarHBondContact O-N 3.35Å; F282-R284 VanDerWaalsContact O-N 3.09Å; F282-L333 HydrophobicContact CE1-CD2 4.37Å
283L72.4Confident71.6Confident69 Ų6968.4 Ų68.436%0.36137%0.37SS..  trans-86.976-177.8-63.5176.9000111.2P280 K285 L286P280-L283 PolarHBondContact O-N 3.23Å; P280-L283 VanDerWaalsContact O-N 3.14Å; L283-K285 PolarHBondContact O-N 3.23Å; L283-L286 HydrophobicContact CB-CD1 3.9Å; L283-L286 HydrophobicContact CB-CG 4.26Å; L283-L286 HydrophobicContact CD1-CD1 3.64Å; L283-L286 HydrophobicContact CG-CD1 4.44Å; L283-L286 PolarHBondContact O-N 3.16Å
284R61.4Low70.8Confident199 Ų19966.9 Ų66.975%0.75136%0.362SS*.G310 helixtrans-49-28.6174.9-169-178.773-1661.4113.7F282 L286 D287F282-R284 PolarHBondContact O-N 3.35Å; F282-R284 VanDerWaalsContact O-N 3.09Å; R284-L286 VanDerWaalsContact C-N 3.27Å; R284-L286 PolarHBondContact O-N 2.86Å; R284-D287 PolarHBondContact O-N 3.35Å
285K49.7Very low70Confident203 Ų20367.3 Ų67.388%0.88337%0.367SS*.G310 helixtrans-68.6-20.3-178.6-72.3-175.1178.9179.40113.8L283L283-K285 PolarHBondContact O-N 3.23Å
286L47.7Very low69.4Low91 Ų9168 Ų6848%0.47637%0.373SS..G310 helixtrans-87.6-10.8179.9-67.7172.3000113.2L283 R284 G288 S289L283-L286 HydrophobicContact CB-CD1 3.9Å; L283-L286 HydrophobicContact CB-CG 4.26Å; L283-L286 HydrophobicContact CD1-CD1 3.64Å; L283-L286 HydrophobicContact CG-CD1 4.44Å; L283-L286 PolarHBondContact O-N 3.16Å; R284-L286 VanDerWaalsContact C-N 3.27Å; R284-L286 PolarHBondContact O-N 2.86Å; L286-G288 PolarHBondContact O-N 3.45Å; L286-G288 VanDerWaalsContact O-N 3.07Å; L286-S289 PolarHBondContact O-N 3.22Å; L286-S289 VanDerWaalsContact O-N 3.08Å; L286-S289 PolarHBondContact O-OG 3.03Å
287D50.4Low69.2Low35 Ų3564.4 Ų64.419%0.18735%0.349CS..THydrogen-bonded Turntrans-68.2-8.3-179.8-67.8-38.3000113.8R284 S289 G295R284-D287 PolarHBondContact O-N 3.35Å; D287-S289 VanDerWaalsContact C-N 3.26Å; D287-S289 PolarHBondContact O-N 3.41Å; D287-G295 PolarHBondContact OD1-N 3.44Å; D287-G295 VanDerWaalsContact OD1-N 3.11Å
288G49.4Very low69.1Low70 Ų7061.6 Ų61.672%0.72234%0.337SS*.THydrogen-bonded Turntrans-65.6-27.9169.600000113.1L286 H290L286-G288 PolarHBondContact O-N 3.45Å; L286-G288 VanDerWaalsContact O-N 3.07Å; G288-H290 PolarHBondContact O-N 3.05Å
289S46.6Very low69.1Low60 Ų6067.4 Ų67.442%0.4236%0.362SS..SBendtrans-92.293.8167.454.90000108.7L286 D287 E291 A292L286-S289 PolarHBondContact O-N 3.22Å; L286-S289 VanDerWaalsContact O-N 3.08Å; L286-S289 PolarHBondContact O-OG 3.03Å; D287-S289 VanDerWaalsContact C-N 3.26Å; D287-S289 PolarHBondContact O-N 3.41Å; S289-E291 PolarHBondContact O-N 3.47Å; S289-A292 PolarHBondContact O-N 3.06Å
290H51.4Low69.3Low122 Ų12269.3 Ų69.357%0.56537%0.372SS*.THydrogen-bonded Turntrans-56.84.3178.9-67.2-72.1000115.7G288G288-H290 PolarHBondContact O-N 3.05Å
291E51.4Low69.8Low184 Ų18466.6 Ų66.686%0.8635%0.354SS*.THydrogen-bonded Turntrans-102.3-24.1-173.8-61.7-175.216700113.5S289S289-E291 PolarHBondContact O-N 3.47Å
292A55.5Low70.3Confident63 Ų6368 Ų6852%0.52137%0.365SS..SBendtrans-134.6139.3-179.400000111.7S289S289-A292 PolarHBondContact O-N 3.06Å
293G71.2Confident71Confident29 Ų2971.6 Ų71.630%0.29939%0.385SS..SBendtrans93.7-150.7-179.700000114.3G296 Q297G293-G296 PolarHBondContact O-N 3.36Å; G293-Q297 PolarHBondContact O-N 3.32Å
294L79.2Confident72.1Confident1 Ų168.9 Ų68.91%0.00537%0.371CS..Hα-helixtrans-66.6-39.4-175.1-75.9-178.2000112.7N281 G296 Q297 M298 F328 L331N281-L294 HydrophobicContact CB-CD1 4.14Å; N281-L294 HydrophobicContact CB-CD2 3.85Å; N281-L294 HydrophobicContact CB-CG 3.93Å; N281-L294 WeakPolarHBondContact O-CD1 3.26Å; L294-G296 PolarHBondContact O-N 2.86Å; L294-Q297 PolarHBondContact O-N 2.93Å; L294-M298 HydrophobicContact CB-CE 4.35Å; L294-M298 WeakPolarHBondContact O-CG 3.35Å; L294-M298 PolarHBondContact O-N 3.36Å; L294-F328 HydrophobicContact CD1-CD2 3.47Å; L294-F328 VanDerWaalsContact CD1-CD2 3.47Å; L294-F328 HydrophobicContact CD1-CE2 3.29Å; L294-F328 HydrophobicContact CD1-CG 4.34Å; L294-F328 HydrophobicContact CD1-CZ 4.02Å; L294-L331 HydrophobicContact CD2-CB 3.51Å; L294-L331 HydrophobicContact CD2-CD1 4.23Å
295G81.2Confident73.7Confident9 Ų959.8 Ų59.89%0.09334%0.337CS..Hα-helixtrans-54.1-40.9173.300000112.8D287 M298 K299D287-G295 PolarHBondContact OD1-N 3.44Å; D287-G295 VanDerWaalsContact OD1-N 3.11Å; G295-M298 PolarHBondContact O-N 2.94Å; G295-K299 PolarHBondContact O-N 3.49Å
296G82.8Confident75.9Confident13 Ų1351.9 Ų51.913%0.13431%0.308CS..Hα-helixtrans-65.1-42.6174.400000112.8G293 L294 K299 I300G293-G296 PolarHBondContact O-N 3.36Å; L294-G296 PolarHBondContact O-N 2.86Å; G296-K299 PolarHBondContact O-N 3.3Å; G296-I300 VanDerWaalsContact O-CG1 3.3Å; G296-I300 WeakPolarHBondContact O-CG1 3.47Å; G296-I300 PolarHBondContact O-N 3.35Å
297Q87.5Confident78.1Confident26 Ų2653 Ų5312%0.12131%0.308CS..Hα-helixtrans-65.7-36.7175.6-70-166-13.200112.9G293 L294 I300 L301 L331 P362G293-Q297 PolarHBondContact O-N 3.32Å; L294-Q297 PolarHBondContact O-N 2.93Å; Q297-I300 PolarHBondContact O-N 3.24Å; Q297-L301 WeakPolarHBondContact O-CB 3.17Å; Q297-L301 PolarHBondContact O-N 3.48Å; Q297-L331 HydrophobicContact CB-CD1 3.73Å; Q297-P362 HydrophobicContact CB-CG 4.26Å; Q297-P362 HydrophobicContact CG-CG 4.38Å
298M89.7Confident80.2Confident10 Ų1053.7 Ų53.75%0.04931%0.31CS..Hα-helixtrans-67.1-37.4174.6-70-177.7-165.400112.1L294 G295 L301 S302 P323 E324 A327 F328 L331L294-M298 HydrophobicContact CB-CE 4.35Å; L294-M298 WeakPolarHBondContact O-CG 3.35Å; L294-M298 PolarHBondContact O-N 3.36Å; G295-M298 PolarHBondContact O-N 2.94Å; M298-L301 WeakPolarHBondContact O-CB 3.3Å; M298-L301 PolarHBondContact O-N 3.11Å; M298-S302 PolarHBondContact O-N 3.14Å; M298-S302 PolarHBondContact O-OG 3.46Å; M298-P323 HydrophobicContact CB-CB 4Å; M298-P323 HydrophobicContact CG-CB 4.13Å; M298-P323 HydrophobicContact SD-CB 4.42Å; M298-E324 HydrophobicContact SD-CG 3.94Å; M298-A327 HydrophobicContact CG-CB 4.2Å; M298-F328 VanDerWaalsContact CE-CA 3.47Å; M298-F328 HydrophobicContact CE-CB 3.65Å; M298-F328 HydrophobicContact CE-CD2 4.01Å; M298-F328 HydrophobicContact CE-CG 4.34Å; M298-L331 HydrophobicContact CG-CD1 3.91Å
299K89.8Confident82.4Confident123 Ų12350.9 Ų50.954%0.53528%0.278SS..Hα-helixtrans-63-48.4171.5-176.1177.4178.7-179.80111G295 G296 L301 S302 D303G295-K299 PolarHBondContact O-N 3.49Å; G296-K299 PolarHBondContact O-N 3.3Å; K299-L301 VanDerWaalsContact C-N 3.28Å; K299-L301 PolarHBondContact O-N 2.89Å; K299-S302 WeakPolarHBondContact O-CB 3.48Å; K299-S302 PolarHBondContact O-N 3.25Å; K299-D303 PolarHBondContact O-N 2.94Å
300I91.9Very high84.7Confident59 Ų5951.7 Ų51.730%0.30328%0.278SS..Hα-helixtrans-55.2-46.2174.4-68.5165.9000110.2G296 Q297 S302 D303 L304 P362G296-I300 VanDerWaalsContact O-CG1 3.3Å; G296-I300 WeakPolarHBondContact O-CG1 3.47Å; G296-I300 PolarHBondContact O-N 3.35Å; Q297-I300 PolarHBondContact O-N 3.24Å; I300-S302 VanDerWaalsContact C-N 3.33Å; I300-S302 PolarHBondContact O-N 2.95Å; I300-D303 PolarHBondContact O-N 2.83Å; I300-L304 HydrophobicContact CG2-CD1 3.68Å; I300-L304 HydrophobicContact CG2-CG 4.07Å; I300-L304 WeakPolarHBondContact O-CB 3.37Å; I300-L304 WeakPolarHBondContact O-CG 3.29Å; I300-L304 PolarHBondContact O-N 3.14Å; I300-P362 HydrophobicContact CB-CB 4.46Å; I300-P362 HydrophobicContact CG2-CB 3.82Å; I300-P362 HydrophobicContact CG2-CG 4.22Å
301L94.2Very high86.9Confident2 Ų250.6 Ų50.61%0.0128%0.276CS..Hα-helixtrans-57.8-43.4176.8175.959.2000112.5Q297 M298 K299 L304 L305 P323 F326 A327 C365 C366 L369Q297-L301 WeakPolarHBondContact O-CB 3.17Å; Q297-L301 PolarHBondContact O-N 3.48Å; M298-L301 WeakPolarHBondContact O-CB 3.3Å; M298-L301 PolarHBondContact O-N 3.11Å; K299-L301 VanDerWaalsContact C-N 3.28Å; K299-L301 PolarHBondContact O-N 2.89Å; L301-L304 PolarHBondContact O-N 3.39Å; L301-L305 WeakPolarHBondContact O-CB 3.31Å; L301-L305 PolarHBondContact O-N 3.4Å; L301-P323 HydrophobicContact CD2-CB 4.48Å; L301-F326 HydrophobicContact CD2-CE2 4.24Å; L301-A327 HydrophobicContact CD2-CB 3.79Å; L301-C365 HydrophobicContact CD1-CB 3.81Å; L301-C365 HydrophobicContact CD2-CB 4.14Å; L301-C366 HydrophobicContact CD1-CB 3.89Å; L301-L369 HydrophobicContact CD1-CD1 4.28Å
302S93.7Very high89Confident41 Ų4141.9 Ų41.929%0.28724%0.236SC..Hα-helixtrans-64.5-40.6177.6-59.50000112.7M298 K299 I300 S306 P323M298-S302 PolarHBondContact O-N 3.14Å; M298-S302 PolarHBondContact O-OG 3.46Å; K299-S302 WeakPolarHBondContact O-CB 3.48Å; K299-S302 PolarHBondContact O-N 3.25Å; I300-S302 VanDerWaalsContact C-N 3.33Å; I300-S302 PolarHBondContact O-N 2.95Å; S302-S306 WeakPolarHBondContact O-CB 3.32Å; S302-S306 PolarHBondContact O-N 2.84Å; S302-S306 PolarHBondContact O-OG 3.42Å; S302-P323 WeakPolarHBondContact OG-CG 3.41Å
303D94.3Very high91Very high94 Ų9439.2 Ų39.250%0.50321%0.213SC..Hα-helixtrans-67.6-43.4177.7-67-21000110.7K299 I300 S306 K307K299-D303 PolarHBondContact O-N 2.94Å; I300-D303 PolarHBondContact O-N 2.83Å; D303-S306 PolarHBondContact O-N 3.42Å; D303-K307 PolarHBondContact O-N 2.99Å
304L95.1Very high92.2Very high12 Ų1243.5 Ų43.56%0.06322%0.223CC..Hα-helixtrans-61.3-45.3175.5-68.9172.1000111.5I300 L301 S306 K307 F308 P362 Y363 C366I300-L304 HydrophobicContact CG2-CD1 3.68Å; I300-L304 HydrophobicContact CG2-CG 4.07Å; I300-L304 WeakPolarHBondContact O-CB 3.37Å; I300-L304 WeakPolarHBondContact O-CG 3.29Å; I300-L304 PolarHBondContact O-N 3.14Å; L301-L304 PolarHBondContact O-N 3.39Å; L304-S306 VanDerWaalsContact C-N 3.29Å; L304-S306 PolarHBondContact O-N 2.67Å; L304-K307 PolarHBondContact O-N 3.42Å; L304-F308 HydrophobicContact CB-CD2 4.36Å; L304-F308 HydrophobicContact CD2-CD2 4.33Å; L304-F308 HydrophobicContact CD2-CE2 3.74Å; L304-F308 VanDerWaalsContact O-CD2 3.26Å; L304-F308 WeakPolarHBondContact O-CD2 3.48Å; L304-F308 PolarHBondContact O-N 3.19Å; L304-P362 HydrophobicContact CD1-CB 3.93Å; L304-Y363 HydrophobicContact CD1-CD1 4.02Å; L304-Y363 HydrophobicContact CD1-CD2 3.86Å; L304-Y363 HydrophobicContact CD1-CE1 4.04Å; L304-Y363 HydrophobicContact CD1-CE2 3.83Å; L304-Y363 HydrophobicContact CD1-CG 3.91Å; L304-Y363 HydrophobicContact CD2-CD1 3.89Å; L304-Y363 HydrophobicContact CD2-CE1 3.31Å; L304-Y363 HydrophobicContact CD2-CE2 4.3Å; L304-Y363 HydrophobicContact CG-CE1 4.34Å; L304-C366 HydrophobicContact CB-CB 4.15Å
305L95.6Very high93Very high8 Ų844.7 Ų44.74%0.04223%0.229CC..Hα-helixtrans-61-41.1176.9-173.665.3000111.2L301 D309 L312 F316 L369 I370L301-L305 WeakPolarHBondContact O-CB 3.31Å; L301-L305 PolarHBondContact O-N 3.4Å; L305-D309 CarbonylContact O-C 3.43Å; L305-D309 WeakPolarHBondContact O-CA 3.16Å; L305-D309 PolarHBondContact O-N 3.33Å; L305-L312 HydrophobicContact CD1-CB 4.32Å; L305-L312 HydrophobicContact CD1-CD2 3.84Å; L305-L312 HydrophobicContact CD1-CG 4.1Å; L305-F316 HydrophobicContact CD2-CD2 3.65Å; L305-F316 HydrophobicContact CD2-CE2 3.82Å; L305-F316 HydrophobicContact CD2-CG 4.18Å; L305-F316 HydrophobicContact CD2-CZ 4.49Å; L305-L369 HydrophobicContact CD1-CB 4.39Å; L305-L369 HydrophobicContact CD1-CD1 4.37Å; L305-L369 HydrophobicContact CD2-CD1 4.3Å; L305-I370 HydrophobicContact CD1-CG1 4.48Å
306S95.3Very high93.7Very high38 Ų3844.9 Ų44.927%0.26623%0.227SC..Hα-helixtrans-66.5-35.9176.8-56.70000112.6S302 D303 L304 S313S302-S306 WeakPolarHBondContact O-CB 3.32Å; S302-S306 PolarHBondContact O-N 2.84Å; S302-S306 PolarHBondContact O-OG 3.42Å; D303-S306 PolarHBondContact O-N 3.42Å; L304-S306 VanDerWaalsContact C-N 3.29Å; L304-S306 PolarHBondContact O-N 2.67Å; S306-S313 PolarHBondContact OG-OG 3.27Å
307K94.7Very high94.4Very high113 Ų11351.4 Ų51.449%0.49125%0.252SS..Hα-helixtrans-69.4-50176.3-173.8-174.7174.2-165.20111.9D303 L304 D410D303-K307 PolarHBondContact O-N 2.99Å; L304-K307 PolarHBondContact O-N 3.42Å; K307-D410 PolarHBondContact NZ-O 3.42Å; K307-D410 IonicContact NZ-OD2 2.96Å; K307-D410 PolarHBondContact NZ-OD2 2.87Å
308F94.7Very high94.8Very high50 Ų5058.4 Ų58.422%0.21928%0.282CS..Hα-helixtrans-93.9-25-169.5-65.2-65.2000114.5L304 I370 F407L304-F308 HydrophobicContact CB-CD2 4.36Å; L304-F308 HydrophobicContact CD2-CD2 4.33Å; L304-F308 HydrophobicContact CD2-CE2 3.74Å; L304-F308 VanDerWaalsContact O-CD2 3.26Å; L304-F308 WeakPolarHBondContact O-CD2 3.48Å; L304-F308 PolarHBondContact O-N 3.19Å; F308-I370 HydrophobicContact CB-CD1 3.89Å; F308-F407 HydrophobicContact CB-CE1 4.3Å; F308-F407 HydrophobicContact CB-CZ 4.24Å; F308-F407 AromaticContact CD1-CD1 3.54Å; F308-F407 HydrophobicContact CD1-CD1 3.54Å; F308-F407 AromaticContact CD1-CE1 3.78Å; F308-F407 HydrophobicContact CD1-CE1 3.78Å; F308-F407 HydrophobicContact CD1-CG 4.1Å; F308-F407 HydrophobicContact CD2-CB 4.22Å; F308-F407 HydrophobicContact CD2-CD1 4.28Å; F308-F407 HydrophobicContact CD2-CD2 4.25Å; F308-F407 HydrophobicContact CD2-CG 4.02Å; F308-F407 HydrophobicContact CE1-CB 4.08Å; F308-F407 AromaticContact CE1-CD1 3.58Å; F308-F407 HydrophobicContact CE1-CD1 3.58Å; F308-F407 HydrophobicContact CE1-CE1 4.28Å; F308-F407 HydrophobicContact CE1-CG 4.03Å; F308-F407 HydrophobicContact CE2-CB 3.65Å; F308-F407 HydrophobicContact CE2-CD1 4.32Å; F308-F407 HydrophobicContact CE2-CD2 4.5Å; F308-F407 AromaticContact CE2-CG 3.94Å; F308-F407 HydrophobicContact CE2-CG 3.94Å; F308-F407 AromaticContact CG-CD1 3.91Å; F308-F407 HydrophobicContact CG-CD1 3.91Å; F308-F407 HydrophobicContact CG-CD2 4.42Å; F308-F407 HydrophobicContact CG-CE1 4.04Å; F308-F407 HydrophobicContact CG-CG 4.11Å; F308-F407 HydrophobicContact CG-CZ 4.33Å; F308-F407 HydrophobicContact CZ-CB 3.57Å; F308-F407 AromaticContact CZ-CD1 3.99Å; F308-F407 HydrophobicContact CZ-CD1 3.99Å; F308-F407 AromaticContact CZ-CG 3.94Å; F308-F407 HydrophobicContact CZ-CG 3.94Å
309D95.4Very high95.1Very high11 Ų1159.1 Ų59.16%0.05929%0.286CS..  trans-146.777.7172.8-164-20.7000111.8L305 N311 L312 S313 I370 R373L305-D309 CarbonylContact O-C 3.43Å; L305-D309 WeakPolarHBondContact O-CA 3.16Å; L305-D309 PolarHBondContact O-N 3.33Å; D309-N311 PolarHBondContact O-N 3.46Å; D309-N311 VanDerWaalsContact O-N 3.17Å; D309-N311 PolarHBondContact OD1-N 3.14Å; D309-L312 HydrophobicContact CB-CB 4.02Å; D309-L312 PolarHBondContact O-N 2.92Å; D309-L312 VanDerWaalsContact O-N 3.13Å; D309-L312 PolarHBondContact OD1-N 2.79Å; D309-L312 VanDerWaalsContact OD1-N 3.11Å; D309-S313 PolarHBondContact O-N 3.42Å; D309-I370 HydrophobicContact CB-CD1 4.17Å; D309-I370 HydrophobicContact CB-CG1 4.06Å; D309-R373 IonicContact OD1-NH2 2.92Å; D309-R373 PolarHBondContact OD1-NH2 3.02Å; D309-R373 IonicContact OD2-CZ 3.18Å; D309-R373 VanDerWaalsContact OD2-CZ 3.22Å; D309-R373 IonicContact OD2-NE 3.22Å; D309-R373 PolarHBondContact OD2-NE 2.89Å; D309-R373 IonicContact OD2-NH2 2.79Å; D309-R373 PolarHBondContact OD2-NH2 2.98Å
310N95.1Very high95.4Very high78 Ų7860.6 Ų60.642%0.41730%0.295SS..Hα-helixtrans-58.8-28.2179.8-170.828.1000113.3K314N310-K314 WeakPolarHBondContact ND2-CE 3.25Å; N310-K314 WeakPolarHBondContact O-CB 3.35Å; N310-K314 VanDerWaalsContact O-CG 3.26Å; N310-K314 WeakPolarHBondContact O-CG 3.49Å; N310-K314 PolarHBondContact O-N 3.48Å
311N96.6Very high95.5Very high99 Ų9958 Ų5853%0.52928%0.281SS..Hα-helixtrans-69.4-44.6177.5-71.4-20.9000110.8D309 K314 H315D309-N311 PolarHBondContact O-N 3.46Å; D309-N311 VanDerWaalsContact O-N 3.17Å; D309-N311 PolarHBondContact OD1-N 3.14Å; N311-K314 PolarHBondContact O-N 3.35Å; N311-H315 PolarHBondContact O-N 3.46Å
312L96.2Very high95.4Very high0 Ų061 Ų610%030%0.3CS..Hα-helixtrans-65-41.8175.3-172.256.1000111.5L305 D309 K314 H315 F316 L369 R373 L376 L377L305-L312 HydrophobicContact CD1-CB 4.32Å; L305-L312 HydrophobicContact CD1-CD2 3.84Å; L305-L312 HydrophobicContact CD1-CG 4.1Å; D309-L312 HydrophobicContact CB-CB 4.02Å; D309-L312 PolarHBondContact O-N 2.92Å; D309-L312 VanDerWaalsContact O-N 3.13Å; D309-L312 PolarHBondContact OD1-N 2.79Å; D309-L312 VanDerWaalsContact OD1-N 3.11Å; L312-K314 PolarHBondContact O-N 2.63Å; L312-H315 WeakPolarHBondContact O-CB 3.47Å; L312-H315 PolarHBondContact O-N 2.9Å; L312-F316 HydrophobicContact CD1-CD1 3.9Å; L312-F316 HydrophobicContact CD1-CE1 3.51Å; L312-F316 HydrophobicContact CD1-CZ 4.38Å; L312-F316 HydrophobicContact CG-CD1 4.21Å; L312-F316 HydrophobicContact CG-CE1 3.91Å; L312-F316 HydrophobicContact CG-CZ 4.44Å; L312-F316 WeakPolarHBondContact O-CD1 3.4Å; L312-F316 PolarHBondContact O-N 3.34Å; L312-L369 HydrophobicContact CD2-CB 4.37Å; L312-R373 HydrophobicContact CD2-CB 4.15Å; L312-L376 HydrophobicContact CD1-CB 3.65Å; L312-L376 HydrophobicContact CD1-CD1 4.14Å; L312-L376 HydrophobicContact CD2-CD1 4.13Å; L312-L377 HydrophobicContact CD1-CD2 4.17Å; L312-L377 HydrophobicContact CD1-CG 4.24Å
313S96.1Very high95.2Very high7 Ų759.8 Ų59.85%0.04929%0.291CS..Hα-helixtrans-59.1-44.5174.2177.30000112.6S306 D309 H315 F316 K317S306-S313 PolarHBondContact OG-OG 3.27Å; D309-S313 PolarHBondContact O-N 3.42Å; S313-H315 VanDerWaalsContact C-N 3.34Å; S313-H315 PolarHBondContact O-N 3.34Å; S313-F316 PolarHBondContact O-N 3.4Å; S313-K317 WeakPolarHBondContact O-CG 3.42Å; S313-K317 PolarHBondContact O-N 3.33Å
314K96.6Very high94.9Very high119 Ų11960.4 Ų60.452%0.51729%0.291SS..Hα-helixtrans-63-39.6174.9-74.9172.6-175.8175.10112.3N310 N311 L312 K317 K318N310-K314 WeakPolarHBondContact ND2-CE 3.25Å; N310-K314 WeakPolarHBondContact O-CB 3.35Å; N310-K314 VanDerWaalsContact O-CG 3.26Å; N310-K314 WeakPolarHBondContact O-CG 3.49Å; N310-K314 PolarHBondContact O-N 3.48Å; N311-K314 PolarHBondContact O-N 3.35Å; L312-K314 PolarHBondContact O-N 2.63Å; K314-K317 PolarHBondContact O-N 2.91Å; K314-K318 WeakPolarHBondContact O-CB 3.37Å; K314-K318 PolarHBondContact O-N 3.22Å
315H97.1Very high94.7Very high26 Ų2663.3 Ų63.312%0.1230%0.304CS..Hα-helixtrans-63.9-44.5175.9-173.565.5000111.4N311 L312 S313 K317 K318 I319 L376 L377 A379N311-H315 PolarHBondContact O-N 3.46Å; L312-H315 WeakPolarHBondContact O-CB 3.47Å; L312-H315 PolarHBondContact O-N 2.9Å; S313-H315 VanDerWaalsContact C-N 3.34Å; S313-H315 PolarHBondContact O-N 3.34Å; H315-K317 VanDerWaalsContact C-N 3.31Å; H315-K317 PolarHBondContact O-N 3.02Å; H315-K318 WeakPolarHBondContact O-CA 3.3Å; H315-K318 WeakPolarHBondContact O-CB 3.23Å; H315-K318 PolarHBondContact O-N 3.03Å; H315-I319 WeakPolarHBondContact O-CG1 3.39Å; H315-I319 PolarHBondContact O-N 2.91Å; H315-L376 PolarHBondContact CD2-O 3.22Å; H315-L376 PolarHBondContact NE2-O 3.28Å; H315-L377 HydrophobicContact CB-CD2 3.83Å; H315-A379 PolarHBondContact CE1-O 3.18Å; H315-A379 PolarHBondContact NE2-O 2.67Å
316F96.6Very high94.4Very high13 Ų1363.4 Ų63.46%0.05730%0.304CS..Hα-helixtrans-56.9-44.6175.9-84.530.7000111.6L305 L312 S313 K318 I319 E320 L321 F326 L369 L376L305-F316 HydrophobicContact CD2-CD2 3.65Å; L305-F316 HydrophobicContact CD2-CE2 3.82Å; L305-F316 HydrophobicContact CD2-CG 4.18Å; L305-F316 HydrophobicContact CD2-CZ 4.49Å; L312-F316 HydrophobicContact CD1-CD1 3.9Å; L312-F316 HydrophobicContact CD1-CE1 3.51Å; L312-F316 HydrophobicContact CD1-CZ 4.38Å; L312-F316 HydrophobicContact CG-CD1 4.21Å; L312-F316 HydrophobicContact CG-CE1 3.91Å; L312-F316 HydrophobicContact CG-CZ 4.44Å; L312-F316 WeakPolarHBondContact O-CD1 3.4Å; L312-F316 PolarHBondContact O-N 3.34Å; S313-F316 PolarHBondContact O-N 3.4Å; F316-K318 VanDerWaalsContact C-N 3.35Å; F316-K318 PolarHBondContact O-N 3.04Å; F316-I319 PolarHBondContact O-N 3.23Å; F316-E320 PolarHBondContact O-N 2.94Å; F316-L321 HydrophobicContact CD1-CD2 4.25Å; F316-L321 HydrophobicContact CD2-CD2 4.19Å; F316-L321 HydrophobicContact CD2-CG 4.4Å; F316-L321 HydrophobicContact CE1-CD2 3.95Å; F316-L321 HydrophobicContact CE2-CD2 3.91Å; F316-L321 HydrophobicContact CE2-CG 4.45Å; F316-L321 HydrophobicContact CG-CB 4.45Å; F316-L321 HydrophobicContact CG-CD2 4.35Å; F316-L321 HydrophobicContact CZ-CD2 3.77Å; F316-L321 PolarHBondContact O-N 3.43Å; F316-F326 HydrophobicContact CE2-CE1 4.27Å; F316-F326 HydrophobicContact CE2-CZ 4.15Å; F316-L369 HydrophobicContact CE2-CD1 4.13Å; F316-L369 HydrophobicContact CE2-CD2 4.38Å; F316-L369 HydrophobicContact CZ-CD1 4.49Å; F316-L369 HydrophobicContact CZ-CD2 4.11Å; F316-L376 HydrophobicContact CE1-CB 4.35Å; F316-L376 HydrophobicContact CE1-CD1 4.06Å; F316-L376 HydrophobicContact CZ-CD1 3.95Å
317K95.6Very high94.3Very high151 Ų15161.6 Ų61.666%0.65729%0.291SS*.Hα-helixtrans-62.4-39.7173.8-68.7175.9-175.11790112.5S313 K314 H315 E320S313-K317 WeakPolarHBondContact O-CG 3.42Å; S313-K317 PolarHBondContact O-N 3.33Å; K314-K317 PolarHBondContact O-N 2.91Å; H315-K317 VanDerWaalsContact C-N 3.31Å; H315-K317 PolarHBondContact O-N 3.02Å; K317-E320 PolarHBondContact O-N 2.67Å
318K96.7Very high94Very high172 Ų17259.7 Ų59.775%0.74828%0.283SS*.Hα-helixtrans-65.6-39.6178.7-179-172.9174.3-171.70112.6K314 H315 F316 E320K314-K318 WeakPolarHBondContact O-CB 3.37Å; K314-K318 PolarHBondContact O-N 3.22Å; H315-K318 WeakPolarHBondContact O-CA 3.3Å; H315-K318 WeakPolarHBondContact O-CB 3.23Å; H315-K318 PolarHBondContact O-N 3.03Å; F316-K318 VanDerWaalsContact C-N 3.35Å; F316-K318 PolarHBondContact O-N 3.04Å; K318-E320 VanDerWaalsContact C-N 3.34Å
319I96.4Very high93.8Very high25 Ų2561.5 Ų61.513%0.12829%0.288CS..THydrogen-bonded Turntrans-92.15.1179.470.3174.3000112.9H315 F316 L321 F381 A384H315-I319 WeakPolarHBondContact O-CG1 3.39Å; H315-I319 PolarHBondContact O-N 2.91Å; F316-I319 PolarHBondContact O-N 3.23Å; I319-L321 HydrophobicContact CD1-CB 3.82Å; I319-L321 HydrophobicContact CD1-CD2 4.2Å; I319-L321 HydrophobicContact CG1-CB 3.71Å; I319-L321 PolarHBondContact O-N 3.42Å; I319-F381 HydrophobicContact CB-CB 4.44Å; I319-F381 WeakPolarHBondContact O-CD2 3.45Å; I319-A384 HydrophobicContact CD1-CB 3.74Å
320E95.1Very high93.7Very high154 Ų15461 Ų6172%0.7229%0.286SS*.THydrogen-bonded Turntrans57.328.4-178.1-55.9-176.8157.900114.3F316 K317 K318 V322F316-E320 PolarHBondContact O-N 2.94Å; K317-E320 PolarHBondContact O-N 2.67Å; K318-E320 VanDerWaalsContact C-N 3.34Å; E320-V322 PolarHBondContact O-N 3.41Å
321L94.1Very high93.6Very high5 Ų557.3 Ų57.33%0.02627%0.266CS..  trans-8398.5175.6-176.667.2000110.3F316 I319 H325 F326 F381 A384 V385F316-L321 HydrophobicContact CD1-CD2 4.25Å; F316-L321 HydrophobicContact CD2-CD2 4.19Å; F316-L321 HydrophobicContact CD2-CG 4.4Å; F316-L321 HydrophobicContact CE1-CD2 3.95Å; F316-L321 HydrophobicContact CE2-CD2 3.91Å; F316-L321 HydrophobicContact CE2-CG 4.45Å; F316-L321 HydrophobicContact CG-CB 4.45Å; F316-L321 HydrophobicContact CG-CD2 4.35Å; F316-L321 HydrophobicContact CZ-CD2 3.77Å; F316-L321 PolarHBondContact O-N 3.43Å; I319-L321 HydrophobicContact CD1-CB 3.82Å; I319-L321 HydrophobicContact CD1-CD2 4.2Å; I319-L321 HydrophobicContact CG1-CB 3.71Å; I319-L321 PolarHBondContact O-N 3.42Å; L321-H325 HydrophobicContact CD1-CB 4.11Å; L321-F326 HydrophobicContact CD1-CD1 4.37Å; L321-F326 HydrophobicContact CG-CE1 4.26Å; L321-F381 HydrophobicContact CB-CD2 4.3Å; L321-F381 HydrophobicContact CD1-CD2 4.23Å; L321-F381 HydrophobicContact CD1-CE2 3.99Å; L321-A384 HydrophobicContact CD2-CB 3.8Å; L321-V385 HydrophobicContact CD1-CG2 3.57Å
322V91.8Very high93.3Very high66 Ų6652.8 Ų52.840%0.424%0.242SC..  trans-92.7152.9174.1-57.60000112.5E320 E324 H325E320-V322 PolarHBondContact O-N 3.41Å; V322-E324 WeakPolarHBondContact CB-OE2 3.47Å; V322-E324 HydrophobicContact CG2-CB 4.17Å; V322-E324 WeakPolarHBondContact CG2-OE2 3.4Å; V322-E324 PolarHBondContact O-N 3.3Å; V322-E324 VanDerWaalsContact O-N 3.14Å; V322-H325 WeakPolarHBondContact CG2-CE1 3.38Å; V322-H325 VanDerWaalsContact CG2-ND1 3.35Å; V322-H325 WeakPolarHBondContact CG2-ND1 3.49Å; V322-H325 PolarHBondContact N-ND1 3.31Å; V322-H325 WeakPolarHBondContact O-CB 3.41Å; V322-H325 PolarHBondContact O-N 2.84Å; V322-H325 VanDerWaalsContact O-N 3.17Å; V322-H325 PolarHBondContact O-ND1 3.36Å
323P90.1Very high93.2Very high14 Ų1453.5 Ų53.59%0.09125%0.246CC..G310 helixtrans-54.2-30.2-179.2-25.533.1000114.9M298 L301 S302 H325 F326 A327M298-P323 HydrophobicContact CB-CB 4Å; M298-P323 HydrophobicContact CG-CB 4.13Å; M298-P323 HydrophobicContact SD-CB 4.42Å; L301-P323 HydrophobicContact CD2-CB 4.48Å; S302-P323 WeakPolarHBondContact OG-CG 3.41Å; P323-H325 PolarHBondContact O-N 3.34Å; P323-F326 PolarHBondContact O-N 3.27Å; P323-A327 HydrophobicContact CB-CB 3.86Å; P323-A327 WeakPolarHBondContact O-CA 3.35Å; P323-A327 WeakPolarHBondContact O-CB 3.36Å; P323-A327 PolarHBondContact O-N 3.23Å
324E88.8Confident93.2Very high108 Ų10853.2 Ų53.251%0.50524%0.244SC..G310 helixtrans-56.6-25.3-179.7-66.878.7178.200112.4M298 V322 F326M298-E324 HydrophobicContact SD-CG 3.94Å; V322-E324 WeakPolarHBondContact CB-OE2 3.47Å; V322-E324 HydrophobicContact CG2-CB 4.17Å; V322-E324 WeakPolarHBondContact CG2-OE2 3.4Å; V322-E324 PolarHBondContact O-N 3.3Å; V322-E324 VanDerWaalsContact O-N 3.14Å; E324-F326 VanDerWaalsContact C-N 3.3Å; E324-F326 PolarHBondContact O-N 3.27Å
325H90.3Very high93.2Very high73 Ų7347.5 Ų47.534%0.33822%0.219SC..G310 helixtrans-71.5-18.4177-61.4114.2000114.4L321 V322 P323 F381 Q389L321-H325 HydrophobicContact CD1-CB 4.11Å; V322-H325 WeakPolarHBondContact CG2-CE1 3.38Å; V322-H325 VanDerWaalsContact CG2-ND1 3.35Å; V322-H325 WeakPolarHBondContact CG2-ND1 3.49Å; V322-H325 PolarHBondContact N-ND1 3.31Å; V322-H325 WeakPolarHBondContact O-CB 3.41Å; V322-H325 PolarHBondContact O-N 2.84Å; V322-H325 VanDerWaalsContact O-N 3.17Å; V322-H325 PolarHBondContact O-ND1 3.36Å; P323-H325 PolarHBondContact O-N 3.34Å; H325-F381 AromaticContact CE1-CE2 3.75Å; H325-F381 AromaticContact NE2-CE2 3.97Å; H325-F381 AromaticContact NE2-CZ 3.8Å; H325-Q389 PolarHBondContact O-NE2 3.2Å
326F90.3Very high93Very high9 Ų947 Ų474%0.03922%0.22CC..THydrogen-bonded Turntrans-146.3-39-173.364.7-90.9000114.7L301 F316 L321 P323 E324 F328 R329 W330 L369 V388 Q389L301-F326 HydrophobicContact CD2-CE2 4.24Å; F316-F326 HydrophobicContact CE2-CE1 4.27Å; F316-F326 HydrophobicContact CE2-CZ 4.15Å; L321-F326 HydrophobicContact CD1-CD1 4.37Å; L321-F326 HydrophobicContact CG-CE1 4.26Å; P323-F326 PolarHBondContact O-N 3.27Å; E324-F326 VanDerWaalsContact C-N 3.3Å; E324-F326 PolarHBondContact O-N 3.27Å; F326-F328 VanDerWaalsContact C-N 3.3Å; F326-F328 PolarHBondContact O-N 3.23Å; F326-R329 PolarHBondContact O-N 3.05Å; F326-W330 HydrophobicContact CD2-CD2 4.07Å; F326-W330 AromaticContact CD2-CE3 3.91Å; F326-W330 HydrophobicContact CD2-CE3 3.91Å; F326-W330 HydrophobicContact CD2-CH2 4.05Å; F326-W330 HydrophobicContact CD2-CZ2 4.19Å; F326-W330 AromaticContact CD2-CZ3 3.9Å; F326-W330 HydrophobicContact CD2-CZ3 3.9Å; F326-W330 HydrophobicContact CE2-CE3 4.08Å; F326-W330 HydrophobicContact CE2-CH2 4.23Å; F326-W330 AromaticContact CE2-CZ3 3.83Å; F326-W330 HydrophobicContact CE2-CZ3 3.83Å; F326-L369 HydrophobicContact CE2-CD1 4.17Å; F326-L369 HydrophobicContact CE2-CD2 4.03Å; F326-L369 HydrophobicContact CZ-CD1 4.08Å; F326-L369 HydrophobicContact CZ-CD2 4.2Å; F326-V388 HydrophobicContact CB-CB 4.13Å; F326-V388 HydrophobicContact CB-CG2 3.46Å; F326-V388 VanDerWaalsContact CB-CG2 3.46Å; F326-V388 HydrophobicContact CD1-CG2 3.82Å; F326-V388 HydrophobicContact CD2-CB 4.28Å; F326-V388 HydrophobicContact CD2-CG2 4.33Å; F326-V388 HydrophobicContact CG-CB 4.06Å; F326-V388 HydrophobicContact CG-CG2 3.62Å; F326-Q389 HydrophobicContact CB-CG 4.49Å
327A91.7Very high92.7Very high0 Ų052 Ų520%024%0.238CC..Hα-helixtrans-69.7-23.4-17100000113.4M298 L301 P323 R329 W330 L331M298-A327 HydrophobicContact CG-CB 4.2Å; L301-A327 HydrophobicContact CD2-CB 3.79Å; P323-A327 HydrophobicContact CB-CB 3.86Å; P323-A327 WeakPolarHBondContact O-CA 3.35Å; P323-A327 WeakPolarHBondContact O-CB 3.36Å; P323-A327 PolarHBondContact O-N 3.23Å; A327-R329 VanDerWaalsContact C-N 3.35Å; A327-R329 PolarHBondContact O-N 2.99Å; A327-W330 PolarHBondContact O-N 3.08Å; A327-L331 HydrophobicContact CB-CD1 4.25Å; A327-L331 WeakPolarHBondContact O-CB 3.23Å; A327-L331 WeakPolarHBondContact O-CG 3.28Å; A327-L331 PolarHBondContact O-N 3.16Å
328F89Confident92.5Very high73 Ų7345.7 Ų45.732%0.3221%0.211SC..Hα-helixtrans-56-51177.7-177.2-89000111L294 M298 F326 L331 S332L294-F328 HydrophobicContact CD1-CD2 3.47Å; L294-F328 VanDerWaalsContact CD1-CD2 3.47Å; L294-F328 HydrophobicContact CD1-CE2 3.29Å; L294-F328 HydrophobicContact CD1-CG 4.34Å; L294-F328 HydrophobicContact CD1-CZ 4.02Å; M298-F328 VanDerWaalsContact CE-CA 3.47Å; M298-F328 HydrophobicContact CE-CB 3.65Å; M298-F328 HydrophobicContact CE-CD2 4.01Å; M298-F328 HydrophobicContact CE-CG 4.34Å; F326-F328 VanDerWaalsContact C-N 3.3Å; F326-F328 PolarHBondContact O-N 3.23Å; F328-L331 PolarHBondContact O-N 3.2Å; F328-S332 VanDerWaalsContact O-CB 3.25Å; F328-S332 WeakPolarHBondContact O-CB 3.38Å; F328-S332 PolarHBondContact O-N 2.88Å; F328-S332 PolarHBondContact O-OG 3.38Å
329R89.9Confident92.3Very high89 Ų8938.6 Ų38.634%0.33618%0.18SC..Hα-helixtrans-64.4-42.7178.7-172.2177.471.4-170.41.9111.6F326 A327 L331 S332 L333 E338 Q389F326-R329 PolarHBondContact O-N 3.05Å; A327-R329 VanDerWaalsContact C-N 3.35Å; A327-R329 PolarHBondContact O-N 2.99Å; R329-L331 PolarHBondContact O-N 3.15Å; R329-S332 PolarHBondContact O-OG 3.22Å; R329-L333 HydrophobicContact CG-CD1 3.88Å; R329-L333 HydrophobicContact CG-CG 4.5Å; R329-L333 WeakPolarHBondContact O-CB 3.36Å; R329-L333 PolarHBondContact O-N 3.22Å; R329-L333 VanDerWaalsContact O-N 3.13Å; R329-E338 IonicContact CZ-OE1 3.7Å; R329-E338 IonicContact CZ-OE2 2.72Å; R329-E338 IonicContact NE-OE1 3.6Å; R329-E338 PolarHBondContact NE-OE1 3.01Å; R329-E338 IonicContact NH2-OE1 2.72Å; R329-E338 PolarHBondContact NH2-OE1 3.32Å; R329-E338 IonicContact NH2-OE2 3.3Å; R329-E338 PolarHBondContact NH2-OE2 2.96Å; R329-Q389 PolarHBondContact NH2-O 3.17Å
330W94.3Very high92.1Very high0 Ų044 Ų440%021%0.207CC..Hα-helixtrans-59.4-47.1179.1-70.78.5000112.2F326 A327 L334 L335 E338 C365 M368 L369 V388 Y391F326-W330 HydrophobicContact CD2-CD2 4.07Å; F326-W330 AromaticContact CD2-CE3 3.91Å; F326-W330 HydrophobicContact CD2-CE3 3.91Å; F326-W330 HydrophobicContact CD2-CH2 4.05Å; F326-W330 HydrophobicContact CD2-CZ2 4.19Å; F326-W330 AromaticContact CD2-CZ3 3.9Å; F326-W330 HydrophobicContact CD2-CZ3 3.9Å; F326-W330 HydrophobicContact CE2-CE3 4.08Å; F326-W330 HydrophobicContact CE2-CH2 4.23Å; F326-W330 AromaticContact CE2-CZ3 3.83Å; F326-W330 HydrophobicContact CE2-CZ3 3.83Å; A327-W330 PolarHBondContact O-N 3.08Å; W330-L334 PolarHBondContact O-N 3.19Å; W330-L335 HydrophobicContact CB-CD2 3.53Å; W330-L335 HydrophobicContact CB-CG 4.49Å; W330-L335 HydrophobicContact CD2-CD2 3.92Å; W330-L335 HydrophobicContact CE3-CD2 4.33Å; W330-L335 HydrophobicContact CG-CD2 3.59Å; W330-L335 PolarHBondContact O-N 3.49Å; W330-E338 VanDerWaalsContact CD1-CG 3.48Å; W330-E338 HydrophobicContact CG-CG 4.32Å; W330-E338 PolarHBondContact NE1-OE1 2.79Å; W330-E338 PolarHBondContact NE1-OE2 3.07Å; W330-C365 HydrophobicContact CE3-CB 3.87Å; W330-C365 HydrophobicContact CZ3-CB 4.16Å; W330-M368 HydrophobicContact CD2-CE 4.37Å; W330-M368 HydrophobicContact CE3-CE 4.4Å; W330-M368 HydrophobicContact CH2-CB 4.33Å; W330-M368 HydrophobicContact CH2-CE 3.84Å; W330-M368 HydrophobicContact CZ2-CE 3.79Å; W330-M368 HydrophobicContact CZ3-CB 4.33Å; W330-M368 HydrophobicContact CZ3-CE 4.15Å; W330-M368 HydrophobicContact CZ3-SD 4.42Å; W330-L369 HydrophobicContact CH2-CD2 3.83Å; W330-L369 HydrophobicContact CH2-CG 4.35Å; W330-L369 HydrophobicContact CZ3-CD2 4.07Å; W330-L369 HydrophobicContact CZ3-CG 4.16Å; W330-V388 HydrophobicContact CH2-CB 4.4Å; W330-V388 HydrophobicContact CZ2-CB 4.12Å; W330-V388 WeakPolarHBondContact CZ2-O 3.25Å; W330-V388 PolarHBondContact NE1-O 3.21Å; W330-Y391 HydrophobicContact CH2-CD2 4.41Å; W330-Y391 HydrophobicContact CZ2-CD2 4.23Å
331L92.5Very high92Very high0 Ų037.9 Ų37.90%018%0.178CC..Hα-helixtrans-78.1-45.7-175-63.4172.8000112L294 Q297 M298 A327 F328 R329 L333 L334 L361L294-L331 HydrophobicContact CD2-CB 3.51Å; L294-L331 HydrophobicContact CD2-CD1 4.23Å; Q297-L331 HydrophobicContact CB-CD1 3.73Å; M298-L331 HydrophobicContact CG-CD1 3.91Å; A327-L331 HydrophobicContact CB-CD1 4.25Å; A327-L331 WeakPolarHBondContact O-CB 3.23Å; A327-L331 WeakPolarHBondContact O-CG 3.28Å; A327-L331 PolarHBondContact O-N 3.16Å; F328-L331 PolarHBondContact O-N 3.2Å; R329-L331 PolarHBondContact O-N 3.15Å; L331-L333 VanDerWaalsContact C-N 3.35Å; L331-L333 PolarHBondContact O-N 3.19Å; L331-L334 PolarHBondContact O-N 3.06Å; L331-L361 HydrophobicContact CD2-CD2 3.89Å; L331-L361 HydrophobicContact CD2-CG 3.85Å
332S90.7Very high91.9Very high5 Ų542 Ų424%0.03521%0.205CC..Hα-helixtrans-64.3-37.6-179.855.60000113F328 R329F328-S332 VanDerWaalsContact O-CB 3.25Å; F328-S332 WeakPolarHBondContact O-CB 3.38Å; F328-S332 PolarHBondContact O-N 2.88Å; F328-S332 PolarHBondContact O-OG 3.38Å; R329-S332 PolarHBondContact O-OG 3.22Å
333L94Very high92Very high15 Ų1541.4 Ų41.48%0.07920%0.2CC..THydrogen-bonded Turntrans-100.611.5-176.1-53.5-175.3000113.5G239 E242 F282 R329 L331 L335 A336 R337G239-L333 WeakPolarHBondContact O-CD2 3.02Å; E242-L333 HydrophobicContact CB-CD2 4.49Å; E242-L333 HydrophobicContact CG-CD1 4.27Å; F282-L333 HydrophobicContact CE1-CD2 4.37Å; R329-L333 HydrophobicContact CG-CD1 3.88Å; R329-L333 HydrophobicContact CG-CG 4.5Å; R329-L333 WeakPolarHBondContact O-CB 3.36Å; R329-L333 PolarHBondContact O-N 3.22Å; R329-L333 VanDerWaalsContact O-N 3.13Å; L331-L333 VanDerWaalsContact C-N 3.35Å; L331-L333 PolarHBondContact O-N 3.19Å; L333-L335 PolarHBondContact O-N 2.72Å; L333-L335 VanDerWaalsContact O-N 3.11Å; L333-A336 WeakPolarHBondContact O-CB 3.39Å; L333-A336 PolarHBondContact O-N 2.71Å; L333-R337 HydrophobicContact CD1-CB 4.45Å; L333-R337 HydrophobicContact CD1-CG 3.68Å
334L96Very high92.3Very high0 Ų040.9 Ų40.90%020%0.196CC..THydrogen-bonded Turntrans48.741.9-178.4-51.7-179.6000112.1I243 I278 W330 L331 A336 L347 W348 L351 F358 L361I243-L334 HydrophobicContact CD1-CB 4.41Å; I243-L334 HydrophobicContact CD1-CD1 4.25Å; I243-L334 HydrophobicContact CD1-CG 4.07Å; I278-L334 HydrophobicContact CD1-CD1 4.22Å; W330-L334 PolarHBondContact O-N 3.19Å; L331-L334 PolarHBondContact O-N 3.06Å; L334-A336 PolarHBondContact O-N 3.09Å; L334-A336 VanDerWaalsContact O-N 3.13Å; L334-L347 WeakPolarHBondContact O-CD2 3.48Å; L334-W348 HydrophobicContact CB-CZ2 3.98Å; L334-W348 HydrophobicContact CD1-CZ2 4.17Å; L334-W348 PolarHBondContact O-NE1 3.16Å; L334-L351 HydrophobicContact CB-CD1 4.5Å; L334-F358 HydrophobicContact CD1-CD1 4.31Å; L334-F358 HydrophobicContact CD1-CE1 3.69Å; L334-F358 HydrophobicContact CD1-CZ 4.35Å; L334-F358 HydrophobicContact CD2-CD1 3.68Å; L334-F358 HydrophobicContact CD2-CE1 3.94Å; L334-F358 HydrophobicContact CD2-CG 4.47Å; L334-F358 HydrophobicContact CG-CE1 4.48Å; L334-L361 HydrophobicContact CD2-CD2 3.67Å
335L95.7Very high92.6Very high0 Ų036 Ų360%017%0.174CC..THydrogen-bonded Turntrans60.212.9-178-59.8162.1000115.9W330 L333 R337 E338 F339 L347 L361 V364 M368W330-L335 HydrophobicContact CB-CD2 3.53Å; W330-L335 HydrophobicContact CB-CG 4.49Å; W330-L335 HydrophobicContact CD2-CD2 3.92Å; W330-L335 HydrophobicContact CE3-CD2 4.33Å; W330-L335 HydrophobicContact CG-CD2 3.59Å; W330-L335 PolarHBondContact O-N 3.49Å; L333-L335 PolarHBondContact O-N 2.72Å; L333-L335 VanDerWaalsContact O-N 3.11Å; L335-R337 PolarHBondContact O-N 2.72Å; L335-E338 HydrophobicContact CD2-CG 3.95Å; L335-E338 PolarHBondContact O-N 3.3Å; L335-F339 HydrophobicContact CB-CD2 4.06Å; L335-F339 HydrophobicContact CB-CE2 4.1Å; L335-F339 HydrophobicContact CD1-CE2 4.32Å; L335-L347 HydrophobicContact CB-CD2 3.65Å; L335-L347 HydrophobicContact CD1-CD1 4.31Å; L335-L347 HydrophobicContact CD1-CD2 3.8Å; L335-L347 HydrophobicContact CG-CD2 4.28Å; L335-L361 HydrophobicContact CD1-CD1 3.8Å; L335-L361 HydrophobicContact CG-CD1 4.16Å; L335-V364 HydrophobicContact CD1-CB 4.41Å; L335-V364 HydrophobicContact CD1-CG1 3.63Å; L335-M368 HydrophobicContact CD1-SD 3.68Å; L335-M368 HydrophobicContact CD2-CE 3.85Å; L335-M368 HydrophobicContact CD2-SD 3.56Å; L335-M368 VanDerWaalsContact CD2-SD 3.56Å; L335-M368 HydrophobicContact CG-SD 4.26Å
336A93.5Very high92.9Very high16 Ų1634 Ų3413%0.13217%0.166CC..THydrogen-bonded Turntrans-60.5-18.7-177.700000114.7L333 L334 V344 W348L333-A336 WeakPolarHBondContact O-CB 3.39Å; L333-A336 PolarHBondContact O-N 2.71Å; L334-A336 PolarHBondContact O-N 3.09Å; L334-A336 VanDerWaalsContact O-N 3.13Å; A336-V344 HydrophobicContact CB-CG1 4.12Å; A336-W348 HydrophobicContact CB-CZ2 4.15Å
337R90.8Very high93.2Very high116 Ų11633.6 Ų33.644%0.43816%0.164SC..THydrogen-bonded Turntrans-92.6-14.4177.2-80.2-66.4-167.1167.6-2.1114.7E242 L333 L335E242-R337 HydrophobicContact CG-CG 4.49Å; E242-R337 IonicContact OE1-CZ 3.16Å; E242-R337 IonicContact OE1-NE 2.69Å; E242-R337 PolarHBondContact OE1-NE 2.87Å; E242-R337 IonicContact OE1-NH2 3.32Å; E242-R337 PolarHBondContact OE1-NH2 3.2Å; E242-R337 IonicContact OE2-CZ 3.57Å; E242-R337 IonicContact OE2-NE 3.15Å; E242-R337 PolarHBondContact OE2-NE 3.46Å; E242-R337 IonicContact OE2-NH2 3.06Å; L333-R337 HydrophobicContact CD1-CB 4.45Å; L333-R337 HydrophobicContact CD1-CG 3.68Å; L335-R337 PolarHBondContact O-N 2.72Å
338E91.6Very high93.5Very high20 Ų2033.6 Ų33.69%0.09316%0.164CC..THydrogen-bonded Turntrans-94.6-21.6-175.1-48.8-51.414300112.6R329 W330 L335 M368R329-E338 IonicContact CZ-OE1 3.7Å; R329-E338 IonicContact CZ-OE2 2.72Å; R329-E338 IonicContact NE-OE1 3.6Å; R329-E338 PolarHBondContact NE-OE1 3.01Å; R329-E338 IonicContact NH2-OE1 2.72Å; R329-E338 PolarHBondContact NH2-OE1 3.32Å; R329-E338 IonicContact NH2-OE2 3.3Å; R329-E338 PolarHBondContact NH2-OE2 2.96Å; W330-E338 VanDerWaalsContact CD1-CG 3.48Å; W330-E338 HydrophobicContact CG-CG 4.32Å; W330-E338 PolarHBondContact NE1-OE1 2.79Å; W330-E338 PolarHBondContact NE1-OE2 3.07Å; L335-E338 HydrophobicContact CD2-CG 3.95Å; L335-E338 PolarHBondContact O-N 3.3Å; E338-M368 HydrophobicContact CB-CE 4.42Å
339F92.7Very high93.9Very high23 Ų2330.1 Ų30.110%0.10115%0.149CC..SBendtrans-125.2156.8-175-61-73.7000111.5L335 D343 V344 M368 Y391 V397 I400L335-F339 HydrophobicContact CB-CD2 4.06Å; L335-F339 HydrophobicContact CB-CE2 4.1Å; L335-F339 HydrophobicContact CD1-CE2 4.32Å; F339-D343 HydrophobicContact CB-CB 3.85Å; F339-D343 HydrophobicContact CG-CB 4.46Å; F339-V344 HydrophobicContact CB-CG2 3.96Å; F339-V344 WeakPolarHBondContact O-CG2 3.41Å; F339-M368 HydrophobicContact CE2-CE 3.78Å; F339-M368 HydrophobicContact CE2-SD 3.84Å; F339-M368 HydrophobicContact CZ-CE 3.66Å; F339-M368 HydrophobicContact CZ-CG 4.26Å; F339-M368 HydrophobicContact CZ-SD 3.89Å; F339-Y391 HydrophobicContact CE1-CD1 4.01Å; F339-Y391 HydrophobicContact CE1-CE1 4.2Å; F339-Y391 HydrophobicContact CZ-CD1 4.14Å; F339-Y391 HydrophobicContact CZ-CE1 4.24Å; F339-V397 HydrophobicContact CD1-CG2 3.46Å; F339-V397 VanDerWaalsContact CD1-CG2 3.46Å; F339-V397 HydrophobicContact CE1-CG2 3.55Å; F339-V397 HydrophobicContact CG-CG2 4.1Å; F339-V397 HydrophobicContact CZ-CG2 4.24Å; F339-I400 HydrophobicContact CE1-CD1 4.13Å; F339-I400 HydrophobicContact CZ-CD1 3.91Å
340M91.9Very high94.2Very high139 Ų13926 Ų2669%0.68513%0.133SC*.  trans-69.2156.4172.5-64.7-174.769.600110.4P342 D343 V344M340-P342 VanDerWaalsContact C-CD 3.47Å; M340-D343 WeakPolarHBondContact O-CB 3.32Å; M340-D343 PolarHBondContact O-N 2.92Å; M340-V344 WeakPolarHBondContact O-CG2 2.84Å; M340-V344 PolarHBondContact O-N 3.08Å
341L92.1Very high94.4Very high24 Ų2426 Ų2613%0.12613%0.133CC..Hα-helixtrans-49.6-47.3-174.9-179.161.2000114.2F124 P246 Y249 D343 V344 L345F124-L341 HydrophobicContact CD1-CD2 3.94Å; F124-L341 HydrophobicContact CE1-CD2 3.45Å; F124-L341 VanDerWaalsContact CE1-CD2 3.45Å; F124-L341 HydrophobicContact CZ-CD2 4.11Å; P246-L341 HydrophobicContact CB-CD1 3.81Å; P246-L341 HydrophobicContact CG-CD1 4Å; Y249-L341 HydrophobicContact CD1-CD2 3.58Å; Y249-L341 HydrophobicContact CD1-CG 4.2Å; Y249-L341 HydrophobicContact CD2-CD2 3.97Å; Y249-L341 HydrophobicContact CE1-CD2 3.81Å; Y249-L341 HydrophobicContact CE1-CG 4.4Å; Y249-L341 HydrophobicContact CE2-CD2 4.2Å; Y249-L341 HydrophobicContact CG-CD2 3.65Å; L341-D343 VanDerWaalsContact C-N 3.27Å; L341-D343 PolarHBondContact O-N 3.35Å; L341-V344 WeakPolarHBondContact O-CB 3.32Å; L341-V344 PolarHBondContact O-N 3.38Å; L341-V344 VanDerWaalsContact O-N 3.09Å; L341-L345 HydrophobicContact CD1-CD2 3.95Å; L341-L345 HydrophobicContact CD1-CG 4.28Å; L341-L345 HydrophobicContact CG-CG 4.44Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 2.95Å; L341-L345 PolarHBondContact O-N 3.33Å
342P92Very high94.6Very high91 Ų9126 Ų2659%0.59113%0.133SC*.Hα-helixtrans-56.5-40.1179.1-25.235.8000113.6M340 L345 L346M340-P342 VanDerWaalsContact C-CD 3.47Å; P342-L345 WeakPolarHBondContact O-CB 3.24Å; P342-L345 PolarHBondContact O-N 3.38Å; P342-L346 PolarHBondContact O-N 3.33Å; P342-L346 VanDerWaalsContact O-N 3.12Å
343D94.4Very high94.9Very high55 Ų5525.8 Ų25.829%0.29413%0.132SC..Hα-helixtrans-72-36.4177.9-70.1-32.3000111.9F339 M340 L341 L345 L346 L347 V397F339-D343 HydrophobicContact CB-CB 3.85Å; F339-D343 HydrophobicContact CG-CB 4.46Å; M340-D343 WeakPolarHBondContact O-CB 3.32Å; M340-D343 PolarHBondContact O-N 2.92Å; L341-D343 VanDerWaalsContact C-N 3.27Å; L341-D343 PolarHBondContact O-N 3.35Å; D343-L345 VanDerWaalsContact C-N 3.31Å; D343-L345 PolarHBondContact O-N 3.03Å; D343-L346 PolarHBondContact O-N 3.08Å; D343-L347 WeakPolarHBondContact O-CB 3.47Å; D343-L347 PolarHBondContact O-N 3.37Å; D343-V397 HydrophobicContact CB-CB 4.34Å; D343-V397 HydrophobicContact CB-CG2 3.71Å
344V95.5Very high94.9Very high2 Ų225.3 Ų25.31%0.01213%0.129CC..Hα-helixtrans-61.5-41.4171.8177.30000110.4P246 A336 F339 M340 L341 L346 L347 W348P246-V344 HydrophobicContact CB-CG1 4.44Å; P246-V344 HydrophobicContact CG-CG1 4.11Å; A336-V344 HydrophobicContact CB-CG1 4.12Å; F339-V344 HydrophobicContact CB-CG2 3.96Å; F339-V344 WeakPolarHBondContact O-CG2 3.41Å; M340-V344 WeakPolarHBondContact O-CG2 2.84Å; M340-V344 PolarHBondContact O-N 3.08Å; L341-V344 WeakPolarHBondContact O-CB 3.32Å; L341-V344 PolarHBondContact O-N 3.38Å; L341-V344 VanDerWaalsContact O-N 3.09Å; V344-L346 PolarHBondContact O-N 2.98Å; V344-L347 PolarHBondContact O-N 3.19Å; V344-W348 HydrophobicContact CG1-CD2 4.15Å; V344-W348 HydrophobicContact CG1-CG 4.35Å; V344-W348 HydrophobicContact CG1-CZ2 4.13Å; V344-W348 WeakPolarHBondContact O-CB 3.42Å; V344-W348 VanDerWaalsContact O-CD1 3.3Å; V344-W348 VanDerWaalsContact O-CG 3.3Å; V344-W348 PolarHBondContact O-N 2.99Å
345L96Very high94.7Very high7 Ų729.2 Ų29.24%0.03715%0.154CC..Hα-helixtrans-61.9-44.6176.4-59.9-170.9000111.5W44 P246 Y249 V250 L341 P342 D343 W348 D349W44-L345 HydrophobicContact CH2-CD2 3.55Å; W44-L345 HydrophobicContact CZ2-CD2 4.12Å; W44-L345 HydrophobicContact CZ3-CD2 4.34Å; P246-L345 HydrophobicContact CB-CD2 3.98Å; Y249-L345 HydrophobicContact CD1-CD1 4.1Å; Y249-L345 HydrophobicContact CE1-CD1 3.97Å; V250-L345 HydrophobicContact CG2-CD1 3.83Å; V250-L345 HydrophobicContact CG2-CD2 3.48Å; V250-L345 VanDerWaalsContact CG2-CD2 3.48Å; V250-L345 HydrophobicContact CG2-CG 4.26Å; L341-L345 HydrophobicContact CD1-CD2 3.95Å; L341-L345 HydrophobicContact CD1-CG 4.28Å; L341-L345 HydrophobicContact CG-CG 4.44Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 2.95Å; L341-L345 PolarHBondContact O-N 3.33Å; P342-L345 WeakPolarHBondContact O-CB 3.24Å; P342-L345 PolarHBondContact O-N 3.38Å; D343-L345 VanDerWaalsContact C-N 3.31Å; D343-L345 PolarHBondContact O-N 3.03Å; L345-W348 PolarHBondContact O-N 3.15Å; L345-D349 PolarHBondContact O-N 2.97Å
346L96.4Very high94.5Very high31 Ų3133.3 Ų33.316%0.16217%0.174CC..Hα-helixtrans-63.2-43.8176.4173.261.5000112.2P342 D343 V344 W348 D349 T350 V397 M398 L401P342-L346 PolarHBondContact O-N 3.33Å; P342-L346 VanDerWaalsContact O-N 3.12Å; D343-L346 PolarHBondContact O-N 3.08Å; V344-L346 PolarHBondContact O-N 2.98Å; L346-W348 VanDerWaalsContact C-N 3.29Å; L346-W348 PolarHBondContact O-N 3.36Å; L346-D349 WeakPolarHBondContact O-CB 3.19Å; L346-D349 PolarHBondContact O-N 2.7Å; L346-T350 PolarHBondContact O-N 2.82Å; L346-T350 PolarHBondContact O-OG1 2.85Å; L346-V397 HydrophobicContact CD2-CG1 4.46Å; L346-M398 HydrophobicContact CD1-CE 3.72Å; L346-M398 HydrophobicContact CD2-CE 3.93Å; L346-M398 HydrophobicContact CG-CE 4.35Å; L346-L401 HydrophobicContact CG-CD1 4.07Å
347L97Very high94.4Very high0 Ų034.1 Ų34.10%017%0.173CC..Hα-helixtrans-58.3-46175.5-177.280.4000110.4L334 L335 D343 V344 T350 L351 V364 V397 L401L334-L347 WeakPolarHBondContact O-CD2 3.48Å; L335-L347 HydrophobicContact CB-CD2 3.65Å; L335-L347 HydrophobicContact CD1-CD1 4.31Å; L335-L347 HydrophobicContact CD1-CD2 3.8Å; L335-L347 HydrophobicContact CG-CD2 4.28Å; D343-L347 WeakPolarHBondContact O-CB 3.47Å; D343-L347 PolarHBondContact O-N 3.37Å; V344-L347 PolarHBondContact O-N 3.19Å; L347-T350 WeakPolarHBondContact O-CB 3.22Å; L347-T350 PolarHBondContact O-N 3.25Å; L347-T350 VanDerWaalsContact O-N 3.16Å; L347-L351 HydrophobicContact CD2-CD1 4.18Å; L347-L351 HydrophobicContact CG-CD1 4.03Å; L347-L351 HydrophobicContact CG-CG 4.41Å; L347-L351 WeakPolarHBondContact O-CG 3.5Å; L347-L351 PolarHBondContact O-N 3.25Å; L347-V364 HydrophobicContact CD1-CG1 3.72Å; L347-V397 HydrophobicContact CB-CG1 4.49Å; L347-L401 HydrophobicContact CD1-CD2 3.63Å; L347-L401 HydrophobicContact CD1-CG 4.33Å
348W98Very high94.4Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-74.1-32.1-177.4-73.420.2000113W44 I243 P246 I247 L334 A336 V344 L345 L346 T350 L351 F352W44-W348 HydrophobicContact CH2-CB 3.97Å; W44-W348 HydrophobicContact CH2-CD2 4.36Å; W44-W348 AromaticContact CH2-CE3 3.61Å; W44-W348 HydrophobicContact CH2-CE3 3.61Å; W44-W348 HydrophobicContact CH2-CZ3 4.44Å; W44-W348 HydrophobicContact CZ2-CB 3.68Å; W44-W348 HydrophobicContact CZ2-CE3 4.42Å; W44-W348 AromaticContact CZ3-CE3 3.94Å; W44-W348 HydrophobicContact CZ3-CE3 3.94Å; W44-W348 HydrophobicContact CZ3-CZ3 4.44Å; I243-W348 HydrophobicContact CD1-CH2 4.26Å; I243-W348 HydrophobicContact CD1-CZ2 4.1Å; I243-W348 HydrophobicContact CG2-CH2 4.33Å; I243-W348 VanDerWaalsContact O-CH2 3.22Å; I243-W348 WeakPolarHBondContact O-CH2 3.47Å; I243-W348 WeakPolarHBondContact O-CZ3 3.31Å; P246-W348 HydrophobicContact CB-CE3 4.18Å; P246-W348 HydrophobicContact CB-CH2 4.05Å; P246-W348 HydrophobicContact CB-CZ3 3.72Å; P246-W348 HydrophobicContact CG-CH2 3.77Å; P246-W348 HydrophobicContact CG-CZ2 4.34Å; P246-W348 HydrophobicContact CG-CZ3 3.99Å; I247-W348 HydrophobicContact CD1-CZ3 4.45Å; I247-W348 HydrophobicContact CG1-CZ3 3.85Å; L334-W348 HydrophobicContact CB-CZ2 3.98Å; L334-W348 HydrophobicContact CD1-CZ2 4.17Å; L334-W348 PolarHBondContact O-NE1 3.16Å; A336-W348 HydrophobicContact CB-CZ2 4.15Å; V344-W348 HydrophobicContact CG1-CD2 4.15Å; V344-W348 HydrophobicContact CG1-CG 4.35Å; V344-W348 HydrophobicContact CG1-CZ2 4.13Å; V344-W348 WeakPolarHBondContact O-CB 3.42Å; V344-W348 VanDerWaalsContact O-CD1 3.3Å; V344-W348 VanDerWaalsContact O-CG 3.3Å; V344-W348 PolarHBondContact O-N 2.99Å; L345-W348 PolarHBondContact O-N 3.15Å; L346-W348 VanDerWaalsContact C-N 3.29Å; L346-W348 PolarHBondContact O-N 3.36Å; W348-T350 PolarHBondContact O-N 2.94Å; W348-L351 PolarHBondContact O-N 2.79Å; W348-F352 HydrophobicContact CB-CD2 4.25Å; W348-F352 HydrophobicContact CB-CE2 3.88Å; W348-F352 HydrophobicContact CB-CZ 4.1Å; W348-F352 HydrophobicContact CD2-CE2 4.4Å; W348-F352 AromaticContact CD2-CZ 3.96Å; W348-F352 HydrophobicContact CD2-CZ 3.96Å; W348-F352 AromaticContact CE3-CE2 3.86Å; W348-F352 HydrophobicContact CE3-CE2 3.86Å; W348-F352 AromaticContact CE3-CZ 3.53Å; W348-F352 HydrophobicContact CE3-CZ 3.53Å; W348-F352 HydrophobicContact CG-CE2 4.46Å; W348-F352 HydrophobicContact CG-CZ 4.23Å; W348-F352 HydrophobicContact CZ3-CZ 4.26Å; W348-F352 VanDerWaalsContact O-CB 3.25Å; W348-F352 WeakPolarHBondContact O-CB 3.49Å; W348-F352 VanDerWaalsContact O-CD2 3.31Å; W348-F352 WeakPolarHBondContact O-CD2 3.26Å; W348-F352 WeakPolarHBondContact O-CG 3.42Å; W348-F352 PolarHBondContact O-N 2.87Å
349D97.2Very high94.4Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-51.6-44.2166.5-72.9-30.8000110.1C33 R40 W44 L345 L346 S353C33-D349 WeakPolarHBondContact CB-OD2 3.31Å; C33-D349 PolarHBondContact N-OD2 3.35Å; C33-D349 VanDerWaalsContact SG-CG 3.58Å; C33-D349 PolarHBondContact SG-OD1 2.89Å; R40-D349 WeakPolarHBondContact CD-OD1 3.48Å; R40-D349 WeakPolarHBondContact CG-OD1 3.43Å; R40-D349 IonicContact CZ-OD2 3.94Å; R40-D349 IonicContact NE-OD1 2.99Å; R40-D349 PolarHBondContact NE-OD1 3.25Å; R40-D349 IonicContact NE-OD2 3.4Å; R40-D349 PolarHBondContact NE-OD2 2.87Å; R40-D349 IonicContact NH2-OD2 3.23Å; R40-D349 PolarHBondContact NH2-OD2 3.31Å; W44-D349 PolarHBondContact NE1-OD1 2.88Å; L345-D349 PolarHBondContact O-N 2.97Å; L346-D349 WeakPolarHBondContact O-CB 3.19Å; L346-D349 PolarHBondContact O-N 2.7Å; D349-S353 WeakPolarHBondContact O-CB 3.3Å; D349-S353 PolarHBondContact O-N 2.79Å; D349-S353 PolarHBondContact O-OG 3.26Å
350T97Very high94.5Very high1 Ų132 Ų321%0.00617%0.171CC..Hα-helixtrans-71.1-50.7178.8-50.70000112.1I30 L346 L347 W348 F352 S353 D354 L360 L401I30-T350 HydrophobicContact CG1-CG2 4.05Å; I30-T350 WeakPolarHBondContact O-CG2 3.46Å; I30-T350 PolarHBondContact O-OG1 3.17Å; L346-T350 PolarHBondContact O-N 2.82Å; L346-T350 PolarHBondContact O-OG1 2.85Å; L347-T350 WeakPolarHBondContact O-CB 3.22Å; L347-T350 PolarHBondContact O-N 3.25Å; L347-T350 VanDerWaalsContact O-N 3.16Å; W348-T350 PolarHBondContact O-N 2.94Å; T350-F352 PolarHBondContact O-N 3Å; T350-S353 PolarHBondContact O-N 2.92Å; T350-S353 VanDerWaalsContact O-N 3.16Å; T350-D354 PolarHBondContact O-N 2.99Å; T350-L360 HydrophobicContact CG2-CD2 3.9Å; T350-L401 HydrophobicContact CG2-CD2 3.91Å; T350-L401 WeakPolarHBondContact OG1-CD1 3.37Å
351L97Very high94.7Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-62.5-40.6-177.5-67.4175.3000112.3L334 L347 W348 S353 F358 L360 L361L334-L351 HydrophobicContact CB-CD1 4.5Å; L347-L351 HydrophobicContact CD2-CD1 4.18Å; L347-L351 HydrophobicContact CG-CD1 4.03Å; L347-L351 HydrophobicContact CG-CG 4.41Å; L347-L351 WeakPolarHBondContact O-CG 3.5Å; L347-L351 PolarHBondContact O-N 3.25Å; W348-L351 PolarHBondContact O-N 2.79Å; L351-S353 VanDerWaalsContact C-N 3.31Å; L351-F358 HydrophobicContact CB-CD1 4.5Å; L351-F358 HydrophobicContact CB-CE1 4.39Å; L351-L360 HydrophobicContact CD2-CB 4.35Å; L351-L360 HydrophobicContact CD2-CD2 4.46Å; L351-L360 HydrophobicContact CD2-CG 4.5Å; L351-L361 HydrophobicContact CD1-CD1 4.15Å; L351-L361 HydrophobicContact CD2-CB 4.26Å; L351-L361 HydrophobicContact CD2-CD1 4.42Å
352F97.5Very high94.8Very high0 Ų024.3 Ų24.30%013%0.133CC..Hα-helixtrans-72.5-28.4177.4-61.4-22.4000112.1W44 L47 L48 L274 W348 T350 R357 F358W44-F352 HydrophobicContact CD2-CD2 4.14Å; W44-F352 AromaticContact CD2-CE2 3.92Å; W44-F352 HydrophobicContact CD2-CE2 3.92Å; W44-F352 AromaticContact CE2-CD2 4Å; W44-F352 AromaticContact CE2-CE2 3.93Å; W44-F352 HydrophobicContact CE3-CE2 4.06Å; W44-F352 HydrophobicContact CG-CD2 4.3Å; W44-F352 HydrophobicContact CG-CE2 4.47Å; W44-F352 HydrophobicContact CH2-CE2 4.23Å; W44-F352 HydrophobicContact CZ2-CD2 4.46Å; W44-F352 HydrophobicContact CZ2-CE2 4.11Å; W44-F352 HydrophobicContact CZ3-CE2 4.21Å; L47-F352 HydrophobicContact CB-CB 3.95Å; L47-F352 HydrophobicContact CD1-CB 3.75Å; L47-F352 HydrophobicContact CG-CB 4.48Å; L48-F352 HydrophobicContact CD1-CE2 4.16Å; L48-F352 HydrophobicContact CD1-CZ 4.48Å; L48-F352 HydrophobicContact CD2-CD1 4.09Å; L48-F352 HydrophobicContact CD2-CD2 4.22Å; L48-F352 HydrophobicContact CD2-CE1 3.97Å; L48-F352 HydrophobicContact CD2-CE2 4.09Å; L48-F352 HydrophobicContact CD2-CG 4.22Å; L48-F352 HydrophobicContact CD2-CZ 3.97Å; L48-F352 HydrophobicContact CG-CD2 4.45Å; L48-F352 HydrophobicContact CG-CE2 4.37Å; L274-F352 HydrophobicContact CD1-CE1 3.92Å; L274-F352 HydrophobicContact CD2-CE1 4.44Å; L274-F352 HydrophobicContact CD2-CZ 4.25Å; W348-F352 HydrophobicContact CB-CD2 4.25Å; W348-F352 HydrophobicContact CB-CE2 3.88Å; W348-F352 HydrophobicContact CB-CZ 4.1Å; W348-F352 HydrophobicContact CD2-CE2 4.4Å; W348-F352 AromaticContact CD2-CZ 3.96Å; W348-F352 HydrophobicContact CD2-CZ 3.96Å; W348-F352 AromaticContact CE3-CE2 3.86Å; W348-F352 HydrophobicContact CE3-CE2 3.86Å; W348-F352 AromaticContact CE3-CZ 3.53Å; W348-F352 HydrophobicContact CE3-CZ 3.53Å; W348-F352 HydrophobicContact CG-CE2 4.46Å; W348-F352 HydrophobicContact CG-CZ 4.23Å; W348-F352 HydrophobicContact CZ3-CZ 4.26Å; W348-F352 VanDerWaalsContact O-CB 3.25Å; W348-F352 WeakPolarHBondContact O-CB 3.49Å; W348-F352 VanDerWaalsContact O-CD2 3.31Å; W348-F352 WeakPolarHBondContact O-CD2 3.26Å; W348-F352 WeakPolarHBondContact O-CG 3.42Å; W348-F352 PolarHBondContact O-N 2.87Å; T350-F352 PolarHBondContact O-N 3Å; F352-R357 PolarHBondContact O-NH1 2.86Å; F352-F358 HydrophobicContact CD1-CE1 4.24Å; F352-F358 HydrophobicContact CD1-CZ 4.16Å; F352-F358 HydrophobicContact CE1-CE1 4.07Å; F352-F358 HydrophobicContact CE1-CZ 4.01Å
353S96.1Very high95Very high1 Ų120 Ų201%0.00711%0.105CC..Hα-helixtrans-82.7-19.3179-60.50000113.6K26 S29 L47 D349 T350 L351K26-S353 VanDerWaalsContact CB-O 3.31Å; K26-S353 WeakPolarHBondContact CB-O 3.48Å; K26-S353 WeakPolarHBondContact CG-O 3.36Å; K26-S353 WeakPolarHBondContact O-CB 3.47Å; S29-S353 WeakPolarHBondContact CB-OG 3.38Å; L47-S353 WeakPolarHBondContact CD1-OG 3.5Å; D349-S353 WeakPolarHBondContact O-CB 3.3Å; D349-S353 PolarHBondContact O-N 2.79Å; D349-S353 PolarHBondContact O-OG 3.26Å; T350-S353 PolarHBondContact O-N 2.92Å; T350-S353 VanDerWaalsContact O-N 3.16Å; L351-S353 VanDerWaalsContact C-N 3.31Å
354D95Very high95.2Very high6 Ų617.4 Ų17.43%0.0329%0.091CC..SBendtrans-62.7133.1-179.1-171.977.4000111.3T350 H356 R357 L360T350-D354 PolarHBondContact O-N 2.99Å; D354-H356 PolarHBondContact O-N 3.03Å; D354-H356 VanDerWaalsContact O-N 3.12Å; D354-H356 VanDerWaalsContact OD2-CA 3.23Å; D354-H356 WeakPolarHBondContact OD2-CA 3.13Å; D354-H356 WeakPolarHBondContact OD2-CB 3.4Å; D354-H356 PolarHBondContact OD2-N 3.06Å; D354-R357 PolarHBondContact O-N 3.21Å; D354-R357 PolarHBondContact OD2-N 3.47Å; D354-R357 VanDerWaalsContact OD2-N 3.1Å; D354-L360 HydrophobicContact CB-CB 4.47Å; D354-L360 HydrophobicContact CB-CD2 4.19Å
355P90.5Very high95.2Very high81 Ų8117.3 Ų17.353%0.5269%0.091SC..THydrogen-bonded Turntrans-57.3-26.9177.8-26.335.2000113.9
356H91.4Very high95.3Very high87 Ų8717 Ų1740%0.4039%0.089SC..THydrogen-bonded Turntrans-110.915178.4-55.2-67000112.7D354 F358 N359 Y408D354-H356 PolarHBondContact O-N 3.03Å; D354-H356 VanDerWaalsContact O-N 3.12Å; D354-H356 VanDerWaalsContact OD2-CA 3.23Å; D354-H356 WeakPolarHBondContact OD2-CA 3.13Å; D354-H356 WeakPolarHBondContact OD2-CB 3.4Å; D354-H356 PolarHBondContact OD2-N 3.06Å; H356-F358 PolarHBondContact O-N 2.96Å; H356-N359 HydrophobicContact CB-CB 3.95Å; H356-N359 VanDerWaalsContact O-CB 3.3Å; H356-N359 WeakPolarHBondContact O-CB 3.31Å; H356-N359 PolarHBondContact O-N 2.86Å; H356-N359 VanDerWaalsContact O-N 3.1Å; H356-Y408 WeakPolarHBondContact CB-OH 3.46Å; H356-Y408 AromaticContact CD2-CE1 3.99Å; H356-Y408 AromaticContact CD2-CZ 3.91Å; H356-Y408 PolarHBondContact CD2-OH 3.15Å; H356-Y408 VanDerWaalsContact CG-OH 3.26Å
357R91.2Very high95.3Very high33 Ų3315.6 Ų15.613%0.1258%0.082CC..G310 helixtrans54.5-120.9169.4-54.7-72.7-76.2-171.4-6.5111.9L47 E277 F352 D354 N359 L360L47-R357 PolarHBondContact O-NH1 2.89Å; L47-R357 PolarHBondContact O-NH2 2.85Å; E277-R357 IonicContact OE1-CZ 3.65Å; E277-R357 IonicContact OE1-NE 3.68Å; E277-R357 IonicContact OE1-NH2 3.43Å; E277-R357 PolarHBondContact OE1-NH2 3.4Å; E277-R357 IonicContact OE2-CZ 2.81Å; E277-R357 IonicContact OE2-NE 2.66Å; E277-R357 PolarHBondContact OE2-NE 2.69Å; E277-R357 IonicContact OE2-NH2 3.65Å; F352-R357 PolarHBondContact O-NH1 2.86Å; D354-R357 PolarHBondContact O-N 3.21Å; D354-R357 PolarHBondContact OD2-N 3.47Å; D354-R357 VanDerWaalsContact OD2-N 3.1Å; R357-N359 PolarHBondContact O-N 3.3Å; R357-L360 PolarHBondContact O-N 3.33Å
358F92.5Very high95.3Very high14 Ų1415.6 Ų15.66%0.0618%0.082CC..G310 helixtrans-75.3-0.9-175.1-50.3-67.4000114L274 E277 I278 L334 L351 F352 H356 L360 L361 P362L274-F358 HydrophobicContact CD1-CE1 4.34Å; L274-F358 HydrophobicContact CD1-CE2 4.01Å; L274-F358 HydrophobicContact CD1-CZ 3.4Å; L274-F358 VanDerWaalsContact CD1-CZ 3.4Å; E277-F358 HydrophobicContact CB-CD2 4.34Å; E277-F358 HydrophobicContact CB-CE2 3.85Å; I278-F358 HydrophobicContact CG2-CD1 4.48Å; I278-F358 HydrophobicContact CG2-CD2 3.68Å; I278-F358 HydrophobicContact CG2-CE1 4.3Å; I278-F358 HydrophobicContact CG2-CE2 3.46Å; I278-F358 VanDerWaalsContact CG2-CE2 3.46Å; I278-F358 HydrophobicContact CG2-CG 4.21Å; I278-F358 HydrophobicContact CG2-CZ 3.81Å; L334-F358 HydrophobicContact CD1-CD1 4.31Å; L334-F358 HydrophobicContact CD1-CE1 3.69Å; L334-F358 HydrophobicContact CD1-CZ 4.35Å; L334-F358 HydrophobicContact CD2-CD1 3.68Å; L334-F358 HydrophobicContact CD2-CE1 3.94Å; L334-F358 HydrophobicContact CD2-CG 4.47Å; L334-F358 HydrophobicContact CG-CE1 4.48Å; L351-F358 HydrophobicContact CB-CD1 4.5Å; L351-F358 HydrophobicContact CB-CE1 4.39Å; F352-F358 HydrophobicContact CD1-CE1 4.24Å; F352-F358 HydrophobicContact CD1-CZ 4.16Å; F352-F358 HydrophobicContact CE1-CE1 4.07Å; F352-F358 HydrophobicContact CE1-CZ 4.01Å; H356-F358 PolarHBondContact O-N 2.96Å; F358-L360 PolarHBondContact O-N 3.08Å; F358-L361 VanDerWaalsContact O-CB 3.25Å; F358-L361 WeakPolarHBondContact O-CB 3.3Å; F358-L361 PolarHBondContact O-N 3.16Å; F358-P362 WeakPolarHBondContact O-CD 3.34Å
359N91.7Very high95.2Very high99 Ų9915.7 Ų15.753%0.5298%0.082SC..G310 helixtrans-65.4-21.8170.1-70.4-0.2000112.4H356 R357 L361 Y363H356-N359 HydrophobicContact CB-CB 3.95Å; H356-N359 VanDerWaalsContact O-CB 3.3Å; H356-N359 WeakPolarHBondContact O-CB 3.31Å; H356-N359 PolarHBondContact O-N 2.86Å; H356-N359 VanDerWaalsContact O-N 3.1Å; R357-N359 PolarHBondContact O-N 3.3Å; N359-L361 VanDerWaalsContact C-N 3.33Å; N359-Y363 WeakPolarHBondContact O-CD2 3.46Å; N359-Y363 WeakPolarHBondContact O-CE2 3.15Å
360L94.4Very high95.1Very high0 Ų016.3 Ų16.30%09%0.086CC..G310 helixtrans-73-24.9172.2-17862.6000112.3T350 L351 D354 R357 F358 Y363 V364 R405 Y408T350-L360 HydrophobicContact CG2-CD2 3.9Å; L351-L360 HydrophobicContact CD2-CB 4.35Å; L351-L360 HydrophobicContact CD2-CD2 4.46Å; L351-L360 HydrophobicContact CD2-CG 4.5Å; D354-L360 HydrophobicContact CB-CB 4.47Å; D354-L360 HydrophobicContact CB-CD2 4.19Å; R357-L360 PolarHBondContact O-N 3.33Å; F358-L360 PolarHBondContact O-N 3.08Å; L360-Y363 WeakPolarHBondContact O-CA 3.29Å; L360-Y363 VanDerWaalsContact O-CB 3.3Å; L360-Y363 WeakPolarHBondContact O-CB 3.3Å; L360-Y363 PolarHBondContact O-N 3.49Å; L360-V364 HydrophobicContact CG-CG2 4.2Å; L360-V364 PolarHBondContact O-N 3.08Å; L360-V364 VanDerWaalsContact O-N 3.12Å; L360-R405 HydrophobicContact CD1-CG 4.26Å; L360-R405 HydrophobicContact CD2-CG 4.38Å; L360-Y408 HydrophobicContact CD1-CD1 4.11Å; L360-Y408 HydrophobicContact CD1-CD2 4.26Å; L360-Y408 HydrophobicContact CD1-CG 3.85Å
361L95.3Very high95Very high0 Ų018.2 Ų18.20%011%0.106CC..Hα-helixtrans-59.3-44.6-171.4-177.763.6000113.8L331 L334 L335 L351 F358 N359 Y363 V364 C365L331-L361 HydrophobicContact CD2-CD2 3.89Å; L331-L361 HydrophobicContact CD2-CG 3.85Å; L334-L361 HydrophobicContact CD2-CD2 3.67Å; L335-L361 HydrophobicContact CD1-CD1 3.8Å; L335-L361 HydrophobicContact CG-CD1 4.16Å; L351-L361 HydrophobicContact CD1-CD1 4.15Å; L351-L361 HydrophobicContact CD2-CB 4.26Å; L351-L361 HydrophobicContact CD2-CD1 4.42Å; F358-L361 VanDerWaalsContact O-CB 3.25Å; F358-L361 WeakPolarHBondContact O-CB 3.3Å; F358-L361 PolarHBondContact O-N 3.16Å; N359-L361 VanDerWaalsContact C-N 3.33Å; L361-Y363 PolarHBondContact O-N 3.12Å; L361-V364 WeakPolarHBondContact O-CB 2.96Å; L361-V364 PolarHBondContact O-N 2.96Å; L361-V364 VanDerWaalsContact O-N 3.07Å; L361-C365 PolarHBondContact O-N 2.89Å; L361-C365 PolarHBondContact O-SG 3.2Å; L361-C365 VanDerWaalsContact O-SG 3.39Å
362P95.1Very high94.9Very high2 Ų218.4 Ų18.41%0.01311%0.107CC..Hα-helixtrans-59.3-28.9173.9-26.236.1000114Q297 I300 L304 F358 C366Q297-P362 HydrophobicContact CB-CG 4.26Å; Q297-P362 HydrophobicContact CG-CG 4.38Å; I300-P362 HydrophobicContact CB-CB 4.46Å; I300-P362 HydrophobicContact CG2-CB 3.82Å; I300-P362 HydrophobicContact CG2-CG 4.22Å; L304-P362 HydrophobicContact CD1-CB 3.93Å; F358-P362 WeakPolarHBondContact O-CD 3.34Å; P362-C366 WeakPolarHBondContact O-CB 3.46Å; P362-C366 PolarHBondContact O-N 2.9Å
363Y96.3Very high94.8Very high2 Ų222.4 Ų22.41%0.00812%0.121CC..Hα-helixtrans-73.9-37.1176.2-63.6-105.3000111.2L304 N359 L360 L361 C366 S367 F407 Y408 R411L304-Y363 HydrophobicContact CD1-CD1 4.02Å; L304-Y363 HydrophobicContact CD1-CD2 3.86Å; L304-Y363 HydrophobicContact CD1-CE1 4.04Å; L304-Y363 HydrophobicContact CD1-CE2 3.83Å; L304-Y363 HydrophobicContact CD1-CG 3.91Å; L304-Y363 HydrophobicContact CD2-CD1 3.89Å; L304-Y363 HydrophobicContact CD2-CE1 3.31Å; L304-Y363 HydrophobicContact CD2-CE2 4.3Å; L304-Y363 HydrophobicContact CG-CE1 4.34Å; N359-Y363 WeakPolarHBondContact O-CD2 3.46Å; N359-Y363 WeakPolarHBondContact O-CE2 3.15Å; L360-Y363 WeakPolarHBondContact O-CA 3.29Å; L360-Y363 VanDerWaalsContact O-CB 3.3Å; L360-Y363 WeakPolarHBondContact O-CB 3.3Å; L360-Y363 PolarHBondContact O-N 3.49Å; L361-Y363 PolarHBondContact O-N 3.12Å; Y363-C366 PolarHBondContact O-N 3.49Å; Y363-S367 VanDerWaalsContact O-CB 3.31Å; Y363-S367 WeakPolarHBondContact O-CB 3.16Å; Y363-S367 PolarHBondContact O-N 2.64Å; Y363-F407 HydrophobicContact CD1-CB 3.84Å; Y363-Y408 HydrophobicContact CD1-CD2 4.01Å; Y363-Y408 AromaticContact CD2-CD2 3.62Å; Y363-Y408 HydrophobicContact CD2-CD2 3.62Å; Y363-Y408 HydrophobicContact CD2-CE2 4.13Å; Y363-Y408 AromaticContact CE1-CD2 3.85Å; Y363-Y408 HydrophobicContact CE1-CD2 3.85Å; Y363-Y408 AromaticContact CE2-CD2 3.51Å; Y363-Y408 HydrophobicContact CE2-CD2 3.51Å; Y363-Y408 AromaticContact CE2-CE2 3.77Å; Y363-Y408 HydrophobicContact CE2-CE2 3.77Å; Y363-Y408 AromaticContact CG-CD2 3.91Å; Y363-Y408 HydrophobicContact CG-CD2 3.91Å; Y363-Y408 AromaticContact CZ-CD2 3.63Å; Y363-R411 WeakPolarHBondContact OH-CD 3.37Å; Y363-R411 PolarHBondContact OH-NH1 3.3Å
364V97.4Very high94.8Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-61.1-49.6171.1-179.40000109.7L335 L347 L360 L361 C366 S367 M368 I400 L401 A404L335-V364 HydrophobicContact CD1-CB 4.41Å; L335-V364 HydrophobicContact CD1-CG1 3.63Å; L347-V364 HydrophobicContact CD1-CG1 3.72Å; L360-V364 HydrophobicContact CG-CG2 4.2Å; L360-V364 PolarHBondContact O-N 3.08Å; L360-V364 VanDerWaalsContact O-N 3.12Å; L361-V364 WeakPolarHBondContact O-CB 2.96Å; L361-V364 PolarHBondContact O-N 2.96Å; L361-V364 VanDerWaalsContact O-N 3.07Å; V364-C366 VanDerWaalsContact C-N 3.31Å; V364-C366 PolarHBondContact O-N 2.68Å; V364-S367 WeakPolarHBondContact O-CB 2.96Å; V364-S367 PolarHBondContact O-N 2.76Å; V364-S367 VanDerWaalsContact O-N 3.14Å; V364-M368 HydrophobicContact CG1-SD 4.44Å; V364-M368 WeakPolarHBondContact O-CG 3.33Å; V364-M368 PolarHBondContact O-N 2.75Å; V364-I400 HydrophobicContact CG1-CG2 3.8Å; V364-L401 HydrophobicContact CG2-CD2 4.11Å; V364-A404 HydrophobicContact CB-CB 4.39Å; V364-A404 HydrophobicContact CG2-CB 3.92Å
365C97Very high94.8Very high0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-59.1-41.2176.4-63.50000112.3L301 W330 L361 M368 L369L301-C365 HydrophobicContact CD1-CB 3.81Å; L301-C365 HydrophobicContact CD2-CB 4.14Å; W330-C365 HydrophobicContact CE3-CB 3.87Å; W330-C365 HydrophobicContact CZ3-CB 4.16Å; L361-C365 PolarHBondContact O-N 2.89Å; L361-C365 PolarHBondContact O-SG 3.2Å; L361-C365 VanDerWaalsContact O-SG 3.39Å; C365-M368 WeakPolarHBondContact O-CB 3.08Å; C365-M368 PolarHBondContact O-N 3.35Å; C365-L369 WeakPolarHBondContact O-CG 3.06Å; C365-L369 PolarHBondContact O-N 3.29Å; C365-L369 VanDerWaalsContact O-N 3.11Å
366C96.7Very high95.1Very high1 Ų127.7 Ų27.71%0.00714%0.142CC..Hα-helixtrans-63.4-44.5175.2-173.90000111.5L301 L304 P362 Y363 V364 M368 L369 I370L301-C366 HydrophobicContact CD1-CB 3.89Å; L304-C366 HydrophobicContact CB-CB 4.15Å; P362-C366 WeakPolarHBondContact O-CB 3.46Å; P362-C366 PolarHBondContact O-N 2.9Å; Y363-C366 PolarHBondContact O-N 3.49Å; V364-C366 VanDerWaalsContact C-N 3.31Å; V364-C366 PolarHBondContact O-N 2.68Å; C366-M368 VanDerWaalsContact C-N 3.32Å; C366-M368 PolarHBondContact O-N 2.85Å; C366-L369 PolarHBondContact O-N 3.02Å; C366-I370 WeakPolarHBondContact O-CG1 3.32Å; C366-I370 PolarHBondContact O-N 2.7Å
367S96.8Very high95.3Very high1 Ų126.4 Ų26.41%0.00714%0.138CC..Hα-helixtrans-59.2-41.6175.6-175.50000112Y363 V364 I370 G371 I400 K403Y363-S367 VanDerWaalsContact O-CB 3.31Å; Y363-S367 WeakPolarHBondContact O-CB 3.16Å; Y363-S367 PolarHBondContact O-N 2.64Å; V364-S367 WeakPolarHBondContact O-CB 2.96Å; V364-S367 PolarHBondContact O-N 2.76Å; V364-S367 VanDerWaalsContact O-N 3.14Å; S367-I370 PolarHBondContact O-N 2.94Å; S367-G371 PolarHBondContact O-N 3.3Å; S367-I400 WeakPolarHBondContact CB-O 3.47Å; S367-I400 WeakPolarHBondContact OG-CA 3.43Å; S367-I400 PolarHBondContact OG-O 3.16Å; S367-K403 WeakPolarHBondContact OG-CB 3.45Å
368M97Very high95.6Very high0 Ų033.4 Ų33.40%017%0.17CC..Hα-helixtrans-58.1-48.7173.5-71.5171.86400112W330 L335 E338 F339 V364 C365 C366 I370 G371 I372 Y391 I400W330-M368 HydrophobicContact CD2-CE 4.37Å; W330-M368 HydrophobicContact CE3-CE 4.4Å; W330-M368 HydrophobicContact CH2-CB 4.33Å; W330-M368 HydrophobicContact CH2-CE 3.84Å; W330-M368 HydrophobicContact CZ2-CE 3.79Å; W330-M368 HydrophobicContact CZ3-CB 4.33Å; W330-M368 HydrophobicContact CZ3-CE 4.15Å; W330-M368 HydrophobicContact CZ3-SD 4.42Å; L335-M368 HydrophobicContact CD1-SD 3.68Å; L335-M368 HydrophobicContact CD2-CE 3.85Å; L335-M368 HydrophobicContact CD2-SD 3.56Å; L335-M368 VanDerWaalsContact CD2-SD 3.56Å; L335-M368 HydrophobicContact CG-SD 4.26Å; E338-M368 HydrophobicContact CB-CE 4.42Å; F339-M368 HydrophobicContact CE2-CE 3.78Å; F339-M368 HydrophobicContact CE2-SD 3.84Å; F339-M368 HydrophobicContact CZ-CE 3.66Å; F339-M368 HydrophobicContact CZ-CG 4.26Å; F339-M368 HydrophobicContact CZ-SD 3.89Å; V364-M368 HydrophobicContact CG1-SD 4.44Å; V364-M368 WeakPolarHBondContact O-CG 3.33Å; V364-M368 PolarHBondContact O-N 2.75Å; C365-M368 WeakPolarHBondContact O-CB 3.08Å; C365-M368 PolarHBondContact O-N 3.35Å; C366-M368 VanDerWaalsContact C-N 3.32Å; C366-M368 PolarHBondContact O-N 2.85Å; M368-I370 VanDerWaalsContact C-N 3.34Å; M368-I370 PolarHBondContact O-N 3Å; M368-G371 PolarHBondContact O-N 3.29Å; M368-G371 VanDerWaalsContact O-N 3.16Å; M368-I372 PolarHBondContact O-N 3.37Å; M368-Y391 VanDerWaalsContact CA-OH 3.29Å; M368-Y391 WeakPolarHBondContact CA-OH 3.42Å; M368-Y391 HydrophobicContact CB-CE2 3.82Å; M368-Y391 HydrophobicContact CE-CD1 4.12Å; M368-Y391 HydrophobicContact CE-CD2 3.82Å; M368-Y391 HydrophobicContact CE-CE1 4.28Å; M368-Y391 HydrophobicContact CE-CE2 4.01Å; M368-Y391 HydrophobicContact CE-CG 3.88Å; M368-Y391 WeakPolarHBondContact O-CE2 3.36Å; M368-Y391 PolarHBondContact O-OH 3.36Å; M368-I400 HydrophobicContact CG-CD1 3.93Å; M368-I400 HydrophobicContact CG-CG1 4.44Å; M368-I400 HydrophobicContact CG-CG2 3.75Å
369L96.8Very high95.7Very high1 Ų133 Ų331%0.00517%0.169CC..Hα-helixtrans-61-43.6179-67174.8000111.7L301 L305 L312 F316 F326 W330 C365 C366 G371 I372 R373 L376 V388L301-L369 HydrophobicContact CD1-CD1 4.28Å; L305-L369 HydrophobicContact CD1-CB 4.39Å; L305-L369 HydrophobicContact CD1-CD1 4.37Å; L305-L369 HydrophobicContact CD2-CD1 4.3Å; L312-L369 HydrophobicContact CD2-CB 4.37Å; F316-L369 HydrophobicContact CE2-CD1 4.13Å; F316-L369 HydrophobicContact CE2-CD2 4.38Å; F316-L369 HydrophobicContact CZ-CD1 4.49Å; F316-L369 HydrophobicContact CZ-CD2 4.11Å; F326-L369 HydrophobicContact CE2-CD1 4.17Å; F326-L369 HydrophobicContact CE2-CD2 4.03Å; F326-L369 HydrophobicContact CZ-CD1 4.08Å; F326-L369 HydrophobicContact CZ-CD2 4.2Å; W330-L369 HydrophobicContact CH2-CD2 3.83Å; W330-L369 HydrophobicContact CH2-CG 4.35Å; W330-L369 HydrophobicContact CZ3-CD2 4.07Å; W330-L369 HydrophobicContact CZ3-CG 4.16Å; C365-L369 WeakPolarHBondContact O-CG 3.06Å; C365-L369 PolarHBondContact O-N 3.29Å; C365-L369 VanDerWaalsContact O-N 3.11Å; C366-L369 PolarHBondContact O-N 3.02Å; L369-G371 VanDerWaalsContact C-N 3.28Å; L369-G371 PolarHBondContact O-N 3.45Å; L369-I372 PolarHBondContact O-N 2.96Å; L369-R373 PolarHBondContact O-N 3.3Å; L369-L376 HydrophobicContact CD2-CD1 4.2Å; L369-V388 HydrophobicContact CD2-CG1 3.81Å
370I95.4Very high95.9Very high14 Ų1432.4 Ų32.47%0.07217%0.166CC..Hα-helixtrans-68.6-30.7178.5-59.9171.1000110.9L305 F308 D309 C366 S367 M368 I372 R373 F407L305-I370 HydrophobicContact CD1-CG1 4.48Å; F308-I370 HydrophobicContact CB-CD1 3.89Å; D309-I370 HydrophobicContact CB-CD1 4.17Å; D309-I370 HydrophobicContact CB-CG1 4.06Å; C366-I370 WeakPolarHBondContact O-CG1 3.32Å; C366-I370 PolarHBondContact O-N 2.7Å; S367-I370 PolarHBondContact O-N 2.94Å; M368-I370 VanDerWaalsContact C-N 3.34Å; M368-I370 PolarHBondContact O-N 3Å; I370-I372 PolarHBondContact O-N 3.28Å; I370-R373 WeakPolarHBondContact O-CB 2.92Å; I370-R373 WeakPolarHBondContact O-CG 3.31Å; I370-R373 PolarHBondContact O-N 3Å; I370-F407 HydrophobicContact CD1-CE2 3.75Å; I370-F407 HydrophobicContact CD1-CZ 3.75Å
371G93.9Very high96Very high41 Ų4136 Ų3642%0.42318%0.182SC..Hα-helixtrans-58.2-30.1174.800000113.7S367 M368 L369S367-G371 PolarHBondContact O-N 3.3Å; M368-G371 PolarHBondContact O-N 3.29Å; M368-G371 VanDerWaalsContact O-N 3.16Å; L369-G371 VanDerWaalsContact C-N 3.28Å; L369-G371 PolarHBondContact O-N 3.45Å
372I94.9Very high96.1Very high4 Ų439.9 Ų39.92%0.02121%0.207CC..THydrogen-bonded Turntrans-112.721.1178.759.7165.7000112.8M368 L369 I370 D374 Q375 L376 Y391 P392 V395M368-I372 PolarHBondContact O-N 3.37Å; L369-I372 PolarHBondContact O-N 2.96Å; I370-I372 PolarHBondContact O-N 3.28Å; I372-D374 VanDerWaalsContact C-N 3.29Å; I372-D374 PolarHBondContact O-N 3.05Å; I372-Q375 PolarHBondContact O-N 3.06Å; I372-Q375 VanDerWaalsContact O-N 3.1Å; I372-L376 HydrophobicContact CD1-CD1 3.87Å; I372-L376 HydrophobicContact CD1-CD2 4.15Å; I372-L376 HydrophobicContact CD1-CG 3.93Å; I372-L376 HydrophobicContact CG1-CD1 3.68Å; I372-L376 HydrophobicContact CG1-CG 3.95Å; I372-L376 PolarHBondContact O-N 3.13Å; I372-Y391 HydrophobicContact CD1-CD2 4.12Å; I372-Y391 HydrophobicContact CD1-CE2 3.75Å; I372-Y391 HydrophobicContact CG1-CE2 4.02Å; I372-Y391 HydrophobicContact CG2-CE2 4.06Å; I372-P392 HydrophobicContact CG2-CG 4Å; I372-V395 HydrophobicContact CG2-CG2 4.35Å
373R95.4Very high96.1Very high83 Ų8342.7 Ų42.731%0.31322%0.224SC..Hα-helixtrans-53.2-41.6-172.872.4-173.6-57.9-124.54.3114.1D309 L312 L369 I370 Q375 L376 L377D309-R373 IonicContact OD1-NH2 2.92Å; D309-R373 PolarHBondContact OD1-NH2 3.02Å; D309-R373 IonicContact OD2-CZ 3.18Å; D309-R373 VanDerWaalsContact OD2-CZ 3.22Å; D309-R373 IonicContact OD2-NE 3.22Å; D309-R373 PolarHBondContact OD2-NE 2.89Å; D309-R373 IonicContact OD2-NH2 2.79Å; D309-R373 PolarHBondContact OD2-NH2 2.98Å; L312-R373 HydrophobicContact CD2-CB 4.15Å; L369-R373 PolarHBondContact O-N 3.3Å; I370-R373 WeakPolarHBondContact O-CB 2.92Å; I370-R373 WeakPolarHBondContact O-CG 3.31Å; I370-R373 PolarHBondContact O-N 3Å; R373-Q375 VanDerWaalsContact C-N 3.25Å; R373-Q375 PolarHBondContact O-N 3.03Å; R373-L376 PolarHBondContact O-N 3.33Å; R373-L377 WeakPolarHBondContact O-CB 3.5Å; R373-L377 VanDerWaalsContact O-CG 3.32Å; R373-L377 WeakPolarHBondContact O-CG 3.27Å; R373-L377 PolarHBondContact O-N 3.12Å
374D95.7Very high96.1Very high105 Ų10542.6 Ų42.656%0.56122%0.223SC*.Hα-helixtrans-69.5-28.7-174.1-64.7-35.1000111.9I372 K378I372-D374 VanDerWaalsContact C-N 3.29Å; I372-D374 PolarHBondContact O-N 3.05Å; D374-K378 WeakPolarHBondContact O-CD 3.3Å; D374-K378 WeakPolarHBondContact O-CG 3.18Å
375Q95.7Very high96Very high95 Ų9543.7 Ų43.744%0.44423%0.23SC..Hα-helixtrans-77.1-45.7173.9-60.5179.758.600109.8I372 R373 L377 K378 A379 L387I372-Q375 PolarHBondContact O-N 3.06Å; I372-Q375 VanDerWaalsContact O-N 3.1Å; R373-Q375 VanDerWaalsContact C-N 3.25Å; R373-Q375 PolarHBondContact O-N 3.03Å; Q375-L377 PolarHBondContact O-N 2.84Å; Q375-K378 PolarHBondContact O-N 2.81Å; Q375-A379 WeakPolarHBondContact O-CB 3.47Å; Q375-A379 PolarHBondContact O-N 3.45Å; Q375-A379 VanDerWaalsContact O-N 3.11Å; Q375-L387 HydrophobicContact CB-CD1 3.98Å
376L96.4Very high95.9Very high0 Ų049.8 Ų49.80%026%0.258CS..Hα-helixtrans-63-40.4179.8-70.3174.5000113.3L312 H315 F316 L369 I372 R373 K378 A379 A384 L387 V388L312-L376 HydrophobicContact CD1-CB 3.65Å; L312-L376 HydrophobicContact CD1-CD1 4.14Å; L312-L376 HydrophobicContact CD2-CD1 4.13Å; H315-L376 PolarHBondContact CD2-O 3.22Å; H315-L376 PolarHBondContact NE2-O 3.28Å; F316-L376 HydrophobicContact CE1-CB 4.35Å; F316-L376 HydrophobicContact CE1-CD1 4.06Å; F316-L376 HydrophobicContact CZ-CD1 3.95Å; L369-L376 HydrophobicContact CD2-CD1 4.2Å; I372-L376 HydrophobicContact CD1-CD1 3.87Å; I372-L376 HydrophobicContact CD1-CD2 4.15Å; I372-L376 HydrophobicContact CD1-CG 3.93Å; I372-L376 HydrophobicContact CG1-CD1 3.68Å; I372-L376 HydrophobicContact CG1-CG 3.95Å; I372-L376 PolarHBondContact O-N 3.13Å; R373-L376 PolarHBondContact O-N 3.33Å; L376-K378 PolarHBondContact O-N 2.73Å; L376-A379 PolarHBondContact O-N 2.8Å; L376-A379 VanDerWaalsContact O-N 3.16Å; L376-A384 HydrophobicContact CD2-CB 4.19Å; L376-L387 HydrophobicContact CD2-CB 4.3Å; L376-L387 HydrophobicContact CD2-CD1 4.34Å; L376-V388 HydrophobicContact CD2-CG1 3.95Å
377L96.7Very high95.8Very high60 Ų6051.3 Ų51.331%0.31427%0.266SS..THydrogen-bonded Turntrans-64.7-23.4178.4-74.7172.6000113.3L312 H315 R373 Q375L312-L377 HydrophobicContact CD1-CD2 4.17Å; L312-L377 HydrophobicContact CD1-CG 4.24Å; H315-L377 HydrophobicContact CB-CD2 3.83Å; R373-L377 WeakPolarHBondContact O-CB 3.5Å; R373-L377 VanDerWaalsContact O-CG 3.32Å; R373-L377 WeakPolarHBondContact O-CG 3.27Å; R373-L377 PolarHBondContact O-N 3.12Å; Q375-L377 PolarHBondContact O-N 2.84Å
378K96.1Very high95.7Very high180 Ų18051.3 Ų51.378%0.78327%0.266SS*.THydrogen-bonded Turntrans-93.3-17.1177.2-64.6173.2-170.9171.30112.6D374 Q375 L376D374-K378 WeakPolarHBondContact O-CD 3.3Å; D374-K378 WeakPolarHBondContact O-CG 3.18Å; Q375-K378 PolarHBondContact O-N 2.81Å; L376-K378 PolarHBondContact O-N 2.73Å
379A95.6Very high95.4Very high6 Ų654.8 Ų54.85%0.0528%0.282CS..  trans-79.5143.4-175.700000111.8H315 Q375 L376 T383 A384 L387H315-A379 PolarHBondContact CE1-O 3.18Å; H315-A379 PolarHBondContact NE2-O 2.67Å; Q375-A379 WeakPolarHBondContact O-CB 3.47Å; Q375-A379 PolarHBondContact O-N 3.45Å; Q375-A379 VanDerWaalsContact O-N 3.11Å; L376-A379 PolarHBondContact O-N 2.8Å; L376-A379 VanDerWaalsContact O-N 3.16Å; A379-T383 HydrophobicContact CB-CG2 3.8Å; A379-A384 HydrophobicContact CB-CB 3.93Å; A379-L387 HydrophobicContact CB-CD1 4.18Å
380D96Very high95.2Very high86 Ų8660 Ų6046%0.4631%0.31SS..  trans-81.1-179.7160.863.4-1.7000110.6T383 A384D380-T383 PolarHBondContact O-N 3.34Å; D380-T383 WeakPolarHBondContact OD1-CB 3.4Å; D380-T383 PolarHBondContact OD1-N 3.5Å; D380-T383 VanDerWaalsContact OD1-N 3.08Å; D380-T383 PolarHBondContact OD1-OG1 3.35Å; D380-A384 WeakPolarHBondContact O-CB 3.38Å; D380-A384 PolarHBondContact O-N 3.13Å
381F96.5Very high95.1Very high76 Ų7660 Ų6033%0.33331%0.31SS..Hα-helixtrans-55.8-52.9-177.3174.2-94.9000113.5I319 L321 H325 T383 A384 V385I319-F381 HydrophobicContact CB-CB 4.44Å; I319-F381 WeakPolarHBondContact O-CD2 3.45Å; L321-F381 HydrophobicContact CB-CD2 4.3Å; L321-F381 HydrophobicContact CD1-CD2 4.23Å; L321-F381 HydrophobicContact CD1-CE2 3.99Å; H325-F381 AromaticContact CE1-CE2 3.75Å; H325-F381 AromaticContact NE2-CE2 3.97Å; H325-F381 AromaticContact NE2-CZ 3.8Å; F381-T383 PolarHBondContact O-N 2.88Å; F381-A384 PolarHBondContact O-N 3.34Å; F381-V385 HydrophobicContact CD1-CG2 4.39Å; F381-V385 HydrophobicContact CD2-CG2 4.17Å; F381-V385 HydrophobicContact CE1-CG2 4.03Å; F381-V385 HydrophobicContact CE2-CG2 3.8Å; F381-V385 HydrophobicContact CG-CG2 4.46Å; F381-V385 HydrophobicContact CZ-CG2 3.73Å; F381-V385 WeakPolarHBondContact O-CG2 3.47Å; F381-V385 PolarHBondContact O-N 2.93Å
382P96.3Very high95Very high81 Ų8159.2 Ų59.253%0.52630%0.297SS..Hα-helixtrans-60.2-43.8180-23.534.5000113.1V385 Q386P382-V385 PolarHBondContact O-N 3.23Å; P382-Q386 WeakPolarHBondContact O-CB 3.48Å; P382-Q386 PolarHBondContact O-N 3.44Å
383T96.2Very high94.6Very high61 Ų6164.5 Ų64.537%0.37433%0.334SS..Hα-helixtrans-65.9-40.9179.6-53.80000110.8A379 D380 F381 Q386 L387A379-T383 HydrophobicContact CB-CG2 3.8Å; D380-T383 PolarHBondContact O-N 3.34Å; D380-T383 WeakPolarHBondContact OD1-CB 3.4Å; D380-T383 PolarHBondContact OD1-N 3.5Å; D380-T383 VanDerWaalsContact OD1-N 3.08Å; D380-T383 PolarHBondContact OD1-OG1 3.35Å; F381-T383 PolarHBondContact O-N 2.88Å; T383-Q386 PolarHBondContact O-N 3.24Å; T383-L387 HydrophobicContact CG2-CD1 4.16Å; T383-L387 WeakPolarHBondContact O-CB 3.34Å; T383-L387 VanDerWaalsContact O-CG 3.28Å; T383-L387 WeakPolarHBondContact O-CG 3.29Å; T383-L387 PolarHBondContact O-N 3.48Å
384A96.1Very high94.1Very high0 Ų067 Ų670%035%0.354CS..Hα-helixtrans-66.1-43.8179.400000111.4I319 L321 L376 A379 D380 F381 Q386 L387 V388I319-A384 HydrophobicContact CD1-CB 3.74Å; L321-A384 HydrophobicContact CD2-CB 3.8Å; L376-A384 HydrophobicContact CD2-CB 4.19Å; A379-A384 HydrophobicContact CB-CB 3.93Å; D380-A384 WeakPolarHBondContact O-CB 3.38Å; D380-A384 PolarHBondContact O-N 3.13Å; F381-A384 PolarHBondContact O-N 3.34Å; A384-Q386 VanDerWaalsContact C-N 3.34Å; A384-Q386 PolarHBondContact O-N 2.88Å; A384-L387 PolarHBondContact O-N 3.14Å; A384-V388 WeakPolarHBondContact O-CG2 3.49Å; A384-V388 PolarHBondContact O-N 3.16Å
385V95Very high93.8Very high23 Ų2363.3 Ų63.314%0.13934%0.335CS..Hα-helixtrans-58.5-46.4173.6172.90000110.6L321 F381 P382 L387 V388 Q389L321-V385 HydrophobicContact CD1-CG2 3.57Å; F381-V385 HydrophobicContact CD1-CG2 4.39Å; F381-V385 HydrophobicContact CD2-CG2 4.17Å; F381-V385 HydrophobicContact CE1-CG2 4.03Å; F381-V385 HydrophobicContact CE2-CG2 3.8Å; F381-V385 HydrophobicContact CG-CG2 4.46Å; F381-V385 HydrophobicContact CZ-CG2 3.73Å; F381-V385 WeakPolarHBondContact O-CG2 3.47Å; F381-V385 PolarHBondContact O-N 2.93Å; P382-V385 PolarHBondContact O-N 3.23Å; V385-L387 VanDerWaalsContact C-N 3.33Å; V385-L387 PolarHBondContact O-N 2.75Å; V385-V388 WeakPolarHBondContact O-CG2 3.21Å; V385-V388 PolarHBondContact O-N 3.41Å; V385-Q389 HydrophobicContact CG1-CG 4.2Å; V385-Q389 VanDerWaalsContact O-CB 3.31Å; V385-Q389 WeakPolarHBondContact O-CB 3.42Å; V385-Q389 WeakPolarHBondContact O-CG 3.45Å; V385-Q389 PolarHBondContact O-N 2.94Å
386Q95.3Very high93.6Very high127 Ų12763.6 Ų63.659%0.59334%0.34SS*.Hα-helixtrans-61.7-41178.9-173.91783.700112.2P382 T383 A384 N390P382-Q386 WeakPolarHBondContact O-CB 3.48Å; P382-Q386 PolarHBondContact O-N 3.44Å; T383-Q386 PolarHBondContact O-N 3.24Å; A384-Q386 VanDerWaalsContact C-N 3.34Å; A384-Q386 PolarHBondContact O-N 2.88Å; Q386-N390 WeakPolarHBondContact O-CB 3.38Å; Q386-N390 PolarHBondContact O-N 3.1Å; Q386-N390 PolarHBondContact O-ND2 3.35Å
387L94.4Very high93.5Very high33 Ų3363.6 Ų63.617%0.17334%0.34CS..Hα-helixtrans-65.7-42.2178.2-76.3170.3000112.6Q375 L376 A379 T383 A384 V385 N390Q375-L387 HydrophobicContact CB-CD1 3.98Å; L376-L387 HydrophobicContact CD2-CB 4.3Å; L376-L387 HydrophobicContact CD2-CD1 4.34Å; A379-L387 HydrophobicContact CB-CD1 4.18Å; T383-L387 HydrophobicContact CG2-CD1 4.16Å; T383-L387 WeakPolarHBondContact O-CB 3.34Å; T383-L387 VanDerWaalsContact O-CG 3.28Å; T383-L387 WeakPolarHBondContact O-CG 3.29Å; T383-L387 PolarHBondContact O-N 3.48Å; A384-L387 PolarHBondContact O-N 3.14Å; V385-L387 VanDerWaalsContact C-N 3.33Å; V385-L387 PolarHBondContact O-N 2.75Å; L387-N390 CarbonylContact O-C 3.08Å
388V94.1Very high93.4Very high1 Ų163.1 Ų63.11%0.00634%0.337CS..Hα-helixtrans-78-28179.3-59.60000112.6F326 W330 L369 L376 A384 V385F326-V388 HydrophobicContact CB-CB 4.13Å; F326-V388 HydrophobicContact CB-CG2 3.46Å; F326-V388 VanDerWaalsContact CB-CG2 3.46Å; F326-V388 HydrophobicContact CD1-CG2 3.82Å; F326-V388 HydrophobicContact CD2-CB 4.28Å; F326-V388 HydrophobicContact CD2-CG2 4.33Å; F326-V388 HydrophobicContact CG-CB 4.06Å; F326-V388 HydrophobicContact CG-CG2 3.62Å; W330-V388 HydrophobicContact CH2-CB 4.4Å; W330-V388 HydrophobicContact CZ2-CB 4.12Å; W330-V388 WeakPolarHBondContact CZ2-O 3.25Å; W330-V388 PolarHBondContact NE1-O 3.21Å; L369-V388 HydrophobicContact CD2-CG1 3.81Å; L376-V388 HydrophobicContact CD2-CG1 3.95Å; A384-V388 WeakPolarHBondContact O-CG2 3.49Å; A384-V388 PolarHBondContact O-N 3.16Å; V385-V388 WeakPolarHBondContact O-CG2 3.21Å; V385-V388 PolarHBondContact O-N 3.41Å
389Q91.9Very high93.3Very high73 Ų7359.7 Ų59.734%0.34132%0.323SS..Hα-helixtrans-85.1-16.2176.4-69.1-175.7-0.300113.6H325 F326 R329 V385H325-Q389 PolarHBondContact O-NE2 3.2Å; F326-Q389 HydrophobicContact CB-CG 4.49Å; R329-Q389 PolarHBondContact NH2-O 3.17Å; V385-Q389 HydrophobicContact CG1-CG 4.2Å; V385-Q389 VanDerWaalsContact O-CB 3.31Å; V385-Q389 WeakPolarHBondContact O-CB 3.42Å; V385-Q389 WeakPolarHBondContact O-CG 3.45Å; V385-Q389 PolarHBondContact O-N 2.94Å
390N91.6Very high93.4Very high111 Ų11159.5 Ų59.559%0.59432%0.321SS*.SBendtrans-128.270.2173.5-54.8-72.9000108.2Q386 L387Q386-N390 WeakPolarHBondContact O-CB 3.38Å; Q386-N390 PolarHBondContact O-N 3.1Å; Q386-N390 PolarHBondContact O-ND2 3.35Å; L387-N390 CarbonylContact O-C 3.08Å
391Y93.5Very high93.4Very high15 Ų1555.6 Ų55.66%0.05930%0.3CS..  trans-58.7137-173-162.1-98000111.2W330 F339 M368 I372 S393 V395 I400W330-Y391 HydrophobicContact CH2-CD2 4.41Å; W330-Y391 HydrophobicContact CZ2-CD2 4.23Å; F339-Y391 HydrophobicContact CE1-CD1 4.01Å; F339-Y391 HydrophobicContact CE1-CE1 4.2Å; F339-Y391 HydrophobicContact CZ-CD1 4.14Å; F339-Y391 HydrophobicContact CZ-CE1 4.24Å; M368-Y391 VanDerWaalsContact CA-OH 3.29Å; M368-Y391 WeakPolarHBondContact CA-OH 3.42Å; M368-Y391 HydrophobicContact CB-CE2 3.82Å; M368-Y391 HydrophobicContact CE-CD1 4.12Å; M368-Y391 HydrophobicContact CE-CD2 3.82Å; M368-Y391 HydrophobicContact CE-CE1 4.28Å; M368-Y391 HydrophobicContact CE-CE2 4.01Å; M368-Y391 HydrophobicContact CE-CG 3.88Å; M368-Y391 WeakPolarHBondContact O-CE2 3.36Å; M368-Y391 PolarHBondContact O-OH 3.36Å; I372-Y391 HydrophobicContact CD1-CD2 4.12Å; I372-Y391 HydrophobicContact CD1-CE2 3.75Å; I372-Y391 HydrophobicContact CG1-CE2 4.02Å; I372-Y391 HydrophobicContact CG2-CE2 4.06Å; Y391-S393 PolarHBondContact O-N 3.11Å; Y391-V395 HydrophobicContact CE1-CB 3.85Å; Y391-V395 HydrophobicContact CE1-CG1 4.17Å; Y391-V395 HydrophobicContact CE1-CG2 3.83Å; Y391-I400 HydrophobicContact CE1-CD1 4.18Å
392P91.1Very high93.3Very high23 Ų2356.3 Ų56.315%0.14931%0.307CS..  trans-63.4129.6-176-23.234.3000112.8I372 N394 V395I372-P392 HydrophobicContact CG2-CG 4Å; P392-N394 WeakPolarHBondContact CB-OD1 3.25Å; P392-N394 PolarHBondContact O-N 2.71Å; P392-V395 HydrophobicContact CB-CG2 4.24Å; P392-V395 PolarHBondContact O-N 2.6Å
393S86.8Confident93.2Very high116 Ų11655 Ų5581%0.81129%0.293SS*.THydrogen-bonded Turntrans-73.7-8.7-178.256.80000114.7Y391 V395Y391-S393 PolarHBondContact O-N 3.11Å; S393-V395 VanDerWaalsContact C-N 3.31Å
394N85.9Confident93.2Very high134 Ų13452 Ų5272%0.71728%0.275SS*.THydrogen-bonded Turntrans-85.3-1.6179.266.5-39.2000113.5P392P392-N394 WeakPolarHBondContact CB-OD1 3.25Å; P392-N394 PolarHBondContact O-N 2.71Å
395V87.9Confident93.1Very high28 Ų2855.3 Ų55.317%0.1729%0.287CS..SBendtrans-85.8123.8179.5-173.90000109.7I372 Y391 P392 S393 V397 I400I372-V395 HydrophobicContact CG2-CG2 4.35Å; Y391-V395 HydrophobicContact CE1-CB 3.85Å; Y391-V395 HydrophobicContact CE1-CG1 4.17Å; Y391-V395 HydrophobicContact CE1-CG2 3.83Å; P392-V395 HydrophobicContact CB-CG2 4.24Å; P392-V395 PolarHBondContact O-N 2.6Å; S393-V395 VanDerWaalsContact C-N 3.31Å; V395-V397 PolarHBondContact O-N 3.04Å; V395-I400 HydrophobicContact CB-CD1 4.4Å; V395-I400 HydrophobicContact CG1-CD1 3.56Å; V395-I400 HydrophobicContact CG1-CG1 3.85Å
396D92.6Very high93Very high101 Ų10157 Ų5754%0.5430%0.304SS..  trans-68.8117.6177.2179.90.8000111.3M398 H399 I400D396-M398 VanDerWaalsContact C-N 3.27Å; D396-M398 PolarHBondContact O-N 2.83Å; D396-M398 VanDerWaalsContact OD1-CB 3.31Å; D396-M398 WeakPolarHBondContact OD1-CB 3.16Å; D396-M398 PolarHBondContact OD1-N 3.41Å; D396-H399 HydrophobicContact CB-CB 4.1Å; D396-H399 WeakPolarHBondContact O-CB 3.33Å; D396-H399 PolarHBondContact O-N 2.77Å; D396-H399 VanDerWaalsContact O-N 3.14Å; D396-I400 PolarHBondContact O-N 3.23Å; D396-I400 VanDerWaalsContact O-N 3.15Å
397V94Very high92.8Very high1 Ų152.4 Ų52.41%0.00628%0.282CS..Hα-helixtrans-62.7-33.2178.4176.90000112.1F339 D343 L346 L347 V395 H399 I400 L401F339-V397 HydrophobicContact CD1-CG2 3.46Å; F339-V397 VanDerWaalsContact CD1-CG2 3.46Å; F339-V397 HydrophobicContact CE1-CG2 3.55Å; F339-V397 HydrophobicContact CG-CG2 4.1Å; F339-V397 HydrophobicContact CZ-CG2 4.24Å; D343-V397 HydrophobicContact CB-CB 4.34Å; D343-V397 HydrophobicContact CB-CG2 3.71Å; L346-V397 HydrophobicContact CD2-CG1 4.46Å; L347-V397 HydrophobicContact CB-CG1 4.49Å; V395-V397 PolarHBondContact O-N 3.04Å; V397-H399 VanDerWaalsContact C-N 3.32Å; V397-H399 PolarHBondContact O-N 2.93Å; V397-I400 WeakPolarHBondContact O-CB 3.42Å; V397-I400 PolarHBondContact O-N 2.84Å; V397-L401 HydrophobicContact CG1-CD1 4.05Å; V397-L401 HydrophobicContact CG1-CG 4.29Å; V397-L401 WeakPolarHBondContact O-CB 3.36Å; V397-L401 VanDerWaalsContact O-CG 3.31Å; V397-L401 WeakPolarHBondContact O-CG 3.46Å; V397-L401 PolarHBondContact O-N 2.84Å
398M94Very high92.5Very high50 Ų5051.9 Ų51.925%0.24628%0.278CS..Hα-helixtrans-64.3-39.9175.4-174.157.774.600111.1L346 D396 I400 L401 L402L346-M398 HydrophobicContact CD1-CE 3.72Å; L346-M398 HydrophobicContact CD2-CE 3.93Å; L346-M398 HydrophobicContact CG-CE 4.35Å; D396-M398 VanDerWaalsContact C-N 3.27Å; D396-M398 PolarHBondContact O-N 2.83Å; D396-M398 VanDerWaalsContact OD1-CB 3.31Å; D396-M398 WeakPolarHBondContact OD1-CB 3.16Å; D396-M398 PolarHBondContact OD1-N 3.41Å; M398-I400 VanDerWaalsContact C-N 3.34Å; M398-I400 PolarHBondContact O-N 3.03Å; M398-L401 PolarHBondContact O-N 3.32Å; M398-L402 HydrophobicContact CG-CD1 4.15Å; M398-L402 HydrophobicContact CG-CG 4.42Å; M398-L402 WeakPolarHBondContact O-CB 3.32Å; M398-L402 VanDerWaalsContact O-CG 3.32Å; M398-L402 WeakPolarHBondContact O-CG 3.12Å; M398-L402 PolarHBondContact O-N 2.6Å; M398-L402 HydrophobicContact SD-CG 4.29Å
399H94.7Very high92Very high107 Ų10755.8 Ų55.850%0.49530%0.302SS..Hα-helixtrans-62.6-42.4174.5-175.674.2000111.7D396 V397 L401 K403D396-H399 HydrophobicContact CB-CB 4.1Å; D396-H399 WeakPolarHBondContact O-CB 3.33Å; D396-H399 PolarHBondContact O-N 2.77Å; D396-H399 VanDerWaalsContact O-N 3.14Å; V397-H399 VanDerWaalsContact C-N 3.32Å; V397-H399 PolarHBondContact O-N 2.93Å; H399-L401 VanDerWaalsContact C-N 3.35Å; H399-L401 PolarHBondContact O-N 2.8Å; H399-K403 VanDerWaalsContact O-CB 3.32Å; H399-K403 WeakPolarHBondContact O-CB 3.44Å; H399-K403 PolarHBondContact O-N 3.05Å; H399-K403 VanDerWaalsContact O-N 3.1Å
400I96.5Very high91Very high2 Ų256.2 Ų56.21%0.0131%0.307CS..Hα-helixtrans-58.5-48.5175.7-67.4165.2000110.2F339 V364 S367 M368 Y391 V395 D396 V397 M398 K403 A404F339-I400 HydrophobicContact CE1-CD1 4.13Å; F339-I400 HydrophobicContact CZ-CD1 3.91Å; V364-I400 HydrophobicContact CG1-CG2 3.8Å; S367-I400 WeakPolarHBondContact CB-O 3.47Å; S367-I400 WeakPolarHBondContact OG-CA 3.43Å; S367-I400 PolarHBondContact OG-O 3.16Å; M368-I400 HydrophobicContact CG-CD1 3.93Å; M368-I400 HydrophobicContact CG-CG1 4.44Å; M368-I400 HydrophobicContact CG-CG2 3.75Å; Y391-I400 HydrophobicContact CE1-CD1 4.18Å; V395-I400 HydrophobicContact CB-CD1 4.4Å; V395-I400 HydrophobicContact CG1-CD1 3.56Å; V395-I400 HydrophobicContact CG1-CG1 3.85Å; D396-I400 PolarHBondContact O-N 3.23Å; D396-I400 VanDerWaalsContact O-N 3.15Å; V397-I400 WeakPolarHBondContact O-CB 3.42Å; V397-I400 PolarHBondContact O-N 2.84Å; M398-I400 VanDerWaalsContact C-N 3.34Å; M398-I400 PolarHBondContact O-N 3.03Å; I400-K403 PolarHBondContact O-N 3.45Å; I400-A404 VanDerWaalsContact O-CB 3.31Å; I400-A404 WeakPolarHBondContact O-CB 3.35Å; I400-A404 PolarHBondContact O-N 3.47Å
401L96.2Very high89.7Confident4 Ų458.4 Ų58.42%0.02131%0.307CS..Hα-helixtrans-64.1-46.9-177.9-74.9171.8000112.8L346 L347 T350 V364 V397 M398 H399 K403 A404 R405L346-L401 HydrophobicContact CG-CD1 4.07Å; L347-L401 HydrophobicContact CD1-CD2 3.63Å; L347-L401 HydrophobicContact CD1-CG 4.33Å; T350-L401 HydrophobicContact CG2-CD2 3.91Å; T350-L401 WeakPolarHBondContact OG1-CD1 3.37Å; V364-L401 HydrophobicContact CG2-CD2 4.11Å; V397-L401 HydrophobicContact CG1-CD1 4.05Å; V397-L401 HydrophobicContact CG1-CG 4.29Å; V397-L401 WeakPolarHBondContact O-CB 3.36Å; V397-L401 VanDerWaalsContact O-CG 3.31Å; V397-L401 WeakPolarHBondContact O-CG 3.46Å; V397-L401 PolarHBondContact O-N 2.84Å; M398-L401 PolarHBondContact O-N 3.32Å; H399-L401 VanDerWaalsContact C-N 3.35Å; H399-L401 PolarHBondContact O-N 2.8Å; L401-K403 VanDerWaalsContact C-N 3.31Å; L401-K403 PolarHBondContact O-N 3.02Å; L401-A404 PolarHBondContact O-N 2.82Å; L401-R405 WeakPolarHBondContact O-CG 3.3Å; L401-R405 PolarHBondContact O-N 3.33Å
402L95.1Very high87.8Confident91 Ų9163.5 Ų63.548%0.47633%0.331SS..Hα-helixtrans-60.6-43.2178-72173.8000111.4M398 R405 A406M398-L402 HydrophobicContact CG-CD1 4.15Å; M398-L402 HydrophobicContact CG-CG 4.42Å; M398-L402 WeakPolarHBondContact O-CB 3.32Å; M398-L402 VanDerWaalsContact O-CG 3.32Å; M398-L402 WeakPolarHBondContact O-CG 3.12Å; M398-L402 PolarHBondContact O-N 2.6Å; M398-L402 HydrophobicContact SD-CG 4.29Å; L402-R405 PolarHBondContact O-N 3.25Å; L402-A406 PolarHBondContact O-N 3.34Å
403K95.1Very high85.3Confident53 Ų5371.4 Ų71.423%0.2337%0.37CS..Hα-helixtrans-67.4-40.9177.1-178.1174.6-172.7172.30112.1S367 H399 I400 L401 R405 A406 F407S367-K403 WeakPolarHBondContact OG-CB 3.45Å; H399-K403 VanDerWaalsContact O-CB 3.32Å; H399-K403 WeakPolarHBondContact O-CB 3.44Å; H399-K403 PolarHBondContact O-N 3.05Å; H399-K403 VanDerWaalsContact O-N 3.1Å; I400-K403 PolarHBondContact O-N 3.45Å; L401-K403 VanDerWaalsContact C-N 3.31Å; L401-K403 PolarHBondContact O-N 3.02Å; K403-R405 VanDerWaalsContact C-N 3.32Å; K403-R405 PolarHBondContact O-N 3.33Å; K403-A406 WeakPolarHBondContact O-CB 3.42Å; K403-A406 PolarHBondContact O-N 2.85Å; K403-F407 HydrophobicContact CD-CE2 4.3Å; K403-F407 HydrophobicContact CD-CZ 4.12Å; K403-F407 VanDerWaalsContact CE-CZ 3.47Å; K403-F407 HydrophobicContact CG-CD2 4.38Å; K403-F407 HydrophobicContact CG-CE1 4.22Å; K403-F407 HydrophobicContact CG-CE2 3.7Å; K403-F407 HydrophobicContact CG-CZ 3.63Å; K403-F407 WeakPolarHBondContact O-CD2 3.49Å; K403-F407 VanDerWaalsContact O-CG 3.32Å; K403-F407 WeakPolarHBondContact O-CG 3.11Å; K403-F407 PolarHBondContact O-N 3.17Å
404A95.9Very high85.2Confident0 Ų069.2 Ų69.20%035%0.348CS..Hα-helixtrans-59.8-42.5174.500000111.8V364 I400 L401 F407 Y408V364-A404 HydrophobicContact CB-CB 4.39Å; V364-A404 HydrophobicContact CG2-CB 3.92Å; I400-A404 VanDerWaalsContact O-CB 3.31Å; I400-A404 WeakPolarHBondContact O-CB 3.35Å; I400-A404 PolarHBondContact O-N 3.47Å; L401-A404 PolarHBondContact O-N 2.82Å; A404-F407 WeakPolarHBondContact O-CB 3.37Å; A404-F407 PolarHBondContact O-N 3.01Å; A404-Y408 WeakPolarHBondContact O-CB 3.47Å; A404-Y408 PolarHBondContact O-N 3.33Å
405R93.3Very high85.2Confident68 Ų6865.7 Ų65.726%0.25733%0.328SS..Hα-helixtrans-68.8-35.2176.8-74.5175.858-160.8-3.3113.2D31 L360 L401 L402 K403 F407 Y408 T409D31-R405 IonicContact OD1-CZ 3.39Å; D31-R405 IonicContact OD1-NH1 3.82Å; D31-R405 PolarHBondContact OD1-NH1 3.37Å; L360-R405 HydrophobicContact CD1-CG 4.26Å; L360-R405 HydrophobicContact CD2-CG 4.38Å; L401-R405 WeakPolarHBondContact O-CG 3.3Å; L401-R405 PolarHBondContact O-N 3.33Å; L402-R405 PolarHBondContact O-N 3.25Å; K403-R405 VanDerWaalsContact C-N 3.32Å; K403-R405 PolarHBondContact O-N 3.33Å; R405-F407 VanDerWaalsContact C-N 3.35Å; R405-Y408 PolarHBondContact O-N 3.31Å; R405-T409 PolarHBondContact O-N 2.83Å; R405-T409 PolarHBondContact O-OG1 2.91Å
406A93.2Very high85.1Confident60 Ų6067.8 Ų67.850%0.49634%0.337SS..Hα-helixtrans-60.7-45.6171.900000111L402 K403 Y408 T409 D410L402-A406 PolarHBondContact O-N 3.34Å; K403-A406 WeakPolarHBondContact O-CB 3.42Å; K403-A406 PolarHBondContact O-N 2.85Å; A406-Y408 VanDerWaalsContact C-N 3.3Å; A406-Y408 PolarHBondContact O-N 2.78Å; A406-T409 PolarHBondContact O-N 3.38Å; A406-D410 PolarHBondContact O-N 3.34Å
407F91Very high84.6Confident30 Ų3065.9 Ų65.913%0.13233%0.325CS..Hα-helixtrans-62.9-36.3173.4-62.7-24.1000113F308 Y363 I370 K403 A404 R405F308-F407 HydrophobicContact CB-CE1 4.3Å; F308-F407 HydrophobicContact CB-CZ 4.24Å; F308-F407 AromaticContact CD1-CD1 3.54Å; F308-F407 HydrophobicContact CD1-CD1 3.54Å; F308-F407 AromaticContact CD1-CE1 3.78Å; F308-F407 HydrophobicContact CD1-CE1 3.78Å; F308-F407 HydrophobicContact CD1-CG 4.1Å; F308-F407 HydrophobicContact CD2-CB 4.22Å; F308-F407 HydrophobicContact CD2-CD1 4.28Å; F308-F407 HydrophobicContact CD2-CD2 4.25Å; F308-F407 HydrophobicContact CD2-CG 4.02Å; F308-F407 HydrophobicContact CE1-CB 4.08Å; F308-F407 AromaticContact CE1-CD1 3.58Å; F308-F407 HydrophobicContact CE1-CD1 3.58Å; F308-F407 HydrophobicContact CE1-CE1 4.28Å; F308-F407 HydrophobicContact CE1-CG 4.03Å; F308-F407 HydrophobicContact CE2-CB 3.65Å; F308-F407 HydrophobicContact CE2-CD1 4.32Å; F308-F407 HydrophobicContact CE2-CD2 4.5Å; F308-F407 AromaticContact CE2-CG 3.94Å; F308-F407 HydrophobicContact CE2-CG 3.94Å; F308-F407 AromaticContact CG-CD1 3.91Å; F308-F407 HydrophobicContact CG-CD1 3.91Å; F308-F407 HydrophobicContact CG-CD2 4.42Å; F308-F407 HydrophobicContact CG-CE1 4.04Å; F308-F407 HydrophobicContact CG-CG 4.11Å; F308-F407 HydrophobicContact CG-CZ 4.33Å; F308-F407 HydrophobicContact CZ-CB 3.57Å; F308-F407 AromaticContact CZ-CD1 3.99Å; F308-F407 HydrophobicContact CZ-CD1 3.99Å; F308-F407 AromaticContact CZ-CG 3.94Å; F308-F407 HydrophobicContact CZ-CG 3.94Å; Y363-F407 HydrophobicContact CD1-CB 3.84Å; I370-F407 HydrophobicContact CD1-CE2 3.75Å; I370-F407 HydrophobicContact CD1-CZ 3.75Å; K403-F407 HydrophobicContact CD-CE2 4.3Å; K403-F407 HydrophobicContact CD-CZ 4.12Å; K403-F407 VanDerWaalsContact CE-CZ 3.47Å; K403-F407 HydrophobicContact CG-CD2 4.38Å; K403-F407 HydrophobicContact CG-CE1 4.22Å; K403-F407 HydrophobicContact CG-CE2 3.7Å; K403-F407 HydrophobicContact CG-CZ 3.63Å; K403-F407 WeakPolarHBondContact O-CD2 3.49Å; K403-F407 VanDerWaalsContact O-CG 3.32Å; K403-F407 WeakPolarHBondContact O-CG 3.11Å; K403-F407 PolarHBondContact O-N 3.17Å; A404-F407 WeakPolarHBondContact O-CB 3.37Å; A404-F407 PolarHBondContact O-N 3.01Å; R405-F407 VanDerWaalsContact C-N 3.35Å
408Y89.2Confident84Confident22 Ų2269.9 Ų69.99%0.08635%0.345CS..Hα-helixtrans-68.6-40.4-178.6-165.9-122000112.4H356 L360 Y363 A404 R405 A406 D410 R411H356-Y408 WeakPolarHBondContact CB-OH 3.46Å; H356-Y408 AromaticContact CD2-CE1 3.99Å; H356-Y408 AromaticContact CD2-CZ 3.91Å; H356-Y408 PolarHBondContact CD2-OH 3.15Å; H356-Y408 VanDerWaalsContact CG-OH 3.26Å; L360-Y408 HydrophobicContact CD1-CD1 4.11Å; L360-Y408 HydrophobicContact CD1-CD2 4.26Å; L360-Y408 HydrophobicContact CD1-CG 3.85Å; Y363-Y408 HydrophobicContact CD1-CD2 4.01Å; Y363-Y408 AromaticContact CD2-CD2 3.62Å; Y363-Y408 HydrophobicContact CD2-CD2 3.62Å; Y363-Y408 HydrophobicContact CD2-CE2 4.13Å; Y363-Y408 AromaticContact CE1-CD2 3.85Å; Y363-Y408 HydrophobicContact CE1-CD2 3.85Å; Y363-Y408 AromaticContact CE2-CD2 3.51Å; Y363-Y408 HydrophobicContact CE2-CD2 3.51Å; Y363-Y408 AromaticContact CE2-CE2 3.77Å; Y363-Y408 HydrophobicContact CE2-CE2 3.77Å; Y363-Y408 AromaticContact CG-CD2 3.91Å; Y363-Y408 HydrophobicContact CG-CD2 3.91Å; Y363-Y408 AromaticContact CZ-CD2 3.63Å; A404-Y408 WeakPolarHBondContact O-CB 3.47Å; A404-Y408 PolarHBondContact O-N 3.33Å; R405-Y408 PolarHBondContact O-N 3.31Å; A406-Y408 VanDerWaalsContact C-N 3.3Å; A406-Y408 PolarHBondContact O-N 2.78Å; Y408-D410 VanDerWaalsContact C-N 3.34Å; Y408-D410 PolarHBondContact O-N 2.92Å; Y408-R411 PolarHBondContact O-N 3.05Å
409T83.6Confident83.4Confident82 Ų8271.3 Ų71.350%0.50335%0.352SS..Hα-helixtrans-67.9-35179.1-50.10000111.6R405 A406 R411 Q412R405-T409 PolarHBondContact O-N 2.83Å; R405-T409 PolarHBondContact O-OG1 2.91Å; A406-T409 PolarHBondContact O-N 3.38Å; T409-R411 PolarHBondContact O-N 3.34Å; T409-Q412 PolarHBondContact O-N 3.17Å
410D70.8Confident82.5Confident83 Ų8368.7 Ų68.744%0.44434%0.342SS..THydrogen-bonded Turntrans-66.9-2.3176.4-171.762.3000114.4K307 A406 Y408K307-D410 PolarHBondContact NZ-O 3.42Å; K307-D410 IonicContact NZ-OD2 2.96Å; K307-D410 PolarHBondContact NZ-OD2 2.87Å; A406-D410 PolarHBondContact O-N 3.34Å; Y408-D410 VanDerWaalsContact C-N 3.34Å; Y408-D410 PolarHBondContact O-N 2.92Å
411R63.7Low81.5Confident156 Ų15673.8 Ų73.859%0.58937%0.367SS*.THydrogen-bonded Turntrans-100.5-21.8170.4-171.6176.7-179.8-156.79.3113.2Y363 Y408 T409 I413Y363-R411 WeakPolarHBondContact OH-CD 3.37Å; Y363-R411 PolarHBondContact OH-NH1 3.3Å; Y408-R411 PolarHBondContact O-N 3.05Å; T409-R411 PolarHBondContact O-N 3.34Å; R411-I413 VanDerWaalsContact C-N 3.32Å
412Q53.1Low80.2Confident123 Ų12379.7 Ų79.758%0.57540%0.396SS*.THydrogen-bonded Turntrans-85.6-9-178-64.3-70.9-5.500112.5T409T409-Q412 PolarHBondContact O-N 3.17Å
413I39.1Very low78.9Confident188 Ų18878.6 Ų78.696%0.96439%0.389SS*.  trans-103.30169.1-52174.3000107.3R411R411-I413 VanDerWaalsContact C-N 3.32Å

Retrieved 413 of 413 residues in 299.9 ms (Link to these results)

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