A0A087YJ70_POEFO Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A087YJ70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 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
1M45.4Very low42.5Very low209 Ų209130 Ų130100%1.0362%0.619SS**  0-45.80-71.4-141.9-91.700114.9F3 R5M1-F3 PolarHBondContact O-N 2.94Å; M1-R5 PolarHBondContact O-N 3.1Å; M1-R5 VanDerWaalsContact O-N 3.11Å
2K37.4Very low43.8Very low193 Ų193122.5 Ų122.584%0.83960%0.595SS**Hα-helixtrans-61.1-39.2179.1-72.3-177177.3178.90114.8R5 F6K2-R5 PolarHBondContact O-N 3.34Å; K2-F6 WeakPolarHBondContact O-CB 3.34Å; K2-F6 PolarHBondContact O-N 3.12Å
3F33.1Very low45.1Very low153 Ų153118.3 Ų118.367%0.67158%0.577SS**Hα-helixtrans-69.4-39.9-179.7-161.9-104.8000113.2M1 F6 I7M1-F3 PolarHBondContact O-N 2.94Å; F3-F6 WeakPolarHBondContact O-CB 3.27Å; F3-F6 PolarHBondContact O-N 2.96Å; F3-I7 HydrophobicContact CD1-CD1 3.77Å; F3-I7 HydrophobicContact CE1-CD1 3.62Å; F3-I7 HydrophobicContact CE1-CG1 4.47Å; F3-I7 HydrophobicContact CZ-CD1 4.44Å; F3-I7 WeakPolarHBondContact O-CG1 3.33Å; F3-I7 PolarHBondContact O-N 3.48Å
4V36.1Very low46.3Very low87 Ų87115.1 Ų115.153%0.52758%0.579SS.*Hα-helixtrans-67.2-40.4174.4179.50000111F6 I7 M8V4-F6 VanDerWaalsContact C-N 3.29Å; V4-F6 PolarHBondContact O-N 3.24Å; V4-I7 PolarHBondContact O-N 2.95Å; V4-M8 HydrophobicContact CG1-CG 4.48Å; V4-M8 HydrophobicContact CG1-SD 4.2Å; V4-M8 WeakPolarHBondContact O-CB 3.45Å; V4-M8 WeakPolarHBondContact O-CG 3.42Å; V4-M8 PolarHBondContact O-N 3.27Å
5R39.4Very low48.2Very low208 Ų208112.1 Ų112.179%0.78557%0.565SS**Hα-helixtrans-62.9-35.6173.8-137.7174.9-172.7178.31.4111.7M1 K2 K9M1-R5 PolarHBondContact O-N 3.1Å; M1-R5 VanDerWaalsContact O-N 3.11Å; K2-R5 PolarHBondContact O-N 3.34Å; R5-K9 WeakPolarHBondContact O-CB 3.29Å; R5-K9 PolarHBondContact O-N 3.28Å
6F38.3Very low50.1Low120 Ų120105.4 Ų105.453%0.52653%0.532SS..Hα-helixtrans-67.5-46.1174.4-179.6-100.4000112.4K2 F3 V4 K9 N10K2-F6 WeakPolarHBondContact O-CB 3.34Å; K2-F6 PolarHBondContact O-N 3.12Å; F3-F6 WeakPolarHBondContact O-CB 3.27Å; F3-F6 PolarHBondContact O-N 2.96Å; V4-F6 VanDerWaalsContact C-N 3.29Å; V4-F6 PolarHBondContact O-N 3.24Å; F6-K9 PolarHBondContact O-N 3.41Å; F6-N10 WeakPolarHBondContact CE1-ND2 3.49Å; F6-N10 VanDerWaalsContact CZ-ND2 3.31Å; F6-N10 WeakPolarHBondContact CZ-ND2 3.47Å; F6-N10 WeakPolarHBondContact O-CB 3.5Å; F6-N10 VanDerWaalsContact O-CG 3.3Å; F6-N10 PolarHBondContact O-N 3.47Å; F6-N10 PolarHBondContact O-ND2 2.95Å
7I41.5Very low52.3Low92 Ų92104.4 Ų104.447%0.47254%0.535SS..Hα-helixtrans-63.5-45176.1-68171.8000111.1F3 V4 K9 N10 A11F3-I7 HydrophobicContact CD1-CD1 3.77Å; F3-I7 HydrophobicContact CE1-CD1 3.62Å; F3-I7 HydrophobicContact CE1-CG1 4.47Å; F3-I7 HydrophobicContact CZ-CD1 4.44Å; F3-I7 WeakPolarHBondContact O-CG1 3.33Å; F3-I7 PolarHBondContact O-N 3.48Å; V4-I7 PolarHBondContact O-N 2.95Å; I7-K9 PolarHBondContact O-N 3.49Å; I7-N10 PolarHBondContact O-N 2.69Å; I7-A11 WeakPolarHBondContact O-CB 3.44Å; I7-A11 PolarHBondContact O-N 3.42Å
8M44.4Very low54.4Low133 Ų133106.8 Ų106.866%0.65554%0.541SS*.Hα-helixtrans-64.3-38.6176.9-74.4-177.3140.400112.3V4 A11 A12V4-M8 HydrophobicContact CG1-CG 4.48Å; V4-M8 HydrophobicContact CG1-SD 4.2Å; V4-M8 WeakPolarHBondContact O-CB 3.45Å; V4-M8 WeakPolarHBondContact O-CG 3.42Å; V4-M8 PolarHBondContact O-N 3.27Å; M8-A11 PolarHBondContact O-N 2.71Å; M8-A12 WeakPolarHBondContact O-CB 3.13Å; M8-A12 PolarHBondContact O-N 3.16Å
9K49.8Very low56.4Low109 Ų109104.6 Ų104.647%0.47453%0.528SS..Hα-helixtrans-64-41.2174.7-167.5173.6-177178.30111.4R5 F6 I7 A12 L13R5-K9 WeakPolarHBondContact O-CB 3.29Å; R5-K9 PolarHBondContact O-N 3.28Å; F6-K9 PolarHBondContact O-N 3.41Å; I7-K9 PolarHBondContact O-N 3.49Å; K9-A12 PolarHBondContact O-N 2.99Å; K9-L13 HydrophobicContact CG-CD1 4.28Å; K9-L13 WeakPolarHBondContact O-CB 3.4Å; K9-L13 WeakPolarHBondContact O-CD1 3.44Å; K9-L13 VanDerWaalsContact O-CG 3.28Å; K9-L13 WeakPolarHBondContact O-CG 3.37Å; K9-L13 PolarHBondContact O-N 3.41Å
10N50.9Low58.2Low71 Ų71100.1 Ų100.138%0.3851%0.505SS..Hα-helixtrans-69.8-36.4176.9-70.1-22.6000113F6 I7 L13 A14F6-N10 WeakPolarHBondContact CE1-ND2 3.49Å; F6-N10 VanDerWaalsContact CZ-ND2 3.31Å; F6-N10 WeakPolarHBondContact CZ-ND2 3.47Å; F6-N10 WeakPolarHBondContact O-CB 3.5Å; F6-N10 VanDerWaalsContact O-CG 3.3Å; F6-N10 PolarHBondContact O-N 3.47Å; F6-N10 PolarHBondContact O-ND2 2.95Å; I7-N10 PolarHBondContact O-N 2.69Å; N10-L13 PolarHBondContact O-N 3.02Å; N10-A14 PolarHBondContact O-N 2.95Å
11A51.2Low59.9Low55 Ų5599.1 Ų99.146%0.45550%0.499SS..Hα-helixtrans-69.1-37.3174.100000112.6I7 M8 A14 N15I7-A11 WeakPolarHBondContact O-CB 3.44Å; I7-A11 PolarHBondContact O-N 3.42Å; M8-A11 PolarHBondContact O-N 2.71Å; A11-A14 WeakPolarHBondContact O-CB 3.39Å; A11-A14 PolarHBondContact O-N 2.91Å; A11-N15 PolarHBondContact O-N 3.17Å
12A58.5Low62.3Low40 Ų4093.8 Ų93.833%0.33147%0.471SS..Hα-helixtrans-66.3-40.2172.800000111.9M8 K9 A14 N15 A16 L93M8-A12 WeakPolarHBondContact O-CB 3.13Å; M8-A12 PolarHBondContact O-N 3.16Å; K9-A12 PolarHBondContact O-N 2.99Å; A12-A14 VanDerWaalsContact C-N 3.29Å; A12-A14 PolarHBondContact O-N 3.42Å; A12-N15 PolarHBondContact O-N 3.29Å; A12-N15 VanDerWaalsContact O-N 3.14Å; A12-A16 PolarHBondContact O-N 3.03Å; A12-L93 HydrophobicContact CB-CD1 4.46Å
13L60Low65.1Low68 Ų6885.5 Ų85.536%0.35644%0.436SS..Hα-helixtrans-60.7-36.1172.3-78159.4000112.5K9 N10 N15 A16 L93K9-L13 HydrophobicContact CG-CD1 4.28Å; K9-L13 WeakPolarHBondContact O-CB 3.4Å; K9-L13 WeakPolarHBondContact O-CD1 3.44Å; K9-L13 VanDerWaalsContact O-CG 3.28Å; K9-L13 WeakPolarHBondContact O-CG 3.37Å; K9-L13 PolarHBondContact O-N 3.41Å; N10-L13 PolarHBondContact O-N 3.02Å; L13-N15 PolarHBondContact O-N 3.27Å; L13-A16 VanDerWaalsContact O-CB 3.32Å; L13-A16 WeakPolarHBondContact O-CB 3.46Å; L13-A16 PolarHBondContact O-N 3.24Å; L13-L93 HydrophobicContact CB-CD1 4.48Å; L13-L93 HydrophobicContact CD2-CD1 3.74Å; L13-L93 HydrophobicContact CG-CD1 3.89Å
14A62.6Low68.1Low73 Ų7378.4 Ų78.460%0.60341%0.405SS*.Hα-helixtrans-65.3-25.1175.900000113.5N10 A11 A12N10-A14 PolarHBondContact O-N 2.95Å; A11-A14 WeakPolarHBondContact O-CB 3.39Å; A11-A14 PolarHBondContact O-N 2.91Å; A12-A14 VanDerWaalsContact C-N 3.29Å; A12-A14 PolarHBondContact O-N 3.42Å
15N73.8Confident71Confident70 Ų7081.4 Ų81.437%0.37441%0.411SS..Hα-helixtrans-91.8-7.7176.4-75.3-35.1000113.8A11 A12 L13 P17 K18 H19A11-N15 PolarHBondContact O-N 3.17Å; A12-N15 PolarHBondContact O-N 3.29Å; A12-N15 VanDerWaalsContact O-N 3.14Å; L13-N15 PolarHBondContact O-N 3.27Å; N15-P17 VanDerWaalsContact C-CD 3.44Å; N15-P17 VanDerWaalsContact C-N 3.33Å; N15-K18 WeakPolarHBondContact O-CB 3.38Å; N15-K18 PolarHBondContact O-N 3.14Å; N15-H19 PolarHBondContact O-CD2 2.62Å; N15-H19 VanDerWaalsContact O-CD2 3.24Å; N15-H19 PolarHBondContact O-N 3.32Å
16A78.6Confident73.7Confident5 Ų576.3 Ų76.34%0.04140%0.395CS..Hα-helixtrans-52.2-42.5179.800000113.6A12 L13 K18 H19 I20 L93A12-A16 PolarHBondContact O-N 3.03Å; L13-A16 VanDerWaalsContact O-CB 3.32Å; L13-A16 WeakPolarHBondContact O-CB 3.46Å; L13-A16 PolarHBondContact O-N 3.24Å; A16-K18 VanDerWaalsContact C-N 3.29Å; A16-K18 PolarHBondContact O-N 3.44Å; A16-H19 PolarHBondContact O-N 2.84Å; A16-I20 WeakPolarHBondContact O-CD1 3.32Å; A16-I20 VanDerWaalsContact O-CG1 3.26Å; A16-I20 WeakPolarHBondContact O-CG1 3.28Å; A16-I20 PolarHBondContact O-N 2.77Å; A16-L93 HydrophobicContact CB-CD1 4.48Å; A16-L93 HydrophobicContact CB-CD2 4.33Å
17P88.2Confident76.5Confident88 Ų8874.5 Ų74.557%0.57140%0.397SS*.Hα-helixtrans-58.5-36.6177.1-25.936.2000114.1N15 E21N15-P17 VanDerWaalsContact C-CD 3.44Å; N15-P17 VanDerWaalsContact C-N 3.33Å; P17-E21 WeakPolarHBondContact O-CB 3.48Å; P17-E21 PolarHBondContact O-N 3.08Å
18K90.3Very high79.2Confident149 Ų14970.7 Ų70.765%0.64838%0.378SS*.Hα-helixtrans-68.5-41.2178-67.2179.4179.7171.70111.4N15 A16 E21 H22N15-K18 WeakPolarHBondContact O-CB 3.38Å; N15-K18 PolarHBondContact O-N 3.14Å; A16-K18 VanDerWaalsContact C-N 3.29Å; A16-K18 PolarHBondContact O-N 3.44Å; K18-E21 PolarHBondContact O-N 3.24Å; K18-H22 PolarHBondContact O-N 3.32Å
19H91.6Very high81.7Confident65 Ų6566.8 Ų66.830%0.30136%0.364SS..Hα-helixtrans-65.7-42.9176.3-65.6-62.5000111.6N15 A16 E21 H22 F23 L92 L96N15-H19 PolarHBondContact O-CD2 2.62Å; N15-H19 VanDerWaalsContact O-CD2 3.24Å; N15-H19 PolarHBondContact O-N 3.32Å; A16-H19 PolarHBondContact O-N 2.84Å; H19-E21 VanDerWaalsContact C-N 3.32Å; H19-E21 PolarHBondContact O-N 3.33Å; H19-H22 PolarHBondContact O-N 2.98Å; H19-H22 VanDerWaalsContact O-N 3.16Å; H19-F23 WeakPolarHBondContact O-CD2 3.47Å; H19-F23 PolarHBondContact O-N 3.12Å; H19-L92 HydrophobicContact CB-CD2 4.47Å; H19-L96 HydrophobicContact CB-CD1 3.67Å
20I93.2Very high84Confident13 Ų1364.8 Ų64.87%0.06736%0.362CS..Hα-helixtrans-59-45.6175.7-63.9160.8000110.2A16 H22 S24 M65 K66 L92A16-I20 WeakPolarHBondContact O-CD1 3.32Å; A16-I20 VanDerWaalsContact O-CG1 3.26Å; A16-I20 WeakPolarHBondContact O-CG1 3.28Å; A16-I20 PolarHBondContact O-N 2.77Å; I20-H22 VanDerWaalsContact C-N 3.32Å; I20-H22 PolarHBondContact O-N 3.21Å; I20-S24 WeakPolarHBondContact O-CB 3.49Å; I20-S24 PolarHBondContact O-N 3.02Å; I20-S24 PolarHBondContact O-OG 2.92Å; I20-M65 HydrophobicContact CD1-CE 3.4Å; I20-M65 HydrophobicContact CD1-SD 4.33Å; I20-M65 HydrophobicContact CG1-CE 3.9Å; I20-M65 HydrophobicContact CG1-SD 4.22Å; I20-M65 HydrophobicContact CG2-CB 4.25Å; I20-K66 HydrophobicContact CG2-CD 3.79Å; I20-K66 HydrophobicContact CG2-CG 3.85Å; I20-L92 HydrophobicContact CG1-CD2 3.62Å
21E93.7Very high86.2Confident80 Ų8062.8 Ų62.837%0.37435%0.351SS..Hα-helixtrans-64.7-33.9177.7-174.359-150.500112.9P17 K18 H19 S24 K25 K66P17-E21 WeakPolarHBondContact O-CB 3.48Å; P17-E21 PolarHBondContact O-N 3.08Å; K18-E21 PolarHBondContact O-N 3.24Å; H19-E21 VanDerWaalsContact C-N 3.32Å; H19-E21 PolarHBondContact O-N 3.33Å; E21-S24 PolarHBondContact O-OG 3.2Å; E21-K25 WeakPolarHBondContact O-CD 3.36Å; E21-K25 VanDerWaalsContact O-CE 3.27Å; E21-K25 WeakPolarHBondContact O-CE 3.43Å; E21-K25 WeakPolarHBondContact O-CG 3.18Å; E21-K25 WeakPolarHBondContact OE1-CE 3.27Å; E21-K25 IonicContact OE1-NZ 3.85Å; E21-K66 IonicContact OE2-NZ 2.71Å; E21-K66 PolarHBondContact OE2-NZ 2.97Å
22H95.3Very high88.4Confident97 Ų9760.8 Ų60.845%0.44933%0.334SS..Hα-helixtrans-69.1-55.1174.9178.575000111.6K18 H19 I20 S24 K25 F26K18-H22 PolarHBondContact O-N 3.32Å; H19-H22 PolarHBondContact O-N 2.98Å; H19-H22 VanDerWaalsContact O-N 3.16Å; I20-H22 VanDerWaalsContact C-N 3.32Å; I20-H22 PolarHBondContact O-N 3.21Å; H22-S24 PolarHBondContact O-N 3.19Å; H22-K25 PolarHBondContact O-N 3.38Å; H22-F26 AromaticContact CD2-CE2 3.97Å; H22-F26 AromaticContact CE1-CE2 3.92Å; H22-F26 AromaticContact NE2-CE2 3.64Å; H22-F26 AromaticContact NE2-CZ 4Å; H22-F26 WeakPolarHBondContact O-CD2 3.44Å; H22-F26 WeakPolarHBondContact O-CE2 3.29Å
23F96.4Very high90.2Very high20 Ų2058.9 Ų58.99%0.08832%0.318CS..Hα-helixtrans-74.9-26.2-172-80-75.4000113.8H19 K25 F26 P58 V59 S62 L96 L99H19-F23 WeakPolarHBondContact O-CD2 3.47Å; H19-F23 PolarHBondContact O-N 3.12Å; F23-K25 PolarHBondContact O-N 3.33Å; F23-F26 HydrophobicContact CD1-CD2 4.49Å; F23-F26 PolarHBondContact O-N 3.23Å; F23-P58 HydrophobicContact CD1-CB 3.7Å; F23-P58 HydrophobicContact CD2-CB 4.1Å; F23-P58 HydrophobicContact CE1-CB 3.86Å; F23-P58 HydrophobicContact CE2-CB 4.27Å; F23-P58 HydrophobicContact CG-CB 3.83Å; F23-P58 HydrophobicContact CZ-CB 4.16Å; F23-V59 HydrophobicContact CD1-CG2 3.89Å; F23-S62 VanDerWaalsContact CB-OG 3.28Å; F23-S62 WeakPolarHBondContact CB-OG 3.34Å; F23-L96 HydrophobicContact CD2-CD2 4.07Å; F23-L96 HydrophobicContact CE2-CD2 3.32Å; F23-L96 HydrophobicContact CZ-CD2 3.8Å; F23-L99 HydrophobicContact CE2-CD1 4.3Å; F23-L99 HydrophobicContact CZ-CD1 3.93Å; F23-L99 HydrophobicContact CZ-CD2 4.18Å
24S96.3Very high91.8Very high3 Ų359.5 Ų59.52%0.02132%0.318CS..THydrogen-bonded Turntrans-71-10.9176.359.80000114.7I20 E21 H22 F26 K66I20-S24 WeakPolarHBondContact O-CB 3.49Å; I20-S24 PolarHBondContact O-N 3.02Å; I20-S24 PolarHBondContact O-OG 2.92Å; E21-S24 PolarHBondContact O-OG 3.2Å; H22-S24 PolarHBondContact O-N 3.19Å; S24-F26 VanDerWaalsContact C-N 3.33Å; S24-K66 WeakPolarHBondContact OG-CG 3.46Å
25K96Very high93.3Very high150 Ų15060.8 Ų60.865%0.65231%0.311SS*.THydrogen-bonded Turntrans-78.1-20.5174-68.6170.1-176.5174.10112.6E21 H22 F23E21-K25 WeakPolarHBondContact O-CD 3.36Å; E21-K25 VanDerWaalsContact O-CE 3.27Å; E21-K25 WeakPolarHBondContact O-CE 3.43Å; E21-K25 WeakPolarHBondContact O-CG 3.18Å; E21-K25 WeakPolarHBondContact OE1-CE 3.27Å; E21-K25 IonicContact OE1-NZ 3.85Å; H22-K25 PolarHBondContact O-N 3.38Å; F23-K25 PolarHBondContact O-N 3.33Å
26F97.1Very high94.3Very high102 Ų10258.1 Ų58.145%0.44730%0.296SS..SBendtrans-86145.1177.3-57.6-85.3000110.1H22 F23 S24 V59 N63H22-F26 AromaticContact CD2-CE2 3.97Å; H22-F26 AromaticContact CE1-CE2 3.92Å; H22-F26 AromaticContact NE2-CE2 3.64Å; H22-F26 AromaticContact NE2-CZ 4Å; H22-F26 WeakPolarHBondContact O-CD2 3.44Å; H22-F26 WeakPolarHBondContact O-CE2 3.29Å; F23-F26 HydrophobicContact CD1-CD2 4.49Å; F23-F26 PolarHBondContact O-N 3.23Å; S24-F26 VanDerWaalsContact C-N 3.33Å; F26-V59 HydrophobicContact CB-CG1 3.98Å; F26-V59 HydrophobicContact CB-CG2 3.82Å; F26-V59 HydrophobicContact CD2-CG2 4.47Å; F26-V59 HydrophobicContact CG-CG2 4.4Å; F26-V59 WeakPolarHBondContact O-CG1 3.17Å; F26-N63 PolarHBondContact O-ND2 3.41Å
27S96.5Very high94.9Very high82 Ų8259 Ų5957%0.57330%0.3SS*.PPolyproline II helixtrans-83.9133.1174.2-62.90000109.4
28P98.1Very high94.9Very high11 Ų1157.4 Ų57.47%0.07129%0.287CS..PPolyproline II helixtrans-53.4142.8169.4-27.335.3000112.1P30 E56 V59 R60 L372P28-P30 VanDerWaalsContact O-CD 3.29Å; P28-P30 WeakPolarHBondContact O-CD 3.42Å; P28-E56 WeakPolarHBondContact CA-OE1 3.47Å; P28-V59 HydrophobicContact CG-CG1 4.2Å; P28-R60 HydrophobicContact CB-CG 4.13Å; P28-R60 HydrophobicContact CG-CG 4.47Å; P28-L372 HydrophobicContact CB-CB 4.2Å; P28-L372 HydrophobicContact CB-CD1 3.68Å
29S98Very high94.9Very high52 Ų5253 Ų5336%0.36427%0.268SS..  trans-95.7106.6-179.9-46.80000109.3E56 R60S29-E56 VanDerWaalsContact CB-OE2 3.27Å; S29-E56 WeakPolarHBondContact CB-OE2 3.36Å; S29-E56 PolarHBondContact N-OE1 3.15Å; S29-E56 PolarHBondContact N-OE2 3.22Å; S29-E56 PolarHBondContact OG-OE2 3.46Å; S29-R60 PolarHBondContact O-NH2 2.93Å
30P97.9Very high94.5Very high66 Ų6650.8 Ų50.843%0.42926%0.262SS..  trans-74.6136.6177.530.9-34.3000111P28 I369 E370 L372P28-P30 VanDerWaalsContact O-CD 3.29Å; P28-P30 WeakPolarHBondContact O-CD 3.42Å; P30-I369 HydrophobicContact CB-CG2 4.06Å; P30-E370 HydrophobicContact CB-CB 3.94Å; P30-E370 VanDerWaalsContact CB-O 3.3Å; P30-E370 WeakPolarHBondContact CB-O 3.33Å; P30-L372 HydrophobicContact CB-CD1 4.05Å; P30-L372 HydrophobicContact CB-CG 4.34Å
31L97.4Very high93.8Very high30 Ų3053.1 Ų53.116%0.15728%0.28CS..  trans-106.5147.3174.4-60177.9000111F36 F52 L168 E370L31-F36 HydrophobicContact CB-CD2 4.19Å; L31-F36 HydrophobicContact CB-CE2 3.66Å; L31-F36 HydrophobicContact CB-CZ 3.88Å; L31-F36 HydrophobicContact CD1-CD1 4.38Å; L31-F36 HydrophobicContact CD1-CE1 3.72Å; L31-F36 HydrophobicContact CD1-CE2 4.28Å; L31-F36 HydrophobicContact CD1-CZ 3.66Å; L31-F36 HydrophobicContact CG-CZ 4.36Å; L31-F52 HydrophobicContact CD1-CE1 3.94Å; L31-F52 HydrophobicContact CD1-CZ 3.93Å; L31-F52 HydrophobicContact CD2-CZ 4.3Å; L31-F52 HydrophobicContact CG-CZ 4.31Å; L31-L168 HydrophobicContact CD1-CD2 4.02Å; L31-E370 PolarHBondContact N-OE2 2.78Å; L31-E370 VanDerWaalsContact O-CG 3.31Å; L31-E370 WeakPolarHBondContact O-CG 3.27Å; L31-E370 PolarHBondContact O-N 3.01Å
32S97.1Very high92.7Very high13 Ų1355.6 Ų55.69%0.09129%0.294CS..BIsolated β-bridgetrans-85.6156.7167.972.80000111.9K34 Q35 F36 S368S32-K34 PolarHBondContact O-N 2.67Å; S32-Q35 WeakPolarHBondContact O-CB 3.34Å; S32-Q35 PolarHBondContact O-N 2.85Å; S32-Q35 WeakPolarHBondContact OG-CG 3.15Å; S32-Q35 PolarHBondContact OG-N 2.84Å; S32-Q35 VanDerWaalsContact OG-N 3.09Å; S32-F36 VanDerWaalsContact O-CD2 3.32Å; S32-F36 WeakPolarHBondContact O-CD2 3.46Å; S32-F36 PolarHBondContact O-N 3.35Å; S32-F36 VanDerWaalsContact O-N 3.08Å; S32-S368 CarbonylContact C-O 3.6Å; S32-S368 VanDerWaalsContact CA-O 3.3Å; S32-S368 WeakPolarHBondContact CA-O 3.39Å
33M95.2Very high91.6Very high0 Ų056 Ų560%030%0.299CS..Hα-helixtrans-55.8-37.8170-76.9-167.8176.100111.6Q35 F36 I37 V239 Y240 V241 F341 S368M33-Q35 VanDerWaalsContact C-N 3.35Å; M33-Q35 PolarHBondContact O-N 3.37Å; M33-F36 PolarHBondContact O-N 2.79Å; M33-I37 WeakPolarHBondContact O-CG1 3.49Å; M33-I37 PolarHBondContact O-N 3.39Å; M33-V239 HydrophobicContact CB-CG1 4.43Å; M33-V239 HydrophobicContact SD-CG1 4.27Å; M33-V239 VanDerWaalsContact SD-O 3.38Å; M33-Y240 HydrophobicContact CE-CD2 3.29Å; M33-Y240 HydrophobicContact CE-CE2 3.4Å; M33-Y240 HydrophobicContact CE-CG 4Å; M33-Y240 HydrophobicContact SD-CD2 4Å; M33-Y240 HydrophobicContact SD-CE2 4.5Å; M33-V241 HydrophobicContact CE-CG2 4.48Å; M33-F341 HydrophobicContact CE-CB 4.1Å; M33-F341 HydrophobicContact CE-CD1 4.05Å; M33-F341 HydrophobicContact CE-CD2 3.15Å; M33-F341 HydrophobicContact CE-CE1 4.25Å; M33-F341 HydrophobicContact CE-CE2 3.37Å; M33-F341 HydrophobicContact CE-CG 3.51Å; M33-F341 HydrophobicContact CE-CZ 3.93Å; M33-F341 HydrophobicContact CG-CD1 3.97Å; M33-F341 HydrophobicContact CG-CE1 3.84Å; M33-F341 HydrophobicContact CG-CE2 4.49Å; M33-F341 HydrophobicContact CG-CG 4.37Å; M33-F341 HydrophobicContact CG-CZ 4.11Å; M33-S368 PolarHBondContact N-O 3.43Å
34K93.9Very high90.7Very high81 Ų8157.6 Ų57.635%0.35232%0.317SS..Hα-helixtrans-58.1-45.8173.6177.8167.6176.646.50111.9S32 F36 I37 D38 S365 T366S32-K34 PolarHBondContact O-N 2.67Å; K34-F36 PolarHBondContact O-N 2.92Å; K34-I37 PolarHBondContact O-N 3.38Å; K34-D38 VanDerWaalsContact CE-OD2 3.3Å; K34-D38 WeakPolarHBondContact CE-OD2 3.43Å; K34-D38 VanDerWaalsContact CG-OD2 3.3Å; K34-D38 WeakPolarHBondContact CG-OD2 3.34Å; K34-D38 VanDerWaalsContact NZ-CG 3.32Å; K34-D38 IonicContact NZ-OD1 3.93Å; K34-D38 PolarHBondContact NZ-OD1 3.25Å; K34-D38 IonicContact NZ-OD2 2.73Å; K34-D38 PolarHBondContact NZ-OD2 3.2Å; K34-D38 WeakPolarHBondContact O-CB 3.43Å; K34-D38 PolarHBondContact O-N 2.88Å; K34-S365 PolarHBondContact N-O 2.97Å; K34-S365 VanDerWaalsContact N-O 3.15Å; K34-T366 HydrophobicContact CD-CG2 3.63Å
35Q94.8Very high90.3Very high99 Ų9959.9 Ų59.946%0.46333%0.332SS..Hα-helixtrans-62.8-40.8177.5-73.8172.2-52.700112.2S32 M33 I37 F39S32-Q35 WeakPolarHBondContact O-CB 3.34Å; S32-Q35 PolarHBondContact O-N 2.85Å; S32-Q35 WeakPolarHBondContact OG-CG 3.15Å; S32-Q35 PolarHBondContact OG-N 2.84Å; S32-Q35 VanDerWaalsContact OG-N 3.09Å; M33-Q35 VanDerWaalsContact C-N 3.35Å; M33-Q35 PolarHBondContact O-N 3.37Å; Q35-I37 VanDerWaalsContact C-N 3.35Å; Q35-I37 PolarHBondContact O-N 3.45Å; Q35-F39 WeakPolarHBondContact O-CB 3.44Å; Q35-F39 PolarHBondContact O-N 2.97Å
36F94.1Very high90.1Very high15 Ų1555.1 Ų55.17%0.06631%0.312CS..Hα-helixtrans-60.2-44.1174.6-77.9-67.5000112.2L31 S32 M33 K34 G40 M167 L168 Q171 I191 E370L31-F36 HydrophobicContact CB-CD2 4.19Å; L31-F36 HydrophobicContact CB-CE2 3.66Å; L31-F36 HydrophobicContact CB-CZ 3.88Å; L31-F36 HydrophobicContact CD1-CD1 4.38Å; L31-F36 HydrophobicContact CD1-CE1 3.72Å; L31-F36 HydrophobicContact CD1-CE2 4.28Å; L31-F36 HydrophobicContact CD1-CZ 3.66Å; L31-F36 HydrophobicContact CG-CZ 4.36Å; S32-F36 VanDerWaalsContact O-CD2 3.32Å; S32-F36 WeakPolarHBondContact O-CD2 3.46Å; S32-F36 PolarHBondContact O-N 3.35Å; S32-F36 VanDerWaalsContact O-N 3.08Å; M33-F36 PolarHBondContact O-N 2.79Å; K34-F36 PolarHBondContact O-N 2.92Å; F36-G40 PolarHBondContact O-N 3.06Å; F36-M167 HydrophobicContact CD2-CE 4.12Å; F36-M167 HydrophobicContact CE2-CE 4.13Å; F36-M167 HydrophobicContact CE2-CG 4.39Å; F36-M167 HydrophobicContact CG-CE 4.33Å; F36-M167 HydrophobicContact CZ-CE 4.35Å; F36-M167 HydrophobicContact CZ-CG 4.06Å; F36-L168 HydrophobicContact CE1-CD2 3.83Å; F36-L168 HydrophobicContact CZ-CD2 3.86Å; F36-Q171 HydrophobicContact CD1-CG 3.9Å; F36-Q171 HydrophobicContact CE1-CG 4.02Å; F36-I191 HydrophobicContact CB-CD1 3.37Å; F36-I191 HydrophobicContact CD2-CD1 4.29Å; F36-I191 HydrophobicContact CG-CD1 4Å; F36-E370 HydrophobicContact CE2-CG 4.39Å
37I91Very high89.9Confident23 Ų2354 Ų5412%0.11831%0.307CS..Hα-helixtrans-67.7-51.5179.5-74.2172.3000111.5M33 K34 Q35 F39 G40 S41 I188 I191 V239M33-I37 WeakPolarHBondContact O-CG1 3.49Å; M33-I37 PolarHBondContact O-N 3.39Å; K34-I37 PolarHBondContact O-N 3.38Å; Q35-I37 VanDerWaalsContact C-N 3.35Å; Q35-I37 PolarHBondContact O-N 3.45Å; I37-F39 PolarHBondContact O-N 2.86Å; I37-G40 PolarHBondContact O-N 3.06Å; I37-G40 VanDerWaalsContact O-N 3.15Å; I37-S41 WeakPolarHBondContact O-CB 3.42Å; I37-S41 PolarHBondContact O-N 3.01Å; I37-S41 PolarHBondContact O-OG 3.36Å; I37-I188 HydrophobicContact CB-CD1 4.31Å; I37-I188 HydrophobicContact CG1-CD1 4.25Å; I37-I188 HydrophobicContact CG2-CD1 3.77Å; I37-I191 HydrophobicContact CD1-CG2 3.84Å; I37-I191 HydrophobicContact CG1-CD1 4.46Å; I37-I191 HydrophobicContact CG1-CG2 3.93Å; I37-V239 HydrophobicContact CD1-CB 4.42Å; I37-V239 HydrophobicContact CD1-CG1 3.21Å; I37-V239 HydrophobicContact CD1-CG2 4.38Å
38D90.2Very high89.8Confident54 Ų5453.8 Ų53.829%0.28930%0.302SS..Hα-helixtrans-59.7-35.8-178.1-68.3-11.8000110.1K34 I42K34-D38 VanDerWaalsContact CE-OD2 3.3Å; K34-D38 WeakPolarHBondContact CE-OD2 3.43Å; K34-D38 VanDerWaalsContact CG-OD2 3.3Å; K34-D38 WeakPolarHBondContact CG-OD2 3.34Å; K34-D38 VanDerWaalsContact NZ-CG 3.32Å; K34-D38 IonicContact NZ-OD1 3.93Å; K34-D38 PolarHBondContact NZ-OD1 3.25Å; K34-D38 IonicContact NZ-OD2 2.73Å; K34-D38 PolarHBondContact NZ-OD2 3.2Å; K34-D38 WeakPolarHBondContact O-CB 3.43Å; K34-D38 PolarHBondContact O-N 2.88Å; D38-I42 PolarHBondContact O-N 2.79Å
39F88.7Confident89.6Confident58 Ų5853.9 Ų53.925%0.25430%0.303SS..Hα-helixtrans-67-52.3173.2-179.1-98.9000112.4Q35 I37 S41 N43 A44 C45 T48 F176Q35-F39 WeakPolarHBondContact O-CB 3.44Å; Q35-F39 PolarHBondContact O-N 2.97Å; I37-F39 PolarHBondContact O-N 2.86Å; F39-S41 PolarHBondContact O-N 2.96Å; F39-N43 CarbonylContact O-C 3.6Å; F39-N43 PolarHBondContact O-N 3.43Å; F39-A44 VanDerWaalsContact O-CA 3.26Å; F39-A44 WeakPolarHBondContact O-CA 3.32Å; F39-A44 PolarHBondContact O-N 3.35Å; F39-C45 WeakPolarHBondContact CZ-O 3.48Å; F39-T48 HydrophobicContact CE2-CG2 4.13Å; F39-F176 HydrophobicContact CE1-CE2 4.13Å; F39-F176 AromaticContact CE1-CZ 3.96Å; F39-F176 HydrophobicContact CE1-CZ 3.96Å; F39-F176 HydrophobicContact CZ-CZ 4.18Å
40G82.7Confident89.6Confident17 Ų1751.4 Ų51.418%0.17529%0.286CS..Hα-helixtrans-77.9-15.5-173.300000115.6F36 I37F36-G40 PolarHBondContact O-N 3.06Å; I37-G40 PolarHBondContact O-N 3.06Å; I37-G40 VanDerWaalsContact O-N 3.15Å
41S78.7Confident89.5Confident63 Ų6350.5 Ų50.544%0.44128%0.279SS..Hα-helixtrans-97.2-51.2-179.954.50000113.9I37 F39I37-S41 WeakPolarHBondContact O-CB 3.42Å; I37-S41 PolarHBondContact O-N 3.01Å; I37-S41 PolarHBondContact O-OG 3.36Å; F39-S41 PolarHBondContact O-N 2.96Å
42I71.5Confident89.5Confident131 Ų13152.1 Ų52.167%0.67229%0.285SS*.THydrogen-bonded Turntrans-102.9-36.1-169.5-61166.8000111.3D38D38-I42 PolarHBondContact O-N 2.79Å
43N71.9Confident89.6Confident106 Ų10651.7 Ų51.757%0.56728%0.281SS*.  trans-120.429.7-169-65.7-50.9000112.9F39 C45F39-N43 CarbonylContact O-C 3.6Å; F39-N43 PolarHBondContact O-N 3.43Å; N43-C45 VanDerWaalsContact C-N 3.33Å; N43-C45 WeakPolarHBondContact O-CB 3.26Å; N43-C45 PolarHBondContact O-N 3.03Å
44A78.2Confident89.6Confident54 Ų5453.1 Ų53.145%0.44629%0.287SS..  trans-63.193.4-17400000110.2F39 V175 F176F39-A44 VanDerWaalsContact O-CA 3.26Å; F39-A44 WeakPolarHBondContact O-CA 3.32Å; F39-A44 PolarHBondContact O-N 3.35Å; A44-V175 HydrophobicContact CB-CG1 4.33Å; A44-F176 HydrophobicContact CB-CE1 4.45Å
45C88.5Confident89.8Confident50 Ų5054.6 Ų54.634%0.33830%0.295SS..  trans-123.6104-175.6-178.70000108.6F39 N43 K47 T48 S49F39-C45 WeakPolarHBondContact CZ-O 3.48Å; N43-C45 VanDerWaalsContact C-N 3.33Å; N43-C45 WeakPolarHBondContact O-CB 3.26Å; N43-C45 PolarHBondContact O-N 3.03Å; C45-K47 PolarHBondContact O-N 2.9Å; C45-T48 WeakPolarHBondContact O-CB 3.47Å; C45-T48 PolarHBondContact O-N 3.13Å; C45-T48 PolarHBondContact SG-OG1 3.37Å; C45-T48 VanDerWaalsContact SG-OG1 3.4Å; C45-S49 PolarHBondContact O-N 2.73Å
46E91.3Very high89.9Confident51 Ų5150.2 Ų50.224%0.23828%0.275CS..Hα-helixtrans-54.9-40.9-177.9-170.5178.3-169.500111.6T48 S49 F50 L109 F176E46-T48 VanDerWaalsContact C-N 3.35Å; E46-T48 PolarHBondContact O-N 3.48Å; E46-S49 WeakPolarHBondContact O-CB 3.46Å; E46-S49 PolarHBondContact O-N 3.4Å; E46-F50 WeakPolarHBondContact O-CB 3.29Å; E46-F50 PolarHBondContact O-N 3.39Å; E46-L109 HydrophobicContact CG-CB 4.46Å; E46-L109 HydrophobicContact CG-CD1 4.26Å; E46-L109 HydrophobicContact CG-CD2 4.44Å; E46-F176 HydrophobicContact CB-CD1 3.66Å; E46-F176 HydrophobicContact CB-CD2 4.46Å; E46-F176 HydrophobicContact CB-CE1 3.77Å; E46-F176 HydrophobicContact CB-CG 4.04Å; E46-F176 HydrophobicContact CB-CZ 4.24Å; E46-F176 HydrophobicContact CG-CB 4.12Å; E46-F176 HydrophobicContact CG-CD1 3.98Å; E46-F176 HydrophobicContact CG-CD2 4.2Å; E46-F176 HydrophobicContact CG-CE1 4.47Å; E46-F176 HydrophobicContact CG-CG 3.84Å
47K92.8Very high90.1Very high77 Ų7749.6 Ų49.634%0.33527%0.272SS..Hα-helixtrans-53.9-48.7175.5-168.9-176.8-177.7172.50112.3C45 F50 V51 P103 D104C45-K47 PolarHBondContact O-N 2.9Å; K47-F50 PolarHBondContact O-N 2.85Å; K47-V51 VanDerWaalsContact O-CG2 3.29Å; K47-V51 WeakPolarHBondContact O-CG2 3.34Å; K47-V51 PolarHBondContact O-N 3.34Å; K47-P103 HydrophobicContact CD-CB 4.41Å; K47-P103 HydrophobicContact CG-CB 3.81Å; K47-D104 VanDerWaalsContact CE-OD1 3.32Å; K47-D104 WeakPolarHBondContact CE-OD1 3.5Å; K47-D104 IonicContact NZ-OD1 2.62Å; K47-D104 PolarHBondContact NZ-OD1 3.44Å; K47-D104 IonicContact NZ-OD2 2.84Å; K47-D104 PolarHBondContact NZ-OD2 2.87Å
48T93.3Very high90.5Very high78 Ų7848.5 Ų48.548%0.47927%0.266SS..Hα-helixtrans-66.2-42.8179.8-56.10000110.8F39 C45 E46 V51 F52F39-T48 HydrophobicContact CE2-CG2 4.13Å; C45-T48 WeakPolarHBondContact O-CB 3.47Å; C45-T48 PolarHBondContact O-N 3.13Å; C45-T48 PolarHBondContact SG-OG1 3.37Å; C45-T48 VanDerWaalsContact SG-OG1 3.4Å; E46-T48 VanDerWaalsContact C-N 3.35Å; E46-T48 PolarHBondContact O-N 3.48Å; T48-V51 PolarHBondContact O-N 3.39Å; T48-F52 WeakPolarHBondContact O-CB 3.32Å; T48-F52 PolarHBondContact O-N 3.16Å
49S95.5Very high90.9Very high13 Ų1346.4 Ų46.49%0.09126%0.256CS..Hα-helixtrans-60.9-46.4175.9-164.30000111.8C45 E46 F52 L53 H172C45-S49 PolarHBondContact O-N 2.73Å; E46-S49 WeakPolarHBondContact O-CB 3.46Å; E46-S49 PolarHBondContact O-N 3.4Å; S49-F52 PolarHBondContact O-N 3.37Å; S49-L53 WeakPolarHBondContact O-CB 3.3Å; S49-L53 VanDerWaalsContact O-CG 3.29Å; S49-L53 WeakPolarHBondContact O-CG 3.41Å; S49-L53 PolarHBondContact O-N 3.35Å; S49-H172 WeakPolarHBondContact CB-ND1 3.3Å; S49-H172 PolarHBondContact OG-ND1 3.02Å
50F96.7Very high91.4Very high0 Ų043.8 Ų43.80%024%0.244CC..Hα-helixtrans-58.3-50.1176.7167.9-105.9000111.9E46 K47 F52 L53 R54 F98 K101 P103 V108 L109 F112E46-F50 WeakPolarHBondContact O-CB 3.29Å; E46-F50 PolarHBondContact O-N 3.39Å; K47-F50 PolarHBondContact O-N 2.85Å; F50-F52 VanDerWaalsContact C-N 3.3Å; F50-F52 PolarHBondContact O-N 3.04Å; F50-L53 PolarHBondContact O-N 2.96Å; F50-R54 WeakPolarHBondContact O-CB 3.41Å; F50-R54 VanDerWaalsContact O-CG 3.3Å; F50-R54 WeakPolarHBondContact O-CG 3.21Å; F50-R54 PolarHBondContact O-N 3.43Å; F50-F98 HydrophobicContact CE2-CB 3.93Å; F50-F98 HydrophobicContact CE2-CD1 4Å; F50-F98 HydrophobicContact CE2-CG 4.3Å; F50-F98 HydrophobicContact CZ-CB 4.12Å; F50-F98 HydrophobicContact CZ-CD1 4.44Å; F50-K101 HydrophobicContact CZ-CB 4.44Å; F50-P103 HydrophobicContact CD1-CB 3.8Å; F50-P103 HydrophobicContact CE1-CB 3.89Å; F50-V108 HydrophobicContact CE2-CG1 4.22Å; F50-V108 HydrophobicContact CZ-CG1 3.83Å; F50-L109 HydrophobicContact CB-CD2 3.64Å; F50-L109 HydrophobicContact CD1-CD2 3.88Å; F50-L109 HydrophobicContact CD2-CD2 4.13Å; F50-L109 HydrophobicContact CG-CD2 3.61Å; F50-F112 HydrophobicContact CD2-CB 3.95Å; F50-F112 AromaticContact CD2-CD1 3.54Å; F50-F112 HydrophobicContact CD2-CD1 3.54Å; F50-F112 AromaticContact CD2-CD2 3.94Å; F50-F112 HydrophobicContact CD2-CD2 3.94Å; F50-F112 AromaticContact CD2-CE1 3.89Å; F50-F112 HydrophobicContact CD2-CE1 3.89Å; F50-F112 HydrophobicContact CD2-CE2 4.28Å; F50-F112 AromaticContact CD2-CG 3.54Å; F50-F112 HydrophobicContact CD2-CG 3.54Å; F50-F112 HydrophobicContact CD2-CZ 4.25Å; F50-F112 HydrophobicContact CE2-CB 3.97Å; F50-F112 HydrophobicContact CE2-CD1 4.22Å; F50-F112 AromaticContact CE2-CD2 3.79Å; F50-F112 HydrophobicContact CE2-CD2 3.79Å; F50-F112 HydrophobicContact CE2-CE2 4.28Å; F50-F112 AromaticContact CE2-CG 3.74Å; F50-F112 HydrophobicContact CE2-CG 3.74Å
51V96.6Very high92.1Very high48 Ų4843.1 Ų43.129%0.29124%0.236SC..Hα-helixtrans-62-39.4-179.7170.80000111.5K47 T48 R54 P103K47-V51 VanDerWaalsContact O-CG2 3.29Å; K47-V51 WeakPolarHBondContact O-CG2 3.34Å; K47-V51 PolarHBondContact O-N 3.34Å; T48-V51 PolarHBondContact O-N 3.39Å; V51-R54 WeakPolarHBondContact O-CG 3.45Å; V51-P103 HydrophobicContact CG2-CB 3.82Å; V51-P103 HydrophobicContact CG2-CG 4.29Å
52F97.4Very high93Very high64 Ų6440.1 Ų40.128%0.28122%0.215SC..Hα-helixtrans-66-53.8174.5174.8-103.2000111.7L31 T48 S49 F50 R54 Q55 E56 L168L31-F52 HydrophobicContact CD1-CE1 3.94Å; L31-F52 HydrophobicContact CD1-CZ 3.93Å; L31-F52 HydrophobicContact CD2-CZ 4.3Å; L31-F52 HydrophobicContact CG-CZ 4.31Å; T48-F52 WeakPolarHBondContact O-CB 3.32Å; T48-F52 PolarHBondContact O-N 3.16Å; S49-F52 PolarHBondContact O-N 3.37Å; F50-F52 VanDerWaalsContact C-N 3.3Å; F50-F52 PolarHBondContact O-N 3.04Å; F52-R54 PolarHBondContact O-N 3.45Å; F52-Q55 PolarHBondContact O-N 2.98Å; F52-Q55 VanDerWaalsContact O-N 3.13Å; F52-E56 HydrophobicContact CD1-CB 4.38Å; F52-E56 HydrophobicContact CE1-CB 3.98Å; F52-E56 HydrophobicContact CE1-CG 3.97Å; F52-E56 HydrophobicContact CE2-CB 4.14Å; F52-E56 HydrophobicContact CE2-CG 4.27Å; F52-E56 HydrophobicContact CZ-CB 3.86Å; F52-E56 HydrophobicContact CZ-CG 3.65Å; F52-E56 WeakPolarHBondContact O-CB 3.32Å; F52-E56 PolarHBondContact O-N 3.39Å; F52-L168 HydrophobicContact CE1-CD1 4.46Å; F52-L168 HydrophobicContact CE1-CD2 4.12Å
53L97.9Very high94.3Very high3 Ų334 Ų342%0.01618%0.184CC..Hα-helixtrans-68.4-35.2-172.1-71.8-179.3000113.9S49 F50 Q55 E56 L57 F112 L116 L168 H172S49-L53 WeakPolarHBondContact O-CB 3.3Å; S49-L53 VanDerWaalsContact O-CG 3.29Å; S49-L53 WeakPolarHBondContact O-CG 3.41Å; S49-L53 PolarHBondContact O-N 3.35Å; F50-L53 PolarHBondContact O-N 2.96Å; L53-Q55 PolarHBondContact O-N 2.94Å; L53-Q55 VanDerWaalsContact O-N 3.16Å; L53-E56 PolarHBondContact O-N 3.19Å; L53-L57 HydrophobicContact CB-CD1 4.15Å; L53-L57 HydrophobicContact CB-CG 4.42Å; L53-L57 HydrophobicContact CD2-CD1 4.44Å; L53-L57 HydrophobicContact CD2-CG 4.23Å; L53-L57 VanDerWaalsContact O-CB 3.32Å; L53-L57 WeakPolarHBondContact O-CB 3.36Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.27Å; L53-F112 HydrophobicContact CB-CE1 4.09Å; L53-F112 HydrophobicContact CB-CZ 3.89Å; L53-F112 HydrophobicContact CD1-CE1 4.37Å; L53-L116 HydrophobicContact CD1-CD1 4.22Å; L53-L168 HydrophobicContact CD2-CB 3.72Å; L53-L168 HydrophobicContact CD2-CD1 3.79Å; L53-L168 HydrophobicContact CD2-CD2 4.09Å; L53-L168 HydrophobicContact CD2-CG 4.08Å; L53-H172 HydrophobicContact CD1-CB 3.5Å; L53-H172 VanDerWaalsContact CD1-CB 3.5Å
54R96.5Very high95.6Very high31 Ų3129 Ų2912%0.11716%0.157CC..Hα-helixtrans-64.7-16.5176.175.6-175.9-177.1168.5-2.2113F50 V51 F52 P58 F98 L99 K101 F112F50-R54 WeakPolarHBondContact O-CB 3.41Å; F50-R54 VanDerWaalsContact O-CG 3.3Å; F50-R54 WeakPolarHBondContact O-CG 3.21Å; F50-R54 PolarHBondContact O-N 3.43Å; V51-R54 WeakPolarHBondContact O-CG 3.45Å; F52-R54 PolarHBondContact O-N 3.45Å; R54-P58 WeakPolarHBondContact O-CD 3.25Å; R54-P58 WeakPolarHBondContact O-CG 3.35Å; R54-F98 WeakPolarHBondContact CD-O 3.29Å; R54-F98 PolarHBondContact NH1-O 2.91Å; R54-L99 VanDerWaalsContact CZ-O 3.28Å; R54-L99 PolarHBondContact NH1-O 3.43Å; R54-L99 VanDerWaalsContact NH1-O 3.08Å; R54-L99 VanDerWaalsContact O-CD2 3.32Å; R54-L99 WeakPolarHBondContact O-CD2 3.38Å; R54-K101 PolarHBondContact NH1-O 2.94Å; R54-F112 HydrophobicContact CB-CE2 4.48Å
55Q96.6Very high96.5Very high111 Ų11126.8 Ų26.852%0.51914%0.138SC..Hα-helixtrans-100.8-46.7173.7-65.1-176.2-12.600111.9F52 L53 P58 V59F52-Q55 PolarHBondContact O-N 2.98Å; F52-Q55 VanDerWaalsContact O-N 3.13Å; L53-Q55 PolarHBondContact O-N 2.94Å; L53-Q55 VanDerWaalsContact O-N 3.16Å; Q55-P58 WeakPolarHBondContact O-CD 3.37Å; Q55-V59 WeakPolarHBondContact O-CG2 3.49Å; Q55-V59 PolarHBondContact O-N 3.13Å
56E98.4Very high96.9Very high8 Ų826.4 Ų26.44%0.03713%0.13CC..Hα-helixtrans-70.4-39.4-174.3-177.162.3-155.800112.8P28 S29 F52 L53 V59 R60 L168P28-E56 WeakPolarHBondContact CA-OE1 3.47Å; S29-E56 VanDerWaalsContact CB-OE2 3.27Å; S29-E56 WeakPolarHBondContact CB-OE2 3.36Å; S29-E56 PolarHBondContact N-OE1 3.15Å; S29-E56 PolarHBondContact N-OE2 3.22Å; S29-E56 PolarHBondContact OG-OE2 3.46Å; F52-E56 HydrophobicContact CD1-CB 4.38Å; F52-E56 HydrophobicContact CE1-CB 3.98Å; F52-E56 HydrophobicContact CE1-CG 3.97Å; F52-E56 HydrophobicContact CE2-CB 4.14Å; F52-E56 HydrophobicContact CE2-CG 4.27Å; F52-E56 HydrophobicContact CZ-CB 3.86Å; F52-E56 HydrophobicContact CZ-CG 3.65Å; F52-E56 WeakPolarHBondContact O-CB 3.32Å; F52-E56 PolarHBondContact O-N 3.39Å; L53-E56 PolarHBondContact O-N 3.19Å; E56-V59 WeakPolarHBondContact O-CB 3.42Å; E56-V59 PolarHBondContact O-N 3.35Å; E56-R60 HydrophobicContact CG-CG 4.46Å; E56-R60 PolarHBondContact O-N 3.31Å; E56-R60 WeakPolarHBondContact OE1-CG 3.28Å; E56-R60 IonicContact OE1-CZ 3.82Å; E56-R60 IonicContact OE1-NE 3.45Å; E56-R60 PolarHBondContact OE1-NE 3.2Å; E56-R60 IonicContact OE1-NH2 3.56Å; E56-L168 HydrophobicContact CG-CD1 3.9Å
57L98.4Very high97.2Very high1 Ų124 Ų241%0.00512%0.119CC..Hα-helixtrans-64.4-45179.9-67.2171.9000112.4L53 V59 R60 L61 I95 L116 I165 L168 I169L53-L57 HydrophobicContact CB-CD1 4.15Å; L53-L57 HydrophobicContact CB-CG 4.42Å; L53-L57 HydrophobicContact CD2-CD1 4.44Å; L53-L57 HydrophobicContact CD2-CG 4.23Å; L53-L57 VanDerWaalsContact O-CB 3.32Å; L53-L57 WeakPolarHBondContact O-CB 3.36Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.27Å; L57-V59 VanDerWaalsContact C-N 3.28Å; L57-V59 PolarHBondContact O-N 3.41Å; L57-R60 PolarHBondContact O-N 3.44Å; L57-L61 WeakPolarHBondContact O-CB 3.39Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 3.03Å; L57-I95 HydrophobicContact CB-CD1 3.7Å; L57-I95 HydrophobicContact CD1-CD1 3.92Å; L57-I95 HydrophobicContact CG-CD1 4.44Å; L57-L116 HydrophobicContact CD1-CD2 3.64Å; L57-I165 HydrophobicContact CD2-CG2 4.14Å; L57-L168 HydrophobicContact CD2-CB 4.19Å; L57-L168 HydrophobicContact CD2-CD1 4.02Å; L57-I169 HydrophobicContact CD1-CG1 4.36Å; L57-I169 HydrophobicContact CD2-CG1 4.38Å
58P98.4Very high97.3Very high0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-57.4-37.4171.2-30.238.5000114.1F23 R54 Q55 S62 L92 I95 L96F23-P58 HydrophobicContact CD1-CB 3.7Å; F23-P58 HydrophobicContact CD2-CB 4.1Å; F23-P58 HydrophobicContact CE1-CB 3.86Å; F23-P58 HydrophobicContact CE2-CB 4.27Å; F23-P58 HydrophobicContact CG-CB 3.83Å; F23-P58 HydrophobicContact CZ-CB 4.16Å; R54-P58 WeakPolarHBondContact O-CD 3.25Å; R54-P58 WeakPolarHBondContact O-CG 3.35Å; Q55-P58 WeakPolarHBondContact O-CD 3.37Å; P58-S62 WeakPolarHBondContact O-CB 3.47Å; P58-S62 PolarHBondContact O-N 2.9Å; P58-S62 PolarHBondContact O-OG 3.15Å; P58-L92 HydrophobicContact CB-CD1 3.76Å; P58-L92 HydrophobicContact CG-CD1 4.4Å; P58-I95 HydrophobicContact CG-CB 4.42Å; P58-I95 HydrophobicContact CG-CG2 3.72Å; P58-L96 HydrophobicContact CB-CD2 4.16Å; P58-L96 HydrophobicContact CG-CD2 4.13Å
59V98.5Very high97.3Very high11 Ų1120.9 Ų20.97%0.06710%0.103CC..Hα-helixtrans-63-52.4176.2173.10000110.6F23 F26 P28 Q55 E56 L57 S62 N63F23-V59 HydrophobicContact CD1-CG2 3.89Å; F26-V59 HydrophobicContact CB-CG1 3.98Å; F26-V59 HydrophobicContact CB-CG2 3.82Å; F26-V59 HydrophobicContact CD2-CG2 4.47Å; F26-V59 HydrophobicContact CG-CG2 4.4Å; F26-V59 WeakPolarHBondContact O-CG1 3.17Å; P28-V59 HydrophobicContact CG-CG1 4.2Å; Q55-V59 WeakPolarHBondContact O-CG2 3.49Å; Q55-V59 PolarHBondContact O-N 3.13Å; E56-V59 WeakPolarHBondContact O-CB 3.42Å; E56-V59 PolarHBondContact O-N 3.35Å; L57-V59 VanDerWaalsContact C-N 3.28Å; L57-V59 PolarHBondContact O-N 3.41Å; V59-S62 PolarHBondContact O-N 3.31Å; V59-N63 WeakPolarHBondContact O-CB 3.35Å; V59-N63 PolarHBondContact O-N 2.97Å; V59-N63 PolarHBondContact O-ND2 3.05Å
60R98.6Very high97.3Very high3 Ų322.9 Ų22.91%0.01111%0.112CC..Hα-helixtrans-61.6-46.1179.7-66.7-174.7-174.6-160.44.6112P28 S29 E56 L57 I64 S164 I165 L168 E370P28-R60 HydrophobicContact CB-CG 4.13Å; P28-R60 HydrophobicContact CG-CG 4.47Å; S29-R60 PolarHBondContact O-NH2 2.93Å; E56-R60 HydrophobicContact CG-CG 4.46Å; E56-R60 PolarHBondContact O-N 3.31Å; E56-R60 WeakPolarHBondContact OE1-CG 3.28Å; E56-R60 IonicContact OE1-CZ 3.82Å; E56-R60 IonicContact OE1-NE 3.45Å; E56-R60 PolarHBondContact OE1-NE 3.2Å; E56-R60 IonicContact OE1-NH2 3.56Å; L57-R60 PolarHBondContact O-N 3.44Å; R60-I64 PolarHBondContact O-N 3.42Å; R60-S164 PolarHBondContact NH1-O 3.48Å; R60-S164 PolarHBondContact NH1-OG 2.94Å; R60-S164 VanDerWaalsContact NH1-OG 3.14Å; R60-I165 HydrophobicContact CB-CD1 4.18Å; R60-I165 HydrophobicContact CB-CG1 3.95Å; R60-L168 VanDerWaalsContact CZ-CD1 3.4Å; R60-E370 IonicContact CZ-OE1 2.94Å; R60-E370 IonicContact CZ-OE2 2.75Å; R60-E370 IonicContact NH1-OE1 2.72Å; R60-E370 PolarHBondContact NH1-OE1 2.98Å; R60-E370 IonicContact NH1-OE2 2.87Å; R60-E370 IonicContact NH2-OE1 3.56Å; R60-E370 PolarHBondContact NH2-OE1 2.9Å; R60-E370 IonicContact NH2-OE2 3.76Å; R60-E370 PolarHBondContact NH2-OE2 3.27Å
61L98.4Very high97.1Very high2 Ų223.1 Ų23.11%0.0111%0.114CC..Hα-helixtrans-59.8-48.5176.5-72.2169.1000111.4L57 I64 M65 Y88 L92 I95 I165L57-L61 WeakPolarHBondContact O-CB 3.39Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 3.03Å; L61-I64 WeakPolarHBondContact O-CG2 3.32Å; L61-I64 PolarHBondContact O-N 2.96Å; L61-M65 HydrophobicContact CB-SD 4.45Å; L61-M65 WeakPolarHBondContact O-CB 3.44Å; L61-M65 WeakPolarHBondContact O-CG 3.41Å; L61-M65 PolarHBondContact O-N 2.9Å; L61-Y88 HydrophobicContact CD2-CD1 3.45Å; L61-Y88 VanDerWaalsContact CD2-CD1 3.45Å; L61-Y88 HydrophobicContact CD2-CE1 3.75Å; L61-Y88 HydrophobicContact CD2-CG 4.39Å; L61-L92 HydrophobicContact CD1-CB 4.33Å; L61-I95 HydrophobicContact CD1-CD1 3.78Å; L61-I165 HydrophobicContact CD2-CD1 3.8Å; L61-I165 HydrophobicContact CG-CD1 4.2Å
62S98.2Very high96.8Very high0 Ų022.4 Ų22.40%011%0.11CC..Hα-helixtrans-69.9-37.2-175.1-59.40000112.8F23 P58 V59 M65 K66F23-S62 VanDerWaalsContact CB-OG 3.28Å; F23-S62 WeakPolarHBondContact CB-OG 3.34Å; P58-S62 WeakPolarHBondContact O-CB 3.47Å; P58-S62 PolarHBondContact O-N 2.9Å; P58-S62 PolarHBondContact O-OG 3.15Å; V59-S62 PolarHBondContact O-N 3.31Å; S62-M65 PolarHBondContact O-N 3.43Å; S62-K66 WeakPolarHBondContact O-CG 3.3Å; S62-K66 PolarHBondContact O-N 3.31Å
63N98.3Very high96.5Very high2 Ų225.6 Ų25.61%0.01113%0.13CC..Hα-helixtrans-56.5-52.3174-90.7-99.4000110.6F26 V59 K66 E67 Y375F26-N63 PolarHBondContact O-ND2 3.41Å; V59-N63 WeakPolarHBondContact O-CB 3.35Å; V59-N63 PolarHBondContact O-N 2.97Å; V59-N63 PolarHBondContact O-ND2 3.05Å; N63-K66 PolarHBondContact O-N 3.49Å; N63-E67 PolarHBondContact O-N 3.26Å; N63-Y375 WeakPolarHBondContact OD1-CB 3.3Å; N63-Y375 PolarHBondContact OD1-N 3.29Å
64I98.2Very high96.2Very high1 Ų130.7 Ų30.71%0.00515%0.152CC..Hα-helixtrans-72.3-33.7-178.4-164.264.5000112.6R60 L61 K66 E67 I68 Y88 F154 R157 F158R60-I64 PolarHBondContact O-N 3.42Å; L61-I64 WeakPolarHBondContact O-CG2 3.32Å; L61-I64 PolarHBondContact O-N 2.96Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 3.35Å; I64-E67 HydrophobicContact CD1-CB 4.32Å; I64-E67 PolarHBondContact O-N 3.21Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 3.48Å; I64-Y88 HydrophobicContact CG2-CD1 4.18Å; I64-Y88 HydrophobicContact CG2-CE1 3.77Å; I64-F154 HydrophobicContact CD1-CE2 4.4Å; I64-R157 HydrophobicContact CD1-CB 4.43Å; I64-F158 VanDerWaalsContact CD1-CA 3.48Å; I64-F158 HydrophobicContact CD1-CB 4.04Å; I64-F158 HydrophobicContact CD1-CD2 4.34Å; I64-F158 HydrophobicContact CG1-CB 4.27Å; I64-F158 HydrophobicContact CG1-CD2 3.67Å; I64-F158 HydrophobicContact CG1-CG 4.44Å
65M97.6Very high96Very high8 Ų829.2 Ų29.24%0.03915%0.146CC..Hα-helixtrans-62.3-34.3174.9-73.1170.880.600112.7I20 L61 S62 E67 I68 N69 Y88 S89 L92I20-M65 HydrophobicContact CD1-CE 3.4Å; I20-M65 HydrophobicContact CD1-SD 4.33Å; I20-M65 HydrophobicContact CG1-CE 3.9Å; I20-M65 HydrophobicContact CG1-SD 4.22Å; I20-M65 HydrophobicContact CG2-CB 4.25Å; L61-M65 HydrophobicContact CB-SD 4.45Å; L61-M65 WeakPolarHBondContact O-CB 3.44Å; L61-M65 WeakPolarHBondContact O-CG 3.41Å; L61-M65 PolarHBondContact O-N 2.9Å; S62-M65 PolarHBondContact O-N 3.43Å; M65-E67 VanDerWaalsContact C-N 3.31Å; M65-I68 PolarHBondContact O-N 3.09Å; M65-N69 PolarHBondContact O-N 3.39Å; M65-N69 PolarHBondContact O-ND2 2.94Å; M65-Y88 HydrophobicContact CG-CD1 4.12Å; M65-Y88 HydrophobicContact CG-CG 4.39Å; M65-S89 VanDerWaalsContact CE-OG 3.28Å; M65-S89 WeakPolarHBondContact CE-OG 3.41Å; M65-L92 HydrophobicContact SD-CD2 4.19Å
66K96.8Very high95.9Very high43 Ų4325.1 Ų25.119%0.18713%0.128CC..Hα-helixtrans-62.6-39.5171.7-75.2-67.9-65.4-164.10111.9I20 E21 S24 S62 N63 I64 N69 Y375I20-K66 HydrophobicContact CG2-CD 3.79Å; I20-K66 HydrophobicContact CG2-CG 3.85Å; E21-K66 IonicContact OE2-NZ 2.71Å; E21-K66 PolarHBondContact OE2-NZ 2.97Å; S24-K66 WeakPolarHBondContact OG-CG 3.46Å; S62-K66 WeakPolarHBondContact O-CG 3.3Å; S62-K66 PolarHBondContact O-N 3.31Å; N63-K66 PolarHBondContact O-N 3.49Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 3.35Å; K66-N69 PolarHBondContact O-N 3.28Å; K66-Y375 HydrophobicContact CB-CD1 3.79Å; K66-Y375 HydrophobicContact CB-CD2 3.91Å; K66-Y375 HydrophobicContact CB-CE1 3.81Å; K66-Y375 HydrophobicContact CB-CE2 3.93Å; K66-Y375 HydrophobicContact CB-CG 3.82Å; K66-Y375 HydrophobicContact CD-CE1 4.34Å; K66-Y375 WeakPolarHBondContact CE-OH 3.25Å; K66-Y375 HydrophobicContact CG-CD1 3.96Å; K66-Y375 HydrophobicContact CG-CE1 3.91Å; K66-Y375 HydrophobicContact CG-CG 4.46Å
67E97.1Very high95.7Very high0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-72.6-33.8177.8-67.9-174.1-123.300112.8N63 I64 M65 N69 L70 F154 R157 Y375 Y383N63-E67 PolarHBondContact O-N 3.26Å; I64-E67 HydrophobicContact CD1-CB 4.32Å; I64-E67 PolarHBondContact O-N 3.21Å; M65-E67 VanDerWaalsContact C-N 3.31Å; E67-N69 PolarHBondContact O-N 3.29Å; E67-L70 WeakPolarHBondContact O-CB 3.3Å; E67-L70 PolarHBondContact O-N 3.44Å; E67-F154 HydrophobicContact CB-CD2 4.31Å; E67-F154 HydrophobicContact CB-CE2 4.49Å; E67-R157 IonicContact OE1-CZ 2.79Å; E67-R157 IonicContact OE1-NE 3.73Å; E67-R157 PolarHBondContact OE1-NE 2.97Å; E67-R157 IonicContact OE1-NH2 2.67Å; E67-R157 PolarHBondContact OE1-NH2 2.88Å; E67-R157 IonicContact OE2-CZ 3.59Å; E67-R157 IonicContact OE2-NE 3.55Å; E67-R157 PolarHBondContact OE2-NE 3.44Å; E67-R157 IonicContact OE2-NH2 3.39Å; E67-R157 PolarHBondContact OE2-NH2 2.73Å; E67-Y375 HydrophobicContact CG-CD2 3.62Å; E67-Y375 HydrophobicContact CG-CE2 4.35Å; E67-Y375 HydrophobicContact CG-CG 4.46Å; E67-Y383 HydrophobicContact CB-CE2 4.23Å; E67-Y383 HydrophobicContact CG-CE2 4.03Å; E67-Y383 PolarHBondContact OE2-OH 3.42Å; E67-Y383 VanDerWaalsContact OE2-OH 3.05Å
68I96Very high95.5Very high4 Ų429.3 Ų29.32%0.02115%0.154CC..Hα-helixtrans-55.2-46.5170.4-63.5170.5000109.3I64 M65 L70 L71 L76 Q85 F154 F158I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 3.48Å; M65-I68 PolarHBondContact O-N 3.09Å; I68-L70 PolarHBondContact O-N 3.45Å; I68-L71 HydrophobicContact CG2-CD1 4.44Å; I68-L71 VanDerWaalsContact O-CB 3.28Å; I68-L71 WeakPolarHBondContact O-CB 3.42Å; I68-L71 WeakPolarHBondContact O-CG 3.31Å; I68-L71 PolarHBondContact O-N 3.34Å; I68-L76 HydrophobicContact CG2-CD2 3.97Å; I68-L76 WeakPolarHBondContact O-CD2 3.46Å; I68-Q85 HydrophobicContact CG2-CG 3.64Å; I68-F154 HydrophobicContact CB-CE2 4.2Å; I68-F154 HydrophobicContact CB-CZ 4.45Å; I68-F154 HydrophobicContact CG1-CE2 3.57Å; I68-F154 HydrophobicContact CG1-CZ 3.62Å; I68-F158 HydrophobicContact CD1-CD2 4.33Å; I68-F158 HydrophobicContact CD1-CE2 3.98Å; I68-F158 HydrophobicContact CG1-CD2 4.41Å
69N94.1Very high95.4Very high85 Ų8533.5 Ų33.546%0.45518%0.182SC..THydrogen-bonded Turntrans-68.7-3.1-179.8-62.9-20000114.4M65 K66 E67 Q85M65-N69 PolarHBondContact O-N 3.39Å; M65-N69 PolarHBondContact O-ND2 2.94Å; K66-N69 PolarHBondContact O-N 3.28Å; E67-N69 PolarHBondContact O-N 3.29Å; N69-Q85 PolarHBondContact OD1-NE2 3.01Å; N69-Q85 VanDerWaalsContact OD1-NE2 3.11Å
70L94.1Very high95.3Very high55 Ų5533.7 Ų33.729%0.28818%0.184SC..THydrogen-bonded Turntrans-98.4-4.4172.4-63.2-179.6000113.1E67 I68 Y375 L380 Y383E67-L70 WeakPolarHBondContact O-CB 3.3Å; E67-L70 PolarHBondContact O-N 3.44Å; I68-L70 PolarHBondContact O-N 3.45Å; L70-Y375 HydrophobicContact CD1-CE2 3.81Å; L70-L380 HydrophobicContact CD1-CD1 3.57Å; L70-L380 HydrophobicContact CD2-CD1 3.78Å; L70-L380 HydrophobicContact CG-CD1 4.36Å; L70-Y383 HydrophobicContact CB-CD1 4.15Å; L70-Y383 HydrophobicContact CB-CD2 4.12Å; L70-Y383 HydrophobicContact CB-CE2 4.5Å; L70-Y383 HydrophobicContact CB-CG 3.94Å; L70-Y383 HydrophobicContact CD1-CD2 3.48Å; L70-Y383 VanDerWaalsContact CD1-CD2 3.48Å; L70-Y383 HydrophobicContact CD1-CE2 3.98Å; L70-Y383 HydrophobicContact CD1-CG 4.02Å; L70-Y383 HydrophobicContact CG-CD2 4.48Å
71L92.8Very high95.2Very high5 Ų533.6 Ų33.63%0.02618%0.183CC..SBendtrans-63.5156.7172.5-71.3175.6000111I68 D73 L75 L76 M130 F154I68-L71 HydrophobicContact CG2-CD1 4.44Å; I68-L71 VanDerWaalsContact O-CB 3.28Å; I68-L71 WeakPolarHBondContact O-CB 3.42Å; I68-L71 WeakPolarHBondContact O-CG 3.31Å; I68-L71 PolarHBondContact O-N 3.34Å; L71-D73 PolarHBondContact O-N 2.8Å; L71-L75 HydrophobicContact CB-CD2 4.35Å; L71-L75 HydrophobicContact CD1-CD2 3.98Å; L71-L75 HydrophobicContact CD2-CD2 4.14Å; L71-L75 HydrophobicContact CG-CD2 4.4Å; L71-L76 HydrophobicContact CB-CD2 4.16Å; L71-L76 HydrophobicContact CB-CG 4.09Å; L71-L76 WeakPolarHBondContact O-CD1 3.43Å; L71-M130 HydrophobicContact CD1-CE 4.1Å; L71-F154 HydrophobicContact CD1-CD1 3.86Å; L71-F154 HydrophobicContact CD1-CD2 4.28Å; L71-F154 HydrophobicContact CD1-CE1 3.75Å; L71-F154 HydrophobicContact CD1-CE2 4.17Å; L71-F154 HydrophobicContact CD1-CG 4.15Å; L71-F154 HydrophobicContact CD1-CZ 3.91Å; L71-F154 HydrophobicContact CD2-CB 3.74Å; L71-F154 HydrophobicContact CD2-CD1 3.8Å; L71-F154 HydrophobicContact CD2-CD2 4.1Å; L71-F154 HydrophobicContact CD2-CG 3.57Å; L71-F154 HydrophobicContact CG-CD1 4.26Å; L71-F154 HydrophobicContact CG-CD2 4.17Å; L71-F154 HydrophobicContact CG-CE2 4.45Å; L71-F154 HydrophobicContact CG-CG 4.08Å
72P91Very high95.1Very high34 Ų3436.8 Ų36.822%0.22120%0.198CC..  trans-54.2136.5175.8-21.829.7000111.8K74 L75 L76 T147P72-K74 PolarHBondContact O-N 2.74Å; P72-K74 VanDerWaalsContact O-N 3.09Å; P72-L75 WeakPolarHBondContact O-CA 3.48Å; P72-L75 WeakPolarHBondContact O-CB 3.41Å; P72-L75 PolarHBondContact O-N 2.89Å; P72-L76 PolarHBondContact O-N 2.81Å; P72-T147 HydrophobicContact CG-CG2 3.58Å
73D90.7Very high95Very high131 Ų13140.4 Ų40.470%0.70122%0.216SC*.Hα-helixtrans-51.7-40.1-178.1-66.4-28000112.3L71 L75 L76 T77L71-D73 PolarHBondContact O-N 2.8Å; D73-L75 VanDerWaalsContact C-N 3.33Å; D73-L75 PolarHBondContact O-N 2.7Å; D73-L76 CarbonylContact O-C 3.45Å; D73-L76 WeakPolarHBondContact O-CB 3.44Å; D73-L76 PolarHBondContact O-N 3.39Å; D73-L76 VanDerWaalsContact O-N 3.13Å; D73-T77 WeakPolarHBondContact O-CG2 3.34Å; D73-T77 PolarHBondContact O-N 3.05Å
74K91.7Very high95Very high109 Ų10940.4 Ų40.447%0.47422%0.216SC..Hα-helixtrans-57.4-43.1176.2-69.9174.5174.2-177.20112.5P72 T77 Y137 F141P72-K74 PolarHBondContact O-N 2.74Å; P72-K74 VanDerWaalsContact O-N 3.09Å; K74-T77 PolarHBondContact O-N 3.05Å; K74-T77 PolarHBondContact O-OG1 3.09Å; K74-Y137 HydrophobicContact CB-CD2 4.16Å; K74-Y137 HydrophobicContact CB-CE2 3.9Å; K74-F141 HydrophobicContact CB-CD2 4.1Å; K74-F141 HydrophobicContact CB-CE1 4.36Å; K74-F141 HydrophobicContact CB-CE2 3.78Å; K74-F141 HydrophobicContact CB-CZ 3.91Å; K74-F141 HydrophobicContact CD-CD1 3.62Å; K74-F141 HydrophobicContact CD-CD2 4.4Å; K74-F141 HydrophobicContact CD-CE1 3.64Å; K74-F141 HydrophobicContact CD-CE2 4.44Å; K74-F141 HydrophobicContact CD-CG 4Å; K74-F141 HydrophobicContact CD-CZ 4.06Å; K74-F141 HydrophobicContact CG-CD1 4.37Å; K74-F141 HydrophobicContact CG-CE1 3.96Å; K74-F141 HydrophobicContact CG-CE2 4.28Å; K74-F141 HydrophobicContact CG-CZ 3.9Å
75L92.5Very high94.9Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-70.2-39.4176.1178.759.4000110.9L71 P72 D73 T77 T78 V81 G133 Y137 I151L71-L75 HydrophobicContact CB-CD2 4.35Å; L71-L75 HydrophobicContact CD1-CD2 3.98Å; L71-L75 HydrophobicContact CD2-CD2 4.14Å; L71-L75 HydrophobicContact CG-CD2 4.4Å; P72-L75 WeakPolarHBondContact O-CA 3.48Å; P72-L75 WeakPolarHBondContact O-CB 3.41Å; P72-L75 PolarHBondContact O-N 2.89Å; D73-L75 VanDerWaalsContact C-N 3.33Å; D73-L75 PolarHBondContact O-N 2.7Å; L75-T77 PolarHBondContact O-N 3.48Å; L75-T78 HydrophobicContact CD1-CG2 4.32Å; L75-T78 WeakPolarHBondContact O-CB 3.42Å; L75-T78 WeakPolarHBondContact O-CG2 3.4Å; L75-T78 PolarHBondContact O-N 3.05Å; L75-T78 VanDerWaalsContact O-N 3.12Å; L75-T78 PolarHBondContact O-OG1 2.88Å; L75-V81 HydrophobicContact CD1-CG2 3.89Å; L75-V81 HydrophobicContact CG-CG2 4.19Å; L75-G133 WeakPolarHBondContact CD1-O 3.28Å; L75-Y137 HydrophobicContact CB-CD2 3.97Å; L75-Y137 HydrophobicContact CB-CE2 4.49Å; L75-Y137 HydrophobicContact CB-CG 4.29Å; L75-Y137 HydrophobicContact CD1-CG 4.07Å; L75-I151 HydrophobicContact CD2-CD1 3.98Å; L75-I151 HydrophobicContact CD2-CG1 3.91Å
76L94.3Very high94.9Very high26 Ų2648.3 Ų48.314%0.13625%0.247CC..Hα-helixtrans-62.8-26.5175.7-72.5177.5000113.6I68 L71 P72 D73 T78 V81 Q82I68-L76 HydrophobicContact CG2-CD2 3.97Å; I68-L76 WeakPolarHBondContact O-CD2 3.46Å; L71-L76 HydrophobicContact CB-CD2 4.16Å; L71-L76 HydrophobicContact CB-CG 4.09Å; L71-L76 WeakPolarHBondContact O-CD1 3.43Å; P72-L76 PolarHBondContact O-N 2.81Å; D73-L76 CarbonylContact O-C 3.45Å; D73-L76 WeakPolarHBondContact O-CB 3.44Å; D73-L76 PolarHBondContact O-N 3.39Å; D73-L76 VanDerWaalsContact O-N 3.13Å; L76-T78 VanDerWaalsContact C-N 3.29Å; L76-V81 HydrophobicContact CD2-CG1 4.03Å; L76-Q82 VanDerWaalsContact O-CG 3.27Å; L76-Q82 WeakPolarHBondContact O-CG 3.35Å
77T94.3Very high94.9Very high87 Ų8748.6 Ų48.653%0.53425%0.247SC..THydrogen-bonded Turntrans-78-11.2176.159.10000114.3D73 K74 L75D73-T77 WeakPolarHBondContact O-CG2 3.34Å; D73-T77 PolarHBondContact O-N 3.05Å; K74-T77 PolarHBondContact O-N 3.05Å; K74-T77 PolarHBondContact O-OG1 3.09Å; L75-T77 PolarHBondContact O-N 3.48Å
78T94.8Very high94.9Very high9 Ų948.6 Ų48.66%0.05525%0.247CC..SBendtrans-66.2134.3-179.864.50000110.9L75 L76 S80 V81 Q82 E136L75-T78 HydrophobicContact CD1-CG2 4.32Å; L75-T78 WeakPolarHBondContact O-CB 3.42Å; L75-T78 WeakPolarHBondContact O-CG2 3.4Å; L75-T78 PolarHBondContact O-N 3.05Å; L75-T78 VanDerWaalsContact O-N 3.12Å; L75-T78 PolarHBondContact O-OG1 2.88Å; L76-T78 VanDerWaalsContact C-N 3.29Å; T78-S80 PolarHBondContact O-N 2.8Å; T78-S80 VanDerWaalsContact O-N 3.16Å; T78-V81 PolarHBondContact O-N 3.37Å; T78-V81 VanDerWaalsContact OG1-CB 3.31Å; T78-V81 WeakPolarHBondContact OG1-CB 3.34Å; T78-V81 WeakPolarHBondContact OG1-CG2 3.43Å; T78-Q82 WeakPolarHBondContact O-CG 3.35Å; T78-Q82 PolarHBondContact O-N 3.13Å; T78-Q82 VanDerWaalsContact O-N 3.09Å; T78-E136 VanDerWaalsContact CB-OE2 3.3Å; T78-E136 WeakPolarHBondContact CB-OE2 3.38Å; T78-E136 HydrophobicContact CG2-CB 4.08Å
79P95.9Very high94.9Very high89 Ų8949.5 Ų49.558%0.57825%0.254SS*.Hα-helixtrans-53.5-38.2-177.4-28.334.2000113.5Q82 M83 E136P79-Q82 PolarHBondContact O-N 3.38Å; P79-M83 PolarHBondContact O-N 2.94Å; P79-E136 WeakPolarHBondContact CD-OE2 3.38Å
80S95.8Very high95Very high15 Ų1548.2 Ų48.211%0.10525%0.245CC..Hα-helixtrans-67.9-43.7-179.2-73.50000112.8T78 M83 V84 T129 E136T78-S80 PolarHBondContact O-N 2.8Å; T78-S80 VanDerWaalsContact O-N 3.16Å; S80-M83 WeakPolarHBondContact O-CB 3.33Å; S80-M83 PolarHBondContact O-N 3.35Å; S80-V84 PolarHBondContact O-N 3.24Å; S80-V84 VanDerWaalsContact O-N 3.17Å; S80-T129 WeakPolarHBondContact CB-O 3.3Å; S80-T129 WeakPolarHBondContact O-CG2 3.41Å; S80-E136 WeakPolarHBondContact CB-OE1 3.21Å; S80-E136 WeakPolarHBondContact CB-OE2 3.09Å; S80-E136 PolarHBondContact N-OE2 2.91Å; S80-E136 PolarHBondContact OG-OE1 3.42Å; S80-E136 PolarHBondContact OG-OE2 2.74Å
81V96.1Very high95.2Very high1 Ų145.6 Ų45.61%0.00623%0.231CC..Hα-helixtrans-66.3-39.8176.2174.30000111.2L75 L76 T78 M83 V84 Q85 M130L75-V81 HydrophobicContact CD1-CG2 3.89Å; L75-V81 HydrophobicContact CG-CG2 4.19Å; L76-V81 HydrophobicContact CD2-CG1 4.03Å; T78-V81 PolarHBondContact O-N 3.37Å; T78-V81 VanDerWaalsContact OG1-CB 3.31Å; T78-V81 WeakPolarHBondContact OG1-CB 3.34Å; T78-V81 WeakPolarHBondContact OG1-CG2 3.43Å; V81-M83 VanDerWaalsContact C-N 3.28Å; V81-M83 PolarHBondContact O-N 3.41Å; V81-V84 PolarHBondContact O-N 3.02Å; V81-Q85 PolarHBondContact O-N 3.09Å; V81-M130 HydrophobicContact CG2-CE 3.87Å; V81-M130 HydrophobicContact CG2-SD 4.04Å
82Q96.8Very high95.4Very high68 Ų6845.3 Ų45.332%0.31823%0.23SC..Hα-helixtrans-61.9-37.3175-68.2-176.8-8.500112.2L76 T78 P79 Q85 R86L76-Q82 VanDerWaalsContact O-CG 3.27Å; L76-Q82 WeakPolarHBondContact O-CG 3.35Å; T78-Q82 WeakPolarHBondContact O-CG 3.35Å; T78-Q82 PolarHBondContact O-N 3.13Å; T78-Q82 VanDerWaalsContact O-N 3.09Å; P79-Q82 PolarHBondContact O-N 3.38Å; Q82-Q85 PolarHBondContact O-N 3.02Å; Q82-R86 VanDerWaalsContact O-CG 3.31Å; Q82-R86 WeakPolarHBondContact O-CG 3.29Å; Q82-R86 PolarHBondContact O-N 3.25Å
83M96.9Very high95.7Very high76 Ų7645.3 Ų45.337%0.37423%0.228SC..Hα-helixtrans-61-47175.1-168.968.578.500111.1P79 S80 V81 Q85 R86 W87 T129P79-M83 PolarHBondContact O-N 2.94Å; S80-M83 WeakPolarHBondContact O-CB 3.33Å; S80-M83 PolarHBondContact O-N 3.35Å; V81-M83 VanDerWaalsContact C-N 3.28Å; V81-M83 PolarHBondContact O-N 3.41Å; M83-Q85 PolarHBondContact O-N 2.86Å; M83-R86 WeakPolarHBondContact O-CB 3.41Å; M83-R86 PolarHBondContact O-N 3.49Å; M83-W87 HydrophobicContact CG-CD2 4.24Å; M83-W87 HydrophobicContact CG-CH2 4.02Å; M83-W87 HydrophobicContact CG-CZ2 3.49Å; M83-W87 VanDerWaalsContact CG-CZ2 3.49Å; M83-W87 PolarHBondContact O-N 3.43Å; M83-W87 HydrophobicContact SD-CZ2 4.35Å; M83-T129 HydrophobicContact CB-CG2 4.36Å
84V97.6Very high95.9Very high2 Ų241.5 Ų41.51%0.01221%0.206CC..Hα-helixtrans-60.4-45.4176.4174.40000111S80 V81 R86 W87 Y88 V126 T129 F158S80-V84 PolarHBondContact O-N 3.24Å; S80-V84 VanDerWaalsContact O-N 3.17Å; V81-V84 PolarHBondContact O-N 3.02Å; V84-R86 VanDerWaalsContact C-N 3.29Å; V84-R86 PolarHBondContact O-N 3.14Å; V84-W87 HydrophobicContact CG2-CE3 4.22Å; V84-W87 HydrophobicContact CG2-CZ3 4.19Å; V84-W87 PolarHBondContact O-N 2.92Å; V84-W87 VanDerWaalsContact O-N 3.17Å; V84-Y88 HydrophobicContact CG1-CD2 3.83Å; V84-Y88 HydrophobicContact CG1-CE2 3.78Å; V84-Y88 WeakPolarHBondContact O-CD2 3.36Å; V84-Y88 PolarHBondContact O-N 3.29Å; V84-V126 HydrophobicContact CG1-CG1 4.37Å; V84-T129 HydrophobicContact CG2-CG2 3.87Å; V84-F158 HydrophobicContact CG1-CE2 4.18Å; V84-F158 HydrophobicContact CG1-CZ 3.69Å
85Q96.5Very high96.2Very high42 Ų4236.4 Ų36.420%0.19618%0.184CC..Hα-helixtrans-57.9-40.4176.2-76.1-179.6-48.900112.7I68 N69 V81 Q82 M83 S89I68-Q85 HydrophobicContact CG2-CG 3.64Å; N69-Q85 PolarHBondContact OD1-NE2 3.01Å; N69-Q85 VanDerWaalsContact OD1-NE2 3.11Å; V81-Q85 PolarHBondContact O-N 3.09Å; Q82-Q85 PolarHBondContact O-N 3.02Å; M83-Q85 PolarHBondContact O-N 2.86Å; Q85-S89 WeakPolarHBondContact O-CB 3.32Å; Q85-S89 PolarHBondContact O-N 3.41Å; Q85-S89 PolarHBondContact O-OG 2.92Å
86R96.4Very high96.3Very high134 Ų13437.4 Ų37.451%0.50619%0.189SC..Hα-helixtrans-64.7-43.4176.1-70.1173.6-157141.26.6111.6Q82 M83 V84 S89 Q90Q82-R86 VanDerWaalsContact O-CG 3.31Å; Q82-R86 WeakPolarHBondContact O-CG 3.29Å; Q82-R86 PolarHBondContact O-N 3.25Å; M83-R86 WeakPolarHBondContact O-CB 3.41Å; M83-R86 PolarHBondContact O-N 3.49Å; V84-R86 VanDerWaalsContact C-N 3.29Å; V84-R86 PolarHBondContact O-N 3.14Å; R86-S89 PolarHBondContact O-N 3.43Å; R86-Q90 WeakPolarHBondContact O-CB 3.28Å; R86-Q90 PolarHBondContact O-N 3.4Å
87W97.8Very high96.3Very high48 Ų4841.3 Ų41.318%0.18221%0.206CC..Hα-helixtrans-60.4-47.5177.1-66.1-23.2000112.1M83 V84 S89 Q90 S91 R122 D125 V126 T129M83-W87 HydrophobicContact CG-CD2 4.24Å; M83-W87 HydrophobicContact CG-CH2 4.02Å; M83-W87 HydrophobicContact CG-CZ2 3.49Å; M83-W87 VanDerWaalsContact CG-CZ2 3.49Å; M83-W87 PolarHBondContact O-N 3.43Å; M83-W87 HydrophobicContact SD-CZ2 4.35Å; V84-W87 HydrophobicContact CG2-CE3 4.22Å; V84-W87 HydrophobicContact CG2-CZ3 4.19Å; V84-W87 PolarHBondContact O-N 2.92Å; V84-W87 VanDerWaalsContact O-N 3.17Å; W87-S89 PolarHBondContact O-N 3Å; W87-Q90 PolarHBondContact O-N 3.5Å; W87-S91 WeakPolarHBondContact O-CB 3.49Å; W87-S91 PolarHBondContact O-N 2.96Å; W87-S91 PolarHBondContact O-OG 3.49Å; W87-R122 HydrophobicContact CB-CG 4.04Å; W87-R122 HydrophobicContact CD2-CG 4.47Å; W87-R122 HydrophobicContact CG-CG 3.83Å; W87-D125 HydrophobicContact CH2-CB 4.36Å; W87-V126 HydrophobicContact CE3-CG2 3.73Å; W87-V126 HydrophobicContact CZ3-CG2 4Å; W87-T129 HydrophobicContact CH2-CG2 4.17Å; W87-T129 WeakPolarHBondContact CH2-OG1 3.26Å; W87-T129 HydrophobicContact CZ3-CG2 4.2Å
88Y97.9Very high96.4Very high0 Ų037.7 Ų37.70%018%0.183CC..Hα-helixtrans-63.4-42.2177.8-86.3-105.3000112.2L61 I64 M65 V84 Q90 S91 L92 H123 V126 F158L61-Y88 HydrophobicContact CD2-CD1 3.45Å; L61-Y88 VanDerWaalsContact CD2-CD1 3.45Å; L61-Y88 HydrophobicContact CD2-CE1 3.75Å; L61-Y88 HydrophobicContact CD2-CG 4.39Å; I64-Y88 HydrophobicContact CG2-CD1 4.18Å; I64-Y88 HydrophobicContact CG2-CE1 3.77Å; M65-Y88 HydrophobicContact CG-CD1 4.12Å; M65-Y88 HydrophobicContact CG-CG 4.39Å; V84-Y88 HydrophobicContact CG1-CD2 3.83Å; V84-Y88 HydrophobicContact CG1-CE2 3.78Å; V84-Y88 WeakPolarHBondContact O-CD2 3.36Å; V84-Y88 PolarHBondContact O-N 3.29Å; Y88-Q90 PolarHBondContact O-N 2.91Å; Y88-S91 PolarHBondContact O-N 3.42Å; Y88-L92 WeakPolarHBondContact O-CB 3.47Å; Y88-L92 PolarHBondContact O-N 3.11Å; Y88-H123 AromaticContact CD2-CE1 3.99Å; Y88-H123 AromaticContact CE2-CE1 4Å; Y88-V126 HydrophobicContact CE2-CG1 4.23Å; Y88-V126 HydrophobicContact CE2-CG2 4.3Å; Y88-F158 HydrophobicContact CE1-CE2 4.31Å; Y88-F158 AromaticContact CE2-CE2 3.74Å; Y88-F158 HydrophobicContact CE2-CE2 3.74Å; Y88-F158 AromaticContact CE2-CZ 3.8Å; Y88-F158 HydrophobicContact CE2-CZ 3.8Å; Y88-F158 AromaticContact CZ-CE2 3.55Å; Y88-F158 AromaticContact CZ-CZ 3.89Å; Y88-F158 VanDerWaalsContact OH-CE2 3.32Å; Y88-F158 WeakPolarHBondContact OH-CE2 3.25Å; Y88-F158 WeakPolarHBondContact OH-CZ 3.45Å
89S96Very high96.3Very high24 Ų2439.4 Ų39.417%0.16819%0.192CC..Hα-helixtrans-63-42.5176.7-58.20000111.9M65 Q85 R86 W87 L92 L93M65-S89 VanDerWaalsContact CE-OG 3.28Å; M65-S89 WeakPolarHBondContact CE-OG 3.41Å; Q85-S89 WeakPolarHBondContact O-CB 3.32Å; Q85-S89 PolarHBondContact O-N 3.41Å; Q85-S89 PolarHBondContact O-OG 2.92Å; R86-S89 PolarHBondContact O-N 3.43Å; W87-S89 PolarHBondContact O-N 3Å; S89-L92 PolarHBondContact O-N 2.74Å; S89-L93 WeakPolarHBondContact O-CG 3.41Å; S89-L93 PolarHBondContact O-N 2.79Å; S89-L93 VanDerWaalsContact O-N 3.1Å
90Q96.3Very high96.2Very high57 Ų5742.8 Ų42.827%0.26621%0.205SC..Hα-helixtrans-65-46.4177.2-179.4170.5-14.400111.4R86 W87 Y88 L92 L93 E94R86-Q90 WeakPolarHBondContact O-CB 3.28Å; R86-Q90 PolarHBondContact O-N 3.4Å; W87-Q90 PolarHBondContact O-N 3.5Å; Y88-Q90 PolarHBondContact O-N 2.91Å; Q90-L92 VanDerWaalsContact C-N 3.32Å; Q90-L92 PolarHBondContact O-N 2.85Å; Q90-L93 PolarHBondContact O-N 3.24Å; Q90-E94 HydrophobicContact CG-CG 4.43Å; Q90-E94 VanDerWaalsContact CG-OE1 3.3Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.33Å; Q90-E94 PolarHBondContact NE2-OE1 3.09Å; Q90-E94 WeakPolarHBondContact O-CG 3.36Å; Q90-E94 PolarHBondContact O-N 2.77Å
91S97.8Very high96.1Very high0 Ų045.3 Ų45.30%021%0.214CC..Hα-helixtrans-61.6-39.8178-60.80000112W87 Y88 E94 I95 R122 H123W87-S91 WeakPolarHBondContact O-CB 3.49Å; W87-S91 PolarHBondContact O-N 2.96Å; W87-S91 PolarHBondContact O-OG 3.49Å; Y88-S91 PolarHBondContact O-N 3.42Å; S91-E94 PolarHBondContact O-N 3.38Å; S91-I95 VanDerWaalsContact O-CG1 3.3Å; S91-I95 WeakPolarHBondContact O-CG1 3.3Å; S91-I95 PolarHBondContact O-N 3.48Å; S91-I95 VanDerWaalsContact O-N 3.09Å; S91-R122 PolarHBondContact OG-NH1 2.86Å; S91-H123 PolarHBondContact OG-NE2 3.44Å
92L97.3Very high96Very high0 Ų049.6 Ų49.60%024%0.237CC..Hα-helixtrans-59-53.6173.6176.362.5000110.9H19 I20 P58 L61 M65 Y88 S89 Q90 E94 I95 L96H19-L92 HydrophobicContact CB-CD2 4.47Å; I20-L92 HydrophobicContact CG1-CD2 3.62Å; P58-L92 HydrophobicContact CB-CD1 3.76Å; P58-L92 HydrophobicContact CG-CD1 4.4Å; L61-L92 HydrophobicContact CD1-CB 4.33Å; M65-L92 HydrophobicContact SD-CD2 4.19Å; Y88-L92 WeakPolarHBondContact O-CB 3.47Å; Y88-L92 PolarHBondContact O-N 3.11Å; S89-L92 PolarHBondContact O-N 2.74Å; Q90-L92 VanDerWaalsContact C-N 3.32Å; Q90-L92 PolarHBondContact O-N 2.85Å; L92-E94 VanDerWaalsContact C-N 3.3Å; L92-E94 PolarHBondContact O-N 3.18Å; L92-I95 PolarHBondContact O-N 3.06Å; L92-L96 HydrophobicContact CD1-CD1 3.97Å; L92-L96 HydrophobicContact CD1-CD2 4.33Å; L92-L96 HydrophobicContact CD1-CG 4.02Å; L92-L96 HydrophobicContact CG-CD1 3.81Å; L92-L96 HydrophobicContact CG-CG 4.28Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.43Å
93L95.7Very high95.9Very high34 Ų3447.5 Ų47.518%0.17823%0.229CC..Hα-helixtrans-62.1-36.9-178.2-67.7173.1000113A12 L13 A16 S89 Q90 L96 H97A12-L93 HydrophobicContact CB-CD1 4.46Å; L13-L93 HydrophobicContact CB-CD1 4.48Å; L13-L93 HydrophobicContact CD2-CD1 3.74Å; L13-L93 HydrophobicContact CG-CD1 3.89Å; A16-L93 HydrophobicContact CB-CD1 4.48Å; A16-L93 HydrophobicContact CB-CD2 4.33Å; S89-L93 WeakPolarHBondContact O-CG 3.41Å; S89-L93 PolarHBondContact O-N 2.79Å; S89-L93 VanDerWaalsContact O-N 3.1Å; Q90-L93 PolarHBondContact O-N 3.24Å; L93-L96 HydrophobicContact CD2-CD1 4.4Å; L93-L96 PolarHBondContact O-N 3.48Å; L93-H97 PolarHBondContact O-N 2.91Å
94E96.1Very high95.7Very high51 Ų5148.4 Ų48.424%0.23824%0.236CC..Hα-helixtrans-64.1-42.2175.9-75.7171.7-174.700111.7Q90 S91 L92 H97 F98 I119 R122Q90-E94 HydrophobicContact CG-CG 4.43Å; Q90-E94 VanDerWaalsContact CG-OE1 3.3Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.33Å; Q90-E94 PolarHBondContact NE2-OE1 3.09Å; Q90-E94 WeakPolarHBondContact O-CG 3.36Å; Q90-E94 PolarHBondContact O-N 2.77Å; S91-E94 PolarHBondContact O-N 3.38Å; L92-E94 VanDerWaalsContact C-N 3.3Å; L92-E94 PolarHBondContact O-N 3.18Å; E94-H97 VanDerWaalsContact O-CB 3.29Å; E94-H97 WeakPolarHBondContact O-CB 3.36Å; E94-H97 PolarHBondContact O-N 2.96Å; E94-F98 VanDerWaalsContact O-CD2 3.29Å; E94-F98 WeakPolarHBondContact O-CD2 3.29Å; E94-F98 WeakPolarHBondContact O-CE2 3.28Å; E94-I119 HydrophobicContact CB-CD1 4.47Å; E94-R122 IonicContact OE1-CZ 2.74Å; E94-R122 IonicContact OE1-NH1 2.8Å; E94-R122 IonicContact OE1-NH2 3.63Å; E94-R122 PolarHBondContact OE1-NH2 3.3Å; E94-R122 IonicContact OE2-CZ 3.39Å; E94-R122 IonicContact OE2-NH1 3.05Å; E94-R122 PolarHBondContact OE2-NH1 3.17Å; E94-R122 IonicContact OE2-NH2 3.67Å; E94-R122 PolarHBondContact OE2-NH2 2.85Å
95I97.1Very high95.6Very high2 Ų250.6 Ų50.61%0.0125%0.247CC..Hα-helixtrans-70.1-38.4176.5-62.1166.3000111.3L57 P58 L61 S91 L92 H97 F98 I119L57-I95 HydrophobicContact CB-CD1 3.7Å; L57-I95 HydrophobicContact CD1-CD1 3.92Å; L57-I95 HydrophobicContact CG-CD1 4.44Å; P58-I95 HydrophobicContact CG-CB 4.42Å; P58-I95 HydrophobicContact CG-CG2 3.72Å; L61-I95 HydrophobicContact CD1-CD1 3.78Å; S91-I95 VanDerWaalsContact O-CG1 3.3Å; S91-I95 WeakPolarHBondContact O-CG1 3.3Å; S91-I95 PolarHBondContact O-N 3.48Å; S91-I95 VanDerWaalsContact O-N 3.09Å; L92-I95 PolarHBondContact O-N 3.06Å; I95-H97 PolarHBondContact O-N 3.27Å; I95-H97 VanDerWaalsContact O-N 3.13Å; I95-F98 WeakPolarHBondContact O-CB 3.35Å; I95-F98 PolarHBondContact O-N 3.1Å; I95-I119 HydrophobicContact CD1-CD1 3.8Å; I95-I119 HydrophobicContact CG1-CD1 3.52Å
96L95.3Very high95.3Very high20 Ų2055.8 Ų55.811%0.10527%0.271CS..Hα-helixtrans-61.2-23.1178.9-68.7174.3000112.9H19 F23 P58 L92 L93 F98 L99H19-L96 HydrophobicContact CB-CD1 3.67Å; F23-L96 HydrophobicContact CD2-CD2 4.07Å; F23-L96 HydrophobicContact CE2-CD2 3.32Å; F23-L96 HydrophobicContact CZ-CD2 3.8Å; P58-L96 HydrophobicContact CB-CD2 4.16Å; P58-L96 HydrophobicContact CG-CD2 4.13Å; L92-L96 HydrophobicContact CD1-CD1 3.97Å; L92-L96 HydrophobicContact CD1-CD2 4.33Å; L92-L96 HydrophobicContact CD1-CG 4.02Å; L92-L96 HydrophobicContact CG-CD1 3.81Å; L92-L96 HydrophobicContact CG-CG 4.28Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.43Å; L93-L96 HydrophobicContact CD2-CD1 4.4Å; L93-L96 PolarHBondContact O-N 3.48Å; L96-F98 PolarHBondContact O-N 2.89Å; L96-F98 VanDerWaalsContact O-N 3.15Å; L96-L99 HydrophobicContact CB-CD1 4.32Å; L96-L99 HydrophobicContact CD2-CD1 3.36Å; L96-L99 HydrophobicContact CD2-CG 4.03Å; L96-L99 HydrophobicContact CG-CD1 4.42Å; L96-L99 PolarHBondContact O-N 3.32Å
97H94.6Very high95.2Very high109 Ų10957.8 Ų57.851%0.50528%0.279SS..THydrogen-bonded Turntrans-57.8-24.8171.9-172.364.1000113.3L93 E94 I95 K101L93-H97 PolarHBondContact O-N 2.91Å; E94-H97 VanDerWaalsContact O-CB 3.29Å; E94-H97 WeakPolarHBondContact O-CB 3.36Å; E94-H97 PolarHBondContact O-N 2.96Å; I95-H97 PolarHBondContact O-N 3.27Å; I95-H97 VanDerWaalsContact O-N 3.13Å; H97-K101 WeakPolarHBondContact NE2-CE 3.2Å; H97-K101 PolarHBondContact NE2-NZ 3.39Å; H97-K101 VanDerWaalsContact O-CE 3.3Å; H97-K101 WeakPolarHBondContact O-CE 3.41Å; H97-K101 WeakPolarHBondContact O-CG 3.35Å
98F96.6Very high95.1Very high10 Ų1056 Ų564%0.04427%0.274CS..THydrogen-bonded Turntrans-94.9-6.2-175.4-64.1-88.9000114.4F50 R54 E94 I95 L96 D100 K101 V108 E111 F112 A115F50-F98 HydrophobicContact CE2-CB 3.93Å; F50-F98 HydrophobicContact CE2-CD1 4Å; F50-F98 HydrophobicContact CE2-CG 4.3Å; F50-F98 HydrophobicContact CZ-CB 4.12Å; F50-F98 HydrophobicContact CZ-CD1 4.44Å; R54-F98 WeakPolarHBondContact CD-O 3.29Å; R54-F98 PolarHBondContact NH1-O 2.91Å; E94-F98 VanDerWaalsContact O-CD2 3.29Å; E94-F98 WeakPolarHBondContact O-CD2 3.29Å; E94-F98 WeakPolarHBondContact O-CE2 3.28Å; I95-F98 WeakPolarHBondContact O-CB 3.35Å; I95-F98 PolarHBondContact O-N 3.1Å; L96-F98 PolarHBondContact O-N 2.89Å; L96-F98 VanDerWaalsContact O-N 3.15Å; F98-D100 PolarHBondContact O-N 3.12Å; F98-K101 HydrophobicContact CD1-CG 4.42Å; F98-K101 PolarHBondContact O-N 3.26Å; F98-V108 HydrophobicContact CD1-CG1 4.08Å; F98-V108 HydrophobicContact CE1-CG1 4.49Å; F98-E111 HydrophobicContact CE1-CB 4.08Å; F98-E111 HydrophobicContact CZ-CB 4.3Å; F98-F112 HydrophobicContact CB-CD2 4.15Å; F98-F112 HydrophobicContact CB-CE2 4.43Å; F98-F112 HydrophobicContact CD1-CB 4.05Å; F98-F112 AromaticContact CD1-CD2 3.88Å; F98-F112 HydrophobicContact CD1-CD2 3.88Å; F98-F112 HydrophobicContact CD1-CG 4.43Å; F98-F112 AromaticContact CD2-CD2 3.81Å; F98-F112 HydrophobicContact CD2-CD2 3.81Å; F98-F112 HydrophobicContact CD2-CE2 4.37Å; F98-F112 HydrophobicContact CE1-CB 3.83Å; F98-F112 HydrophobicContact CE1-CD2 4.2Å; F98-F112 HydrophobicContact CE2-CD2 4.13Å; F98-F112 AromaticContact CG-CD2 3.68Å; F98-F112 HydrophobicContact CG-CD2 3.68Å; F98-F112 HydrophobicContact CG-CE2 4.34Å; F98-F112 HydrophobicContact CZ-CB 4.3Å; F98-F112 HydrophobicContact CZ-CD2 4.31Å; F98-A115 HydrophobicContact CE2-CB 3.81Å; F98-A115 HydrophobicContact CZ-CB 4Å
99L92.9Very high95Very high46 Ų4656.5 Ų56.524%0.24128%0.276CS..THydrogen-bonded Turntrans-54.8-48.3-174.9-80.3176.9000113F23 R54 L96F23-L99 HydrophobicContact CE2-CD1 4.3Å; F23-L99 HydrophobicContact CZ-CD1 3.93Å; F23-L99 HydrophobicContact CZ-CD2 4.18Å; R54-L99 VanDerWaalsContact CZ-O 3.28Å; R54-L99 PolarHBondContact NH1-O 3.43Å; R54-L99 VanDerWaalsContact NH1-O 3.08Å; R54-L99 VanDerWaalsContact O-CD2 3.32Å; R54-L99 WeakPolarHBondContact O-CD2 3.38Å; L96-L99 HydrophobicContact CB-CD1 4.32Å; L96-L99 HydrophobicContact CD2-CD1 3.36Å; L96-L99 HydrophobicContact CD2-CG 4.03Å; L96-L99 HydrophobicContact CG-CD1 4.42Å; L96-L99 PolarHBondContact O-N 3.32Å
100D92.1Very high94.9Very high160 Ų16057.9 Ų57.986%0.85629%0.289SS*.THydrogen-bonded Turntrans-98.97.2-175.5-57.3-46.7000113F98F98-D100 PolarHBondContact O-N 3.12Å
101K94.9Very high94.8Very high67 Ų6759.8 Ų59.829%0.29130%0.298SS..SBendtrans-74.9149-179.1-62.2-72.1-175.3153.40111.2F50 R54 H97 F98 P103 V108F50-K101 HydrophobicContact CZ-CB 4.44Å; R54-K101 PolarHBondContact NH1-O 2.94Å; H97-K101 WeakPolarHBondContact NE2-CE 3.2Å; H97-K101 PolarHBondContact NE2-NZ 3.39Å; H97-K101 VanDerWaalsContact O-CE 3.3Å; H97-K101 WeakPolarHBondContact O-CE 3.41Å; H97-K101 WeakPolarHBondContact O-CG 3.35Å; F98-K101 HydrophobicContact CD1-CG 4.42Å; F98-K101 PolarHBondContact O-N 3.26Å; K101-P103 WeakPolarHBondContact O-CD 3.14Å; K101-V108 HydrophobicContact CB-CG1 3.57Å; K101-V108 HydrophobicContact CB-CG2 4.31Å; K101-V108 HydrophobicContact CG-CG1 4.22Å
102N94.3Very high94.8Very high91 Ų9159.8 Ų59.849%0.48730%0.298SS..  trans-70.9119.2179.4-175.71.1000110.3D104 D105N102-D104 PolarHBondContact O-N 3.49Å; N102-D104 WeakPolarHBondContact OD1-CB 3.31Å; N102-D104 PolarHBondContact OD1-N 3.26Å; N102-D105 PolarHBondContact O-N 2.92Å
103P93.1Very high94.7Very high24 Ų2460.1 Ų60.116%0.15630%0.3CS..THydrogen-bonded Turntrans-70.8-9.4178.733.1-39.8000113.9K47 F50 V51 K101K47-P103 HydrophobicContact CD-CB 4.41Å; K47-P103 HydrophobicContact CG-CB 3.81Å; F50-P103 HydrophobicContact CD1-CB 3.8Å; F50-P103 HydrophobicContact CE1-CB 3.89Å; V51-P103 HydrophobicContact CG2-CB 3.82Å; V51-P103 HydrophobicContact CG2-CG 4.29Å; K101-P103 WeakPolarHBondContact O-CD 3.14Å
104D93.6Very high94.7Very high95 Ų9563.4 Ų63.451%0.50832%0.318SS..THydrogen-bonded Turntrans-89.7-8.3175.4-66.6-63.5000113.9K47 N102 H106K47-D104 VanDerWaalsContact CE-OD1 3.32Å; K47-D104 WeakPolarHBondContact CE-OD1 3.5Å; K47-D104 IonicContact NZ-OD1 2.62Å; K47-D104 PolarHBondContact NZ-OD1 3.44Å; K47-D104 IonicContact NZ-OD2 2.84Å; K47-D104 PolarHBondContact NZ-OD2 2.87Å; N102-D104 PolarHBondContact O-N 3.49Å; N102-D104 WeakPolarHBondContact OD1-CB 3.31Å; N102-D104 PolarHBondContact OD1-N 3.26Å; D104-H106 PolarHBondContact O-N 3.01Å
105D94.6Very high94.7Very high48 Ų4861.7 Ų61.726%0.25731%0.312SS..  trans-85.6111.4175.6-170-20.6000110.4N102 R107 V108 L109N102-D105 PolarHBondContact O-N 2.92Å; D105-R107 PolarHBondContact O-N 3.48Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 PolarHBondContact OD1-N 3.31Å; D105-R107 IonicContact OD1-NE 3.21Å; D105-R107 PolarHBondContact OD1-NE 3.41Å; D105-R107 IonicContact OD2-CZ 3.2Å; D105-R107 IonicContact OD2-NE 2.77Å; D105-R107 IonicContact OD2-NH2 3.63Å; D105-R107 PolarHBondContact OD2-NH2 3.06Å; D105-V108 HydrophobicContact CB-CB 4.23Å; D105-V108 HydrophobicContact CB-CG2 3.84Å; D105-V108 WeakPolarHBondContact O-CB 3.23Å; D105-V108 PolarHBondContact O-N 2.94Å; D105-L109 PolarHBondContact O-N 3.45Å
106H91.9Very high94.8Very high152 Ų15261.6 Ų61.670%0.70431%0.312SS*.Hα-helixtrans-60.9-27.5-179.2-67.570.6000112.9D104 V108 L109 A110D104-H106 PolarHBondContact O-N 3.01Å; H106-V108 VanDerWaalsContact C-N 3.35Å; H106-L109 PolarHBondContact O-N 3.28Å; H106-A110 PolarHBondContact O-N 3.19Å
107R94.6Very high94.8Very high175 Ų17562 Ų6266%0.6632%0.315SS*.Hα-helixtrans-69.2-36.4175.6-64175.8-65.2-177.32.7111.4D105 L109 A110 E111D105-R107 PolarHBondContact O-N 3.48Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 PolarHBondContact OD1-N 3.31Å; D105-R107 IonicContact OD1-NE 3.21Å; D105-R107 PolarHBondContact OD1-NE 3.41Å; D105-R107 IonicContact OD2-CZ 3.2Å; D105-R107 IonicContact OD2-NE 2.77Å; D105-R107 IonicContact OD2-NH2 3.63Å; D105-R107 PolarHBondContact OD2-NH2 3.06Å; R107-L109 VanDerWaalsContact C-N 3.32Å; R107-A110 PolarHBondContact O-N 2.96Å; R107-E111 WeakPolarHBondContact O-CB 3.42Å; R107-E111 VanDerWaalsContact O-CG 3.28Å; R107-E111 WeakPolarHBondContact O-CG 3.41Å; R107-E111 PolarHBondContact O-N 3.33Å
108V95.6Very high94.9Very high12 Ų1260 Ų607%0.07331%0.311CS..Hα-helixtrans-64.8-40.3175.5171.70000110.4F50 F98 K101 D105 H106 E111 F112F50-V108 HydrophobicContact CE2-CG1 4.22Å; F50-V108 HydrophobicContact CZ-CG1 3.83Å; F98-V108 HydrophobicContact CD1-CG1 4.08Å; F98-V108 HydrophobicContact CE1-CG1 4.49Å; K101-V108 HydrophobicContact CB-CG1 3.57Å; K101-V108 HydrophobicContact CB-CG2 4.31Å; K101-V108 HydrophobicContact CG-CG1 4.22Å; D105-V108 HydrophobicContact CB-CB 4.23Å; D105-V108 HydrophobicContact CB-CG2 3.84Å; D105-V108 WeakPolarHBondContact O-CB 3.23Å; D105-V108 PolarHBondContact O-N 2.94Å; H106-V108 VanDerWaalsContact C-N 3.35Å; V108-E111 PolarHBondContact O-N 3.11Å; V108-F112 WeakPolarHBondContact O-CB 3.44Å; V108-F112 PolarHBondContact O-N 3.44Å
109L94.6Very high94.9Very high9 Ų959.6 Ų59.65%0.04731%0.309CS..Hα-helixtrans-63.7-47.6177.6-62.2178.3000111.2E46 F50 D105 H106 R107 E111 F112 V113E46-L109 HydrophobicContact CG-CB 4.46Å; E46-L109 HydrophobicContact CG-CD1 4.26Å; E46-L109 HydrophobicContact CG-CD2 4.44Å; F50-L109 HydrophobicContact CB-CD2 3.64Å; F50-L109 HydrophobicContact CD1-CD2 3.88Å; F50-L109 HydrophobicContact CD2-CD2 4.13Å; F50-L109 HydrophobicContact CG-CD2 3.61Å; D105-L109 PolarHBondContact O-N 3.45Å; H106-L109 PolarHBondContact O-N 3.28Å; R107-L109 VanDerWaalsContact C-N 3.32Å; L109-E111 PolarHBondContact O-N 2.95Å; L109-F112 WeakPolarHBondContact O-CB 3.36Å; L109-F112 PolarHBondContact O-N 3.23Å; L109-F112 VanDerWaalsContact O-N 3.12Å; L109-V113 PolarHBondContact O-N 3.37Å
110A93.6Very high95.1Very high54 Ų5460.4 Ų60.445%0.44631%0.309SS..Hα-helixtrans-60.7-46.4174.800000112.7H106 R107 F112 V113 D114H106-A110 PolarHBondContact O-N 3.19Å; R107-A110 PolarHBondContact O-N 2.96Å; A110-F112 PolarHBondContact O-N 2.92Å; A110-V113 PolarHBondContact O-N 3.33Å; A110-D114 PolarHBondContact O-N 3Å; A110-D114 VanDerWaalsContact O-N 3.11Å
111E95.6Very high95.2Very high97 Ų9756.6 Ų56.645%0.45329%0.288SS..Hα-helixtrans-59.8-32.3175.2-76.6177-172.200112.3F98 R107 V108 L109 A115F98-E111 HydrophobicContact CE1-CB 4.08Å; F98-E111 HydrophobicContact CZ-CB 4.3Å; R107-E111 WeakPolarHBondContact O-CB 3.42Å; R107-E111 VanDerWaalsContact O-CG 3.28Å; R107-E111 WeakPolarHBondContact O-CG 3.41Å; R107-E111 PolarHBondContact O-N 3.33Å; V108-E111 PolarHBondContact O-N 3.11Å; L109-E111 PolarHBondContact O-N 2.95Å; E111-A115 WeakPolarHBondContact O-CB 3.34Å; E111-A115 PolarHBondContact O-N 3.05Å
112F96.9Very high95.3Very high0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-70-44.1176.9-175.4-109.5000111.8F50 L53 R54 F98 V108 L109 A110 D114 A115 L116 H172F50-F112 HydrophobicContact CD2-CB 3.95Å; F50-F112 AromaticContact CD2-CD1 3.54Å; F50-F112 HydrophobicContact CD2-CD1 3.54Å; F50-F112 AromaticContact CD2-CD2 3.94Å; F50-F112 HydrophobicContact CD2-CD2 3.94Å; F50-F112 AromaticContact CD2-CE1 3.89Å; F50-F112 HydrophobicContact CD2-CE1 3.89Å; F50-F112 HydrophobicContact CD2-CE2 4.28Å; F50-F112 AromaticContact CD2-CG 3.54Å; F50-F112 HydrophobicContact CD2-CG 3.54Å; F50-F112 HydrophobicContact CD2-CZ 4.25Å; F50-F112 HydrophobicContact CE2-CB 3.97Å; F50-F112 HydrophobicContact CE2-CD1 4.22Å; F50-F112 AromaticContact CE2-CD2 3.79Å; F50-F112 HydrophobicContact CE2-CD2 3.79Å; F50-F112 HydrophobicContact CE2-CE2 4.28Å; F50-F112 AromaticContact CE2-CG 3.74Å; F50-F112 HydrophobicContact CE2-CG 3.74Å; L53-F112 HydrophobicContact CB-CE1 4.09Å; L53-F112 HydrophobicContact CB-CZ 3.89Å; L53-F112 HydrophobicContact CD1-CE1 4.37Å; R54-F112 HydrophobicContact CB-CE2 4.48Å; F98-F112 HydrophobicContact CB-CD2 4.15Å; F98-F112 HydrophobicContact CB-CE2 4.43Å; F98-F112 HydrophobicContact CD1-CB 4.05Å; F98-F112 AromaticContact CD1-CD2 3.88Å; F98-F112 HydrophobicContact CD1-CD2 3.88Å; F98-F112 HydrophobicContact CD1-CG 4.43Å; F98-F112 AromaticContact CD2-CD2 3.81Å; F98-F112 HydrophobicContact CD2-CD2 3.81Å; F98-F112 HydrophobicContact CD2-CE2 4.37Å; F98-F112 HydrophobicContact CE1-CB 3.83Å; F98-F112 HydrophobicContact CE1-CD2 4.2Å; F98-F112 HydrophobicContact CE2-CD2 4.13Å; F98-F112 AromaticContact CG-CD2 3.68Å; F98-F112 HydrophobicContact CG-CD2 3.68Å; F98-F112 HydrophobicContact CG-CE2 4.34Å; F98-F112 HydrophobicContact CZ-CB 4.3Å; F98-F112 HydrophobicContact CZ-CD2 4.31Å; V108-F112 WeakPolarHBondContact O-CB 3.44Å; V108-F112 PolarHBondContact O-N 3.44Å; L109-F112 WeakPolarHBondContact O-CB 3.36Å; L109-F112 PolarHBondContact O-N 3.23Å; L109-F112 VanDerWaalsContact O-N 3.12Å; A110-F112 PolarHBondContact O-N 2.92Å; F112-D114 VanDerWaalsContact C-N 3.33Å; F112-D114 PolarHBondContact O-N 3.43Å; F112-A115 WeakPolarHBondContact O-CB 3.49Å; F112-A115 PolarHBondContact O-N 3.46Å; F112-L116 HydrophobicContact CD1-CD1 4.06Å; F112-L116 HydrophobicContact CD1-CG 4.22Å; F112-L116 HydrophobicContact CE1-CD1 3.6Å; F112-L116 HydrophobicContact CE1-CD2 4.27Å; F112-L116 HydrophobicContact CE1-CG 3.98Å; F112-L116 HydrophobicContact CE2-CD2 4.16Å; F112-L116 HydrophobicContact CE2-CG 4.48Å; F112-L116 HydrophobicContact CZ-CD1 4.06Å; F112-L116 HydrophobicContact CZ-CD2 3.9Å; F112-L116 HydrophobicContact CZ-CG 4.11Å; F112-L116 WeakPolarHBondContact O-CG 3.44Å; F112-L116 PolarHBondContact O-N 3.42Å; F112-H172 AromaticContact CD1-NE2 3.64Å; F112-H172 AromaticContact CE1-NE2 3.98Å
113V95.4Very high95.4Very high7 Ų751.4 Ų51.44%0.04226%0.261CS..Hα-helixtrans-56.4-48.1173.9175.60000110.5L109 A110 A115 L116 V117 T173 D177L109-V113 PolarHBondContact O-N 3.37Å; A110-V113 PolarHBondContact O-N 3.33Å; V113-A115 VanDerWaalsContact C-N 3.32Å; V113-A115 PolarHBondContact O-N 3.09Å; V113-L116 PolarHBondContact O-N 2.87Å; V113-L116 VanDerWaalsContact O-N 3.12Å; V113-V117 WeakPolarHBondContact O-CG2 3.44Å; V113-V117 PolarHBondContact O-N 2.83Å; V113-T173 HydrophobicContact CG1-CG2 4.45Å; V113-D177 HydrophobicContact CG1-CB 4.23Å
114D95.4Very high95.4Very high102 Ų10253.7 Ų53.755%0.54527%0.271SS..Hα-helixtrans-58.9-41.5176.9-76.1-25000112.5A110 F112 V117 T118A110-D114 PolarHBondContact O-N 3Å; A110-D114 VanDerWaalsContact O-N 3.11Å; F112-D114 VanDerWaalsContact C-N 3.33Å; F112-D114 PolarHBondContact O-N 3.43Å; D114-V117 PolarHBondContact O-N 3.23Å; D114-T118 WeakPolarHBondContact O-CB 3.35Å; D114-T118 PolarHBondContact O-N 3.21Å; D114-T118 PolarHBondContact O-OG1 3.47Å
115A97.3Very high95.3Very high15 Ų1553.5 Ų53.512%0.12427%0.27CS..Hα-helixtrans-63.6-43175.700000111.4F98 E111 F112 V113 T118 I119F98-A115 HydrophobicContact CE2-CB 3.81Å; F98-A115 HydrophobicContact CZ-CB 4Å; E111-A115 WeakPolarHBondContact O-CB 3.34Å; E111-A115 PolarHBondContact O-N 3.05Å; F112-A115 WeakPolarHBondContact O-CB 3.49Å; F112-A115 PolarHBondContact O-N 3.46Å; V113-A115 VanDerWaalsContact C-N 3.32Å; V113-A115 PolarHBondContact O-N 3.09Å; A115-T118 WeakPolarHBondContact O-CB 3.25Å; A115-T118 PolarHBondContact O-N 3.31Å; A115-I119 VanDerWaalsContact O-CG1 3.25Å; A115-I119 WeakPolarHBondContact O-CG1 3.4Å; A115-I119 PolarHBondContact O-N 3.34Å
116L97.3Very high95.4Very high0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-64.8-41.5177.1-66.6-168000112.3L53 L57 F112 V113 T118 I119 R120 I169 H172 T173L53-L116 HydrophobicContact CD1-CD1 4.22Å; L57-L116 HydrophobicContact CD1-CD2 3.64Å; F112-L116 HydrophobicContact CD1-CD1 4.06Å; F112-L116 HydrophobicContact CD1-CG 4.22Å; F112-L116 HydrophobicContact CE1-CD1 3.6Å; F112-L116 HydrophobicContact CE1-CD2 4.27Å; F112-L116 HydrophobicContact CE1-CG 3.98Å; F112-L116 HydrophobicContact CE2-CD2 4.16Å; F112-L116 HydrophobicContact CE2-CG 4.48Å; F112-L116 HydrophobicContact CZ-CD1 4.06Å; F112-L116 HydrophobicContact CZ-CD2 3.9Å; F112-L116 HydrophobicContact CZ-CG 4.11Å; F112-L116 WeakPolarHBondContact O-CG 3.44Å; F112-L116 PolarHBondContact O-N 3.42Å; V113-L116 PolarHBondContact O-N 2.87Å; V113-L116 VanDerWaalsContact O-N 3.12Å; L116-T118 VanDerWaalsContact C-N 3.32Å; L116-T118 PolarHBondContact O-N 3.32Å; L116-I119 PolarHBondContact O-N 2.9Å; L116-R120 WeakPolarHBondContact O-CB 3.3Å; L116-R120 PolarHBondContact O-N 3.48Å; L116-I169 HydrophobicContact CB-CG2 4.04Å; L116-I169 HydrophobicContact CD2-CG1 4.25Å; L116-H172 HydrophobicContact CD1-CB 4.05Å; L116-T173 HydrophobicContact CB-CG2 4.23Å
117V95.6Very high95.4Very high28 Ų2845.4 Ų45.417%0.1723%0.233CC..Hα-helixtrans-60.5-43.7173.7170.90000110.6V113 D114 I119 R120 N121 T173V113-V117 WeakPolarHBondContact O-CG2 3.44Å; V113-V117 PolarHBondContact O-N 2.83Å; D114-V117 PolarHBondContact O-N 3.23Å; V117-I119 PolarHBondContact O-N 2.82Å; V117-R120 WeakPolarHBondContact O-CB 3.28Å; V117-R120 PolarHBondContact O-N 2.99Å; V117-N121 WeakPolarHBondContact O-CB 3.26Å; V117-N121 PolarHBondContact O-N 3.32Å; V117-N121 PolarHBondContact O-ND2 2.9Å; V117-N121 PolarHBondContact O-OD1 3.46Å; V117-T173 HydrophobicContact CG2-CG2 3.82Å
118T96.9Very high95.3Very high68 Ų6839.1 Ų39.142%0.41722%0.215SC..Hα-helixtrans-61.6-44176.7-60.30000111.8D114 A115 L116 N121 R122D114-T118 WeakPolarHBondContact O-CB 3.35Å; D114-T118 PolarHBondContact O-N 3.21Å; D114-T118 PolarHBondContact O-OG1 3.47Å; A115-T118 WeakPolarHBondContact O-CB 3.25Å; A115-T118 PolarHBondContact O-N 3.31Å; L116-T118 VanDerWaalsContact C-N 3.32Å; L116-T118 PolarHBondContact O-N 3.32Å; T118-N121 PolarHBondContact O-N 3.32Å; T118-R122 WeakPolarHBondContact O-CB 3.01Å; T118-R122 PolarHBondContact O-N 3.18Å
119I97.8Very high95.2Very high1 Ų139.8 Ų39.81%0.00522%0.219CC..Hα-helixtrans-64.7-45177.7-70.8165.3000110.9E94 I95 A115 L116 V117 N121 R122 H123 I169E94-I119 HydrophobicContact CB-CD1 4.47Å; I95-I119 HydrophobicContact CD1-CD1 3.8Å; I95-I119 HydrophobicContact CG1-CD1 3.52Å; A115-I119 VanDerWaalsContact O-CG1 3.25Å; A115-I119 WeakPolarHBondContact O-CG1 3.4Å; A115-I119 PolarHBondContact O-N 3.34Å; L116-I119 PolarHBondContact O-N 2.9Å; V117-I119 PolarHBondContact O-N 2.82Å; I119-N121 VanDerWaalsContact C-N 3.33Å; I119-N121 PolarHBondContact O-N 2.9Å; I119-R122 PolarHBondContact O-N 2.63Å; I119-H123 WeakPolarHBondContact O-CB 3.07Å; I119-H123 PolarHBondContact O-CD2 3.15Å; I119-H123 VanDerWaalsContact O-CD2 3.32Å; I119-H123 PolarHBondContact O-N 3.28Å; I119-I169 HydrophobicContact CG2-CD1 3.88Å
120R95.9Very high95.2Very high64 Ų6439.4 Ų39.424%0.24222%0.217CC..Hα-helixtrans-54.4-50.9175.2-176.2-176.168.2-161.60.2110.7L116 V117 H123 N124 I169 N170 T173L116-R120 WeakPolarHBondContact O-CB 3.3Å; L116-R120 PolarHBondContact O-N 3.48Å; V117-R120 WeakPolarHBondContact O-CB 3.28Å; V117-R120 PolarHBondContact O-N 2.99Å; R120-H123 PolarHBondContact O-N 3.09Å; R120-H123 VanDerWaalsContact O-N 3.15Å; R120-N124 PolarHBondContact O-N 3.2Å; R120-N124 PolarHBondContact O-OD1 3.15Å; R120-I169 HydrophobicContact CB-CG2 3.99Å; R120-I169 HydrophobicContact CG-CG2 4.49Å; R120-N170 WeakPolarHBondContact CD-OD1 3.37Å; R120-T173 PolarHBondContact NH1-OG1 3.4Å
121N94.9Very high95.2Very high80 Ų8036.9 Ų36.943%0.42820%0.196SC..Hα-helixtrans-65.1-42.3-177.7-66.3-12.3000111.9V117 T118 I119 H123 N124V117-N121 WeakPolarHBondContact O-CB 3.26Å; V117-N121 PolarHBondContact O-N 3.32Å; V117-N121 PolarHBondContact O-ND2 2.9Å; V117-N121 PolarHBondContact O-OD1 3.46Å; T118-N121 PolarHBondContact O-N 3.32Å; I119-N121 VanDerWaalsContact C-N 3.33Å; I119-N121 PolarHBondContact O-N 2.9Å; N121-H123 PolarHBondContact O-N 3.07Å; N121-N124 WeakPolarHBondContact O-CB 3.3Å; N121-N124 PolarHBondContact O-N 3.45Å; N121-N124 PolarHBondContact O-ND2 2.94Å
122R97.1Very high94.9Very high39 Ų3934.5 Ų34.515%0.14719%0.185CC..Hα-helixtrans-58.2-35.1173.8-178.4-173.8-55.2129.16.7112.4W87 S91 E94 T118 I119 N124W87-R122 HydrophobicContact CB-CG 4.04Å; W87-R122 HydrophobicContact CD2-CG 4.47Å; W87-R122 HydrophobicContact CG-CG 3.83Å; S91-R122 PolarHBondContact OG-NH1 2.86Å; E94-R122 IonicContact OE1-CZ 2.74Å; E94-R122 IonicContact OE1-NH1 2.8Å; E94-R122 IonicContact OE1-NH2 3.63Å; E94-R122 PolarHBondContact OE1-NH2 3.3Å; E94-R122 IonicContact OE2-CZ 3.39Å; E94-R122 IonicContact OE2-NH1 3.05Å; E94-R122 PolarHBondContact OE2-NH1 3.17Å; E94-R122 IonicContact OE2-NH2 3.67Å; E94-R122 PolarHBondContact OE2-NH2 2.85Å; T118-R122 WeakPolarHBondContact O-CB 3.01Å; T118-R122 PolarHBondContact O-N 3.18Å; I119-R122 PolarHBondContact O-N 2.63Å; R122-N124 VanDerWaalsContact C-N 3.35Å
123H96.8Very high94.7Very high10 Ų1034.5 Ų34.55%0.04619%0.185CC..THydrogen-bonded Turntrans-88.72.5-175.4-75.5-145000113.5Y88 S91 I119 R120 N121 D125 V126 R162Y88-H123 AromaticContact CD2-CE1 3.99Å; Y88-H123 AromaticContact CE2-CE1 4Å; S91-H123 PolarHBondContact OG-NE2 3.44Å; I119-H123 WeakPolarHBondContact O-CB 3.07Å; I119-H123 PolarHBondContact O-CD2 3.15Å; I119-H123 VanDerWaalsContact O-CD2 3.32Å; I119-H123 PolarHBondContact O-N 3.28Å; R120-H123 PolarHBondContact O-N 3.09Å; R120-H123 VanDerWaalsContact O-N 3.15Å; N121-H123 PolarHBondContact O-N 3.07Å; H123-D125 VanDerWaalsContact C-N 3.34Å; H123-D125 PolarHBondContact O-N 3.36Å; H123-V126 HydrophobicContact CB-CG2 4Å; H123-V126 WeakPolarHBondContact O-CB 3.46Å; H123-V126 WeakPolarHBondContact O-CG2 3.24Å; H123-V126 PolarHBondContact O-N 2.75Å; H123-R162 PolarHBondContact O-NE 3.03Å; H123-R162 PolarHBondContact O-NH2 3.44Å
124N91.8Very high94.6Very high72 Ų7234.3 Ų34.339%0.38518%0.184SC..THydrogen-bonded Turntrans-55.8-46.9-178.2-81.1-18.5000112.2R120 N121 R122 V126 R162R120-N124 PolarHBondContact O-N 3.2Å; R120-N124 PolarHBondContact O-OD1 3.15Å; N121-N124 WeakPolarHBondContact O-CB 3.3Å; N121-N124 PolarHBondContact O-N 3.45Å; N121-N124 PolarHBondContact O-ND2 2.94Å; R122-N124 VanDerWaalsContact C-N 3.35Å; N124-V126 PolarHBondContact O-N 2.85Å; N124-R162 PolarHBondContact O-NH2 3.11Å; N124-R162 VanDerWaalsContact O-NH2 3.08Å
125D92.9Very high94.3Very high91 Ų9131.1 Ų31.149%0.48717%0.166SC..THydrogen-bonded Turntrans-91.99.7-173.8-60.1-42.8000114.3W87 H123 V127 P128 T129W87-D125 HydrophobicContact CH2-CB 4.36Å; H123-D125 VanDerWaalsContact C-N 3.34Å; H123-D125 PolarHBondContact O-N 3.36Å; D125-V127 VanDerWaalsContact C-N 3.25Å; D125-V127 PolarHBondContact O-N 3.32Å; D125-P128 HydrophobicContact CB-CG 4.18Å; D125-P128 WeakPolarHBondContact O-CD 3.46Å; D125-P128 VanDerWaalsContact O-CG 3.29Å; D125-P128 WeakPolarHBondContact O-CG 3.15Å; D125-T129 VanDerWaalsContact O-CB 3.31Å; D125-T129 WeakPolarHBondContact O-CB 3.25Å; D125-T129 PolarHBondContact O-N 3.01Å; D125-T129 PolarHBondContact O-OG1 3.35Å
126V95.3Very high94Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-57.1-36.9179.7167.50000113V84 W87 Y88 H123 N124 M130 F158V84-V126 HydrophobicContact CG1-CG1 4.37Å; W87-V126 HydrophobicContact CE3-CG2 3.73Å; W87-V126 HydrophobicContact CZ3-CG2 4Å; Y88-V126 HydrophobicContact CE2-CG1 4.23Å; Y88-V126 HydrophobicContact CE2-CG2 4.3Å; H123-V126 HydrophobicContact CB-CG2 4Å; H123-V126 WeakPolarHBondContact O-CB 3.46Å; H123-V126 WeakPolarHBondContact O-CG2 3.24Å; H123-V126 PolarHBondContact O-N 2.75Å; N124-V126 PolarHBondContact O-N 2.85Å; V126-M130 WeakPolarHBondContact O-CB 3.45Å; V126-M130 PolarHBondContact O-N 3.29Å; V126-F158 HydrophobicContact CG1-CE1 3.57Å; V126-F158 HydrophobicContact CG1-CZ 3.42Å; V126-F158 VanDerWaalsContact CG1-CZ 3.42Å
127V93.1Very high93.7Very high30 Ų3032.7 Ų32.718%0.18217%0.171CC..Hα-helixtrans-65.3-59.6178.9175.30000111.4D125 T129 M130 A131 Y159 I333D125-V127 VanDerWaalsContact C-N 3.25Å; D125-V127 PolarHBondContact O-N 3.32Å; V127-T129 VanDerWaalsContact C-N 3.34Å; V127-T129 PolarHBondContact O-N 2.93Å; V127-M130 PolarHBondContact O-N 3.29Å; V127-A131 WeakPolarHBondContact O-CB 3.32Å; V127-A131 PolarHBondContact O-N 2.77Å; V127-Y159 HydrophobicContact CB-CE1 4.21Å; V127-Y159 HydrophobicContact CG1-CE1 4.34Å; V127-Y159 HydrophobicContact CG2-CD1 4.01Å; V127-Y159 HydrophobicContact CG2-CE1 3.76Å; V127-Y159 PolarHBondContact O-OH 2.99Å; V127-I333 HydrophobicContact CG1-CD1 3.55Å; V127-I333 HydrophobicContact CG2-CD1 4.36Å
128P92.1Very high93.3Very high43 Ų4336 Ų3628%0.27918%0.183SC..Hα-helixtrans-63.1-37.4178.923.3-33.4000112.7D125 A131 Q132 F327D125-P128 HydrophobicContact CB-CG 4.18Å; D125-P128 WeakPolarHBondContact O-CD 3.46Å; D125-P128 VanDerWaalsContact O-CG 3.29Å; D125-P128 WeakPolarHBondContact O-CG 3.15Å; P128-A131 PolarHBondContact O-N 3.4Å; P128-Q132 WeakPolarHBondContact O-CB 3.43Å; P128-Q132 PolarHBondContact O-N 3.07Å; P128-F327 HydrophobicContact CB-CE2 3.94Å
129T93.5Very high92.9Very high25 Ų2540 Ų4015%0.15320%0.197CC..Hα-helixtrans-65.4-44.1177.2-54.90000112S80 M83 V84 W87 D125 V127 A131 Q132 G133S80-T129 WeakPolarHBondContact CB-O 3.3Å; S80-T129 WeakPolarHBondContact O-CG2 3.41Å; M83-T129 HydrophobicContact CB-CG2 4.36Å; V84-T129 HydrophobicContact CG2-CG2 3.87Å; W87-T129 HydrophobicContact CH2-CG2 4.17Å; W87-T129 WeakPolarHBondContact CH2-OG1 3.26Å; W87-T129 HydrophobicContact CZ3-CG2 4.2Å; D125-T129 VanDerWaalsContact O-CB 3.31Å; D125-T129 WeakPolarHBondContact O-CB 3.25Å; D125-T129 PolarHBondContact O-N 3.01Å; D125-T129 PolarHBondContact O-OG1 3.35Å; V127-T129 VanDerWaalsContact C-N 3.34Å; V127-T129 PolarHBondContact O-N 2.93Å; T129-A131 VanDerWaalsContact C-N 3.34Å; T129-A131 PolarHBondContact O-N 3.24Å; T129-Q132 WeakPolarHBondContact O-CB 3.28Å; T129-Q132 PolarHBondContact O-N 3.38Å; T129-G133 PolarHBondContact O-N 2.97Å
130M95.2Very high92.4Very high2 Ų244.9 Ų44.91%0.0123%0.226CC..Hα-helixtrans-65.4-39.4176.7-173.272.3-157.800111.5L71 V81 V126 V127 Q132 G133 V134 F154 L155 F158 Y159L71-M130 HydrophobicContact CD1-CE 4.1Å; V81-M130 HydrophobicContact CG2-CE 3.87Å; V81-M130 HydrophobicContact CG2-SD 4.04Å; V126-M130 WeakPolarHBondContact O-CB 3.45Å; V126-M130 PolarHBondContact O-N 3.29Å; V127-M130 PolarHBondContact O-N 3.29Å; M130-Q132 VanDerWaalsContact C-N 3.31Å; M130-Q132 PolarHBondContact O-N 3.08Å; M130-G133 PolarHBondContact O-N 2.51Å; M130-V134 HydrophobicContact CE-CG2 4.41Å; M130-V134 PolarHBondContact O-N 3.45Å; M130-V134 VanDerWaalsContact O-N 3.11Å; M130-F154 HydrophobicContact CE-CD1 4.25Å; M130-F154 HydrophobicContact CE-CE1 3.51Å; M130-F154 HydrophobicContact CE-CZ 4.33Å; M130-F154 HydrophobicContact SD-CE1 4.34Å; M130-L155 HydrophobicContact CE-CD2 4.05Å; M130-L155 HydrophobicContact CG-CD2 3.74Å; M130-F158 HydrophobicContact CB-CE1 4.15Å; M130-F158 HydrophobicContact CG-CD1 4.36Å; M130-F158 HydrophobicContact CG-CE1 4.04Å; M130-Y159 WeakPolarHBondContact CB-OH 3.36Å
131A91.6Very high91.9Very high0 Ų044.3 Ų44.30%023%0.226CC..Hα-helixtrans-59.7-43.1174.300000111.5V127 P128 T129 G133 V134 I135 F327 Y329V127-A131 WeakPolarHBondContact O-CB 3.32Å; V127-A131 PolarHBondContact O-N 2.77Å; P128-A131 PolarHBondContact O-N 3.4Å; T129-A131 VanDerWaalsContact C-N 3.34Å; T129-A131 PolarHBondContact O-N 3.24Å; A131-G133 VanDerWaalsContact C-N 3.33Å; A131-G133 PolarHBondContact O-N 2.86Å; A131-V134 PolarHBondContact O-N 3.3Å; A131-I135 WeakPolarHBondContact O-CG1 3.13Å; A131-I135 PolarHBondContact O-N 3.29Å; A131-F327 HydrophobicContact CB-CB 4.25Å; A131-F327 HydrophobicContact CB-CG 4.23Å; A131-Y329 HydrophobicContact CB-CD1 4.14Å; A131-Y329 HydrophobicContact CB-CD2 4.28Å; A131-Y329 HydrophobicContact CB-CE1 3.72Å; A131-Y329 HydrophobicContact CB-CE2 3.87Å; A131-Y329 HydrophobicContact CB-CG 4.41Å
132Q91Very high91.3Very high47 Ų4745.6 Ų45.622%0.2224%0.239CC..Hα-helixtrans-60.4-40.6174.8-174.158.541.500112P128 T129 M130 V134 I135 E136 I316P128-Q132 WeakPolarHBondContact O-CB 3.43Å; P128-Q132 PolarHBondContact O-N 3.07Å; T129-Q132 WeakPolarHBondContact O-CB 3.28Å; T129-Q132 PolarHBondContact O-N 3.38Å; M130-Q132 VanDerWaalsContact C-N 3.31Å; M130-Q132 PolarHBondContact O-N 3.08Å; Q132-V134 VanDerWaalsContact C-N 3.32Å; Q132-V134 PolarHBondContact O-N 3.4Å; Q132-I135 WeakPolarHBondContact O-CB 3.4Å; Q132-I135 PolarHBondContact O-N 3.43Å; Q132-I135 VanDerWaalsContact O-N 3.15Å; Q132-E136 HydrophobicContact CG-CG 4.48Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.3Å; Q132-E136 WeakPolarHBondContact O-CB 3.48Å; Q132-E136 VanDerWaalsContact O-CG 3.28Å; Q132-E136 WeakPolarHBondContact O-CG 3.41Å; Q132-E136 PolarHBondContact O-N 3.26Å; Q132-I316 HydrophobicContact CG-CD1 4.41Å
133G92.6Very high90.5Very high0 Ų047.3 Ų47.30%025%0.248CC..Hα-helixtrans-62.9-35.817500000113.8L75 T129 M130 A131 Y137L75-G133 WeakPolarHBondContact CD1-O 3.28Å; T129-G133 PolarHBondContact O-N 2.97Å; M130-G133 PolarHBondContact O-N 2.51Å; A131-G133 VanDerWaalsContact C-N 3.33Å; A131-G133 PolarHBondContact O-N 2.86Å; G133-Y137 WeakPolarHBondContact O-CB 3.2Å; G133-Y137 PolarHBondContact O-N 3.4Å
134V92.1Very high89.8Confident4 Ų449.7 Ų49.72%0.02426%0.261CS..Hα-helixtrans-69.8-36.1173.7177.20000111.3M130 A131 Q132 Y137 K138 I151 L155 M307M130-V134 HydrophobicContact CE-CG2 4.41Å; M130-V134 PolarHBondContact O-N 3.45Å; M130-V134 VanDerWaalsContact O-N 3.11Å; A131-V134 PolarHBondContact O-N 3.3Å; Q132-V134 VanDerWaalsContact C-N 3.32Å; Q132-V134 PolarHBondContact O-N 3.4Å; V134-Y137 PolarHBondContact O-N 2.67Å; V134-K138 WeakPolarHBondContact O-CB 3.47Å; V134-K138 PolarHBondContact O-N 3.12Å; V134-I151 HydrophobicContact CG1-CG2 4.46Å; V134-I151 HydrophobicContact CG2-CG2 4.34Å; V134-L155 HydrophobicContact CG2-CD1 4.19Å; V134-M307 HydrophobicContact CG1-CE 4.47Å; V134-M307 HydrophobicContact CG1-CG 4.35Å
135I89.4Confident89.4Confident34 Ų3450.5 Ų50.517%0.17427%0.269CS..Hα-helixtrans-66.1-48.9174.2-67.3166.5000110.7A131 Q132 Y137 K138 E139 F327A131-I135 WeakPolarHBondContact O-CG1 3.13Å; A131-I135 PolarHBondContact O-N 3.29Å; Q132-I135 WeakPolarHBondContact O-CB 3.4Å; Q132-I135 PolarHBondContact O-N 3.43Å; Q132-I135 VanDerWaalsContact O-N 3.15Å; I135-Y137 PolarHBondContact O-N 2.65Å; I135-K138 PolarHBondContact O-N 3.27Å; I135-E139 HydrophobicContact CG2-CG 4.33Å; I135-E139 WeakPolarHBondContact O-CG 3.44Å; I135-E139 PolarHBondContact O-N 2.98Å; I135-F327 HydrophobicContact CD1-CD1 3.66Å; I135-F327 HydrophobicContact CD1-CE1 3.99Å
136E90.9Very high89Confident41 Ų4147.3 Ų47.319%0.19225%0.252CS..Hα-helixtrans-52-44.3174.7-74164.3-165.900111.1T78 P79 S80 Q132 V140T78-E136 VanDerWaalsContact CB-OE2 3.3Å; T78-E136 WeakPolarHBondContact CB-OE2 3.38Å; T78-E136 HydrophobicContact CG2-CB 4.08Å; P79-E136 WeakPolarHBondContact CD-OE2 3.38Å; S80-E136 WeakPolarHBondContact CB-OE1 3.21Å; S80-E136 WeakPolarHBondContact CB-OE2 3.09Å; S80-E136 PolarHBondContact N-OE2 2.91Å; S80-E136 PolarHBondContact OG-OE1 3.42Å; S80-E136 PolarHBondContact OG-OE2 2.74Å; Q132-E136 HydrophobicContact CG-CG 4.48Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.3Å; Q132-E136 WeakPolarHBondContact O-CB 3.48Å; Q132-E136 VanDerWaalsContact O-CG 3.28Å; Q132-E136 WeakPolarHBondContact O-CG 3.41Å; Q132-E136 PolarHBondContact O-N 3.26Å; E136-V140 WeakPolarHBondContact O-CG2 3.41Å
137Y90.8Very high88.7Confident7 Ų748.2 Ų48.23%0.02726%0.258CS..Hα-helixtrans-65.2-44.1175.4170.5-97.8000112.5K74 L75 G133 V134 I135 E139 V140 F141 T147 I151K74-Y137 HydrophobicContact CB-CD2 4.16Å; K74-Y137 HydrophobicContact CB-CE2 3.9Å; L75-Y137 HydrophobicContact CB-CD2 3.97Å; L75-Y137 HydrophobicContact CB-CE2 4.49Å; L75-Y137 HydrophobicContact CB-CG 4.29Å; L75-Y137 HydrophobicContact CD1-CG 4.07Å; G133-Y137 WeakPolarHBondContact O-CB 3.2Å; G133-Y137 PolarHBondContact O-N 3.4Å; V134-Y137 PolarHBondContact O-N 2.67Å; I135-Y137 PolarHBondContact O-N 2.65Å; Y137-E139 PolarHBondContact O-N 2.84Å; Y137-V140 PolarHBondContact O-N 2.9Å; Y137-F141 HydrophobicContact CD2-CB 4.3Å; Y137-F141 AromaticContact CD2-CD2 3.44Å; Y137-F141 HydrophobicContact CD2-CD2 3.44Å; Y137-F141 VanDerWaalsContact CD2-CD2 3.44Å; Y137-F141 HydrophobicContact CD2-CE2 4.15Å; Y137-F141 HydrophobicContact CD2-CG 4.22Å; Y137-F141 HydrophobicContact CE2-CB 3.93Å; Y137-F141 AromaticContact CE2-CD2 3.74Å; Y137-F141 HydrophobicContact CE2-CD2 3.74Å; Y137-F141 HydrophobicContact CE2-CG 4.07Å; Y137-F141 HydrophobicContact CG-CD2 4.26Å; Y137-F141 WeakPolarHBondContact O-CB 3.36Å; Y137-F141 WeakPolarHBondContact O-CD2 3.46Å; Y137-F141 PolarHBondContact O-N 3.15Å; Y137-T147 HydrophobicContact CE1-CG2 4.16Å; Y137-T147 VanDerWaalsContact OH-CG2 3.26Å; Y137-T147 WeakPolarHBondContact OH-CG2 3.45Å; Y137-I151 HydrophobicContact CD1-CD1 4.16Å; Y137-I151 HydrophobicContact CE1-CD1 3.91Å
138K88.3Confident88.4Confident99 Ų9948.8 Ų48.843%0.4326%0.26SS..Hα-helixtrans-67.2-33.4-176.3-179.2176.1178.2-176.40113.5V134 I135 Q143 M307V134-K138 WeakPolarHBondContact O-CB 3.47Å; V134-K138 PolarHBondContact O-N 3.12Å; I135-K138 PolarHBondContact O-N 3.27Å; K138-Q143 HydrophobicContact CG-CG 4.43Å; K138-M307 PolarHBondContact NZ-O 3.37Å
139E87.4Confident88.3Confident151 Ų15152.6 Ų52.671%0.70627%0.274SS*.Hα-helixtrans-72.8-32.3179.2-71.6178.8169.500112.6I135 Y137I135-E139 HydrophobicContact CG2-CG 4.33Å; I135-E139 WeakPolarHBondContact O-CG 3.44Å; I135-E139 PolarHBondContact O-N 2.98Å; Y137-E139 PolarHBondContact O-N 2.84Å
140V88.1Confident88.1Confident103 Ų10352.6 Ų52.662%0.62427%0.273SS*.Hα-helixtrans-94.3-33.2-174.1179.90000112.4E136 Y137E136-V140 WeakPolarHBondContact O-CG2 3.41Å; Y137-V140 PolarHBondContact O-N 2.9Å
141F86Confident88Confident52 Ų5252.5 Ų52.523%0.22827%0.273CS..SBendtrans-116.9140.5-169.7-58.1-69.8000113.2K74 Y137 Q143K74-F141 HydrophobicContact CB-CD2 4.1Å; K74-F141 HydrophobicContact CB-CE1 4.36Å; K74-F141 HydrophobicContact CB-CE2 3.78Å; K74-F141 HydrophobicContact CB-CZ 3.91Å; K74-F141 HydrophobicContact CD-CD1 3.62Å; K74-F141 HydrophobicContact CD-CD2 4.4Å; K74-F141 HydrophobicContact CD-CE1 3.64Å; K74-F141 HydrophobicContact CD-CE2 4.44Å; K74-F141 HydrophobicContact CD-CG 4Å; K74-F141 HydrophobicContact CD-CZ 4.06Å; K74-F141 HydrophobicContact CG-CD1 4.37Å; K74-F141 HydrophobicContact CG-CE1 3.96Å; K74-F141 HydrophobicContact CG-CE2 4.28Å; K74-F141 HydrophobicContact CG-CZ 3.9Å; Y137-F141 HydrophobicContact CD2-CB 4.3Å; Y137-F141 AromaticContact CD2-CD2 3.44Å; Y137-F141 HydrophobicContact CD2-CD2 3.44Å; Y137-F141 VanDerWaalsContact CD2-CD2 3.44Å; Y137-F141 HydrophobicContact CD2-CE2 4.15Å; Y137-F141 HydrophobicContact CD2-CG 4.22Å; Y137-F141 HydrophobicContact CE2-CB 3.93Å; Y137-F141 AromaticContact CE2-CD2 3.74Å; Y137-F141 HydrophobicContact CE2-CD2 3.74Å; Y137-F141 HydrophobicContact CE2-CG 4.07Å; Y137-F141 HydrophobicContact CG-CD2 4.26Å; Y137-F141 WeakPolarHBondContact O-CB 3.36Å; Y137-F141 WeakPolarHBondContact O-CD2 3.46Å; Y137-F141 PolarHBondContact O-N 3.15Å; F141-Q143 PolarHBondContact O-NE2 3.47Å; F141-Q143 VanDerWaalsContact O-NE2 3.09Å
142P82.4Confident88.1Confident107 Ų10754.2 Ų54.270%0.69528%0.281SS*.  trans-61.7141.6175.525.5-31.7000110.1
143Q79.3Confident88.4Confident75 Ų7554.8 Ų54.835%0.3528%0.281SS..  trans-82.9130-176.6-59.5-62.3-70.300110.2K138 F141 N148K138-Q143 HydrophobicContact CG-CG 4.43Å; F141-Q143 PolarHBondContact O-NE2 3.47Å; F141-Q143 VanDerWaalsContact O-NE2 3.09Å; Q143-N148 PolarHBondContact OE1-OD1 3.21Å
144D82.1Confident88.6Confident60 Ų6054.8 Ų54.832%0.32128%0.282SS..  trans-124147172.675.195.2000111V146 T147 N148D144-V146 VanDerWaalsContact C-N 3.3Å; D144-V146 PolarHBondContact O-N 2.74Å; D144-V146 PolarHBondContact OD1-N 3.31Å; D144-T147 PolarHBondContact O-N 3.4Å; D144-T147 WeakPolarHBondContact OD1-CB 3.4Å; D144-T147 PolarHBondContact OD1-N 3.5Å; D144-T147 PolarHBondContact OD1-OG1 3.09Å; D144-T147 WeakPolarHBondContact OD2-CB 3.48Å; D144-T147 PolarHBondContact OD2-OG1 3.38Å; D144-N148 WeakPolarHBondContact O-CB 3.37Å; D144-N148 PolarHBondContact O-N 3.08Å; D144-N148 PolarHBondContact O-ND2 3.31Å; D144-N148 PolarHBondContact O-OD1 2.94Å
145V83.7Confident88.9Confident89 Ų8954.6 Ų54.654%0.53928%0.28SS..Hα-helixtrans-62.2-38.2-171.7179.40000111.6N148 Q149V145-N148 PolarHBondContact O-N 3.34Å; V145-Q149 WeakPolarHBondContact O-CG 3.27Å; V145-Q149 PolarHBondContact O-N 2.94Å
146V84.9Confident89.3Confident24 Ų2454.6 Ų54.615%0.14528%0.281CS..Hα-helixtrans-69-49.1-177.8177.30000111D144 N148 Q149 N150 M385 Q387D144-V146 VanDerWaalsContact C-N 3.3Å; D144-V146 PolarHBondContact O-N 2.74Å; D144-V146 PolarHBondContact OD1-N 3.31Å; V146-N148 PolarHBondContact O-N 2.94Å; V146-Q149 PolarHBondContact O-N 3.19Å; V146-N150 PolarHBondContact O-N 3.47Å; V146-M385 WeakPolarHBondContact CG1-O 3.27Å; V146-Q387 HydrophobicContact CG2-CB 4.18Å; V146-Q387 HydrophobicContact CG2-CG 3.16Å
147T87.3Confident89.6Confident19 Ų1954.7 Ų54.712%0.11728%0.279CS..Hα-helixtrans-60.3-39.7177.2-60.80000110.8P72 Y137 D144 Q149 N150 I151P72-T147 HydrophobicContact CG-CG2 3.58Å; Y137-T147 HydrophobicContact CE1-CG2 4.16Å; Y137-T147 VanDerWaalsContact OH-CG2 3.26Å; Y137-T147 WeakPolarHBondContact OH-CG2 3.45Å; D144-T147 PolarHBondContact O-N 3.4Å; D144-T147 WeakPolarHBondContact OD1-CB 3.4Å; D144-T147 PolarHBondContact OD1-N 3.5Å; D144-T147 PolarHBondContact OD1-OG1 3.09Å; D144-T147 WeakPolarHBondContact OD2-CB 3.48Å; D144-T147 PolarHBondContact OD2-OG1 3.38Å; T147-Q149 PolarHBondContact O-N 3.16Å; T147-N150 PolarHBondContact O-N 2.94Å; T147-I151 HydrophobicContact CG2-CD1 3.62Å; T147-I151 HydrophobicContact CG2-CG1 4.15Å; T147-I151 WeakPolarHBondContact O-CB 3.32Å; T147-I151 VanDerWaalsContact O-CG1 3.25Å; T147-I151 WeakPolarHBondContact O-CG1 3.31Å; T147-I151 PolarHBondContact O-N 3.13Å
148N88Confident90Very high43 Ų4354.3 Ų54.323%0.2328%0.278CS..Hα-helixtrans-63.4-41177.5-66.9-1.7000112.1Q143 D144 V145 V146 I151 Q152 M307Q143-N148 PolarHBondContact OE1-OD1 3.21Å; D144-N148 WeakPolarHBondContact O-CB 3.37Å; D144-N148 PolarHBondContact O-N 3.08Å; D144-N148 PolarHBondContact O-ND2 3.31Å; D144-N148 PolarHBondContact O-OD1 2.94Å; V145-N148 PolarHBondContact O-N 3.34Å; V146-N148 PolarHBondContact O-N 2.94Å; N148-I151 PolarHBondContact O-N 3.3Å; N148-Q152 WeakPolarHBondContact O-CB 3.2Å; N148-Q152 PolarHBondContact O-N 3.12Å; N148-M307 HydrophobicContact CB-SD 3.61Å; N148-M307 WeakPolarHBondContact OD1-CE 3.29Å; N148-M307 PolarHBondContact OD1-SD 2.92Å
149Q88.9Confident90.5Very high123 Ų12349.8 Ų49.858%0.57526%0.258SS*.Hα-helixtrans-63.9-42.8173.6-74.1173.6-12.400111.8V145 V146 T147 Q152 Y153V145-Q149 WeakPolarHBondContact O-CG 3.27Å; V145-Q149 PolarHBondContact O-N 2.94Å; V146-Q149 PolarHBondContact O-N 3.19Å; T147-Q149 PolarHBondContact O-N 3.16Å; Q149-Q152 PolarHBondContact O-N 3.49Å; Q149-Y153 WeakPolarHBondContact O-CB 3.38Å; Q149-Y153 PolarHBondContact O-N 3.43Å
150N90.9Very high91Very high24 Ų2443.2 Ų43.213%0.12823%0.227CC..Hα-helixtrans-63.9-41.8177.4-73.6-14.3000112.2V146 T147 F154 N382 Y383V146-N150 PolarHBondContact O-N 3.47Å; T147-N150 PolarHBondContact O-N 2.94Å; N150-F154 VanDerWaalsContact O-CB 3.3Å; N150-F154 WeakPolarHBondContact O-CB 3.39Å; N150-F154 PolarHBondContact O-N 3.5Å; N150-N382 PolarHBondContact OD1-O 3.31Å; N150-Y383 PolarHBondContact ND2-O 2.77Å
151I92.9Very high91.5Very high1 Ų138.5 Ų38.51%0.00520%0.199CC..Hα-helixtrans-64.9-45.1175.1-69.5169.4000110L75 V134 Y137 T147 N148 F154 L155 M307L75-I151 HydrophobicContact CD2-CD1 3.98Å; L75-I151 HydrophobicContact CD2-CG1 3.91Å; V134-I151 HydrophobicContact CG1-CG2 4.46Å; V134-I151 HydrophobicContact CG2-CG2 4.34Å; Y137-I151 HydrophobicContact CD1-CD1 4.16Å; Y137-I151 HydrophobicContact CE1-CD1 3.91Å; T147-I151 HydrophobicContact CG2-CD1 3.62Å; T147-I151 HydrophobicContact CG2-CG1 4.15Å; T147-I151 WeakPolarHBondContact O-CB 3.32Å; T147-I151 VanDerWaalsContact O-CG1 3.25Å; T147-I151 WeakPolarHBondContact O-CG1 3.31Å; T147-I151 PolarHBondContact O-N 3.13Å; N148-I151 PolarHBondContact O-N 3.3Å; I151-F154 PolarHBondContact O-N 3.01Å; I151-L155 HydrophobicContact CG2-CD1 3.6Å; I151-L155 HydrophobicContact CG2-CG 4.12Å; I151-L155 WeakPolarHBondContact O-CB 3.26Å; I151-L155 VanDerWaalsContact O-CG 3.28Å; I151-L155 WeakPolarHBondContact O-CG 3.26Å; I151-L155 PolarHBondContact O-N 3.32Å; I151-M307 HydrophobicContact CB-SD 4.35Å; I151-M307 HydrophobicContact CD1-CE 4.26Å; I151-M307 HydrophobicContact CD1-SD 4.32Å; I151-M307 HydrophobicContact CG2-SD 4.26Å
152Q94.1Very high92.1Very high36 Ų3636.9 Ų36.917%0.16819%0.191CC..Hα-helixtrans-58.8-50.3176.7-176.766.638.200111.5N148 Q149 F154 L155 D156 F304 S305 Y306N148-Q152 WeakPolarHBondContact O-CB 3.2Å; N148-Q152 PolarHBondContact O-N 3.12Å; Q149-Q152 PolarHBondContact O-N 3.49Å; Q152-F154 VanDerWaalsContact C-N 3.31Å; Q152-F154 PolarHBondContact O-N 3.39Å; Q152-L155 PolarHBondContact O-N 3.05Å; Q152-D156 PolarHBondContact NE2-OD1 3.2Å; Q152-D156 PolarHBondContact O-N 2.94Å; Q152-D156 VanDerWaalsContact O-N 3.09Å; Q152-F304 PolarHBondContact NE2-O 3.37Å; Q152-F304 VanDerWaalsContact NE2-O 3.12Å; Q152-S305 VanDerWaalsContact OE1-CA 3.27Å; Q152-Y306 VanDerWaalsContact NE2-CD2 3.31Å; Q152-Y306 VanDerWaalsContact NE2-CE2 3.31Å; Q152-Y306 VanDerWaalsContact OE1-CD2 3.31Å
153Y95.7Very high92.8Very high58 Ų5832.1 Ų32.123%0.22716%0.16CC..Hα-helixtrans-58.3-43.8177.7174.6-96.3000111.7Q149 R157 N382 Y383Q149-Y153 WeakPolarHBondContact O-CB 3.38Å; Q149-Y153 PolarHBondContact O-N 3.43Å; Y153-R157 WeakPolarHBondContact O-CD 3.38Å; Y153-R157 VanDerWaalsContact O-CG 3.32Å; Y153-R157 WeakPolarHBondContact O-CG 3.44Å; Y153-R157 PolarHBondContact O-N 3.47Å; Y153-R157 WeakPolarHBondContact OH-CD 3.4Å; Y153-R157 PolarHBondContact OH-NE 2.94Å; Y153-R157 PolarHBondContact OH-NH1 3.42Å; Y153-N382 HydrophobicContact CD1-CB 4.13Å; Y153-N382 HydrophobicContact CD2-CB 4.33Å; Y153-N382 HydrophobicContact CE1-CB 3.76Å; Y153-N382 HydrophobicContact CE2-CB 3.96Å; Y153-N382 VanDerWaalsContact CE2-ND2 3.27Å; Y153-N382 WeakPolarHBondContact CE2-ND2 3.38Å; Y153-N382 HydrophobicContact CG-CB 4.4Å; Y153-N382 PolarHBondContact OH-ND2 2.77Å; Y153-Y383 HydrophobicContact CD1-CE1 4.04Å; Y153-Y383 AromaticContact CD1-CE2 3.99Å; Y153-Y383 HydrophobicContact CD1-CE2 3.99Å; Y153-Y383 AromaticContact CD1-CZ 3.65Å; Y153-Y383 HydrophobicContact CE1-CD2 4.27Å; Y153-Y383 HydrophobicContact CE1-CE1 4.48Å; Y153-Y383 AromaticContact CE1-CE2 3.6Å; Y153-Y383 HydrophobicContact CE1-CE2 3.6Å; Y153-Y383 AromaticContact CE1-CZ 3.71Å
154F97.1Very high93.8Very high1 Ų128.6 Ų28.60%0.00414%0.143CC..Hα-helixtrans-63-50.4175.7167.9-97000112.4I64 E67 I68 L71 M130 N150 I151 Q152 D156 R157 F158 Y383I64-F154 HydrophobicContact CD1-CE2 4.4Å; E67-F154 HydrophobicContact CB-CD2 4.31Å; E67-F154 HydrophobicContact CB-CE2 4.49Å; I68-F154 HydrophobicContact CB-CE2 4.2Å; I68-F154 HydrophobicContact CB-CZ 4.45Å; I68-F154 HydrophobicContact CG1-CE2 3.57Å; I68-F154 HydrophobicContact CG1-CZ 3.62Å; L71-F154 HydrophobicContact CD1-CD1 3.86Å; L71-F154 HydrophobicContact CD1-CD2 4.28Å; L71-F154 HydrophobicContact CD1-CE1 3.75Å; L71-F154 HydrophobicContact CD1-CE2 4.17Å; L71-F154 HydrophobicContact CD1-CG 4.15Å; L71-F154 HydrophobicContact CD1-CZ 3.91Å; L71-F154 HydrophobicContact CD2-CB 3.74Å; L71-F154 HydrophobicContact CD2-CD1 3.8Å; L71-F154 HydrophobicContact CD2-CD2 4.1Å; L71-F154 HydrophobicContact CD2-CG 3.57Å; L71-F154 HydrophobicContact CG-CD1 4.26Å; L71-F154 HydrophobicContact CG-CD2 4.17Å; L71-F154 HydrophobicContact CG-CE2 4.45Å; L71-F154 HydrophobicContact CG-CG 4.08Å; M130-F154 HydrophobicContact CE-CD1 4.25Å; M130-F154 HydrophobicContact CE-CE1 3.51Å; M130-F154 HydrophobicContact CE-CZ 4.33Å; M130-F154 HydrophobicContact SD-CE1 4.34Å; N150-F154 VanDerWaalsContact O-CB 3.3Å; N150-F154 WeakPolarHBondContact O-CB 3.39Å; N150-F154 PolarHBondContact O-N 3.5Å; I151-F154 PolarHBondContact O-N 3.01Å; Q152-F154 VanDerWaalsContact C-N 3.31Å; Q152-F154 PolarHBondContact O-N 3.39Å; F154-D156 PolarHBondContact O-N 3.02Å; F154-R157 CarbonylContact O-C 3.52Å; F154-R157 PolarHBondContact O-N 3.39Å; F154-R157 VanDerWaalsContact O-N 3.15Å; F154-F158 HydrophobicContact CD1-CB 4.35Å; F154-F158 HydrophobicContact CE1-CB 3.78Å; F154-F158 HydrophobicContact CE1-CD1 4.4Å; F154-F158 HydrophobicContact CE1-CD2 4.34Å; F154-F158 AromaticContact CE1-CG 3.93Å; F154-F158 HydrophobicContact CE1-CG 3.93Å; F154-F158 HydrophobicContact CE2-CB 4.02Å; F154-F158 HydrophobicContact CE2-CD2 4.25Å; F154-F158 HydrophobicContact CE2-CG 4.4Å; F154-F158 HydrophobicContact CZ-CB 3.6Å; F154-F158 HydrophobicContact CZ-CD1 4.44Å; F154-F158 AromaticContact CZ-CD2 3.6Å; F154-F158 HydrophobicContact CZ-CD2 3.6Å; F154-F158 HydrophobicContact CZ-CE2 4.41Å; F154-F158 AromaticContact CZ-CG 3.63Å; F154-F158 HydrophobicContact CZ-CG 3.63Å; F154-F158 VanDerWaalsContact O-CB 3.25Å; F154-F158 WeakPolarHBondContact O-CB 3.33Å; F154-F158 PolarHBondContact O-N 2.8Å; F154-Y383 WeakPolarHBondContact CA-OH 3.29Å; F154-Y383 HydrophobicContact CB-CE1 3.99Å; F154-Y383 WeakPolarHBondContact CB-OH 3.15Å
155L97.6Very high94.5Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-65-40-173.4-73173.1000111.9M130 V134 I151 Q152 R157 F158 Y159 Y306 Y329M130-L155 HydrophobicContact CE-CD2 4.05Å; M130-L155 HydrophobicContact CG-CD2 3.74Å; V134-L155 HydrophobicContact CG2-CD1 4.19Å; I151-L155 HydrophobicContact CG2-CD1 3.6Å; I151-L155 HydrophobicContact CG2-CG 4.12Å; I151-L155 WeakPolarHBondContact O-CB 3.26Å; I151-L155 VanDerWaalsContact O-CG 3.28Å; I151-L155 WeakPolarHBondContact O-CG 3.26Å; I151-L155 PolarHBondContact O-N 3.32Å; Q152-L155 PolarHBondContact O-N 3.05Å; L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 3.01Å; L155-F158 PolarHBondContact O-N 3.03Å; L155-Y159 HydrophobicContact CB-CD2 4.28Å; L155-Y159 HydrophobicContact CB-CE2 4.14Å; L155-Y159 HydrophobicContact CD2-CE2 3.84Å; L155-Y159 HydrophobicContact CG-CE2 4.49Å; L155-Y159 WeakPolarHBondContact O-CB 3.33Å; L155-Y159 WeakPolarHBondContact O-CD2 3.49Å; L155-Y159 PolarHBondContact O-N 3.17Å; L155-Y306 HydrophobicContact CB-CD2 3.41Å; L155-Y306 VanDerWaalsContact CB-CD2 3.41Å; L155-Y306 HydrophobicContact CB-CE2 3.38Å; L155-Y306 HydrophobicContact CB-CG 4.05Å; L155-Y306 VanDerWaalsContact CD1-CB 3.43Å; L155-Y306 HydrophobicContact CD1-CD1 4.23Å; L155-Y306 HydrophobicContact CD1-CD2 3.56Å; L155-Y306 HydrophobicContact CD1-CE2 4.37Å; L155-Y306 HydrophobicContact CD1-CG 3.48Å; L155-Y306 VanDerWaalsContact CD1-CG 3.48Å; L155-Y306 HydrophobicContact CG-CD2 4.14Å; L155-Y306 HydrophobicContact CG-CG 4.41Å; L155-Y329 HydrophobicContact CD1-CE1 4.48Å
156D97.9Very high95.2Very high34 Ų3426.5 Ų26.518%0.18212%0.122CC..Hα-helixtrans-54.8-47.4173.6-87.1-4.9000110.5Q152 F154 M160 Y306 R335 L336Q152-D156 PolarHBondContact NE2-OD1 3.2Å; Q152-D156 PolarHBondContact O-N 2.94Å; Q152-D156 VanDerWaalsContact O-N 3.09Å; F154-D156 PolarHBondContact O-N 3.02Å; D156-M160 VanDerWaalsContact O-CB 3.24Å; D156-M160 WeakPolarHBondContact O-CB 3.44Å; D156-M160 PolarHBondContact O-N 3.33Å; D156-M160 VanDerWaalsContact O-N 3.07Å; D156-Y306 VanDerWaalsContact OD1-CE2 3.28Å; D156-Y306 WeakPolarHBondContact OD1-CE2 3.25Å; D156-Y306 PolarHBondContact OD1-OH 3.02Å; D156-R335 IonicContact OD2-NH2 3.6Å; D156-L336 HydrophobicContact CB-CD2 4.14Å; D156-L336 WeakPolarHBondContact O-CD1 3.31Å
157R98.4Very high95.8Very high42 Ų4225.4 Ų25.416%0.15812%0.115CC..Hα-helixtrans-73.4-40.3-178.7-67172.261.985.7-0.3112.4I64 E67 Y153 F154 L155 M160 S161 P373 V374I64-R157 HydrophobicContact CD1-CB 4.43Å; E67-R157 IonicContact OE1-CZ 2.79Å; E67-R157 IonicContact OE1-NE 3.73Å; E67-R157 PolarHBondContact OE1-NE 2.97Å; E67-R157 IonicContact OE1-NH2 2.67Å; E67-R157 PolarHBondContact OE1-NH2 2.88Å; E67-R157 IonicContact OE2-CZ 3.59Å; E67-R157 IonicContact OE2-NE 3.55Å; E67-R157 PolarHBondContact OE2-NE 3.44Å; E67-R157 IonicContact OE2-NH2 3.39Å; E67-R157 PolarHBondContact OE2-NH2 2.73Å; Y153-R157 WeakPolarHBondContact O-CD 3.38Å; Y153-R157 VanDerWaalsContact O-CG 3.32Å; Y153-R157 WeakPolarHBondContact O-CG 3.44Å; Y153-R157 PolarHBondContact O-N 3.47Å; Y153-R157 WeakPolarHBondContact OH-CD 3.4Å; Y153-R157 PolarHBondContact OH-NE 2.94Å; Y153-R157 PolarHBondContact OH-NH1 3.42Å; F154-R157 CarbonylContact O-C 3.52Å; F154-R157 PolarHBondContact O-N 3.39Å; F154-R157 VanDerWaalsContact O-N 3.15Å; L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 3.01Å; R157-M160 PolarHBondContact O-N 3.07Å; R157-S161 WeakPolarHBondContact O-CB 3.42Å; R157-S161 PolarHBondContact O-N 3.49Å; R157-P373 HydrophobicContact CB-CB 3.87Å; R157-P373 HydrophobicContact CB-CG 4.49Å; R157-P373 HydrophobicContact CG-CB 4.14Å; R157-P373 WeakPolarHBondContact O-CG 3.22Å; R157-V374 VanDerWaalsContact NH2-C 3.3Å; R157-V374 PolarHBondContact NH2-O 2.88Å
158F98.6Very high96.3Very high0 Ų024.8 Ų24.80%011%0.111CC..Hα-helixtrans-61.2-48.8178.7175.7-104.7000111.7I64 I68 V84 Y88 V126 M130 F154 L155 S161 R162I64-F158 VanDerWaalsContact CD1-CA 3.48Å; I64-F158 HydrophobicContact CD1-CB 4.04Å; I64-F158 HydrophobicContact CD1-CD2 4.34Å; I64-F158 HydrophobicContact CG1-CB 4.27Å; I64-F158 HydrophobicContact CG1-CD2 3.67Å; I64-F158 HydrophobicContact CG1-CG 4.44Å; I68-F158 HydrophobicContact CD1-CD2 4.33Å; I68-F158 HydrophobicContact CD1-CE2 3.98Å; I68-F158 HydrophobicContact CG1-CD2 4.41Å; V84-F158 HydrophobicContact CG1-CE2 4.18Å; V84-F158 HydrophobicContact CG1-CZ 3.69Å; Y88-F158 HydrophobicContact CE1-CE2 4.31Å; Y88-F158 AromaticContact CE2-CE2 3.74Å; Y88-F158 HydrophobicContact CE2-CE2 3.74Å; Y88-F158 AromaticContact CE2-CZ 3.8Å; Y88-F158 HydrophobicContact CE2-CZ 3.8Å; Y88-F158 AromaticContact CZ-CE2 3.55Å; Y88-F158 AromaticContact CZ-CZ 3.89Å; Y88-F158 VanDerWaalsContact OH-CE2 3.32Å; Y88-F158 WeakPolarHBondContact OH-CE2 3.25Å; Y88-F158 WeakPolarHBondContact OH-CZ 3.45Å; V126-F158 HydrophobicContact CG1-CE1 3.57Å; V126-F158 HydrophobicContact CG1-CZ 3.42Å; V126-F158 VanDerWaalsContact CG1-CZ 3.42Å; M130-F158 HydrophobicContact CB-CE1 4.15Å; M130-F158 HydrophobicContact CG-CD1 4.36Å; M130-F158 HydrophobicContact CG-CE1 4.04Å; F154-F158 HydrophobicContact CD1-CB 4.35Å; F154-F158 HydrophobicContact CE1-CB 3.78Å; F154-F158 HydrophobicContact CE1-CD1 4.4Å; F154-F158 HydrophobicContact CE1-CD2 4.34Å; F154-F158 AromaticContact CE1-CG 3.93Å; F154-F158 HydrophobicContact CE1-CG 3.93Å; F154-F158 HydrophobicContact CE2-CB 4.02Å; F154-F158 HydrophobicContact CE2-CD2 4.25Å; F154-F158 HydrophobicContact CE2-CG 4.4Å; F154-F158 HydrophobicContact CZ-CB 3.6Å; F154-F158 HydrophobicContact CZ-CD1 4.44Å; F154-F158 AromaticContact CZ-CD2 3.6Å; F154-F158 HydrophobicContact CZ-CD2 3.6Å; F154-F158 HydrophobicContact CZ-CE2 4.41Å; F154-F158 AromaticContact CZ-CG 3.63Å; F154-F158 HydrophobicContact CZ-CG 3.63Å; F154-F158 VanDerWaalsContact O-CB 3.25Å; F154-F158 WeakPolarHBondContact O-CB 3.33Å; F154-F158 PolarHBondContact O-N 2.8Å; L155-F158 PolarHBondContact O-N 3.03Å; F158-S161 PolarHBondContact O-N 3.12Å; F158-R162 PolarHBondContact O-N 2.91Å
159Y98.4Very high96.7Very high4 Ų422.9 Ų22.92%0.01610%0.101CC..Hα-helixtrans-71.8-34.7178.5-67-47.9000112.5V127 M130 L155 R162 I163 Y306 Y329 I333 L336V127-Y159 HydrophobicContact CB-CE1 4.21Å; V127-Y159 HydrophobicContact CG1-CE1 4.34Å; V127-Y159 HydrophobicContact CG2-CD1 4.01Å; V127-Y159 HydrophobicContact CG2-CE1 3.76Å; V127-Y159 PolarHBondContact O-OH 2.99Å; M130-Y159 WeakPolarHBondContact CB-OH 3.36Å; L155-Y159 HydrophobicContact CB-CD2 4.28Å; L155-Y159 HydrophobicContact CB-CE2 4.14Å; L155-Y159 HydrophobicContact CD2-CE2 3.84Å; L155-Y159 HydrophobicContact CG-CE2 4.49Å; L155-Y159 WeakPolarHBondContact O-CB 3.33Å; L155-Y159 WeakPolarHBondContact O-CD2 3.49Å; L155-Y159 PolarHBondContact O-N 3.17Å; Y159-R162 PolarHBondContact O-N 3.37Å; Y159-I163 VanDerWaalsContact O-CG1 3.31Å; Y159-I163 WeakPolarHBondContact O-CG1 3.3Å; Y159-I163 PolarHBondContact O-N 3.28Å; Y159-Y306 AromaticContact CD2-CE1 3.91Å; Y159-Y306 HydrophobicContact CD2-CE1 3.91Å; Y159-Y306 AromaticContact CD2-CZ 3.88Å; Y159-Y306 HydrophobicContact CE2-CD1 4.34Å; Y159-Y306 AromaticContact CE2-CE1 3.81Å; Y159-Y306 HydrophobicContact CE2-CE1 3.81Å; Y159-Y329 AromaticContact CE2-CD1 3.73Å; Y159-Y329 HydrophobicContact CE2-CD1 3.73Å; Y159-Y329 AromaticContact CE2-CE1 3.67Å; Y159-Y329 HydrophobicContact CE2-CE1 3.67Å; Y159-Y329 AromaticContact CZ-CD1 3.94Å; Y159-Y329 AromaticContact CZ-CE1 3.84Å; Y159-Y329 WeakPolarHBondContact OH-CE1 3.49Å; Y159-I333 HydrophobicContact CD2-CG1 4.37Å; Y159-L336 VanDerWaalsContact CB-CD1 3.44Å; Y159-L336 HydrophobicContact CG-CD1 4.49Å
160M98.6Very high97Very high12 Ų1218.4 Ų18.46%0.0598%0.081CC..Hα-helixtrans-59.9-47.4170.7-173.269.171.600111.6D156 R157 R162 I163 S164 L336 K339 Y340 R371D156-M160 VanDerWaalsContact O-CB 3.24Å; D156-M160 WeakPolarHBondContact O-CB 3.44Å; D156-M160 PolarHBondContact O-N 3.33Å; D156-M160 VanDerWaalsContact O-N 3.07Å; R157-M160 PolarHBondContact O-N 3.07Å; M160-R162 VanDerWaalsContact C-N 3.3Å; M160-R162 PolarHBondContact O-N 3.18Å; M160-I163 PolarHBondContact O-N 3.2Å; M160-S164 PolarHBondContact O-N 2.75Å; M160-L336 HydrophobicContact CE-CB 4.09Å; M160-L336 HydrophobicContact CE-CD2 3.78Å; M160-L336 WeakPolarHBondContact CE-O 3.46Å; M160-K339 HydrophobicContact CE-CB 3.78Å; M160-Y340 HydrophobicContact SD-CD2 3.79Å; M160-Y340 HydrophobicContact SD-CG 4.21Å; M160-R371 WeakPolarHBondContact CG-O 3.26Å; M160-R371 VanDerWaalsContact SD-O 3.35Å
161S98.5Very high97.1Very high4 Ų417.9 Ų17.93%0.0288%0.078CC..Hα-helixtrans-57-45.2174.7-174.40000111.2R157 F158 S164 I165R157-S161 WeakPolarHBondContact O-CB 3.42Å; R157-S161 PolarHBondContact O-N 3.49Å; F158-S161 PolarHBondContact O-N 3.12Å; S161-S164 PolarHBondContact O-N 2.87Å; S161-S164 PolarHBondContact O-OG 2.89Å; S161-I165 WeakPolarHBondContact O-CG1 3.38Å; S161-I165 PolarHBondContact O-N 3.13Å
162R98.1Very high97.1Very high19 Ų1918 Ų187%0.0728%0.078CC..Hα-helixtrans-63.1-44.1178.6-177.5178.5176.7-89.68112.8H123 N124 F158 Y159 M160 S164 I165 R166H123-R162 PolarHBondContact O-NE 3.03Å; H123-R162 PolarHBondContact O-NH2 3.44Å; N124-R162 PolarHBondContact O-NH2 3.11Å; N124-R162 VanDerWaalsContact O-NH2 3.08Å; F158-R162 PolarHBondContact O-N 2.91Å; Y159-R162 PolarHBondContact O-N 3.37Å; M160-R162 VanDerWaalsContact C-N 3.3Å; M160-R162 PolarHBondContact O-N 3.18Å; R162-S164 PolarHBondContact O-N 2.81Å; R162-I165 PolarHBondContact O-N 2.86Å; R162-R166 WeakPolarHBondContact O-CB 3.45Å; R162-R166 PolarHBondContact O-N 2.81Å
163I98.4Very high97.1Very high6 Ų616.3 Ų16.33%0.0317%0.07CC..Hα-helixtrans-55.7-46.2175.2-71.1164000109.1Y159 M160 R166 M167 L336 Y337 Y340Y159-I163 VanDerWaalsContact O-CG1 3.31Å; Y159-I163 WeakPolarHBondContact O-CG1 3.3Å; Y159-I163 PolarHBondContact O-N 3.28Å; M160-I163 PolarHBondContact O-N 3.2Å; I163-R166 PolarHBondContact O-N 2.84Å; I163-M167 WeakPolarHBondContact O-CB 3.15Å; I163-M167 PolarHBondContact O-N 3.03Å; I163-L336 HydrophobicContact CD1-CB 3.97Å; I163-Y337 HydrophobicContact CB-CE1 4.5Å; I163-Y337 HydrophobicContact CD1-CD1 3.95Å; I163-Y337 HydrophobicContact CD1-CD2 4.2Å; I163-Y337 HydrophobicContact CD1-CE1 3.97Å; I163-Y337 HydrophobicContact CD1-CE2 4.23Å; I163-Y337 HydrophobicContact CD1-CG 4.07Å; I163-Y337 HydrophobicContact CG1-CD1 4.24Å; I163-Y337 HydrophobicContact CG1-CE1 3.8Å; I163-Y337 HydrophobicContact CG2-CD1 4.07Å; I163-Y337 HydrophobicContact CG2-CE1 3.92Å; I163-Y340 HydrophobicContact CG2-CD1 3.66Å; I163-Y340 HydrophobicContact CG2-CD2 4.19Å; I163-Y340 HydrophobicContact CG2-CE1 3.89Å; I163-Y340 HydrophobicContact CG2-CE2 4.43Å; I163-Y340 HydrophobicContact CG2-CG 3.81Å
164S98.5Very high96.8Very high1 Ų118 Ų181%0.0078%0.083CC..Hα-helixtrans-65-41.9-179.3900000113.7R60 M160 S161 R162 R166 M167 L168 Y340R60-S164 PolarHBondContact NH1-O 3.48Å; R60-S164 PolarHBondContact NH1-OG 2.94Å; R60-S164 VanDerWaalsContact NH1-OG 3.14Å; M160-S164 PolarHBondContact O-N 2.75Å; S161-S164 PolarHBondContact O-N 2.87Å; S161-S164 PolarHBondContact O-OG 2.89Å; R162-S164 PolarHBondContact O-N 2.81Å; S164-R166 VanDerWaalsContact C-N 3.35Å; S164-M167 WeakPolarHBondContact O-CB 2.83Å; S164-M167 PolarHBondContact O-N 3.27Å; S164-L168 PolarHBondContact O-N 3.35Å; S164-L168 VanDerWaalsContact O-N 3.08Å; S164-Y340 WeakPolarHBondContact CA-OH 3.46Å
165I98.4Very high96.4Very high7 Ų720 Ų204%0.03610%0.095CC..Hα-helixtrans-64.8-43176.7-71162.8000109.9L57 R60 L61 S161 R162 M167 L168 I169L57-I165 HydrophobicContact CD2-CG2 4.14Å; R60-I165 HydrophobicContact CB-CD1 4.18Å; R60-I165 HydrophobicContact CB-CG1 3.95Å; L61-I165 HydrophobicContact CD2-CD1 3.8Å; L61-I165 HydrophobicContact CG-CD1 4.2Å; S161-I165 WeakPolarHBondContact O-CG1 3.38Å; S161-I165 PolarHBondContact O-N 3.13Å; R162-I165 PolarHBondContact O-N 2.86Å; I165-M167 VanDerWaalsContact C-N 3.33Å; I165-M167 PolarHBondContact O-N 2.99Å; I165-L168 PolarHBondContact O-N 3.12Å; I165-I169 HydrophobicContact CG2-CD1 3.78Å; I165-I169 WeakPolarHBondContact O-CG1 3.27Å; I165-I169 PolarHBondContact O-N 3.23Å
166R97.5Very high95.9Very high98 Ų9821.6 Ų21.637%0.3710%0.102SC..Hα-helixtrans-64.9-37.7176.9-172.2172.1-176.4173.30.6111.6R162 I163 S164 N170R162-R166 WeakPolarHBondContact O-CB 3.45Å; R162-R166 PolarHBondContact O-N 2.81Å; I163-R166 PolarHBondContact O-N 2.84Å; S164-R166 VanDerWaalsContact C-N 3.35Å; R166-N170 WeakPolarHBondContact O-CB 3.35Å; R166-N170 PolarHBondContact O-N 3.09Å
167M97.8Very high94.9Very high2 Ų223.3 Ų23.31%0.0111%0.111CC..Hα-helixtrans-59.4-51.3175-178.162.5-178.200111.2F36 I163 S164 I165 I169 N170 Q171 I191 V241 Y340 F341F36-M167 HydrophobicContact CD2-CE 4.12Å; F36-M167 HydrophobicContact CE2-CE 4.13Å; F36-M167 HydrophobicContact CE2-CG 4.39Å; F36-M167 HydrophobicContact CG-CE 4.33Å; F36-M167 HydrophobicContact CZ-CE 4.35Å; F36-M167 HydrophobicContact CZ-CG 4.06Å; I163-M167 WeakPolarHBondContact O-CB 3.15Å; I163-M167 PolarHBondContact O-N 3.03Å; S164-M167 WeakPolarHBondContact O-CB 2.83Å; S164-M167 PolarHBondContact O-N 3.27Å; I165-M167 VanDerWaalsContact C-N 3.33Å; I165-M167 PolarHBondContact O-N 2.99Å; M167-I169 PolarHBondContact O-N 3.14Å; M167-N170 PolarHBondContact O-N 2.93Å; M167-Q171 HydrophobicContact CE-CG 3.88Å; M167-Q171 WeakPolarHBondContact O-CB 3.47Å; M167-Q171 VanDerWaalsContact O-CG 3.26Å; M167-Q171 WeakPolarHBondContact O-CG 3.14Å; M167-Q171 PolarHBondContact O-N 3.27Å; M167-Q171 HydrophobicContact SD-CG 4.29Å; M167-I191 HydrophobicContact CE-CD1 3.7Å; M167-I191 HydrophobicContact CE-CG1 3.8Å; M167-V241 HydrophobicContact CE-CG2 3.83Å; M167-V241 HydrophobicContact SD-CG2 4.08Å; M167-Y340 HydrophobicContact CB-CE1 4.22Å; M167-Y340 WeakPolarHBondContact CB-OH 3.31Å; M167-Y340 HydrophobicContact CG-CE1 4.21Å; M167-Y340 VanDerWaalsContact CG-OH 3.3Å; M167-Y340 WeakPolarHBondContact CG-OH 3.31Å; M167-F341 HydrophobicContact CE-CZ 4.18Å
168L97.8Very high93.3Very high5 Ų524.7 Ų24.73%0.02614%0.139CC..Hα-helixtrans-60.4-46.9178.3-73-173.9000113L31 F36 F52 L53 E56 L57 R60 S164 I165 Q171 H172L31-L168 HydrophobicContact CD1-CD2 4.02Å; F36-L168 HydrophobicContact CE1-CD2 3.83Å; F36-L168 HydrophobicContact CZ-CD2 3.86Å; F52-L168 HydrophobicContact CE1-CD1 4.46Å; F52-L168 HydrophobicContact CE1-CD2 4.12Å; L53-L168 HydrophobicContact CD2-CB 3.72Å; L53-L168 HydrophobicContact CD2-CD1 3.79Å; L53-L168 HydrophobicContact CD2-CD2 4.09Å; L53-L168 HydrophobicContact CD2-CG 4.08Å; E56-L168 HydrophobicContact CG-CD1 3.9Å; L57-L168 HydrophobicContact CD2-CB 4.19Å; L57-L168 HydrophobicContact CD2-CD1 4.02Å; R60-L168 VanDerWaalsContact CZ-CD1 3.4Å; S164-L168 PolarHBondContact O-N 3.35Å; S164-L168 VanDerWaalsContact O-N 3.08Å; I165-L168 PolarHBondContact O-N 3.12Å; L168-Q171 PolarHBondContact O-N 3.48Å; L168-H172 PolarHBondContact O-N 3.03Å; L168-H172 VanDerWaalsContact O-N 3.12Å
169I97Very high91.5Very high4 Ų429 Ų292%0.02117%0.165CC..Hα-helixtrans-62.4-49.2178.8-70.5172.2000110.5L57 L116 I119 R120 I165 M167 Q171 H172 T173L57-I169 HydrophobicContact CD1-CG1 4.36Å; L57-I169 HydrophobicContact CD2-CG1 4.38Å; L116-I169 HydrophobicContact CB-CG2 4.04Å; L116-I169 HydrophobicContact CD2-CG1 4.25Å; I119-I169 HydrophobicContact CG2-CD1 3.88Å; R120-I169 HydrophobicContact CB-CG2 3.99Å; R120-I169 HydrophobicContact CG-CG2 4.49Å; I165-I169 HydrophobicContact CG2-CD1 3.78Å; I165-I169 WeakPolarHBondContact O-CG1 3.27Å; I165-I169 PolarHBondContact O-N 3.23Å; M167-I169 PolarHBondContact O-N 3.14Å; I169-Q171 VanDerWaalsContact C-N 3.3Å; I169-Q171 PolarHBondContact O-N 3.35Å; I169-H172 PolarHBondContact O-N 3.43Å; I169-T173 HydrophobicContact CG2-CG2 4.26Å; I169-T173 WeakPolarHBondContact O-CG2 3.42Å; I169-T173 PolarHBondContact O-N 3.24Å; I169-T173 PolarHBondContact O-OG1 3.31Å; I169-T173 VanDerWaalsContact O-OG1 3.05Å
170N94.2Very high89.1Confident28 Ų2835 Ų3515%0.1520%0.202CC..Hα-helixtrans-59.6-43.7-180-78-7.3000111.1R120 R166 M167 H172 T173 L174R120-N170 WeakPolarHBondContact CD-OD1 3.37Å; R166-N170 WeakPolarHBondContact O-CB 3.35Å; R166-N170 PolarHBondContact O-N 3.09Å; M167-N170 PolarHBondContact O-N 2.93Å; N170-H172 PolarHBondContact O-N 3.48Å; N170-T173 WeakPolarHBondContact CA-OG1 2.98Å; N170-T173 PolarHBondContact O-N 3.44Å; N170-T173 PolarHBondContact O-OG1 3.12Å; N170-T173 VanDerWaalsContact O-OG1 3.1Å; N170-L174 HydrophobicContact CB-CD1 4.36Å; N170-L174 VanDerWaalsContact O-CB 3.26Å; N170-L174 WeakPolarHBondContact O-CB 3.5Å; N170-L174 VanDerWaalsContact O-CG 3.23Å; N170-L174 WeakPolarHBondContact O-CG 3.16Å; N170-L174 PolarHBondContact O-N 3.35Å
171Q93.1Very high86.8Confident14 Ų1441 Ų417%0.06524%0.235CC..Hα-helixtrans-59-48.8178.2-77.4-67.54.200112.2F36 M167 L168 I169 V175 I188 S190 I191F36-Q171 HydrophobicContact CD1-CG 3.9Å; F36-Q171 HydrophobicContact CE1-CG 4.02Å; M167-Q171 HydrophobicContact CE-CG 3.88Å; M167-Q171 WeakPolarHBondContact O-CB 3.47Å; M167-Q171 VanDerWaalsContact O-CG 3.26Å; M167-Q171 WeakPolarHBondContact O-CG 3.14Å; M167-Q171 PolarHBondContact O-N 3.27Å; M167-Q171 HydrophobicContact SD-CG 4.29Å; L168-Q171 PolarHBondContact O-N 3.48Å; I169-Q171 VanDerWaalsContact C-N 3.3Å; I169-Q171 PolarHBondContact O-N 3.35Å; Q171-V175 WeakPolarHBondContact O-CB 3.44Å; Q171-V175 WeakPolarHBondContact O-CG2 3.28Å; Q171-V175 PolarHBondContact O-N 3.25Å; Q171-V175 VanDerWaalsContact O-N 3.13Å; Q171-I188 PolarHBondContact NE2-O 2.97Å; Q171-I188 PolarHBondContact OE1-O 3Å; Q171-S190 PolarHBondContact NE2-OG 3.12Å; Q171-I191 VanDerWaalsContact NE2-CD1 3.27Å; Q171-I191 VanDerWaalsContact NE2-CG1 3.33Å
172H94.2Very high85Confident2 Ų244.1 Ų44.11%0.00926%0.255CS..Hα-helixtrans-63.3-47.7178.1-171.589000112.2S49 L53 F112 L116 L168 I169 N170 V175 F176S49-H172 WeakPolarHBondContact CB-ND1 3.3Å; S49-H172 PolarHBondContact OG-ND1 3.02Å; L53-H172 HydrophobicContact CD1-CB 3.5Å; L53-H172 VanDerWaalsContact CD1-CB 3.5Å; F112-H172 AromaticContact CD1-NE2 3.64Å; F112-H172 AromaticContact CE1-NE2 3.98Å; L116-H172 HydrophobicContact CD1-CB 4.05Å; L168-H172 PolarHBondContact O-N 3.03Å; L168-H172 VanDerWaalsContact O-N 3.12Å; I169-H172 PolarHBondContact O-N 3.43Å; N170-H172 PolarHBondContact O-N 3.48Å; H172-V175 PolarHBondContact O-N 2.96Å; H172-F176 AromaticContact CE1-CD2 3.79Å; H172-F176 AromaticContact CG-CD2 3.94Å; H172-F176 AromaticContact ND1-CD2 3.59Å; H172-F176 AromaticContact ND1-CE2 3.91Å; H172-F176 WeakPolarHBondContact O-CB 3.22Å; H172-F176 VanDerWaalsContact O-CD2 3.25Å; H172-F176 WeakPolarHBondContact O-CD2 3.41Å; H172-F176 PolarHBondContact O-N 2.98Å
173T92.5Very high83.1Confident1 Ų149.5 Ų49.51%0.00629%0.289CS..Hα-helixtrans-64.1-45.8-179.657.60000111.6V113 L116 V117 R120 I169 N170 V175 F176 D177V113-T173 HydrophobicContact CG1-CG2 4.45Å; L116-T173 HydrophobicContact CB-CG2 4.23Å; V117-T173 HydrophobicContact CG2-CG2 3.82Å; R120-T173 PolarHBondContact NH1-OG1 3.4Å; I169-T173 HydrophobicContact CG2-CG2 4.26Å; I169-T173 WeakPolarHBondContact O-CG2 3.42Å; I169-T173 PolarHBondContact O-N 3.24Å; I169-T173 PolarHBondContact O-OG1 3.31Å; I169-T173 VanDerWaalsContact O-OG1 3.05Å; N170-T173 WeakPolarHBondContact CA-OG1 2.98Å; N170-T173 PolarHBondContact O-N 3.44Å; N170-T173 PolarHBondContact O-OG1 3.12Å; N170-T173 VanDerWaalsContact O-OG1 3.1Å; T173-V175 VanDerWaalsContact C-N 3.28Å; T173-V175 PolarHBondContact O-N 2.98Å; T173-F176 PolarHBondContact O-N 2.89Å; T173-D177 WeakPolarHBondContact O-CA 3.35Å; T173-D177 WeakPolarHBondContact O-CB 3.38Å; T173-D177 PolarHBondContact O-N 3.46Å
174L90.1Very high81.6Confident93 Ų9354.9 Ų54.949%0.48731%0.314SS..Hα-helixtrans-69.7-26.4-176.7-68.5169.1000113.1N170N170-L174 HydrophobicContact CB-CD1 4.36Å; N170-L174 VanDerWaalsContact O-CB 3.26Å; N170-L174 WeakPolarHBondContact O-CB 3.5Å; N170-L174 VanDerWaalsContact O-CG 3.23Å; N170-L174 WeakPolarHBondContact O-CG 3.16Å; N170-L174 PolarHBondContact O-N 3.35Å
175V88.2Confident80.1Confident44 Ų4459.7 Ų59.727%0.26735%0.346SS..Hα-helixtrans-85.4-32.5177.4178.70000112A44 Q171 H172 T173A44-V175 HydrophobicContact CB-CG1 4.33Å; Q171-V175 WeakPolarHBondContact O-CB 3.44Å; Q171-V175 WeakPolarHBondContact O-CG2 3.28Å; Q171-V175 PolarHBondContact O-N 3.25Å; Q171-V175 VanDerWaalsContact O-N 3.13Å; H172-V175 PolarHBondContact O-N 2.96Å; T173-V175 VanDerWaalsContact C-N 3.28Å; T173-V175 PolarHBondContact O-N 2.98Å
176F87.7Confident79.1Confident33 Ų3365.8 Ų65.815%0.14538%0.378CS..Hα-helixtrans-121.4-3.4-168.6-53.6-65000116.4F39 A44 E46 H172 T173 G178F39-F176 HydrophobicContact CE1-CE2 4.13Å; F39-F176 AromaticContact CE1-CZ 3.96Å; F39-F176 HydrophobicContact CE1-CZ 3.96Å; F39-F176 HydrophobicContact CZ-CZ 4.18Å; A44-F176 HydrophobicContact CB-CE1 4.45Å; E46-F176 HydrophobicContact CB-CD1 3.66Å; E46-F176 HydrophobicContact CB-CD2 4.46Å; E46-F176 HydrophobicContact CB-CE1 3.77Å; E46-F176 HydrophobicContact CB-CG 4.04Å; E46-F176 HydrophobicContact CB-CZ 4.24Å; E46-F176 HydrophobicContact CG-CB 4.12Å; E46-F176 HydrophobicContact CG-CD1 3.98Å; E46-F176 HydrophobicContact CG-CD2 4.2Å; E46-F176 HydrophobicContact CG-CE1 4.47Å; E46-F176 HydrophobicContact CG-CG 3.84Å; H172-F176 AromaticContact CE1-CD2 3.79Å; H172-F176 AromaticContact CG-CD2 3.94Å; H172-F176 AromaticContact ND1-CD2 3.59Å; H172-F176 AromaticContact ND1-CE2 3.91Å; H172-F176 WeakPolarHBondContact O-CB 3.22Å; H172-F176 VanDerWaalsContact O-CD2 3.25Å; H172-F176 WeakPolarHBondContact O-CD2 3.41Å; H172-F176 PolarHBondContact O-N 2.98Å; T173-F176 PolarHBondContact O-N 2.89Å; F176-G178 PolarHBondContact O-N 3.45Å
177D76.9Confident78.5Confident70 Ų7062.8 Ų62.837%0.37437%0.371SS..SBendtrans-70.710.7-178.9-169.535.3000114.3V113 T173 T179V113-D177 HydrophobicContact CG1-CB 4.23Å; T173-D177 WeakPolarHBondContact O-CA 3.35Å; T173-D177 WeakPolarHBondContact O-CB 3.38Å; T173-D177 PolarHBondContact O-N 3.46Å; D177-T179 PolarHBondContact O-N 3.36Å
178G63.9Low78Confident71 Ų7164 Ų6473%0.73238%0.377SS*.  trans64.35170.900000116.1F176 T180F176-G178 PolarHBondContact O-N 3.45Å; G178-T180 PolarHBondContact O-N 3.18Å
179T61.3Low77.6Confident91 Ų9164.3 Ų64.356%0.55838%0.381SS*.  trans-72.2111.6178.150.20000109.9D177 N181D177-T179 PolarHBondContact O-N 3.36Å; T179-N181 PolarHBondContact O-N 3.11Å
180T48.1Very low77.3Confident129 Ų12964.9 Ų64.979%0.79139%0.385SS*.SBendtrans-68.7-3.8-174.549.90000114.7G178G178-T180 PolarHBondContact O-N 3.18Å
181N50.1Low77.4Confident139 Ų13963.5 Ų63.574%0.74338%0.378SS*.SBendtrans-13281.7179.5-72-25.5000109.9T179 V183T179-N181 PolarHBondContact O-N 3.11Å; N181-V183 PolarHBondContact O-N 3.41Å
182P60.3Low77.4Confident70 Ų7064.6 Ų64.646%0.45539%0.385SS..  trans-56.8133.3168.624.8-35.2000109.7H184 P185P182-H184 PolarHBondContact O-N 3.18Å; P182-H184 VanDerWaalsContact O-N 3.08Å; P182-P185 HydrophobicContact CG-CB 4.32Å
183V60Low77.4Confident131 Ų13166.8 Ų66.879%0.79440%0.399SS*.SBendtrans-53.5-30.2176.2178.50000111.2N181N181-V183 PolarHBondContact O-N 3.41Å
184H65.6Low77.4Confident120 Ų12074 Ų7456%0.55643%0.432SS*.SBendtrans-127.6100.6171.8-58.6-66.5000109.9P182 N186 T187P182-H184 PolarHBondContact O-N 3.18Å; P182-H184 VanDerWaalsContact O-N 3.08Å; H184-N186 PolarHBondContact O-N 3.06Å; H184-N186 VanDerWaalsContact O-N 3.15Å; H184-T187 HydrophobicContact CB-CG2 3.58Å; H184-T187 PolarHBondContact O-N 3.43Å; H184-T187 PolarHBondContact O-OG1 3Å
185P66.6Low77.6Confident102 Ų10269.6 Ų69.666%0.66241%0.409SS*.THydrogen-bonded Turntrans-66.2-17.2-175.623.2-31.8000114.3P182P182-P185 HydrophobicContact CG-CB 4.32Å
186N77.9Confident77.9Confident134 Ų13469.4 Ų69.472%0.71741%0.407SS*.THydrogen-bonded Turntrans-94.2-0.8-179-62.6-19.4000113.7H184 P193H184-N186 PolarHBondContact O-N 3.06Å; H184-N186 VanDerWaalsContact O-N 3.15Å; N186-P193 WeakPolarHBondContact O-CD 3.49Å
187T85.1Confident78.3Confident35 Ų3567.9 Ų67.922%0.21540%0.4CS..  trans-93.5144.1-179.457.20000112H184 G189 I191 D192H184-T187 HydrophobicContact CB-CG2 3.58Å; H184-T187 PolarHBondContact O-N 3.43Å; H184-T187 PolarHBondContact O-OG1 3Å; T187-G189 PolarHBondContact OG1-O 3.26Å; T187-I191 CarbonylContact C-O 3.57Å; T187-I191 WeakPolarHBondContact CA-O 3.34Å; T187-I191 WeakPolarHBondContact CB-O 3.4Å; T187-D192 HydrophobicContact CG2-CB 4.05Å
188I87.5Confident79.3Confident29 Ų2964.8 Ų64.815%0.14939%0.385CS..BIsolated β-bridgetrans-95.697.1170.7-60.9163.8000107.4I37 Q171 S190 I191I37-I188 HydrophobicContact CB-CD1 4.31Å; I37-I188 HydrophobicContact CG1-CD1 4.25Å; I37-I188 HydrophobicContact CG2-CD1 3.77Å; Q171-I188 PolarHBondContact NE2-O 2.97Å; Q171-I188 PolarHBondContact OE1-O 3Å; I188-S190 PolarHBondContact O-N 3.46Å; I188-S190 VanDerWaalsContact O-N 3.12Å; I188-I191 PolarHBondContact N-O 2.86Å; I188-I191 PolarHBondContact O-N 3.39Å
189G88.9Confident80.8Confident11 Ų1165.8 Ų65.811%0.11337%0.373CS..THydrogen-bonded Turntrans57.3-111.5-167.500000110.9T187T187-G189 PolarHBondContact OG1-O 3.26Å
190S91.6Very high82.6Confident15 Ų1562 Ų6211%0.10535%0.351CS..THydrogen-bonded Turntrans-97.3-0.1176.962.10000114.9Q171 I188 V241Q171-S190 PolarHBondContact NE2-OG 3.12Å; I188-S190 PolarHBondContact O-N 3.46Å; I188-S190 VanDerWaalsContact O-N 3.12Å; S190-V241 WeakPolarHBondContact O-CG1 3.49Å
191I94.9Very high85Confident0 Ų055.9 Ų55.90%031%0.313CS..BIsolated β-bridgetrans-98.5130.7-177.8-65.2164.2000109.7F36 I37 M167 Q171 T187 I188 V239 V241F36-I191 HydrophobicContact CB-CD1 3.37Å; F36-I191 HydrophobicContact CD2-CD1 4.29Å; F36-I191 HydrophobicContact CG-CD1 4Å; I37-I191 HydrophobicContact CD1-CG2 3.84Å; I37-I191 HydrophobicContact CG1-CD1 4.46Å; I37-I191 HydrophobicContact CG1-CG2 3.93Å; M167-I191 HydrophobicContact CE-CD1 3.7Å; M167-I191 HydrophobicContact CE-CG1 3.8Å; Q171-I191 VanDerWaalsContact NE2-CD1 3.27Å; Q171-I191 VanDerWaalsContact NE2-CG1 3.33Å; T187-I191 CarbonylContact C-O 3.57Å; T187-I191 WeakPolarHBondContact CA-O 3.34Å; T187-I191 WeakPolarHBondContact CB-O 3.4Å; I188-I191 PolarHBondContact N-O 2.86Å; I188-I191 PolarHBondContact O-N 3.39Å; I191-V239 HydrophobicContact CG2-CG1 4.01Å; I191-V241 HydrophobicContact CG1-CG2 3.68Å
192D94.5Very high87.2Confident37 Ų3752.2 Ų52.220%0.19829%0.291CS..EExtended strand (participates in β ladder)trans-97.3115.8168.5-174-12.4000109.1T187 Q194 C195 Y240 P242T187-D192 HydrophobicContact CG2-CB 4.05Å; D192-Q194 PolarHBondContact O-N 3.49Å; D192-Q194 VanDerWaalsContact OD1-C 3.29Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.42Å; D192-Q194 PolarHBondContact OD1-N 3.08Å; D192-C195 HydrophobicContact CB-CB 3.96Å; D192-C195 PolarHBondContact OD1-N 2.75Å; D192-C195 WeakPolarHBondContact OD2-CA 3.31Å; D192-Y240 PolarHBondContact N-O 3.34Å; D192-Y240 PolarHBondContact O-N 3.28Å; D192-Y240 VanDerWaalsContact O-N 3.1Å; D192-P242 HydrophobicContact CB-CG 3.56Å
193P93.3Very high89Confident48 Ų4853.2 Ų53.231%0.31229%0.293SS..EExtended strand (participates in β ladder)trans-68.8-15.9177.729.4-34.8000113.3N186 V239N186-P193 WeakPolarHBondContact O-CD 3.49Å; P193-V239 WeakPolarHBondContact O-CG2 3.41Å
194Q93.2Very high90.9Very high151 Ų15147 Ų4771%0.70626%0.255SS*.EExtended strand (participates in β ladder)trans-131.543179.1-65-170.5-20.800111.3D192 N196D192-Q194 PolarHBondContact O-N 3.49Å; D192-Q194 VanDerWaalsContact OD1-C 3.29Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.42Å; D192-Q194 PolarHBondContact OD1-N 3.08Å; Q194-N196 PolarHBondContact O-N 3.34Å
195C94.3Very high92.4Very high1 Ų141.5 Ų41.51%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-56.5108.7179.9-174.10000110.7D192 V197 S237 I238D192-C195 HydrophobicContact CB-CB 3.96Å; D192-C195 PolarHBondContact OD1-N 2.75Å; D192-C195 WeakPolarHBondContact OD2-CA 3.31Å; C195-V197 PolarHBondContact O-N 3.25Å; C195-S237 VanDerWaalsContact O-CA 3.29Å; C195-S237 WeakPolarHBondContact O-CA 3.41Å; C195-I238 WeakPolarHBondContact CA-O 3.24Å; C195-I238 WeakPolarHBondContact CB-O 3.34Å; C195-I238 PolarHBondContact N-O 3.17Å; C195-I238 PolarHBondContact O-N 3.21Å; C195-I238 VanDerWaalsContact O-N 3.08Å
196N94.9Very high93.9Very high41 Ų4141 Ų4122%0.21922%0.218CC..EExtended strand (participates in β ladder)trans-74.4113.4173.3-175.7-12.4000109.5Q194 G198 D199 V200Q194-N196 PolarHBondContact O-N 3.34Å; N196-G198 PolarHBondContact OD1-N 3.28Å; N196-G198 VanDerWaalsContact OD1-N 3.09Å; N196-D199 HydrophobicContact CB-CB 4.25Å; N196-D199 WeakPolarHBondContact CB-OD2 3.48Å; N196-D199 VanDerWaalsContact CG-OD2 3.23Å; N196-D199 PolarHBondContact ND2-OD1 3.34Å; N196-D199 PolarHBondContact ND2-OD2 2.95Å; N196-D199 PolarHBondContact O-N 3.47Å; N196-V200 WeakPolarHBondContact O-CG2 3.19Å; N196-V200 PolarHBondContact O-N 3.45Å
197V96.4Very high94.8Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-69-36.7-174.7179.70000111.4C195 D199 V200 V201 I236 I238 L245 V277 M284 I286C195-V197 PolarHBondContact O-N 3.25Å; V197-D199 VanDerWaalsContact C-N 3.33Å; V197-D199 PolarHBondContact O-N 3.12Å; V197-V200 PolarHBondContact O-N 3.17Å; V197-V201 HydrophobicContact CG1-CG2 4.33Å; V197-V201 VanDerWaalsContact O-CG2 3.29Å; V197-V201 WeakPolarHBondContact O-CG2 3.47Å; V197-V201 PolarHBondContact O-N 2.82Å; V197-I236 HydrophobicContact CB-CG2 4.4Å; V197-I236 HydrophobicContact CG2-CG2 4.06Å; V197-I236 PolarHBondContact N-O 2.92Å; V197-I238 HydrophobicContact CG2-CG1 4.02Å; V197-L245 HydrophobicContact CG1-CD2 4.3Å; V197-V277 HydrophobicContact CB-CG1 4.2Å; V197-V277 HydrophobicContact CG1-CG1 3.66Å; V197-V277 HydrophobicContact CG1-CG2 4.07Å; V197-M284 HydrophobicContact CG1-CE 4.23Å; V197-M284 HydrophobicContact CG2-CE 3.64Å; V197-I286 HydrophobicContact CG1-CD1 3.64Å; V197-I286 HydrophobicContact CG1-CG1 4.15Å
198G96.4Very high95.4Very high5 Ų535 Ų355%0.05219%0.188CC..Hα-helixtrans-61-41.8179.300000112.3N196 V201 Q202 E226N196-G198 PolarHBondContact OD1-N 3.28Å; N196-G198 VanDerWaalsContact OD1-N 3.09Å; G198-V201 WeakPolarHBondContact O-CB 3.38Å; G198-V201 PolarHBondContact O-N 3.1Å; G198-Q202 WeakPolarHBondContact O-CB 3.47Å; G198-Q202 PolarHBondContact O-N 3.29Å; G198-E226 WeakPolarHBondContact CA-OE1 3.42Å
199D96.4Very high95.8Very high92 Ų9235.8 Ų35.849%0.49219%0.19SC..Hα-helixtrans-65.1-45.7178.6-62.3-19.4000111.1N196 V197 V201 Q202 D203N196-D199 HydrophobicContact CB-CB 4.25Å; N196-D199 WeakPolarHBondContact CB-OD2 3.48Å; N196-D199 VanDerWaalsContact CG-OD2 3.23Å; N196-D199 PolarHBondContact ND2-OD1 3.34Å; N196-D199 PolarHBondContact ND2-OD2 2.95Å; N196-D199 PolarHBondContact O-N 3.47Å; V197-D199 VanDerWaalsContact C-N 3.33Å; V197-D199 PolarHBondContact O-N 3.12Å; D199-V201 VanDerWaalsContact C-N 3.31Å; D199-V201 PolarHBondContact O-N 3.4Å; D199-Q202 WeakPolarHBondContact O-CB 3.32Å; D199-Q202 PolarHBondContact O-N 3.31Å; D199-Q202 VanDerWaalsContact O-N 3.12Å; D199-D203 PolarHBondContact O-N 3.28Å
200V97.8Very high96.1Very high13 Ų1342 Ų428%0.07922%0.218CC..Hα-helixtrans-64.1-37.2178.2-178.10000111.8N196 V197 A204 P242 L245 L249N196-V200 WeakPolarHBondContact O-CG2 3.19Å; N196-V200 PolarHBondContact O-N 3.45Å; V197-V200 PolarHBondContact O-N 3.17Å; V200-A204 VanDerWaalsContact O-CB 3.31Å; V200-A204 WeakPolarHBondContact O-CB 3.46Å; V200-A204 PolarHBondContact O-N 3.37Å; V200-P242 HydrophobicContact CG2-CB 4.29Å; V200-L245 HydrophobicContact CB-CD2 4.09Å; V200-L245 HydrophobicContact CB-CG 4.43Å; V200-L245 HydrophobicContact CG1-CB 4.09Å; V200-L245 HydrophobicContact CG1-CD2 3.95Å; V200-L245 HydrophobicContact CG1-CG 3.77Å; V200-L245 HydrophobicContact CG2-CD2 4.44Å; V200-L249 HydrophobicContact CG1-CD1 4.24Å
201V98.4Very high96.1Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-59.9-47.6172.31660000110.8V197 G198 D199 F205 L222 L224 L249 F253 V275 V277V197-V201 HydrophobicContact CG1-CG2 4.33Å; V197-V201 VanDerWaalsContact O-CG2 3.29Å; V197-V201 WeakPolarHBondContact O-CG2 3.47Å; V197-V201 PolarHBondContact O-N 2.82Å; G198-V201 WeakPolarHBondContact O-CB 3.38Å; G198-V201 PolarHBondContact O-N 3.1Å; D199-V201 VanDerWaalsContact C-N 3.31Å; D199-V201 PolarHBondContact O-N 3.4Å; V201-F205 VanDerWaalsContact O-CB 3.31Å; V201-F205 WeakPolarHBondContact O-CB 3.48Å; V201-F205 PolarHBondContact O-N 2.87Å; V201-L222 HydrophobicContact CG1-CD2 4.39Å; V201-L224 HydrophobicContact CG1-CD1 4.12Å; V201-L224 HydrophobicContact CG1-CD2 4.37Å; V201-L249 HydrophobicContact CB-CD1 4.4Å; V201-L249 HydrophobicContact CG2-CD1 3.63Å; V201-L249 HydrophobicContact CG2-CD2 4.29Å; V201-F253 HydrophobicContact CG1-CE2 4.46Å; V201-F253 HydrophobicContact CG1-CZ 4.03Å; V201-F253 WeakPolarHBondContact O-CE2 3.3Å; V201-V275 HydrophobicContact CG1-CB 4.36Å; V201-V275 HydrophobicContact CG1-CG1 3.99Å; V201-V275 HydrophobicContact CG1-CG2 4.36Å; V201-V275 HydrophobicContact CG2-CG1 4.36Å; V201-V277 HydrophobicContact CG2-CG2 4.41Å
202Q98.2Very high96Very high62 Ų6243 Ų4329%0.2922%0.222SC..Hα-helixtrans-65.1-43.8-178.6-166.266.646.800111.4G198 D199 F205 H206 L222G198-Q202 WeakPolarHBondContact O-CB 3.47Å; G198-Q202 PolarHBondContact O-N 3.29Å; D199-Q202 WeakPolarHBondContact O-CB 3.32Å; D199-Q202 PolarHBondContact O-N 3.31Å; D199-Q202 VanDerWaalsContact O-N 3.12Å; Q202-F205 PolarHBondContact O-N 3.47Å; Q202-H206 WeakPolarHBondContact CG-CE1 3.46Å; Q202-H206 PolarHBondContact NE2-CE1 3.15Å; Q202-H206 PolarHBondContact NE2-NE2 3.38Å; Q202-H206 VanDerWaalsContact O-CG 3.29Å; Q202-H206 PolarHBondContact O-N 2.92Å; Q202-H206 PolarHBondContact O-ND1 2.86Å; Q202-L222 VanDerWaalsContact OE1-CD2 3.31Å
203D97.9Very high96Very high90 Ų9043.8 Ų43.848%0.48123%0.226SC..Hα-helixtrans-62.7-45.3177.6-74.3-13.3000112.4D199 F205 S207 Y246D199-D203 PolarHBondContact O-N 3.28Å; D203-F205 VanDerWaalsContact C-N 3.35Å; D203-S207 WeakPolarHBondContact O-CB 3.4Å; D203-S207 PolarHBondContact O-N 3.03Å; D203-S207 VanDerWaalsContact O-N 3.07Å; D203-S207 PolarHBondContact O-OG 3.37Å; D203-Y246 HydrophobicContact CB-CD2 4.34Å; D203-Y246 HydrophobicContact CB-CE2 4.28Å
204A98.3Very high95.9Very high0 Ų048.6 Ų48.60%025%0.245CC..Hα-helixtrans-64.7-40.517700000111.6V200 A208 Y246 L249 F250 F253V200-A204 VanDerWaalsContact O-CB 3.31Å; V200-A204 WeakPolarHBondContact O-CB 3.46Å; V200-A204 PolarHBondContact O-N 3.37Å; A204-A208 WeakPolarHBondContact O-CB 3.44Å; A204-A208 PolarHBondContact O-N 3.29Å; A204-Y246 VanDerWaalsContact CA-CE2 3.48Å; A204-Y246 HydrophobicContact CB-CD2 3.83Å; A204-Y246 HydrophobicContact CB-CE2 4.01Å; A204-Y246 HydrophobicContact CB-CG 4.48Å; A204-L249 HydrophobicContact CB-CB 3.68Å; A204-F250 HydrophobicContact CB-CB 4.26Å; A204-F253 HydrophobicContact CB-CD2 4.03Å; A204-F253 HydrophobicContact CB-CE2 4.05Å
205F98.5Very high95.6Very high6 Ų649.2 Ų49.23%0.02624%0.241CC..Hα-helixtrans-64.4-49.6176.8178.9-93.8000111.7V201 Q202 D203 S207 A208 K209 P220 L222 F253 M257 I273V201-F205 VanDerWaalsContact O-CB 3.31Å; V201-F205 WeakPolarHBondContact O-CB 3.48Å; V201-F205 PolarHBondContact O-N 2.87Å; Q202-F205 PolarHBondContact O-N 3.47Å; D203-F205 VanDerWaalsContact C-N 3.35Å; F205-S207 VanDerWaalsContact C-N 3.32Å; F205-S207 PolarHBondContact O-N 2.86Å; F205-A208 PolarHBondContact O-N 3.46Å; F205-K209 HydrophobicContact CE1-CB 4.37Å; F205-K209 HydrophobicContact CE1-CD 4.02Å; F205-K209 VanDerWaalsContact O-CB 3.29Å; F205-K209 WeakPolarHBondContact O-CB 3.34Å; F205-K209 PolarHBondContact O-N 2.99Å; F205-P220 WeakPolarHBondContact CZ-O 3.3Å; F205-L222 HydrophobicContact CB-CD2 3.95Å; F205-L222 HydrophobicContact CD1-CB 3.76Å; F205-L222 HydrophobicContact CD1-CD2 3.99Å; F205-L222 HydrophobicContact CD1-CG 4.43Å; F205-L222 HydrophobicContact CD2-CB 3.92Å; F205-L222 HydrophobicContact CD2-CD1 4Å; F205-L222 HydrophobicContact CD2-CD2 4.31Å; F205-L222 HydrophobicContact CD2-CG 4.3Å; F205-L222 HydrophobicContact CE1-CB 3.56Å; F205-L222 HydrophobicContact CE2-CB 3.71Å; F205-L222 HydrophobicContact CE2-CD1 4.33Å; F205-L222 HydrophobicContact CG-CB 3.94Å; F205-L222 HydrophobicContact CG-CD1 4.34Å; F205-L222 HydrophobicContact CG-CD2 3.81Å; F205-L222 HydrophobicContact CG-CG 4.26Å; F205-L222 HydrophobicContact CZ-CB 3.54Å; F205-F253 HydrophobicContact CB-CD2 4.01Å; F205-F253 HydrophobicContact CB-CE1 4.38Å; F205-F253 HydrophobicContact CB-CE2 3.75Å; F205-F253 HydrophobicContact CB-CG 4.44Å; F205-F253 HydrophobicContact CB-CZ 3.94Å; F205-F253 AromaticContact CD2-CD1 3.75Å; F205-F253 HydrophobicContact CD2-CD1 3.75Å; F205-F253 AromaticContact CD2-CE1 3.77Å; F205-F253 HydrophobicContact CD2-CE1 3.77Å; F205-F253 HydrophobicContact CD2-CG 4.18Å; F205-F253 HydrophobicContact CD2-CZ 4.19Å; F205-M257 HydrophobicContact CD2-CE 3.52Å; F205-M257 HydrophobicContact CE1-CE 4.39Å; F205-M257 HydrophobicContact CE2-CE 3.26Å; F205-M257 HydrophobicContact CG-CE 4.2Å; F205-M257 HydrophobicContact CZ-CE 3.74Å; F205-I273 HydrophobicContact CE2-CD1 4.35Å
206H98Very high95.4Very high92 Ų9251.7 Ų51.743%0.42625%0.251SS..Hα-helixtrans-59.9-42.2179.3-71.4135.8000112.3Q202 K209 M210Q202-H206 WeakPolarHBondContact CG-CE1 3.46Å; Q202-H206 PolarHBondContact NE2-CE1 3.15Å; Q202-H206 PolarHBondContact NE2-NE2 3.38Å; Q202-H206 VanDerWaalsContact O-CG 3.29Å; Q202-H206 PolarHBondContact O-N 2.92Å; Q202-H206 PolarHBondContact O-ND1 2.86Å; H206-K209 WeakPolarHBondContact O-CB 3.18Å; H206-K209 PolarHBondContact O-N 3.37Å; H206-M210 WeakPolarHBondContact O-CG 3.26Å; H206-M210 PolarHBondContact O-N 3.48Å
207S96.8Very high95.2Very high41 Ų4157.3 Ų57.329%0.28728%0.28SS..Hα-helixtrans-64.5-41.5177.3-56.70000112.2D203 F205 L211 Y246D203-S207 WeakPolarHBondContact O-CB 3.4Å; D203-S207 PolarHBondContact O-N 3.03Å; D203-S207 VanDerWaalsContact O-N 3.07Å; D203-S207 PolarHBondContact O-OG 3.37Å; F205-S207 VanDerWaalsContact C-N 3.32Å; F205-S207 PolarHBondContact O-N 2.86Å; S207-L211 PolarHBondContact O-N 3.3Å; S207-Y246 WeakPolarHBondContact CB-OH 3.36Å; S207-Y246 PolarHBondContact OG-OH 2.89Å
208A96.7Very high95Very high0 Ų060.6 Ų60.60%029%0.293CS..Hα-helixtrans-67-39.2174.100000111.6A204 F205 L211 C212 F250 F253 K254 M257A204-A208 WeakPolarHBondContact O-CB 3.44Å; A204-A208 PolarHBondContact O-N 3.29Å; F205-A208 PolarHBondContact O-N 3.46Å; A208-L211 PolarHBondContact O-N 3.43Å; A208-C212 VanDerWaalsContact O-CB 3.26Å; A208-C212 WeakPolarHBondContact O-CB 3.23Å; A208-C212 PolarHBondContact O-N 3.42Å; A208-F250 HydrophobicContact CB-CD2 4.05Å; A208-F250 HydrophobicContact CB-CE2 4.2Å; A208-F253 HydrophobicContact CB-CB 3.61Å; A208-K254 HydrophobicContact CB-CG 4.23Å; A208-M257 VanDerWaalsContact C-SD 3.56Å; A208-M257 HydrophobicContact CB-CE 4.06Å; A208-M257 HydrophobicContact CB-SD 3.84Å
209K96.4Very high95Very high46 Ų4661.2 Ų61.220%0.230%0.296CS..Hα-helixtrans-60.6-45.5177.4-168-170.8175.270.90110.9F205 H206 L211 C212 D213 S219 P220 D221 M257F205-K209 HydrophobicContact CE1-CB 4.37Å; F205-K209 HydrophobicContact CE1-CD 4.02Å; F205-K209 VanDerWaalsContact O-CB 3.29Å; F205-K209 WeakPolarHBondContact O-CB 3.34Å; F205-K209 PolarHBondContact O-N 2.99Å; H206-K209 WeakPolarHBondContact O-CB 3.18Å; H206-K209 PolarHBondContact O-N 3.37Å; K209-L211 PolarHBondContact O-N 3.34Å; K209-C212 CarbonylContact O-C 3.59Å; K209-C212 WeakPolarHBondContact O-CB 3.35Å; K209-C212 PolarHBondContact O-N 3.48Å; K209-C212 VanDerWaalsContact O-N 3.15Å; K209-D213 WeakPolarHBondContact O-CB 3.48Å; K209-D213 VanDerWaalsContact O-CG 3.32Å; K209-D213 PolarHBondContact O-N 2.94Å; K209-S219 VanDerWaalsContact CE-OG 3.27Å; K209-S219 WeakPolarHBondContact CE-OG 3.49Å; K209-S219 WeakPolarHBondContact CG-OG 2.89Å; K209-S219 PolarHBondContact NZ-OG 3.08Å; K209-P220 PolarHBondContact NZ-O 2.99Å; K209-D221 IonicContact NZ-OD1 3.82Å; K209-M257 HydrophobicContact CB-CE 3.89Å
210M95.3Very high95Very high142 Ų14256.9 Ų56.970%0.727%0.273SS*.Hα-helixtrans-56-46.7175.8-72.5-102.1-67.300112.3H206 Q214H206-M210 WeakPolarHBondContact O-CG 3.26Å; H206-M210 PolarHBondContact O-N 3.48Å; M210-Q214 WeakPolarHBondContact O-CB 3.36Å; M210-Q214 PolarHBondContact O-N 2.84Å
211L92.1Very high95Very high37 Ų3761.4 Ų61.419%0.19430%0.297CS..Hα-helixtrans-66.5-39.7176.5-74.3167000112.2S207 A208 K209 Q214 Y215 F250 L324S207-L211 PolarHBondContact O-N 3.3Å; A208-L211 PolarHBondContact O-N 3.43Å; K209-L211 PolarHBondContact O-N 3.34Å; L211-Q214 PolarHBondContact O-N 2.95Å; L211-Y215 PolarHBondContact O-N 2.9Å; L211-Y215 VanDerWaalsContact O-N 3.15Å; L211-F250 HydrophobicContact CD1-CE2 3.75Å; L211-F250 HydrophobicContact CD1-CZ 3.4Å; L211-L324 HydrophobicContact CB-CD1 4.06Å
212C92.3Very high95Very high0 Ų063 Ų630%031%0.305CS..Hα-helixtrans-63.3-45.7177.3-172.70000111.6A208 K209 Q214 Y215 Y216 R218 M257 I261A208-C212 VanDerWaalsContact O-CB 3.26Å; A208-C212 WeakPolarHBondContact O-CB 3.23Å; A208-C212 PolarHBondContact O-N 3.42Å; K209-C212 CarbonylContact O-C 3.59Å; K209-C212 WeakPolarHBondContact O-CB 3.35Å; K209-C212 PolarHBondContact O-N 3.48Å; K209-C212 VanDerWaalsContact O-N 3.15Å; C212-Q214 VanDerWaalsContact C-N 3.35Å; C212-Y215 PolarHBondContact O-N 2.96Å; C212-Y216 PolarHBondContact O-N 3.48Å; C212-R218 PolarHBondContact SG-O 3.41Å; C212-M257 HydrophobicContact CB-CB 4.44Å; C212-M257 HydrophobicContact CB-SD 3.77Å; C212-I261 WeakPolarHBondContact SG-CD1 3.36Å
213D93.6Very high95Very high53 Ų5363.5 Ų63.528%0.28331%0.312SS..Hα-helixtrans-65.3-38.3176.8-72.3-25.7000111.1K209 Y215 L217 S219K209-D213 WeakPolarHBondContact O-CB 3.48Å; K209-D213 VanDerWaalsContact O-CG 3.32Å; K209-D213 PolarHBondContact O-N 2.94Å; D213-Y215 VanDerWaalsContact C-N 3.28Å; D213-Y215 PolarHBondContact O-N 3.45Å; D213-L217 WeakPolarHBondContact O-CA 3.44Å; D213-L217 PolarHBondContact O-N 3.43Å; D213-S219 VanDerWaalsContact CG-OG 3.28Å; D213-S219 WeakPolarHBondContact OD1-CB 3.48Å; D213-S219 PolarHBondContact OD1-N 2.9Å; D213-S219 PolarHBondContact OD1-OG 3.36Å; D213-S219 PolarHBondContact OD2-OG 3.05Å
214Q91.4Very high95Very high149 Ų14961.9 Ų61.970%0.69630%0.303SS*.Hα-helixtrans-62.3-35.3175.2-174178.9-2.400112.6M210 L211 C212M210-Q214 WeakPolarHBondContact O-CB 3.36Å; M210-Q214 PolarHBondContact O-N 2.84Å; L211-Q214 PolarHBondContact O-N 2.95Å; C212-Q214 VanDerWaalsContact C-N 3.35Å
215Y87.8Confident94.8Very high163 Ų16366.4 Ų66.464%0.63933%0.325SS*.Hα-helixtrans-92-41.6-175.3-167-96.8000113.7L211 C212 D213L211-Y215 PolarHBondContact O-N 2.9Å; L211-Y215 VanDerWaalsContact O-N 3.15Å; C212-Y215 PolarHBondContact O-N 2.96Å; D213-Y215 VanDerWaalsContact C-N 3.28Å; D213-Y215 PolarHBondContact O-N 3.45Å
216Y88.8Confident94.6Very high54 Ų5469.4 Ų69.421%0.21234%0.339CS..Hα-helixtrans-109.6-4.2-174.4-64.6-69.1000114.1C212 R218 I261 E262 L324C212-Y216 PolarHBondContact O-N 3.48Å; Y216-R218 PolarHBondContact O-N 3.33Å; Y216-R218 VanDerWaalsContact O-N 3.08Å; Y216-I261 HydrophobicContact CD1-CG2 3.81Å; Y216-I261 HydrophobicContact CD2-CD1 3.64Å; Y216-I261 HydrophobicContact CD2-CG2 4.26Å; Y216-I261 HydrophobicContact CE1-CG2 4.22Å; Y216-I261 HydrophobicContact CE2-CD1 4.35Å; Y216-I261 HydrophobicContact CG-CD1 3.94Å; Y216-I261 HydrophobicContact CG-CG2 3.85Å; Y216-E262 PolarHBondContact OH-OE1 3.41Å; Y216-L324 HydrophobicContact CD2-CD2 4.02Å; Y216-L324 HydrophobicContact CE2-CD2 3.31Å
217L91.7Very high94.2Very high159 Ų15969.2 Ų69.283%0.83234%0.339SS*.SBendtrans59.314.2-175.4-54.4175.5000114.4D213D213-L217 WeakPolarHBondContact O-CA 3.44Å; D213-L217 PolarHBondContact O-N 3.43Å
218R92.6Very high93.7Very high69 Ų6968.2 Ų68.226%0.2633%0.33SS..  trans-160.4159178.166.6-170-56.8-160-0.2110.3C212 Y216 I261 R267 N268 L270C212-R218 PolarHBondContact SG-O 3.41Å; Y216-R218 PolarHBondContact O-N 3.33Å; Y216-R218 VanDerWaalsContact O-N 3.08Å; R218-I261 HydrophobicContact CG-CD1 4.45Å; R218-I261 VanDerWaalsContact O-CD1 3.29Å; R218-I261 WeakPolarHBondContact O-CD1 3.48Å; R218-R267 PolarHBondContact NH1-O 3.02Å; R218-R267 PolarHBondContact NH2-O 3.07Å; R218-N268 VanDerWaalsContact NH2-C 3.29Å; R218-N268 PolarHBondContact NH2-O 3.11Å; R218-L270 HydrophobicContact CG-CD1 4.24Å
219S95.3Very high92.9Very high18 Ų1876.3 Ų76.313%0.12637%0.368CS..  trans-154.6153.2178.651.20000111.3K209 D213K209-S219 VanDerWaalsContact CE-OG 3.27Å; K209-S219 WeakPolarHBondContact CE-OG 3.49Å; K209-S219 WeakPolarHBondContact CG-OG 2.89Å; K209-S219 PolarHBondContact NZ-OG 3.08Å; D213-S219 VanDerWaalsContact CG-OG 3.28Å; D213-S219 WeakPolarHBondContact OD1-CB 3.48Å; D213-S219 PolarHBondContact OD1-N 2.9Å; D213-S219 PolarHBondContact OD1-OG 3.36Å; D213-S219 PolarHBondContact OD2-OG 3.05Å
220P96.8Very high91.7Very high1 Ų179.7 Ų79.71%0.00638%0.382CS..PPolyproline II helixtrans-69.6163.5172.430.8-35.1000111.5F205 K209 M257 T260 L270 P271 I273F205-P220 WeakPolarHBondContact CZ-O 3.3Å; K209-P220 PolarHBondContact NZ-O 2.99Å; P220-M257 HydrophobicContact CG-CB 4.36Å; P220-M257 HydrophobicContact CG-CG 3.79Å; P220-T260 HydrophobicContact CB-CG2 4.3Å; P220-L270 HydrophobicContact CB-CB 4.28Å; P220-P271 WeakPolarHBondContact CB-O 3.34Å; P220-I273 HydrophobicContact CB-CG1 4.26Å; P220-I273 HydrophobicContact CG-CD1 3.64Å; P220-I273 HydrophobicContact CG-CG1 3.9Å
221D97.6Very high90.7Very high107 Ų10775.9 Ų75.957%0.57237%0.367SS*.PPolyproline II helixtrans-88.8164.1172.7-64.3-38.8000112K209 P272 I273K209-D221 IonicContact NZ-OD1 3.82Å; D221-P272 HydrophobicContact CB-CB 4.31Å; D221-P272 CarbonylContact O-C 3.39Å; D221-P272 VanDerWaalsContact O-CA 3.26Å; D221-P272 WeakPolarHBondContact O-CA 3.47Å; D221-P272 WeakPolarHBondContact O-CB 3.36Å; D221-I273 PolarHBondContact O-N 2.83Å
222L98.4Very high89.7Confident33 Ų3384.2 Ų84.217%0.17340%0.402CS..EExtended strand (participates in β ladder)trans-102134.7175.8178.263.3000110.7V201 Q202 F205 L224 F253 V275V201-L222 HydrophobicContact CG1-CD2 4.39Å; Q202-L222 VanDerWaalsContact OE1-CD2 3.31Å; F205-L222 HydrophobicContact CB-CD2 3.95Å; F205-L222 HydrophobicContact CD1-CB 3.76Å; F205-L222 HydrophobicContact CD1-CD2 3.99Å; F205-L222 HydrophobicContact CD1-CG 4.43Å; F205-L222 HydrophobicContact CD2-CB 3.92Å; F205-L222 HydrophobicContact CD2-CD1 4Å; F205-L222 HydrophobicContact CD2-CD2 4.31Å; F205-L222 HydrophobicContact CD2-CG 4.3Å; F205-L222 HydrophobicContact CE1-CB 3.56Å; F205-L222 HydrophobicContact CE2-CB 3.71Å; F205-L222 HydrophobicContact CE2-CD1 4.33Å; F205-L222 HydrophobicContact CG-CB 3.94Å; F205-L222 HydrophobicContact CG-CD1 4.34Å; F205-L222 HydrophobicContact CG-CD2 3.81Å; F205-L222 HydrophobicContact CG-CG 4.26Å; F205-L222 HydrophobicContact CZ-CB 3.54Å; L222-L224 HydrophobicContact CG-CB 4.49Å; L222-F253 HydrophobicContact CD1-CE1 4.27Å; L222-F253 HydrophobicContact CD1-CZ 4.41Å; L222-V275 HydrophobicContact CD1-CB 4.18Å; L222-V275 HydrophobicContact CD1-CG2 3.53Å
223V98.4Very high88.5Confident73 Ų7389.2 Ų89.244%0.44244%0.437SS..EExtended strand (participates in β ladder)trans-120.1105165.5177.20000108.3P272 I273 K274 V275V223-P272 HydrophobicContact CG2-CB 3.9Å; V223-P272 HydrophobicContact CG2-CG 4.07Å; V223-I273 PolarHBondContact N-O 2.77Å; V223-K274 HydrophobicContact CB-CG 4.31Å; V223-K274 CarbonylContact O-C 3.59Å; V223-K274 WeakPolarHBondContact O-CA 3.41Å; V223-V275 PolarHBondContact O-N 3.45Å
224L97.4Very high87.7Confident56 Ų5692.3 Ų92.329%0.29345%0.45SS..EExtended strand (participates in β ladder)trans-97129.5178.6176.758.3000110.8V201 L222 V275 V277V201-L224 HydrophobicContact CG1-CD1 4.12Å; V201-L224 HydrophobicContact CG1-CD2 4.37Å; L222-L224 HydrophobicContact CG-CB 4.49Å; L224-V275 WeakPolarHBondContact CA-O 3.48Å; L224-V275 HydrophobicContact CD1-CB 3.98Å; L224-V275 HydrophobicContact CD1-CG1 3.84Å; L224-V277 HydrophobicContact CD1-CG2 3.86Å
225Q95.4Very high87.4Confident96 Ų9688.7 Ų88.745%0.44944%0.439SS..EExtended strand (participates in β ladder)trans-126.5128.3173.1-176.5176.215.100110.2M227 V275 M276 V277Q225-M227 VanDerWaalsContact NE2-CE 3.31Å; Q225-V275 PolarHBondContact N-O 2.81Å; Q225-M276 CarbonylContact O-C 3.55Å; Q225-M276 WeakPolarHBondContact O-CA 3.49Å; Q225-V277 PolarHBondContact O-N 3.28Å
226E93.8Very high87.6Confident69 Ų6981 Ų8132%0.32241%0.409SS..EExtended strand (participates in β ladder)trans-108.9134.5175.8-61.3-169.1-170.800111.3G198 I236 V277G198-E226 WeakPolarHBondContact CA-OE1 3.42Å; E226-I236 HydrophobicContact CB-CD1 4.02Å; E226-I236 HydrophobicContact CB-CG1 4.48Å; E226-I236 PolarHBondContact OE2-N 2.84Å; E226-V277 CarbonylContact C-O 3.56Å; E226-V277 WeakPolarHBondContact CA-O 3.48Å; E226-V277 HydrophobicContact CG-CB 4.29Å
227M89.8Confident87.7Confident88 Ų8881.4 Ų81.443%0.43342%0.42SS..EExtended strand (participates in β ladder)trans-124.493.1177.1-67.9-164.6169.800109.6Q225 M276 V277 S278 L279Q225-M227 VanDerWaalsContact NE2-CE 3.31Å; M227-M276 HydrophobicContact CE-CE 4.21Å; M227-M276 HydrophobicContact SD-SD 4.41Å; M227-V277 PolarHBondContact N-O 3.31Å; M227-S278 WeakPolarHBondContact O-CA 3.41Å; M227-L279 PolarHBondContact O-N 3.06Å
228N86.3Confident87.9Confident19 Ų1974.2 Ų74.210%0.10238%0.382CS..EExtended strand (participates in β ladder)trans-96.4106.6177.9-171.2-20.9000110.3K230 T231 H234 I236N228-K230 VanDerWaalsContact C-N 3.29Å; N228-K230 PolarHBondContact O-N 3.14Å; N228-K230 PolarHBondContact OD1-N 3.3Å; N228-T231 WeakPolarHBondContact CB-O 3.48Å; N228-T231 VanDerWaalsContact CG-O 3.29Å; N228-T231 PolarHBondContact ND2-O 3.03Å; N228-T231 PolarHBondContact ND2-OG1 2.86Å; N228-T231 PolarHBondContact OD1-N 3.46Å; N228-H234 PolarHBondContact ND2-O 2.88Å; N228-I236 HydrophobicContact CB-CD1 4.33Å; N228-I236 HydrophobicContact CB-CG1 3.85Å
229H79.3Confident88Confident171 Ų17172.5 Ų72.579%0.79238%0.379SS*.SBendtrans-70.6-26.3-179.9-166.6-76.3000112.4L279H229-L279 WeakPolarHBondContact CB-O 3.47Å; H229-L279 PolarHBondContact N-O 3.21Å
230K72.7Confident88.1Confident116 Ų11671.6 Ų71.650%0.50437%0.373SS..SBendtrans-79.7-41.6-179.5-66.4-178.3-179.4172.70111.6N228 G280N228-K230 VanDerWaalsContact C-N 3.29Å; N228-K230 PolarHBondContact O-N 3.14Å; N228-K230 PolarHBondContact OD1-N 3.3Å; K230-G280 WeakPolarHBondContact CE-O 3.39Å
231T74.3Confident88.1Confident62 Ų6271.6 Ų71.638%0.3837%0.373SS..  trans-144.3100.7-176.648.10000111.5N228 S233 H234N228-T231 WeakPolarHBondContact CB-O 3.48Å; N228-T231 VanDerWaalsContact CG-O 3.29Å; N228-T231 PolarHBondContact ND2-O 3.03Å; N228-T231 PolarHBondContact ND2-OG1 2.86Å; N228-T231 PolarHBondContact OD1-N 3.46Å; T231-S233 PolarHBondContact O-N 2.88Å; T231-H234 PolarHBondContact O-N 3.05Å
232K69.5Low88Confident212 Ų21268 Ų6892%0.92236%0.355SS*.THydrogen-bonded Turntrans-59.2-15.2-173.1-67.9-173.8179-178.80116.4
233S68.5Low87.9Confident106 Ų10669.7 Ų69.774%0.74137%0.37SS*.THydrogen-bonded Turntrans-119.84.9-17696.20000114.9T231T231-S233 PolarHBondContact O-N 2.88Å
234H75.5Confident87.9Confident117 Ų11766.9 Ų66.954%0.54235%0.352SS..SBendtrans-111.3140.9-178.6-69.969.2000110.5N228 T231N228-H234 PolarHBondContact ND2-O 2.88Å; T231-H234 PolarHBondContact O-N 3.05Å
235P85.8Confident88Confident74 Ų7464.2 Ų64.248%0.48134%0.338SS..  trans-52147.7172.9-24.233.1000111.8S237P235-S237 PolarHBondContact O-N 2.81Å
236I91.2Very high88.1Confident0 Ų063.3 Ų63.30%033%0.331CS..  trans-75.3111.6176.6-66.4171.9000109.3V197 E226 N228 V277 L279 M284V197-I236 HydrophobicContact CB-CG2 4.4Å; V197-I236 HydrophobicContact CG2-CG2 4.06Å; V197-I236 PolarHBondContact N-O 2.92Å; E226-I236 HydrophobicContact CB-CD1 4.02Å; E226-I236 HydrophobicContact CB-CG1 4.48Å; E226-I236 PolarHBondContact OE2-N 2.84Å; N228-I236 HydrophobicContact CB-CD1 4.33Å; N228-I236 HydrophobicContact CB-CG1 3.85Å; I236-V277 HydrophobicContact CB-CG1 4.24Å; I236-V277 HydrophobicContact CD1-CB 4.06Å; I236-V277 HydrophobicContact CD1-CG1 3.6Å; I236-V277 WeakPolarHBondContact CD1-O 3.44Å; I236-V277 HydrophobicContact CG2-CG1 4.06Å; I236-L279 HydrophobicContact CD1-CB 4.1Å; I236-L279 HydrophobicContact CG1-CB 4.14Å; I236-L279 HydrophobicContact CG2-CB 3.87Å; I236-L279 HydrophobicContact CG2-CD2 4.21Å; I236-L279 HydrophobicContact CG2-CG 4.45Å; I236-M284 HydrophobicContact CG2-CG 4.48Å
237S92.3Very high88.2Confident64 Ų6462.4 Ų62.445%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-114.6141.4171.462.50000111.8C195 P235C195-S237 VanDerWaalsContact O-CA 3.29Å; C195-S237 WeakPolarHBondContact O-CA 3.41Å; P235-S237 PolarHBondContact O-N 2.81Å
238I94.1Very high88.7Confident8 Ų858.2 Ų58.24%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-136.8163.8174.361.9155.9000110.7C195 V197 Y240 L279 M284 L361C195-I238 WeakPolarHBondContact CA-O 3.24Å; C195-I238 WeakPolarHBondContact CB-O 3.34Å; C195-I238 PolarHBondContact N-O 3.17Å; C195-I238 PolarHBondContact O-N 3.21Å; C195-I238 VanDerWaalsContact O-N 3.08Å; V197-I238 HydrophobicContact CG2-CG1 4.02Å; I238-Y240 HydrophobicContact CD1-CD2 3.96Å; I238-Y240 HydrophobicContact CD1-CG 3.94Å; I238-Y240 PolarHBondContact O-N 3.15Å; I238-L279 HydrophobicContact CG2-CD1 4.01Å; I238-M284 HydrophobicContact CD1-CE 3.27Å; I238-M284 HydrophobicContact CG1-CE 3.97Å; I238-M284 HydrophobicContact CG2-CB 4.44Å; I238-M284 HydrophobicContact CG2-CG 4.22Å; I238-L361 HydrophobicContact CD1-CD1 4.29Å
239V95.6Very high89.2Confident32 Ų3257.3 Ų57.319%0.19430%0.302CS..EExtended strand (participates in β ladder)trans-79.2113.8166.8173.60000108.4M33 I37 I191 P193M33-V239 HydrophobicContact CB-CG1 4.43Å; M33-V239 HydrophobicContact SD-CG1 4.27Å; M33-V239 VanDerWaalsContact SD-O 3.38Å; I37-V239 HydrophobicContact CD1-CB 4.42Å; I37-V239 HydrophobicContact CD1-CG1 3.21Å; I37-V239 HydrophobicContact CD1-CG2 4.38Å; I191-V239 HydrophobicContact CG2-CG1 4.01Å; P193-V239 WeakPolarHBondContact O-CG2 3.41Å
240Y97.3Very high90.1Very high0 Ų050.2 Ų50.20%027%0.269CS..EExtended strand (participates in β ladder)trans-156.9174.4180-147.9-109.1000113.5M33 D192 I238 P242 H244 L245 M248 F341 L361M33-Y240 HydrophobicContact CE-CD2 3.29Å; M33-Y240 HydrophobicContact CE-CE2 3.4Å; M33-Y240 HydrophobicContact CE-CG 4Å; M33-Y240 HydrophobicContact SD-CD2 4Å; M33-Y240 HydrophobicContact SD-CE2 4.5Å; D192-Y240 PolarHBondContact N-O 3.34Å; D192-Y240 PolarHBondContact O-N 3.28Å; D192-Y240 VanDerWaalsContact O-N 3.1Å; I238-Y240 HydrophobicContact CD1-CD2 3.96Å; I238-Y240 HydrophobicContact CD1-CG 3.94Å; I238-Y240 PolarHBondContact O-N 3.15Å; Y240-P242 WeakPolarHBondContact O-CD 3.4Å; Y240-H244 HydrophobicContact CE1-CB 4.1Å; Y240-L245 HydrophobicContact CD1-CB 3.93Å; Y240-L245 HydrophobicContact CE1-CB 4.07Å; Y240-M248 HydrophobicContact CE1-CE 4.41Å; Y240-F341 HydrophobicContact CE2-CB 4.47Å; Y240-F341 HydrophobicContact CE2-CD2 4.42Å; Y240-L361 HydrophobicContact CD1-CD1 4.35Å; Y240-L361 HydrophobicContact CD2-CD1 4.27Å; Y240-L361 HydrophobicContact CE1-CD1 4Å; Y240-L361 HydrophobicContact CE1-CD2 4.44Å; Y240-L361 HydrophobicContact CE2-CD1 3.94Å; Y240-L361 HydrophobicContact CE2-CD2 3.81Å; Y240-L361 HydrophobicContact CE2-CG 4.33Å; Y240-L361 HydrophobicContact CG-CD1 4.5Å; Y240-L361 WeakPolarHBondContact OH-CD2 3.27Å
241V97.1Very high91.3Very high0 Ų046 Ų460%025%0.25CS..  trans-94105.2170.2177.50000108.2M33 M167 S190 I191 S243 H244 L245 F341M33-V241 HydrophobicContact CE-CG2 4.48Å; M167-V241 HydrophobicContact CE-CG2 3.83Å; M167-V241 HydrophobicContact SD-CG2 4.08Å; S190-V241 WeakPolarHBondContact O-CG1 3.49Å; I191-V241 HydrophobicContact CG1-CG2 3.68Å; V241-S243 VanDerWaalsContact C-N 3.26Å; V241-S243 WeakPolarHBondContact CG1-OG 3.41Å; V241-S243 PolarHBondContact O-N 2.95Å; V241-H244 HydrophobicContact CB-CB 4.17Å; V241-H244 HydrophobicContact CG1-CB 4.2Å; V241-H244 VanDerWaalsContact CG1-CD2 3.48Å; V241-H244 WeakPolarHBondContact CG1-CD2 3.42Å; V241-H244 WeakPolarHBondContact O-CB 3.43Å; V241-H244 PolarHBondContact O-N 3.03Å; V241-L245 PolarHBondContact O-N 3.3Å; V241-F341 HydrophobicContact CG2-CE2 4.36Å
242P96.4Very high92.4Very high31 Ų3143.4 Ų43.420%0.20123%0.234CC..Hα-helixtrans-58.2-38.3-172.3-25.734.4000113D192 V200 Y240 H244 L245 Y246D192-P242 HydrophobicContact CB-CG 3.56Å; V200-P242 HydrophobicContact CG2-CB 4.29Å; Y240-P242 WeakPolarHBondContact O-CD 3.4Å; P242-H244 VanDerWaalsContact C-N 3.31Å; P242-H244 PolarHBondContact O-N 3.38Å; P242-L245 PolarHBondContact O-N 3.41Å; P242-Y246 VanDerWaalsContact O-CB 3.3Å; P242-Y246 WeakPolarHBondContact O-CB 3.43Å; P242-Y246 PolarHBondContact O-N 3.08Å
243S96Very high93.8Very high70 Ų7033.3 Ų33.349%0.4919%0.19SC..Hα-helixtrans-63.9-31.3178.660.50000114V241 H247V241-S243 VanDerWaalsContact C-N 3.26Å; V241-S243 WeakPolarHBondContact CG1-OG 3.41Å; V241-S243 PolarHBondContact O-N 2.95Å; S243-H247 WeakPolarHBondContact O-CB 3.42Å; S243-H247 PolarHBondContact O-N 2.8Å; S243-H247 VanDerWaalsContact O-N 3.08Å
244H98.1Very high95Very high14 Ų1428.8 Ų28.87%0.06516%0.157CC..Hα-helixtrans-70.4-45.1174.9-69.5-169.4000110.4Y240 V241 P242 H247 M248 Y337Y240-H244 HydrophobicContact CE1-CB 4.1Å; V241-H244 HydrophobicContact CB-CB 4.17Å; V241-H244 HydrophobicContact CG1-CB 4.2Å; V241-H244 VanDerWaalsContact CG1-CD2 3.48Å; V241-H244 WeakPolarHBondContact CG1-CD2 3.42Å; V241-H244 WeakPolarHBondContact O-CB 3.43Å; V241-H244 PolarHBondContact O-N 3.03Å; P242-H244 VanDerWaalsContact C-N 3.31Å; P242-H244 PolarHBondContact O-N 3.38Å; H244-H247 PolarHBondContact O-N 3.26Å; H244-M248 WeakPolarHBondContact O-CG 3.33Å; H244-M248 PolarHBondContact O-N 2.75Å; H244-Y337 HydrophobicContact CB-CD1 3.93Å; H244-Y337 HydrophobicContact CB-CE1 4.49Å; H244-Y337 AromaticContact CD2-CD1 3.85Å; H244-Y337 AromaticContact CD2-CE1 3.61Å; H244-Y337 AromaticContact CG-CD1 3.61Å; H244-Y337 AromaticContact CG-CE1 3.88Å; H244-Y337 AromaticContact ND1-CD1 3.81Å; H244-Y337 AromaticContact NE2-CE1 3.81Å
245L98.3Very high96Very high0 Ų026.4 Ų26.40%015%0.149CC..Hα-helixtrans-63.5-46.4177.7178.658000111.5V197 V200 Y240 V241 P242 H247 M248 L249 I286 L361V197-L245 HydrophobicContact CG1-CD2 4.3Å; V200-L245 HydrophobicContact CB-CD2 4.09Å; V200-L245 HydrophobicContact CB-CG 4.43Å; V200-L245 HydrophobicContact CG1-CB 4.09Å; V200-L245 HydrophobicContact CG1-CD2 3.95Å; V200-L245 HydrophobicContact CG1-CG 3.77Å; V200-L245 HydrophobicContact CG2-CD2 4.44Å; Y240-L245 HydrophobicContact CD1-CB 3.93Å; Y240-L245 HydrophobicContact CE1-CB 4.07Å; V241-L245 PolarHBondContact O-N 3.3Å; P242-L245 PolarHBondContact O-N 3.41Å; L245-H247 VanDerWaalsContact C-N 3.33Å; L245-H247 PolarHBondContact O-N 3.23Å; L245-M248 HydrophobicContact CD1-CE 3.98Å; L245-M248 PolarHBondContact O-N 3.18Å; L245-L249 HydrophobicContact CD1-CD1 3.71Å; L245-L249 HydrophobicContact CD1-CG 4.11Å; L245-L249 HydrophobicContact CG-CD1 3.75Å; L245-L249 WeakPolarHBondContact O-CG 3.37Å; L245-L249 PolarHBondContact O-N 2.88Å; L245-I286 HydrophobicContact CD1-CD1 3.6Å; L245-I286 HydrophobicContact CD2-CD1 4.5Å; L245-L361 HydrophobicContact CD1-CD1 4.2Å
246Y98.3Very high96.5Very high76 Ų7623 Ų2330%0.29813%0.127SC..Hα-helixtrans-53.6-48.8174.2176-87.4000111.4D203 A204 S207 P242 M248 L249 F250D203-Y246 HydrophobicContact CB-CD2 4.34Å; D203-Y246 HydrophobicContact CB-CE2 4.28Å; A204-Y246 VanDerWaalsContact CA-CE2 3.48Å; A204-Y246 HydrophobicContact CB-CD2 3.83Å; A204-Y246 HydrophobicContact CB-CE2 4.01Å; A204-Y246 HydrophobicContact CB-CG 4.48Å; S207-Y246 WeakPolarHBondContact CB-OH 3.36Å; S207-Y246 PolarHBondContact OG-OH 2.89Å; P242-Y246 VanDerWaalsContact O-CB 3.3Å; P242-Y246 WeakPolarHBondContact O-CB 3.43Å; P242-Y246 PolarHBondContact O-N 3.08Å; Y246-M248 PolarHBondContact O-N 2.96Å; Y246-L249 PolarHBondContact O-N 2.92Å; Y246-F250 HydrophobicContact CD1-CB 4.46Å; Y246-F250 HydrophobicContact CE1-CB 4.15Å; Y246-F250 HydrophobicContact CE1-CG 4.32Å; Y246-F250 WeakPolarHBondContact O-CB 3.46Å; Y246-F250 PolarHBondContact O-N 3.31Å
247H97Very high96.8Very high51 Ų5123 Ų2324%0.23613%0.127CC..Hα-helixtrans-59.4-46-179.4-178.878000112.2S243 H244 L245 E251 Y337S243-H247 WeakPolarHBondContact O-CB 3.42Å; S243-H247 PolarHBondContact O-N 2.8Å; S243-H247 VanDerWaalsContact O-N 3.08Å; H244-H247 PolarHBondContact O-N 3.26Å; L245-H247 VanDerWaalsContact C-N 3.33Å; L245-H247 PolarHBondContact O-N 3.23Å; H247-E251 WeakPolarHBondContact O-CG 3.31Å; H247-E251 PolarHBondContact O-N 3.04Å; H247-E251 VanDerWaalsContact O-N 3.11Å; H247-Y337 AromaticContact CD2-CD2 3.34Å; H247-Y337 WeakPolarHBondContact CD2-CD2 3.25Å; H247-Y337 AromaticContact CD2-CE2 3.22Å; H247-Y337 WeakPolarHBondContact CD2-CE2 3.35Å; H247-Y337 AromaticContact CG-CE2 3.89Å; H247-Y337 AromaticContact NE2-CD2 3.99Å; H247-Y337 AromaticContact NE2-CE2 3.6Å
248M98.6Very high96.9Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-61.1-49.2178.1-64.6-174.8-68.800111.6Y240 H244 L245 Y246 E251 L252 S334 A338 I359 L361Y240-M248 HydrophobicContact CE1-CE 4.41Å; H244-M248 WeakPolarHBondContact O-CG 3.33Å; H244-M248 PolarHBondContact O-N 2.75Å; L245-M248 HydrophobicContact CD1-CE 3.98Å; L245-M248 PolarHBondContact O-N 3.18Å; Y246-M248 PolarHBondContact O-N 2.96Å; M248-E251 PolarHBondContact O-N 3.44Å; M248-L252 WeakPolarHBondContact O-CG 3.38Å; M248-L252 PolarHBondContact O-N 3.1Å; M248-S334 WeakPolarHBondContact CG-O 3.46Å; M248-S334 VanDerWaalsContact SD-O 3.37Å; M248-A338 HydrophobicContact SD-CB 3.65Å; M248-A338 PolarHBondContact SD-N 2.8Å; M248-I359 HydrophobicContact CB-CD1 3.73Å; M248-I359 HydrophobicContact CE-CD1 4.45Å; M248-I359 HydrophobicContact CE-CG2 3.97Å; M248-I359 HydrophobicContact SD-CD1 4.43Å; M248-I359 HydrophobicContact SD-CG2 4.13Å; M248-L361 HydrophobicContact CE-CD2 4.36Å
249L98.6Very high97Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-65.6-41.9-178.4-70.4166.7000111.8V200 V201 A204 L245 Y246 E251 L252 F253 I286 V288 I359V200-L249 HydrophobicContact CG1-CD1 4.24Å; V201-L249 HydrophobicContact CB-CD1 4.4Å; V201-L249 HydrophobicContact CG2-CD1 3.63Å; V201-L249 HydrophobicContact CG2-CD2 4.29Å; A204-L249 HydrophobicContact CB-CB 3.68Å; L245-L249 HydrophobicContact CD1-CD1 3.71Å; L245-L249 HydrophobicContact CD1-CG 4.11Å; L245-L249 HydrophobicContact CG-CD1 3.75Å; L245-L249 WeakPolarHBondContact O-CG 3.37Å; L245-L249 PolarHBondContact O-N 2.88Å; Y246-L249 PolarHBondContact O-N 2.92Å; L249-E251 PolarHBondContact O-N 2.84Å; L249-L252 PolarHBondContact O-N 3.22Å; L249-F253 HydrophobicContact CB-CD2 4.27Å; L249-F253 HydrophobicContact CB-CE2 4.01Å; L249-F253 WeakPolarHBondContact O-CB 3.46Å; L249-F253 WeakPolarHBondContact O-CD2 3.45Å; L249-F253 WeakPolarHBondContact O-CG 3.45Å; L249-F253 PolarHBondContact O-N 3.34Å; L249-I286 HydrophobicContact CD2-CG2 3.95Å; L249-V288 HydrophobicContact CD2-CG2 4.19Å; L249-I359 HydrophobicContact CD2-CD1 3.95Å; L249-I359 HydrophobicContact CG-CD1 4.25Å
250F97.6Very high97.1Very high22 Ų2221.5 Ų21.510%0.09611%0.113CC..Hα-helixtrans-59.7-45.6178174.8-103.2000111.7A204 A208 L211 Y246 F253 K254A204-F250 HydrophobicContact CB-CB 4.26Å; A208-F250 HydrophobicContact CB-CD2 4.05Å; A208-F250 HydrophobicContact CB-CE2 4.2Å; L211-F250 HydrophobicContact CD1-CE2 3.75Å; L211-F250 HydrophobicContact CD1-CZ 3.4Å; Y246-F250 HydrophobicContact CD1-CB 4.46Å; Y246-F250 HydrophobicContact CE1-CB 4.15Å; Y246-F250 HydrophobicContact CE1-CG 4.32Å; Y246-F250 WeakPolarHBondContact O-CB 3.46Å; Y246-F250 PolarHBondContact O-N 3.31Å; F250-F253 PolarHBondContact O-N 3.2Å; F250-K254 HydrophobicContact CD1-CD 4.4Å; F250-K254 HydrophobicContact CE1-CD 3.77Å; F250-K254 HydrophobicContact CE1-CG 4.44Å; F250-K254 HydrophobicContact CE2-CD 4.45Å; F250-K254 HydrophobicContact CE2-CG 4.45Å; F250-K254 HydrophobicContact CZ-CD 3.81Å; F250-K254 HydrophobicContact CZ-CG 4.29Å; F250-K254 WeakPolarHBondContact O-CG 3.34Å; F250-K254 PolarHBondContact O-N 3.33Å
251E96.6Very high96.9Very high26 Ų2621.9 Ų21.912%0.12112%0.115CC..Hα-helixtrans-65.3-39.7175.5-69.1-58.6133.700112.2H247 M248 L249 K254 N255 G330 S334H247-E251 WeakPolarHBondContact O-CG 3.31Å; H247-E251 PolarHBondContact O-N 3.04Å; H247-E251 VanDerWaalsContact O-N 3.11Å; M248-E251 PolarHBondContact O-N 3.44Å; L249-E251 PolarHBondContact O-N 2.84Å; E251-K254 WeakPolarHBondContact OE1-CE 3.28Å; E251-K254 IonicContact OE1-NZ 3.66Å; E251-K254 PolarHBondContact OE1-NZ 2.85Å; E251-K254 VanDerWaalsContact OE2-CE 3.22Å; E251-K254 WeakPolarHBondContact OE2-CE 3.22Å; E251-K254 IonicContact OE2-NZ 2.82Å; E251-K254 PolarHBondContact OE2-NZ 3.33Å; E251-N255 PolarHBondContact O-N 3.01Å; E251-N255 PolarHBondContact O-ND2 3.44Å; E251-G330 WeakPolarHBondContact OE2-CA 3.49Å; E251-S334 WeakPolarHBondContact CB-OG 3.13Å
252L97.9Very high96.7Very high8 Ų825.6 Ų25.64%0.04213%0.133CC..Hα-helixtrans-63.9-43.3175-69-177.1000111.9M248 L249 N255 A256 V288 L331 L345 A357 I359M248-L252 WeakPolarHBondContact O-CG 3.38Å; M248-L252 PolarHBondContact O-N 3.1Å; L249-L252 PolarHBondContact O-N 3.22Å; L252-N255 PolarHBondContact O-N 3.37Å; L252-A256 WeakPolarHBondContact O-CB 3.38Å; L252-A256 PolarHBondContact O-N 3.04Å; L252-V288 HydrophobicContact CD1-CG2 4.13Å; L252-L331 HydrophobicContact CD2-CD1 3.68Å; L252-L345 HydrophobicContact CD1-CD1 4.35Å; L252-L345 HydrophobicContact CD2-CD1 4.31Å; L252-A357 HydrophobicContact CD1-CB 3.9Å; L252-A357 HydrophobicContact CD2-CB 3.68Å; L252-A357 HydrophobicContact CG-CB 4.36Å; L252-I359 HydrophobicContact CD1-CD1 3.82Å; L252-I359 HydrophobicContact CD1-CG1 3.94Å
253F98.4Very high96.7Very high0 Ų027.7 Ų27.70%015%0.145CC..Hα-helixtrans-64.4-43.7178.4-73.5-51000112.6V201 A204 F205 A208 L222 L249 F250 N255 A256 M257 I273 V275 V288V201-F253 HydrophobicContact CG1-CE2 4.46Å; V201-F253 HydrophobicContact CG1-CZ 4.03Å; V201-F253 WeakPolarHBondContact O-CE2 3.3Å; A204-F253 HydrophobicContact CB-CD2 4.03Å; A204-F253 HydrophobicContact CB-CE2 4.05Å; F205-F253 HydrophobicContact CB-CD2 4.01Å; F205-F253 HydrophobicContact CB-CE1 4.38Å; F205-F253 HydrophobicContact CB-CE2 3.75Å; F205-F253 HydrophobicContact CB-CG 4.44Å; F205-F253 HydrophobicContact CB-CZ 3.94Å; F205-F253 AromaticContact CD2-CD1 3.75Å; F205-F253 HydrophobicContact CD2-CD1 3.75Å; F205-F253 AromaticContact CD2-CE1 3.77Å; F205-F253 HydrophobicContact CD2-CE1 3.77Å; F205-F253 HydrophobicContact CD2-CG 4.18Å; F205-F253 HydrophobicContact CD2-CZ 4.19Å; A208-F253 HydrophobicContact CB-CB 3.61Å; L222-F253 HydrophobicContact CD1-CE1 4.27Å; L222-F253 HydrophobicContact CD1-CZ 4.41Å; L249-F253 HydrophobicContact CB-CD2 4.27Å; L249-F253 HydrophobicContact CB-CE2 4.01Å; L249-F253 WeakPolarHBondContact O-CB 3.46Å; L249-F253 WeakPolarHBondContact O-CD2 3.45Å; L249-F253 WeakPolarHBondContact O-CG 3.45Å; L249-F253 PolarHBondContact O-N 3.34Å; F250-F253 PolarHBondContact O-N 3.2Å; F253-N255 VanDerWaalsContact C-N 3.3Å; F253-N255 PolarHBondContact O-N 3.37Å; F253-A256 PolarHBondContact O-N 3.38Å; F253-M257 HydrophobicContact CB-CE 4.46Å; F253-M257 VanDerWaalsContact O-CB 3.26Å; F253-M257 WeakPolarHBondContact O-CB 3.29Å; F253-M257 WeakPolarHBondContact O-CG 3.17Å; F253-M257 PolarHBondContact O-N 3.15Å; F253-I273 HydrophobicContact CD1-CD1 4.48Å; F253-I273 HydrophobicContact CD1-CG2 4.13Å; F253-I273 HydrophobicContact CE1-CG2 3.99Å; F253-V275 HydrophobicContact CE1-CG2 3.69Å; F253-V275 HydrophobicContact CZ-CG2 3.78Å; F253-V288 HydrophobicContact CD1-CG1 4.18Å; F253-V288 HydrophobicContact CE1-CG1 3.99Å
254K95.6Very high96.6Very high11 Ų1125.6 Ų25.65%0.04813%0.128CC..Hα-helixtrans-55.8-46.1174.4-74.1-170.1-58.3171.60111.8A208 F250 E251 R258 L324A208-K254 HydrophobicContact CB-CG 4.23Å; F250-K254 HydrophobicContact CD1-CD 4.4Å; F250-K254 HydrophobicContact CE1-CD 3.77Å; F250-K254 HydrophobicContact CE1-CG 4.44Å; F250-K254 HydrophobicContact CE2-CD 4.45Å; F250-K254 HydrophobicContact CE2-CG 4.45Å; F250-K254 HydrophobicContact CZ-CD 3.81Å; F250-K254 HydrophobicContact CZ-CG 4.29Å; F250-K254 WeakPolarHBondContact O-CG 3.34Å; F250-K254 PolarHBondContact O-N 3.33Å; E251-K254 WeakPolarHBondContact OE1-CE 3.28Å; E251-K254 IonicContact OE1-NZ 3.66Å; E251-K254 PolarHBondContact OE1-NZ 2.85Å; E251-K254 VanDerWaalsContact OE2-CE 3.22Å; E251-K254 WeakPolarHBondContact OE2-CE 3.22Å; E251-K254 IonicContact OE2-NZ 2.82Å; E251-K254 PolarHBondContact OE2-NZ 3.33Å; K254-R258 VanDerWaalsContact O-CB 3.27Å; K254-R258 WeakPolarHBondContact O-CB 3.34Å; K254-R258 PolarHBondContact O-N 2.99Å; K254-L324 HydrophobicContact CB-CD1 4.2Å; K254-L324 HydrophobicContact CD-CD1 4.15Å; K254-L324 HydrophobicContact CG-CD1 3.89Å
255N95.3Very high96Very high67 Ų6731.3 Ų31.336%0.35815%0.154SC..Hα-helixtrans-64.8-47.2179.5-73.9-54.3000111.8E251 L252 F253 R258 A259E251-N255 PolarHBondContact O-N 3.01Å; E251-N255 PolarHBondContact O-ND2 3.44Å; L252-N255 PolarHBondContact O-N 3.37Å; F253-N255 VanDerWaalsContact C-N 3.3Å; F253-N255 PolarHBondContact O-N 3.37Å; N255-R258 PolarHBondContact O-N 2.82Å; N255-A259 WeakPolarHBondContact O-CB 3.49Å; N255-A259 PolarHBondContact O-N 3.47Å
256A97.4Very high95.5Very high3 Ų339 Ų393%0.02520%0.196CC..Hα-helixtrans-62.6-42.8178.400000112.6L252 F253 T260 I273 D290L252-A256 WeakPolarHBondContact O-CB 3.38Å; L252-A256 PolarHBondContact O-N 3.04Å; F253-A256 PolarHBondContact O-N 3.38Å; A256-T260 VanDerWaalsContact O-CB 3.24Å; A256-T260 WeakPolarHBondContact O-CB 3.21Å; A256-T260 PolarHBondContact O-N 3.19Å; A256-T260 PolarHBondContact O-OG1 2.85Å; A256-I273 HydrophobicContact CB-CD1 3.72Å; A256-I273 HydrophobicContact CB-CG1 4.27Å; A256-D290 HydrophobicContact CB-CB 3.86Å
257M97Very high94.9Very high0 Ų043.3 Ų43.30%021%0.211CC..Hα-helixtrans-63.9-49.8177.4-73.2177.9177.900111.1F205 A208 K209 C212 P220 F253 A259 T260 I261 I273F205-M257 HydrophobicContact CD2-CE 3.52Å; F205-M257 HydrophobicContact CE1-CE 4.39Å; F205-M257 HydrophobicContact CE2-CE 3.26Å; F205-M257 HydrophobicContact CG-CE 4.2Å; F205-M257 HydrophobicContact CZ-CE 3.74Å; A208-M257 VanDerWaalsContact C-SD 3.56Å; A208-M257 HydrophobicContact CB-CE 4.06Å; A208-M257 HydrophobicContact CB-SD 3.84Å; K209-M257 HydrophobicContact CB-CE 3.89Å; C212-M257 HydrophobicContact CB-CB 4.44Å; C212-M257 HydrophobicContact CB-SD 3.77Å; P220-M257 HydrophobicContact CG-CB 4.36Å; P220-M257 HydrophobicContact CG-CG 3.79Å; F253-M257 HydrophobicContact CB-CE 4.46Å; F253-M257 VanDerWaalsContact O-CB 3.26Å; F253-M257 WeakPolarHBondContact O-CB 3.29Å; F253-M257 WeakPolarHBondContact O-CG 3.17Å; F253-M257 PolarHBondContact O-N 3.15Å; M257-A259 PolarHBondContact O-N 2.89Å; M257-T260 PolarHBondContact O-N 2.92Å; M257-I261 WeakPolarHBondContact O-CG1 3.5Å; M257-I261 PolarHBondContact O-N 3.32Å; M257-I273 HydrophobicContact CB-CD1 4.42Å; M257-I273 HydrophobicContact CE-CD1 4.45Å; M257-I273 HydrophobicContact CG-CD1 3.52Å
258R94.5Very high94.2Very high43 Ų4348 Ų4816%0.16224%0.238CC..Hα-helixtrans-56.1-52.8176.8177.2174.3176.9-149.5-7.3111.4K254 N255 T260 I261 E262 L324K254-R258 VanDerWaalsContact O-CB 3.27Å; K254-R258 WeakPolarHBondContact O-CB 3.34Å; K254-R258 PolarHBondContact O-N 2.99Å; N255-R258 PolarHBondContact O-N 2.82Å; R258-T260 VanDerWaalsContact C-N 3.31Å; R258-T260 PolarHBondContact O-N 2.91Å; R258-I261 PolarHBondContact O-N 3.24Å; R258-E262 HydrophobicContact CG-CG 4.29Å; R258-E262 WeakPolarHBondContact CG-OE1 3.45Å; R258-E262 IonicContact CZ-OE1 3.55Å; R258-E262 IonicContact NE-OE1 3.72Å; R258-E262 PolarHBondContact NE-OE1 3.26Å; R258-E262 IonicContact NE-OE2 3.58Å; R258-E262 IonicContact NH2-OE1 3.43Å; R258-E262 PolarHBondContact NH2-OE1 3.21Å; R258-E262 IonicContact NH2-OE2 3.88Å; R258-E262 WeakPolarHBondContact O-CB 3.48Å; R258-E262 WeakPolarHBondContact O-CG 3.31Å; R258-E262 PolarHBondContact O-N 3.24Å; R258-L324 HydrophobicContact CB-CD2 4.21Å
259A95.3Very high93.8Very high28 Ų2854.8 Ų54.823%0.23127%0.274CS..Hα-helixtrans-60.9-40.3-179.500000112.2N255 M257 T263 G292N255-A259 WeakPolarHBondContact O-CB 3.49Å; N255-A259 PolarHBondContact O-N 3.47Å; M257-A259 PolarHBondContact O-N 2.89Å; A259-T263 VanDerWaalsContact O-CB 3.25Å; A259-T263 WeakPolarHBondContact O-CB 3.22Å; A259-T263 PolarHBondContact O-N 2.82Å; A259-T263 VanDerWaalsContact O-N 3.08Å; A259-T263 PolarHBondContact O-OG1 3.1Å; A259-G292 WeakPolarHBondContact O-CA 3.44Å
260T96.9Very high93.6Very high1 Ų156.1 Ų56.11%0.00628%0.281CS..Hα-helixtrans-63.5-44.4178.1-62.90000111.7P220 A256 M257 R258 H264 L270 P271P220-T260 HydrophobicContact CB-CG2 4.3Å; A256-T260 VanDerWaalsContact O-CB 3.24Å; A256-T260 WeakPolarHBondContact O-CB 3.21Å; A256-T260 PolarHBondContact O-N 3.19Å; A256-T260 PolarHBondContact O-OG1 2.85Å; M257-T260 PolarHBondContact O-N 2.92Å; R258-T260 VanDerWaalsContact C-N 3.31Å; R258-T260 PolarHBondContact O-N 2.91Å; T260-H264 VanDerWaalsContact O-CB 3.31Å; T260-H264 WeakPolarHBondContact O-CB 3.15Å; T260-H264 PolarHBondContact O-N 2.63Å; T260-H264 PolarHBondContact O-ND1 2.78Å; T260-L270 HydrophobicContact CG2-CB 4.4Å; T260-P271 HydrophobicContact CG2-CG 3.77Å
261I94.6Very high93.6Very high8 Ų855.9 Ų55.94%0.04128%0.282CS..Hα-helixtrans-69.5-51.3-179.8-69.4171.4000111.5C212 Y216 R218 M257 R258 T263 H264 E265 L270C212-I261 WeakPolarHBondContact SG-CD1 3.36Å; Y216-I261 HydrophobicContact CD1-CG2 3.81Å; Y216-I261 HydrophobicContact CD2-CD1 3.64Å; Y216-I261 HydrophobicContact CD2-CG2 4.26Å; Y216-I261 HydrophobicContact CE1-CG2 4.22Å; Y216-I261 HydrophobicContact CE2-CD1 4.35Å; Y216-I261 HydrophobicContact CG-CD1 3.94Å; Y216-I261 HydrophobicContact CG-CG2 3.85Å; R218-I261 HydrophobicContact CG-CD1 4.45Å; R218-I261 VanDerWaalsContact O-CD1 3.29Å; R218-I261 WeakPolarHBondContact O-CD1 3.48Å; M257-I261 WeakPolarHBondContact O-CG1 3.5Å; M257-I261 PolarHBondContact O-N 3.32Å; R258-I261 PolarHBondContact O-N 3.24Å; I261-T263 PolarHBondContact O-N 3.06Å; I261-H264 CarbonylContact O-C 3.57Å; I261-H264 PolarHBondContact O-N 3.45Å; I261-E265 PolarHBondContact O-N 3.15Å; I261-L270 HydrophobicContact CG1-CD1 3.91Å
262E93.1Very high93.7Very high79 Ų7956.8 Ų56.837%0.36929%0.29SS..Hα-helixtrans-60.7-32.1-178.7-69.6179.9179.200111.5Y216 R258Y216-E262 PolarHBondContact OH-OE1 3.41Å; R258-E262 HydrophobicContact CG-CG 4.29Å; R258-E262 WeakPolarHBondContact CG-OE1 3.45Å; R258-E262 IonicContact CZ-OE1 3.55Å; R258-E262 IonicContact NE-OE1 3.72Å; R258-E262 PolarHBondContact NE-OE1 3.26Å; R258-E262 IonicContact NE-OE2 3.58Å; R258-E262 IonicContact NH2-OE1 3.43Å; R258-E262 PolarHBondContact NH2-OE1 3.21Å; R258-E262 IonicContact NH2-OE2 3.88Å; R258-E262 WeakPolarHBondContact O-CB 3.48Å; R258-E262 WeakPolarHBondContact O-CG 3.31Å; R258-E262 PolarHBondContact O-N 3.24Å
263T94.8Very high93.7Very high74 Ų7456.4 Ų56.445%0.45429%0.288SS..Hα-helixtrans-76.7-25.2175.7-56.80000113.1A259 I261 G292A259-T263 VanDerWaalsContact O-CB 3.25Å; A259-T263 WeakPolarHBondContact O-CB 3.22Å; A259-T263 PolarHBondContact O-N 2.82Å; A259-T263 VanDerWaalsContact O-N 3.08Å; A259-T263 PolarHBondContact O-OG1 3.1Å; I261-T263 PolarHBondContact O-N 3.06Å; T263-G292 PolarHBondContact OG1-O 3.4Å
264H94.8Very high93.7Very high27 Ų2761.2 Ų61.213%0.12531%0.309CS..THydrogen-bonded Turntrans-115.124-172.1-67.772.2000113.1T260 I261 N266 R267 L270 R291T260-H264 VanDerWaalsContact O-CB 3.31Å; T260-H264 WeakPolarHBondContact O-CB 3.15Å; T260-H264 PolarHBondContact O-N 2.63Å; T260-H264 PolarHBondContact O-ND1 2.78Å; I261-H264 CarbonylContact O-C 3.57Å; I261-H264 PolarHBondContact O-N 3.45Å; H264-N266 PolarHBondContact O-N 2.88Å; H264-R267 HydrophobicContact CB-CB 4.38Å; H264-R267 PolarHBondContact O-N 2.81Å; H264-L270 HydrophobicContact CB-CD2 3.68Å; H264-R291 PolarHBondContact CE1-O 3.02Å
265E86.5Confident93.9Very high134 Ų13460.9 Ų60.963%0.62631%0.307SS*.THydrogen-bonded Turntrans-48.4-41.1-177.2-72.4179.717700112.8I261I261-E265 PolarHBondContact O-N 3.15Å
266N86.3Confident94Very high162 Ų16260.6 Ų60.687%0.86631%0.305SS*.THydrogen-bonded Turntrans-884.2-178.1-63.9-42.2000114.9H264H264-N266 PolarHBondContact O-N 2.88Å
267R86.3Confident94Very high166 Ų16660.5 Ų60.563%0.62630%0.304SS*.  trans-110.3137.7-179.6-61-157.3-175.4-173.8-1.8111.8R218 H264R218-R267 PolarHBondContact NH1-O 3.02Å; R218-R267 PolarHBondContact NH2-O 3.07Å; H264-R267 HydrophobicContact CB-CB 4.38Å; H264-R267 PolarHBondContact O-N 2.81Å
268N81.7Confident93.9Very high150 Ų15062.6 Ų62.680%0.80232%0.318SS*.SBendtrans-72.1-31.9178-69.2-10000113R218R218-N268 VanDerWaalsContact NH2-C 3.29Å; R218-N268 PolarHBondContact NH2-O 3.11Å
269N90.2Very high93.9Very high141 Ų14161.1 Ų61.175%0.75431%0.314SS*.SBendtrans-106.5127.7-179.9-66.1-2.5000110.3
270L95.7Very high93.7Very high29 Ų2961 Ų6115%0.15232%0.315CS..PPolyproline II helixtrans-91.7136.8174.2-62176.4000109.5R218 P220 T260 I261 H264R218-L270 HydrophobicContact CG-CD1 4.24Å; P220-L270 HydrophobicContact CB-CB 4.28Å; T260-L270 HydrophobicContact CG2-CB 4.4Å; I261-L270 HydrophobicContact CG1-CD1 3.91Å; H264-L270 HydrophobicContact CB-CD2 3.68Å
271P97.3Very high93.2Very high16 Ų1663.5 Ų63.510%0.10434%0.341CS..PPolyproline II helixtrans-64140170.126.1-31.2000110.2P220 T260 R291P220-P271 WeakPolarHBondContact CB-O 3.34Å; T260-P271 HydrophobicContact CG2-CG 3.77Å; P271-R291 HydrophobicContact CB-CB 3.92Å; P271-R291 HydrophobicContact CB-CG 4.27Å; P271-R291 HydrophobicContact CG-CB 3.68Å
272P97.9Very high93Very high45 Ų4569.6 Ų69.629%0.29237%0.37SS..PPolyproline II helixtrans-70.6150.4178.530.1-35.3000111.1D221 V223D221-P272 HydrophobicContact CB-CB 4.31Å; D221-P272 CarbonylContact O-C 3.39Å; D221-P272 VanDerWaalsContact O-CA 3.26Å; D221-P272 WeakPolarHBondContact O-CA 3.47Å; D221-P272 WeakPolarHBondContact O-CB 3.36Å; V223-P272 HydrophobicContact CG2-CB 3.9Å; V223-P272 HydrophobicContact CG2-CG 4.07Å
273I98.6Very high92.9Very high0 Ų068.8 Ų68.80%037%0.368CS..EExtended strand (participates in β ladder)trans-78.6125.3167.4-62.4172000107.3F205 P220 D221 V223 F253 A256 M257 V288F205-I273 HydrophobicContact CE2-CD1 4.35Å; P220-I273 HydrophobicContact CB-CG1 4.26Å; P220-I273 HydrophobicContact CG-CD1 3.64Å; P220-I273 HydrophobicContact CG-CG1 3.9Å; D221-I273 PolarHBondContact O-N 2.83Å; V223-I273 PolarHBondContact N-O 2.77Å; F253-I273 HydrophobicContact CD1-CD1 4.48Å; F253-I273 HydrophobicContact CD1-CG2 4.13Å; F253-I273 HydrophobicContact CE1-CG2 3.99Å; A256-I273 HydrophobicContact CB-CD1 3.72Å; A256-I273 HydrophobicContact CB-CG1 4.27Å; M257-I273 HydrophobicContact CB-CD1 4.42Å; M257-I273 HydrophobicContact CE-CD1 4.45Å; M257-I273 HydrophobicContact CG-CD1 3.52Å; I273-V288 HydrophobicContact CG2-CG1 3.71Å
274K98.8Very high92.9Very high102 Ų10265.3 Ų65.344%0.44335%0.346SS..EExtended strand (participates in β ladder)trans-100.6131.8-179.4-60.4-176.3178.8-172.40109.6V223 S289V223-K274 HydrophobicContact CB-CG 4.31Å; V223-K274 CarbonylContact O-C 3.59Å; V223-K274 WeakPolarHBondContact O-CA 3.41Å; K274-S289 PolarHBondContact N-O 2.83Å; K274-S289 PolarHBondContact O-N 2.88Å
275V98.7Very high93Very high3 Ų365.4 Ų65.42%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-119.8128.6175.4-177.90000109.4V201 L222 V223 L224 Q225 F253 V277 I286 K287 V288V201-V275 HydrophobicContact CG1-CB 4.36Å; V201-V275 HydrophobicContact CG1-CG1 3.99Å; V201-V275 HydrophobicContact CG1-CG2 4.36Å; V201-V275 HydrophobicContact CG2-CG1 4.36Å; L222-V275 HydrophobicContact CD1-CB 4.18Å; L222-V275 HydrophobicContact CD1-CG2 3.53Å; V223-V275 PolarHBondContact O-N 3.45Å; L224-V275 WeakPolarHBondContact CA-O 3.48Å; L224-V275 HydrophobicContact CD1-CB 3.98Å; L224-V275 HydrophobicContact CD1-CG1 3.84Å; Q225-V275 PolarHBondContact N-O 2.81Å; F253-V275 HydrophobicContact CE1-CG2 3.69Å; F253-V275 HydrophobicContact CZ-CG2 3.78Å; V275-V277 HydrophobicContact CG1-CG2 4.24Å; V275-I286 HydrophobicContact CG1-CG2 3.82Å; V275-K287 CarbonylContact C-O 3.58Å; V275-K287 VanDerWaalsContact CA-O 3.25Å; V275-K287 WeakPolarHBondContact CA-O 3.37Å; V275-V288 HydrophobicContact CG2-CG1 4.41Å; V275-V288 HydrophobicContact CG2-CG2 4.28Å
276M97.6Very high93.6Very high62 Ų6259 Ų5931%0.30532%0.32SS..EExtended strand (participates in β ladder)trans-117.8118.4173.6-179.4177.7-72.100109.1Q225 M227 I286 K287Q225-M276 CarbonylContact O-C 3.55Å; Q225-M276 WeakPolarHBondContact O-CA 3.49Å; M227-M276 HydrophobicContact CE-CE 4.21Å; M227-M276 HydrophobicContact SD-SD 4.41Å; M276-I286 CarbonylContact O-C 3.55Å; M276-I286 WeakPolarHBondContact O-CA 3.28Å; M276-K287 HydrophobicContact CB-CB 4.4Å; M276-K287 PolarHBondContact N-O 2.85Å; M276-K287 PolarHBondContact O-N 2.92Å
277V97Very high94.2Very high0 Ų054.5 Ų54.50%029%0.293CS..EExtended strand (participates in β ladder)trans-103.6126.6173.2-173.70000107.9V197 V201 L224 Q225 E226 M227 I236 V275 M284 S285 I286V197-V277 HydrophobicContact CB-CG1 4.2Å; V197-V277 HydrophobicContact CG1-CG1 3.66Å; V197-V277 HydrophobicContact CG1-CG2 4.07Å; V201-V277 HydrophobicContact CG2-CG2 4.41Å; L224-V277 HydrophobicContact CD1-CG2 3.86Å; Q225-V277 PolarHBondContact O-N 3.28Å; E226-V277 CarbonylContact C-O 3.56Å; E226-V277 WeakPolarHBondContact CA-O 3.48Å; E226-V277 HydrophobicContact CG-CB 4.29Å; M227-V277 PolarHBondContact N-O 3.31Å; I236-V277 HydrophobicContact CB-CG1 4.24Å; I236-V277 HydrophobicContact CD1-CB 4.06Å; I236-V277 HydrophobicContact CD1-CG1 3.6Å; I236-V277 WeakPolarHBondContact CD1-O 3.44Å; I236-V277 HydrophobicContact CG2-CG1 4.06Å; V275-V277 HydrophobicContact CG1-CG2 4.24Å; V277-M284 HydrophobicContact CG1-SD 4.43Å; V277-S285 CarbonylContact C-O 3.31Å; V277-S285 WeakPolarHBondContact CA-O 3.29Å; V277-I286 HydrophobicContact CG1-CG1 4.3Å; V277-I286 HydrophobicContact CG2-CG1 4.4Å; V277-I286 HydrophobicContact CG2-CG2 4.25Å
278S95.4Very high94.8Very high44 Ų4446.8 Ų46.831%0.30826%0.264SS..EExtended strand (participates in β ladder)trans-127.2131.1178.7-176.40000110.1M227 M284 S285M227-S278 WeakPolarHBondContact O-CA 3.41Å; S278-M284 WeakPolarHBondContact O-CA 3.35Å; S278-S285 PolarHBondContact N-O 2.98Å; S278-S285 PolarHBondContact O-N 3.39Å
279L94.8Very high95.6Very high13 Ų1340.6 Ų40.67%0.06823%0.232CC..EExtended strand (participates in β ladder)trans-113.3112.6173.8-177.665.8000109.9M227 H229 I236 I238 M284 A363M227-L279 PolarHBondContact O-N 3.06Å; H229-L279 WeakPolarHBondContact CB-O 3.47Å; H229-L279 PolarHBondContact N-O 3.21Å; I236-L279 HydrophobicContact CD1-CB 4.1Å; I236-L279 HydrophobicContact CG1-CB 4.14Å; I236-L279 HydrophobicContact CG2-CB 3.87Å; I236-L279 HydrophobicContact CG2-CD2 4.21Å; I236-L279 HydrophobicContact CG2-CG 4.45Å; I238-L279 HydrophobicContact CG2-CD1 4.01Å; L279-M284 HydrophobicContact CD1-CB 3.89Å; L279-M284 HydrophobicContact CD1-CG 4.03Å; L279-A363 HydrophobicContact CD1-CB 3.85Å
280G90.8Very high96Very high25 Ų2534.7 Ų34.726%0.25820%0.201SC..  trans-93.5-162.4175.100000113.6K230 D283K230-G280 WeakPolarHBondContact CE-O 3.39Å; G280-D283 WeakPolarHBondContact CA-O 3.19Å; G280-D283 PolarHBondContact N-O 3.14Å
281G86.8Confident96.1Very high54 Ų5438.7 Ų38.756%0.55721%0.214SC*.SBendtrans-72.1-50173.900000112.4
282E89.1Confident96.1Very high136 Ų13638.3 Ų38.364%0.63621%0.213SC*.SBendtrans-106.8-38.1-174.5-63.1-179.1178.400112.9A363E282-A363 VanDerWaalsContact O-CB 3.27Å; E282-A363 WeakPolarHBondContact O-CB 3.35Å; E282-A363 PolarHBondContact O-N 3.48Å
283D91.2Very high95.9Very high62 Ų6237 Ų3733%0.33221%0.208SC..EExtended strand (participates in β ladder)trans-113.8149.1-173.9-59.6-42.8000112G280 K362G280-D283 WeakPolarHBondContact CA-O 3.19Å; G280-D283 PolarHBondContact N-O 3.14Å; D283-K362 IonicContact OD1-NZ 3.45Å; D283-K362 PolarHBondContact OD1-NZ 3.08Å
284M95.4Very high95.8Very high0 Ų038 Ų380%022%0.217CC..EExtended strand (participates in β ladder)trans-113.4132164.5-173.2-86.5-88.600108V197 I236 I238 V277 S278 L279 I286 L361V197-M284 HydrophobicContact CG1-CE 4.23Å; V197-M284 HydrophobicContact CG2-CE 3.64Å; I236-M284 HydrophobicContact CG2-CG 4.48Å; I238-M284 HydrophobicContact CD1-CE 3.27Å; I238-M284 HydrophobicContact CG1-CE 3.97Å; I238-M284 HydrophobicContact CG2-CB 4.44Å; I238-M284 HydrophobicContact CG2-CG 4.22Å; V277-M284 HydrophobicContact CG1-SD 4.43Å; S278-M284 WeakPolarHBondContact O-CA 3.35Å; L279-M284 HydrophobicContact CD1-CB 3.89Å; L279-M284 HydrophobicContact CD1-CG 4.03Å; M284-I286 HydrophobicContact CE-CD1 4.05Å; M284-I286 HydrophobicContact CE-CG1 4.35Å; M284-I286 HydrophobicContact SD-CD1 3.94Å; M284-I286 HydrophobicContact SD-CG1 3.57Å; M284-I286 VanDerWaalsContact SD-CG1 3.57Å; M284-L361 HydrophobicContact CB-CB 4.5Å; M284-L361 HydrophobicContact CE-CB 4.31Å; M284-L361 HydrophobicContact CE-CD1 3.61Å; M284-L361 HydrophobicContact CE-CG 4.42Å; M284-L361 PolarHBondContact N-O 3.37Å; M284-L361 PolarHBondContact O-N 3.29Å
285S97.6Very high95.7Very high29 Ų2934.8 Ų34.820%0.20321%0.206CC..EExtended strand (participates in β ladder)trans-126.9135.7-175.9-52.30000111V277 S278 I359 Y360V277-S285 CarbonylContact C-O 3.31Å; V277-S285 WeakPolarHBondContact CA-O 3.29Å; S278-S285 PolarHBondContact N-O 2.98Å; S278-S285 PolarHBondContact O-N 3.39Å; S285-I359 CarbonylContact C-O 3.5Å; S285-I359 VanDerWaalsContact CA-O 3.31Å; S285-I359 WeakPolarHBondContact CA-O 3.31Å; S285-Y360 WeakPolarHBondContact OG-CD1 3.4Å; S285-Y360 WeakPolarHBondContact OG-CE1 3.43Å
286I98.6Very high95.5Very high0 Ų035.8 Ų35.80%021%0.213CC..EExtended strand (participates in β ladder)trans-122.9117173.6-51.9168.8000108V197 L245 L249 V275 M276 V277 M284 V358 I359V197-I286 HydrophobicContact CG1-CD1 3.64Å; V197-I286 HydrophobicContact CG1-CG1 4.15Å; L245-I286 HydrophobicContact CD1-CD1 3.6Å; L245-I286 HydrophobicContact CD2-CD1 4.5Å; L249-I286 HydrophobicContact CD2-CG2 3.95Å; V275-I286 HydrophobicContact CG1-CG2 3.82Å; M276-I286 CarbonylContact O-C 3.55Å; M276-I286 WeakPolarHBondContact O-CA 3.28Å; V277-I286 HydrophobicContact CG1-CG1 4.3Å; V277-I286 HydrophobicContact CG2-CG1 4.4Å; V277-I286 HydrophobicContact CG2-CG2 4.25Å; M284-I286 HydrophobicContact CE-CD1 4.05Å; M284-I286 HydrophobicContact CE-CG1 4.35Å; M284-I286 HydrophobicContact SD-CD1 3.94Å; M284-I286 HydrophobicContact SD-CG1 3.57Å; M284-I286 VanDerWaalsContact SD-CG1 3.57Å; I286-V358 CarbonylContact O-C 3.54Å; I286-V358 WeakPolarHBondContact O-CA 3.24Å; I286-I359 HydrophobicContact CB-CB 4.41Å; I286-I359 PolarHBondContact N-O 2.83Å; I286-I359 PolarHBondContact O-N 2.94Å
287K98.7Very high95.3Very high68 Ų6841.5 Ų41.530%0.29624%0.237SC..EExtended strand (participates in β ladder)trans-106.1121.6176.1-176.6169.387.3146.30110.4V275 M276 D356 A357 V358V275-K287 CarbonylContact C-O 3.58Å; V275-K287 VanDerWaalsContact CA-O 3.25Å; V275-K287 WeakPolarHBondContact CA-O 3.37Å; M276-K287 HydrophobicContact CB-CB 4.4Å; M276-K287 PolarHBondContact N-O 2.85Å; M276-K287 PolarHBondContact O-N 2.92Å; K287-D356 HydrophobicContact CD-CB 4.35Å; K287-D356 WeakPolarHBondContact CD-OD2 3.47Å; K287-D356 HydrophobicContact CG-CB 4.49Å; K287-D356 IonicContact NZ-OD2 2.77Å; K287-D356 PolarHBondContact NZ-OD2 2.8Å; K287-A357 CarbonylContact C-O 3.53Å; K287-A357 WeakPolarHBondContact CA-O 3.36Å; K287-V358 HydrophobicContact CB-CG2 4.24Å; K287-V358 HydrophobicContact CD-CG2 4.12Å; K287-V358 HydrophobicContact CG-CG2 3.93Å
288V98.8Very high95Very high4 Ų450.5 Ų50.52%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-104.7117.7172.3-174.60000108L249 L252 F253 I273 V275 D356 A357L249-V288 HydrophobicContact CD2-CG2 4.19Å; L252-V288 HydrophobicContact CD1-CG2 4.13Å; F253-V288 HydrophobicContact CD1-CG1 4.18Å; F253-V288 HydrophobicContact CE1-CG1 3.99Å; I273-V288 HydrophobicContact CG2-CG1 3.71Å; V275-V288 HydrophobicContact CG2-CG1 4.41Å; V275-V288 HydrophobicContact CG2-CG2 4.28Å; V288-D356 WeakPolarHBondContact O-CA 3.43Å; V288-A357 PolarHBondContact N-O 2.81Å; V288-A357 PolarHBondContact O-N 2.76Å
289S98.8Very high94.9Very high19 Ų1951.4 Ų51.413%0.13327%0.269CS..EExtended strand (participates in β ladder)trans-117.7125.3-176.2-680000110.6K274 T355 D356K274-S289 PolarHBondContact N-O 2.83Å; K274-S289 PolarHBondContact O-N 2.88Å; S289-T355 WeakPolarHBondContact CA-O 3.34Å; S289-D356 WeakPolarHBondContact CB-OD1 3.48Å; S289-D356 PolarHBondContact OG-OD1 3.25Å; S289-D356 PolarHBondContact OG-OD2 2.99Å
290D98.5Very high94.7Very high17 Ų1751.9 Ų51.99%0.09127%0.271CS..  trans-112.3172.417471.656.8000112.6A256 G292 T355A256-D290 HydrophobicContact CB-CB 3.86Å; D290-G292 PolarHBondContact OD1-N 3.32Å; D290-T355 PolarHBondContact N-O 3.25Å; D290-T355 PolarHBondContact OD1-N 2.73Å
291R97.9Very high94.6Very high114 Ų11458.6 Ų58.643%0.4330%0.296SS..  trans-121.845.1167.1-67.2-176176.7177-4.3110H264 P271 G293 F353H264-R291 PolarHBondContact CE1-O 3.02Å; P271-R291 HydrophobicContact CB-CB 3.92Å; P271-R291 HydrophobicContact CB-CG 4.27Å; P271-R291 HydrophobicContact CG-CB 3.68Å; R291-G293 VanDerWaalsContact C-N 3.27Å; R291-G293 PolarHBondContact O-N 3.02Å; R291-F353 CarbonylContact C-O 3.6Å; R291-F353 VanDerWaalsContact C-O 3.31Å; R291-F353 WeakPolarHBondContact CA-O 3.45Å; R291-F353 HydrophobicContact CG-CZ 4.4Å
292G96.6Very high94.7Very high7 Ų759.2 Ų59.27%0.07229%0.287CS..SBendtrans-88.432.6-176.700000114.2A259 T263 D290 G294A259-G292 WeakPolarHBondContact O-CA 3.44Å; T263-G292 PolarHBondContact OG1-O 3.4Å; D290-G292 PolarHBondContact OD1-N 3.32Å; G292-G294 PolarHBondContact O-N 3.27Å
293G95.5Very high94.8Very high18 Ų1854.4 Ų54.419%0.18627%0.265CS..  trans77.3-14.8174.600000115.5R291 G352 F353R291-G293 VanDerWaalsContact C-N 3.27Å; R291-G293 PolarHBondContact O-N 3.02Å; G293-G352 CarbonylContact O-C 3.51Å; G293-G352 WeakPolarHBondContact O-CA 3.33Å; G293-G352 PolarHBondContact O-N 3.48Å; G293-F353 PolarHBondContact N-O 2.83Å; G293-F353 PolarHBondContact O-N 2.85Å
294G96.1Very high94.9Very high20 Ų2052.4 Ų52.421%0.20625%0.253CS..  trans73.4-178173.800000114.9G292 S349G292-G294 PolarHBondContact O-N 3.27Å; G294-S349 WeakPolarHBondContact CA-OG 3.01Å
295V95.2Very high94.8Very high35 Ų3553.9 Ų53.921%0.21226%0.263CS..  trans-133134.2-173.3-179.10000109.2F297 K299 I300 L303 S349V295-F297 PolarHBondContact O-N 3.07Å; V295-K299 HydrophobicContact CG1-CB 3.8Å; V295-I300 HydrophobicContact CB-CD1 3.96Å; V295-I300 HydrophobicContact CG1-CD1 4.08Å; V295-L303 HydrophobicContact CG1-CD1 4.44Å; V295-S349 PolarHBondContact N-OG 3.04Å
296P95.4Very high94.4Very high24 Ų2452.9 Ų52.916%0.15626%0.255CS..  trans-55.7137.2174.4-18.322.9000111.8R298 K299 E351P296-R298 VanDerWaalsContact C-N 3.26Å; P296-R298 HydrophobicContact CB-CG 4.37Å; P296-R298 PolarHBondContact O-N 3.21Å; P296-R298 VanDerWaalsContact O-N 3.1Å; P296-K299 HydrophobicContact CG-CD 4.34Å; P296-K299 PolarHBondContact O-N 3.33Å; P296-E351 WeakPolarHBondContact CA-OE2 3.49Å; P296-E351 WeakPolarHBondContact CB-OE2 3.39Å; P296-E351 HydrophobicContact CG-CG 4.41Å; P296-E351 WeakPolarHBondContact CG-OE1 3.26Å
297F92.6Very high93.7Very high183 Ų18353.8 Ų53.880%0.80326%0.26SS*.G310 helixtrans-50.7-42.6-175.6-178-106.4000113.4V295 K299 I300V295-F297 PolarHBondContact O-N 3.07Å; F297-K299 PolarHBondContact O-N 3.45Å; F297-I300 WeakPolarHBondContact O-CB 3.43Å; F297-I300 WeakPolarHBondContact O-CG1 3.47Å; F297-I300 PolarHBondContact O-N 3.42Å
298R91.8Very high92.8Very high188 Ų18854 Ų5471%0.70926%0.26SS*.G310 helixtrans-57.9-18.3178.274.1-179.516893.8-5.4115.2P296P296-R298 VanDerWaalsContact C-N 3.26Å; P296-R298 HydrophobicContact CB-CG 4.37Å; P296-R298 PolarHBondContact O-N 3.21Å; P296-R298 VanDerWaalsContact O-N 3.1Å
299K92.2Very high91.6Very high64 Ų6456.2 Ų56.228%0.27828%0.275SS..G310 helixtrans-99.9-9-178.5-68.5-174.7176.5-179.40112.7V295 P296 F297 E301 N302 L303V295-K299 HydrophobicContact CG1-CB 3.8Å; P296-K299 HydrophobicContact CG-CD 4.34Å; P296-K299 PolarHBondContact O-N 3.33Å; F297-K299 PolarHBondContact O-N 3.45Å; K299-E301 PolarHBondContact O-N 2.91Å; K299-N302 WeakPolarHBondContact O-CB 3.46Å; K299-N302 PolarHBondContact O-N 3.11Å; K299-N302 VanDerWaalsContact O-N 3.14Å; K299-L303 PolarHBondContact O-N 2.94Å
300I91.1Very high89.7Confident22 Ų2259.5 Ų59.511%0.11329%0.294CS..THydrogen-bonded Turntrans-61.8-45-173.8-65.2-66.8000111.5V295 F297 N302 L303V295-I300 HydrophobicContact CB-CD1 3.96Å; V295-I300 HydrophobicContact CG1-CD1 4.08Å; F297-I300 WeakPolarHBondContact O-CB 3.43Å; F297-I300 WeakPolarHBondContact O-CG1 3.47Å; F297-I300 PolarHBondContact O-N 3.42Å; I300-N302 VanDerWaalsContact C-N 3.25Å; I300-N302 PolarHBondContact O-N 3.39Å; I300-L303 HydrophobicContact CD1-CD1 4.12Å; I300-L303 WeakPolarHBondContact O-CB 3.41Å; I300-L303 PolarHBondContact O-N 2.81Å; I300-L303 VanDerWaalsContact O-N 3.15Å
301E88.7Confident87.8Confident167 Ų16759.5 Ų59.578%0.7830%0.296SS*.G310 helixtrans-62.9-35.7177.4-64-170.7163.200112.1K299 L303 F304K299-E301 PolarHBondContact O-N 2.91Å; E301-L303 PolarHBondContact O-N 3.08Å; E301-F304 PolarHBondContact O-N 2.72Å
302N89.8Confident85.9Confident67 Ų6759.6 Ų59.636%0.35831%0.312SS..G310 helixtrans-66.9-23.4179-62.5-21.7000112.6K299 I300 F304 S305 Y308K299-N302 WeakPolarHBondContact O-CB 3.46Å; K299-N302 PolarHBondContact O-N 3.11Å; K299-N302 VanDerWaalsContact O-N 3.14Å; I300-N302 VanDerWaalsContact C-N 3.25Å; I300-N302 PolarHBondContact O-N 3.39Å; N302-F304 PolarHBondContact O-N 3.08Å; N302-F304 VanDerWaalsContact O-N 3.17Å; N302-S305 WeakPolarHBondContact O-CB 3.34Å; N302-S305 PolarHBondContact O-N 2.98Å; N302-Y308 HydrophobicContact CB-CD1 3.64Å; N302-Y308 HydrophobicContact CB-CD2 4.11Å; N302-Y308 HydrophobicContact CB-CE1 3.91Å; N302-Y308 HydrophobicContact CB-CE2 4.37Å; N302-Y308 HydrophobicContact CB-CG 3.75Å; N302-Y308 WeakPolarHBondContact O-CB 3.4Å; N302-Y308 VanDerWaalsContact O-CD1 3.22Å; N302-Y308 WeakPolarHBondContact O-CD1 3.33Å
303L91.3Very high84.1Confident34 Ų3462.5 Ų62.518%0.17834%0.335CS..G310 helixtrans-61.5-23.7176.9-59.3179.6000112.7V295 K299 I300 E301 Y308 T310 L331 V347V295-L303 HydrophobicContact CG1-CD1 4.44Å; K299-L303 PolarHBondContact O-N 2.94Å; I300-L303 HydrophobicContact CD1-CD1 4.12Å; I300-L303 WeakPolarHBondContact O-CB 3.41Å; I300-L303 PolarHBondContact O-N 2.81Å; I300-L303 VanDerWaalsContact O-N 3.15Å; E301-L303 PolarHBondContact O-N 3.08Å; L303-Y308 HydrophobicContact CD2-CE1 4.47Å; L303-T310 HydrophobicContact CD2-CG2 4.43Å; L303-L331 HydrophobicContact CB-CD2 3.76Å; L303-V347 HydrophobicContact CD1-CG1 4.32Å
304F93.1Very high82.4Confident20 Ų2063.1 Ų63.19%0.08834%0.336CS..G310 helixtrans-95.50.7175.7-64.4-76.3000113.4Q152 E301 N302 L331 P332 R335 L345 V347Q152-F304 PolarHBondContact NE2-O 3.37Å; Q152-F304 VanDerWaalsContact NE2-O 3.12Å; E301-F304 PolarHBondContact O-N 2.72Å; N302-F304 PolarHBondContact O-N 3.08Å; N302-F304 VanDerWaalsContact O-N 3.17Å; F304-L331 HydrophobicContact CD1-CD2 4.26Å; F304-L331 HydrophobicContact CD1-CG 4.03Å; F304-L331 HydrophobicContact CE1-CD1 4.24Å; F304-L331 HydrophobicContact CE1-CD2 3.94Å; F304-L331 HydrophobicContact CE1-CG 3.65Å; F304-L331 HydrophobicContact CZ-CD2 4.14Å; F304-L331 HydrophobicContact CZ-CG 4.26Å; F304-P332 WeakPolarHBondContact O-CG 3.34Å; F304-R335 HydrophobicContact CD1-CB 4.21Å; F304-R335 HydrophobicContact CE1-CB 3.98Å; F304-R335 HydrophobicContact CE1-CG 4.34Å; F304-L345 HydrophobicContact CE1-CD2 4.06Å; F304-L345 HydrophobicContact CZ-CD2 3.99Å; F304-V347 HydrophobicContact CE2-CB 4.46Å; F304-V347 HydrophobicContact CE2-CG2 4.37Å; F304-V347 HydrophobicContact CZ-CB 4.4Å; F304-V347 HydrophobicContact CZ-CG2 3.87Å
305S91.8Very high80.5Confident31 Ų3170.4 Ų70.422%0.21736%0.364CS..  trans-83.1128.4178.3-179.70000111.3Q152 N302 M307 Y308Q152-S305 VanDerWaalsContact OE1-CA 3.27Å; N302-S305 WeakPolarHBondContact O-CB 3.34Å; N302-S305 PolarHBondContact O-N 2.98Å; S305-M307 PolarHBondContact O-N 3.13Å; S305-M307 PolarHBondContact OG-N 2.94Å; S305-Y308 PolarHBondContact O-N 3.48Å; S305-Y308 VanDerWaalsContact O-O 3.1Å
306Y90Very high78.4Confident8 Ų874.6 Ų74.63%0.03139%0.385CS..THydrogen-bonded Turntrans-66.4-16.1175.9-66.1-72.1000114.1Q152 L155 D156 Y159 Y329 P332 I333 L336Q152-Y306 VanDerWaalsContact NE2-CD2 3.31Å; Q152-Y306 VanDerWaalsContact NE2-CE2 3.31Å; Q152-Y306 VanDerWaalsContact OE1-CD2 3.31Å; L155-Y306 HydrophobicContact CB-CD2 3.41Å; L155-Y306 VanDerWaalsContact CB-CD2 3.41Å; L155-Y306 HydrophobicContact CB-CE2 3.38Å; L155-Y306 HydrophobicContact CB-CG 4.05Å; L155-Y306 VanDerWaalsContact CD1-CB 3.43Å; L155-Y306 HydrophobicContact CD1-CD1 4.23Å; L155-Y306 HydrophobicContact CD1-CD2 3.56Å; L155-Y306 HydrophobicContact CD1-CE2 4.37Å; L155-Y306 HydrophobicContact CD1-CG 3.48Å; L155-Y306 VanDerWaalsContact CD1-CG 3.48Å; L155-Y306 HydrophobicContact CG-CD2 4.14Å; L155-Y306 HydrophobicContact CG-CG 4.41Å; D156-Y306 VanDerWaalsContact OD1-CE2 3.28Å; D156-Y306 WeakPolarHBondContact OD1-CE2 3.25Å; D156-Y306 PolarHBondContact OD1-OH 3.02Å; Y159-Y306 AromaticContact CD2-CE1 3.91Å; Y159-Y306 HydrophobicContact CD2-CE1 3.91Å; Y159-Y306 AromaticContact CD2-CZ 3.88Å; Y159-Y306 HydrophobicContact CE2-CD1 4.34Å; Y159-Y306 AromaticContact CE2-CE1 3.81Å; Y159-Y306 HydrophobicContact CE2-CE1 3.81Å; Y306-Y329 AromaticContact CD1-CD1 3.46Å; Y306-Y329 HydrophobicContact CD1-CD1 3.46Å; Y306-Y329 VanDerWaalsContact CD1-CD1 3.46Å; Y306-Y329 HydrophobicContact CD1-CD2 4.05Å; Y306-Y329 AromaticContact CD1-CE1 3.43Å; Y306-Y329 HydrophobicContact CD1-CE1 3.43Å; Y306-Y329 VanDerWaalsContact CD1-CE1 3.43Å; Y306-Y329 HydrophobicContact CD1-CE2 4.04Å; Y306-Y329 AromaticContact CD1-CG 3.78Å; Y306-Y329 HydrophobicContact CD1-CG 3.78Å; Y306-Y329 AromaticContact CD1-CZ 3.74Å; Y306-Y329 AromaticContact CE1-CD1 3.78Å; Y306-Y329 HydrophobicContact CE1-CD1 3.78Å; Y306-Y329 HydrophobicContact CE1-CE1 4.06Å; Y306-Y329 HydrophobicContact CE1-CG 4.25Å; Y306-Y329 HydrophobicContact CG-CE1 4.18Å; Y306-Y329 VanDerWaalsContact O-CE2 3.29Å; Y306-Y329 WeakPolarHBondContact O-CE2 3.22Å; Y306-P332 HydrophobicContact CD1-CB 3.99Å; Y306-P332 HydrophobicContact CD1-CG 4.14Å; Y306-P332 HydrophobicContact CE1-CB 3.38Å; Y306-P332 HydrophobicContact CE1-CG 4.01Å; Y306-P332 HydrophobicContact CE2-CB 4.24Å; Y306-I333 HydrophobicContact CE1-CG1 4.41Å; Y306-L336 WeakPolarHBondContact OH-CD1 3.5Å
307M83.4Confident75.8Confident19 Ų1977.3 Ų77.39%0.09440%0.404CS..THydrogen-bonded Turntrans-98.3-6.6-178-55.7-172.877.200112.4V134 K138 N148 I151 S305V134-M307 HydrophobicContact CG1-CE 4.47Å; V134-M307 HydrophobicContact CG1-CG 4.35Å; K138-M307 PolarHBondContact NZ-O 3.37Å; N148-M307 HydrophobicContact CB-SD 3.61Å; N148-M307 WeakPolarHBondContact OD1-CE 3.29Å; N148-M307 PolarHBondContact OD1-SD 2.92Å; I151-M307 HydrophobicContact CB-SD 4.35Å; I151-M307 HydrophobicContact CD1-CE 4.26Å; I151-M307 HydrophobicContact CD1-SD 4.32Å; I151-M307 HydrophobicContact CG2-SD 4.26Å; S305-M307 PolarHBondContact O-N 3.13Å; S305-M307 PolarHBondContact OG-N 2.94Å
308Y79.8Confident73.1Confident74 Ų7475 Ų7529%0.2940%0.4SS..  trans-107.9126.3177.7-171.9-102.9000109.8N302 L303 S305 T310N302-Y308 HydrophobicContact CB-CD1 3.64Å; N302-Y308 HydrophobicContact CB-CD2 4.11Å; N302-Y308 HydrophobicContact CB-CE1 3.91Å; N302-Y308 HydrophobicContact CB-CE2 4.37Å; N302-Y308 HydrophobicContact CB-CG 3.75Å; N302-Y308 WeakPolarHBondContact O-CB 3.4Å; N302-Y308 VanDerWaalsContact O-CD1 3.22Å; N302-Y308 WeakPolarHBondContact O-CD1 3.33Å; L303-Y308 HydrophobicContact CD2-CE1 4.47Å; S305-Y308 PolarHBondContact O-N 3.48Å; S305-Y308 VanDerWaalsContact O-O 3.1Å; Y308-T310 HydrophobicContact CE1-CG2 4.02Å
309S73.6Confident70.9Confident50 Ų5075.8 Ų75.835%0.3541%0.411SS..  trans-133.4142.5173.6179.20000109.5A311S309-A311 VanDerWaalsContact C-N 3.33Å; S309-A311 PolarHBondContact OG-N 2.82Å; S309-A311 VanDerWaalsContact OG-N 3.14Å; S309-A311 PolarHBondContact OG-O 2.55Å
310T58.5Low68.4Low88 Ų8877.9 Ų77.954%0.5443%0.434SS..SBendtrans-91.92.7173.756.10000112.4L303 Y308L303-T310 HydrophobicContact CD2-CG2 4.43Å; Y308-T310 HydrophobicContact CE1-CG2 4.02Å
311A60.3Low66.1Low16 Ų1680.8 Ų80.813%0.13246%0.456CS..SBendtrans-130.1149.5178.100000111.5S309 A325S309-A311 VanDerWaalsContact C-N 3.33Å; S309-A311 PolarHBondContact OG-N 2.82Å; S309-A311 VanDerWaalsContact OG-N 3.14Å; S309-A311 PolarHBondContact OG-O 2.55Å; A311-A325 HydrophobicContact CB-CB 3.57Å
312P56.9Low64.4Low117 Ų11777.5 Ų77.576%0.7645%0.448SS*.PPolyproline II helixtrans-58.9150.6169.925.5-32.6000110.8
313A59.3Low62.8Low67 Ų6777.1 Ų77.155%0.55445%0.449SS*.PPolyproline II helixtrans-62.2127.7-179.700000110.1Q315A313-Q315 PolarHBondContact O-N 2.79Å
314P59.9Low61.1Low32 Ų3276.3 Ų76.321%0.20845%0.445CS..PPolyproline II helixtrans-64.9136.5175.127-32.8000109.3I316 P323 F327P314-I316 PolarHBondContact O-N 2.94Å; P314-P323 HydrophobicContact CB-CG 4.1Å; P314-F327 HydrophobicContact CG-CD1 4.02Å; P314-F327 HydrophobicContact CG-CD2 4.37Å; P314-F327 HydrophobicContact CG-CE1 3.92Å; P314-F327 HydrophobicContact CG-CE2 4.26Å; P314-F327 HydrophobicContact CG-CG 4.25Å; P314-F327 HydrophobicContact CG-CZ 4.04Å
315Q55.1Low59.4Low172 Ų17276.8 Ų76.880%0.80445%0.453SS*.PPolyproline II helixtrans-72.5128.7169.8-64.5-147.6-12.500108.7A313 S317A313-Q315 PolarHBondContact O-N 2.79Å; Q315-S317 PolarHBondContact O-N 2.98Å
316I52.7Low58.2Low124 Ų12476.7 Ų76.764%0.63646%0.456SS*.  trans-76.666.9174.4-50.9171.3000107.6Q132 P314 F327Q132-I316 HydrophobicContact CG-CD1 4.41Å; P314-I316 PolarHBondContact O-N 2.94Å; I316-F327 HydrophobicContact CD1-CZ 3.99Å; I316-F327 HydrophobicContact CG1-CZ 3.89Å
317S39.3Very low57.1Low80 Ų8078.6 Ų78.656%0.55946%0.464SS*.  trans-128.3116.9171.758.60000108.6Q315Q315-S317 PolarHBondContact O-N 2.98Å
318D37Very low57.1Low136 Ų13679 Ų7973%0.72747%0.473SS*.  trans74.2114.5179.4-65.3-23.2000118.3S320D318-S320 PolarHBondContact O-N 3.18Å
319H44.6Very low57.6Low204 Ų20476 Ų7694%0.94446%0.462SS*.THydrogen-bonded Turntrans-60.615.9177.5-71.7-82.6000115.7
320S39.4Very low58.5Low107 Ų10774.5 Ų74.575%0.74845%0.454SS*.THydrogen-bonded Turntrans-111-8.5-166.364.80000115.7D318D318-S320 PolarHBondContact O-N 3.18Å
321S44.1Very low60.1Low84 Ų8471.3 Ų71.359%0.58743%0.433SS*.  trans-140.3124.7175.6640000112.3P323S321-P323 VanDerWaalsContact O-CD 3.26Å; S321-P323 WeakPolarHBondContact O-CD 3.43Å
322T51.7Low61.9Low98 Ų9870.6 Ų70.660%0.60143%0.427SS*.  trans-80110.2169.6-48.90000106.5
323P56.5Low63.7Low59 Ų5965.7 Ų65.738%0.38340%0.395SS..  trans-65.2145.9-178.127.9-34.4000109.8P314 S321 A325P314-P323 HydrophobicContact CB-CG 4.1Å; S321-P323 VanDerWaalsContact O-CD 3.26Å; S321-P323 WeakPolarHBondContact O-CD 3.43Å; P323-A325 WeakPolarHBondContact CB-O 3.45Å; P323-A325 PolarHBondContact O-N 2.78Å
324L55.4Low65.6Low17 Ų1762.5 Ų62.59%0.08937%0.368CS..SBendtrans-59.6-32.8179.5-166.674.1000111.5L211 Y216 K254 R258L211-L324 HydrophobicContact CB-CD1 4.06Å; Y216-L324 HydrophobicContact CD2-CD2 4.02Å; Y216-L324 HydrophobicContact CE2-CD2 3.31Å; K254-L324 HydrophobicContact CB-CD1 4.2Å; K254-L324 HydrophobicContact CD-CD1 4.15Å; K254-L324 HydrophobicContact CG-CD1 3.89Å; R258-L324 HydrophobicContact CB-CD2 4.21Å
325A58.7Low67.4Low30 Ų3063.5 Ų63.525%0.24837%0.368CS..SBendtrans-114.3120.7168.800000110.5A311 P323A311-A325 HydrophobicContact CB-CB 3.57Å; P323-A325 WeakPolarHBondContact CB-O 3.45Å; P323-A325 PolarHBondContact O-N 2.78Å
326G65.3Low69.5Low28 Ų2855.5 Ų55.529%0.28933%0.33SS..  trans-100.6-151.1179.200000113.2G328G326-G328 PolarHBondContact O-N 2.87Å
327F68.6Low71.7Confident48 Ų4850.8 Ų50.821%0.21131%0.305CS..SBendtrans-63.33.4179.5-64.6-74.4000116.2P128 A131 I135 P314 I316 Y329P128-F327 HydrophobicContact CB-CE2 3.94Å; A131-F327 HydrophobicContact CB-CB 4.25Å; A131-F327 HydrophobicContact CB-CG 4.23Å; I135-F327 HydrophobicContact CD1-CD1 3.66Å; I135-F327 HydrophobicContact CD1-CE1 3.99Å; P314-F327 HydrophobicContact CG-CD1 4.02Å; P314-F327 HydrophobicContact CG-CD2 4.37Å; P314-F327 HydrophobicContact CG-CE1 3.92Å; P314-F327 HydrophobicContact CG-CE2 4.26Å; P314-F327 HydrophobicContact CG-CG 4.25Å; P314-F327 HydrophobicContact CG-CZ 4.04Å; I316-F327 HydrophobicContact CD1-CZ 3.99Å; I316-F327 HydrophobicContact CG1-CZ 3.89Å; F327-Y329 VanDerWaalsContact C-N 3.34Å; F327-Y329 HydrophobicContact CB-CD2 4.01Å; F327-Y329 VanDerWaalsContact O-CD2 3.31Å; F327-Y329 WeakPolarHBondContact O-CD2 3.45Å
328G81.9Confident74.5Confident27 Ų2747 Ų4728%0.27828%0.278SS..SBendtrans80.89.2-172.800000114.6G326G326-G328 PolarHBondContact O-N 2.87Å
329Y90.5Very high77.4Confident13 Ų1342 Ų425%0.05125%0.25CS..  trans-91.7-9.7-174.6-80.7-132.2000113.5A131 L155 Y159 Y306 F327 P332 I333A131-Y329 HydrophobicContact CB-CD1 4.14Å; A131-Y329 HydrophobicContact CB-CD2 4.28Å; A131-Y329 HydrophobicContact CB-CE1 3.72Å; A131-Y329 HydrophobicContact CB-CE2 3.87Å; A131-Y329 HydrophobicContact CB-CG 4.41Å; L155-Y329 HydrophobicContact CD1-CE1 4.48Å; Y159-Y329 AromaticContact CE2-CD1 3.73Å; Y159-Y329 HydrophobicContact CE2-CD1 3.73Å; Y159-Y329 AromaticContact CE2-CE1 3.67Å; Y159-Y329 HydrophobicContact CE2-CE1 3.67Å; Y159-Y329 AromaticContact CZ-CD1 3.94Å; Y159-Y329 AromaticContact CZ-CE1 3.84Å; Y159-Y329 WeakPolarHBondContact OH-CE1 3.49Å; Y306-Y329 AromaticContact CD1-CD1 3.46Å; Y306-Y329 HydrophobicContact CD1-CD1 3.46Å; Y306-Y329 VanDerWaalsContact CD1-CD1 3.46Å; Y306-Y329 HydrophobicContact CD1-CD2 4.05Å; Y306-Y329 AromaticContact CD1-CE1 3.43Å; Y306-Y329 HydrophobicContact CD1-CE1 3.43Å; Y306-Y329 VanDerWaalsContact CD1-CE1 3.43Å; Y306-Y329 HydrophobicContact CD1-CE2 4.04Å; Y306-Y329 AromaticContact CD1-CG 3.78Å; Y306-Y329 HydrophobicContact CD1-CG 3.78Å; Y306-Y329 AromaticContact CD1-CZ 3.74Å; Y306-Y329 AromaticContact CE1-CD1 3.78Å; Y306-Y329 HydrophobicContact CE1-CD1 3.78Å; Y306-Y329 HydrophobicContact CE1-CE1 4.06Å; Y306-Y329 HydrophobicContact CE1-CG 4.25Å; Y306-Y329 HydrophobicContact CG-CE1 4.18Å; Y306-Y329 VanDerWaalsContact O-CE2 3.29Å; Y306-Y329 WeakPolarHBondContact O-CE2 3.22Å; F327-Y329 VanDerWaalsContact C-N 3.34Å; F327-Y329 HydrophobicContact CB-CD2 4.01Å; F327-Y329 VanDerWaalsContact O-CD2 3.31Å; F327-Y329 WeakPolarHBondContact O-CD2 3.45Å; Y329-P332 WeakPolarHBondContact O-CD 3.32Å; Y329-I333 HydrophobicContact CD1-CD1 4.34Å; Y329-I333 VanDerWaalsContact O-CB 3.28Å; Y329-I333 WeakPolarHBondContact O-CB 3.44Å; Y329-I333 WeakPolarHBondContact O-CG1 3.44Å; Y329-I333 PolarHBondContact O-N 3.4Å
330G91.9Very high80Confident17 Ų1732.3 Ų32.318%0.17521%0.205CC..Hα-helixtrans-60-50.4-173.600000113.6E251 S334E251-G330 WeakPolarHBondContact OE2-CA 3.49Å; G330-S334 VanDerWaalsContact O-CB 3.3Å; G330-S334 WeakPolarHBondContact O-CB 3.13Å; G330-S334 PolarHBondContact O-N 2.82Å; G330-S334 PolarHBondContact O-OG 2.87Å
331L93.9Very high82.8Confident21 Ų2127.3 Ų27.311%0.1117%0.17CC..Hα-helixtrans-70-46.8-178.3-171.270000113.3L252 L303 F304 I333 S334 R335 L345 V347L252-L331 HydrophobicContact CD2-CD1 3.68Å; L303-L331 HydrophobicContact CB-CD2 3.76Å; F304-L331 HydrophobicContact CD1-CD2 4.26Å; F304-L331 HydrophobicContact CD1-CG 4.03Å; F304-L331 HydrophobicContact CE1-CD1 4.24Å; F304-L331 HydrophobicContact CE1-CD2 3.94Å; F304-L331 HydrophobicContact CE1-CG 3.65Å; F304-L331 HydrophobicContact CZ-CD2 4.14Å; F304-L331 HydrophobicContact CZ-CG 4.26Å; L331-I333 VanDerWaalsContact C-N 3.34Å; L331-I333 PolarHBondContact O-N 2.84Å; L331-S334 PolarHBondContact O-N 2.8Å; L331-R335 PolarHBondContact O-N 2.91Å; L331-L345 HydrophobicContact CD1-CD1 4.47Å; L331-L345 HydrophobicContact CD1-CD2 3.95Å; L331-V347 HydrophobicContact CD1-CG2 4.32Å; L331-V347 HydrophobicContact CD2-CG2 4.27Å
332P96.3Very high85.4Confident1 Ų126.8 Ų26.81%0.00616%0.158CC..Hα-helixtrans-55.2-46.2172.2-21.927.2000113.1F304 Y306 Y329 R335 L336F304-P332 WeakPolarHBondContact O-CG 3.34Å; Y306-P332 HydrophobicContact CD1-CB 3.99Å; Y306-P332 HydrophobicContact CD1-CG 4.14Å; Y306-P332 HydrophobicContact CE1-CB 3.38Å; Y306-P332 HydrophobicContact CE1-CG 4.01Å; Y306-P332 HydrophobicContact CE2-CB 4.24Å; Y329-P332 WeakPolarHBondContact O-CD 3.32Å; P332-R335 WeakPolarHBondContact O-CB 3.46Å; P332-R335 PolarHBondContact O-N 3.31Å; P332-L336 WeakPolarHBondContact O-CG 3.34Å; P332-L336 PolarHBondContact O-N 3.36Å; P332-L336 VanDerWaalsContact O-N 3.12Å
333I96.4Very high87.6Confident15 Ų1522.6 Ų22.68%0.07713%0.134CC..Hα-helixtrans-67.4-39.5-179.9-69175.5000111.3V127 Y159 Y306 Y329 L331 R335 L336 Y337V127-I333 HydrophobicContact CG1-CD1 3.55Å; V127-I333 HydrophobicContact CG2-CD1 4.36Å; Y159-I333 HydrophobicContact CD2-CG1 4.37Å; Y306-I333 HydrophobicContact CE1-CG1 4.41Å; Y329-I333 HydrophobicContact CD1-CD1 4.34Å; Y329-I333 VanDerWaalsContact O-CB 3.28Å; Y329-I333 WeakPolarHBondContact O-CB 3.44Å; Y329-I333 WeakPolarHBondContact O-CG1 3.44Å; Y329-I333 PolarHBondContact O-N 3.4Å; L331-I333 VanDerWaalsContact C-N 3.34Å; L331-I333 PolarHBondContact O-N 2.84Å; I333-R335 VanDerWaalsContact C-N 3.27Å; I333-R335 PolarHBondContact O-N 3.32Å; I333-L336 WeakPolarHBondContact O-CA 3.46Å; I333-L336 WeakPolarHBondContact O-CB 3.12Å; I333-L336 PolarHBondContact O-N 3.23Å; I333-Y337 HydrophobicContact CG2-CD2 3.77Å; I333-Y337 HydrophobicContact CG2-CE2 3.52Å; I333-Y337 WeakPolarHBondContact O-CD2 3.3Å; I333-Y337 PolarHBondContact O-N 3.45Å
334S98.1Very high89.6Confident0 Ų021.4 Ų21.40%013%0.125CC..Hα-helixtrans-58.6-41174.3-63.60000111.4M248 E251 G330 L331 L336 Y337 A338M248-S334 WeakPolarHBondContact CG-O 3.46Å; M248-S334 VanDerWaalsContact SD-O 3.37Å; E251-S334 WeakPolarHBondContact CB-OG 3.13Å; G330-S334 VanDerWaalsContact O-CB 3.3Å; G330-S334 WeakPolarHBondContact O-CB 3.13Å; G330-S334 PolarHBondContact O-N 2.82Å; G330-S334 PolarHBondContact O-OG 2.87Å; L331-S334 PolarHBondContact O-N 2.8Å; S334-L336 VanDerWaalsContact C-N 3.32Å; S334-L336 PolarHBondContact O-N 3.49Å; S334-Y337 PolarHBondContact O-N 3.09Å; S334-A338 PolarHBondContact O-N 3.4Å; S334-A338 VanDerWaalsContact O-N 3.12Å
335R98.4Very high91.6Very high52 Ų5220.6 Ų20.620%0.19612%0.121CC..Hα-helixtrans-62.5-37.9173.4-169175.383.21746.1112.3D156 F304 L331 P332 I333 A338 K339 D344 L345D156-R335 IonicContact OD2-NH2 3.6Å; F304-R335 HydrophobicContact CD1-CB 4.21Å; F304-R335 HydrophobicContact CE1-CB 3.98Å; F304-R335 HydrophobicContact CE1-CG 4.34Å; L331-R335 PolarHBondContact O-N 2.91Å; P332-R335 WeakPolarHBondContact O-CB 3.46Å; P332-R335 PolarHBondContact O-N 3.31Å; I333-R335 VanDerWaalsContact C-N 3.27Å; I333-R335 PolarHBondContact O-N 3.32Å; R335-A338 PolarHBondContact O-N 2.82Å; R335-K339 HydrophobicContact CG-CD 4.28Å; R335-K339 HydrophobicContact CG-CG 4.47Å; R335-K339 WeakPolarHBondContact O-CB 3.36Å; R335-K339 WeakPolarHBondContact O-CG 3.29Å; R335-K339 PolarHBondContact O-N 3.12Å; R335-D344 WeakPolarHBondContact CG-OD1 3.43Å; R335-L345 HydrophobicContact CB-CB 4.07Å; R335-L345 HydrophobicContact CG-CB 4.03Å
336L98.6Very high93.5Very high4 Ų422.5 Ų22.52%0.02112%0.124CC..Hα-helixtrans-65.6-39.8175.4-62.8178.5000112.3D156 Y159 M160 I163 Y306 P332 I333 S334 A338 K339 Y340D156-L336 HydrophobicContact CB-CD2 4.14Å; D156-L336 WeakPolarHBondContact O-CD1 3.31Å; Y159-L336 VanDerWaalsContact CB-CD1 3.44Å; Y159-L336 HydrophobicContact CG-CD1 4.49Å; M160-L336 HydrophobicContact CE-CB 4.09Å; M160-L336 HydrophobicContact CE-CD2 3.78Å; M160-L336 WeakPolarHBondContact CE-O 3.46Å; I163-L336 HydrophobicContact CD1-CB 3.97Å; Y306-L336 WeakPolarHBondContact OH-CD1 3.5Å; P332-L336 WeakPolarHBondContact O-CG 3.34Å; P332-L336 PolarHBondContact O-N 3.36Å; P332-L336 VanDerWaalsContact O-N 3.12Å; I333-L336 WeakPolarHBondContact O-CA 3.46Å; I333-L336 WeakPolarHBondContact O-CB 3.12Å; I333-L336 PolarHBondContact O-N 3.23Å; S334-L336 VanDerWaalsContact C-N 3.32Å; S334-L336 PolarHBondContact O-N 3.49Å; L336-A338 VanDerWaalsContact C-N 3.31Å; L336-A338 PolarHBondContact O-N 2.98Å; L336-K339 PolarHBondContact O-N 3.37Å; L336-Y340 WeakPolarHBondContact O-CB 3.46Å; L336-Y340 PolarHBondContact O-N 3Å
337Y98.6Very high95Very high25 Ų2521.9 Ų21.910%0.09812%0.115CC..Hα-helixtrans-60.9-39.1173.9-81.9-70.4000112.4I163 H244 H247 I333 S334I163-Y337 HydrophobicContact CB-CE1 4.5Å; I163-Y337 HydrophobicContact CD1-CD1 3.95Å; I163-Y337 HydrophobicContact CD1-CD2 4.2Å; I163-Y337 HydrophobicContact CD1-CE1 3.97Å; I163-Y337 HydrophobicContact CD1-CE2 4.23Å; I163-Y337 HydrophobicContact CD1-CG 4.07Å; I163-Y337 HydrophobicContact CG1-CD1 4.24Å; I163-Y337 HydrophobicContact CG1-CE1 3.8Å; I163-Y337 HydrophobicContact CG2-CD1 4.07Å; I163-Y337 HydrophobicContact CG2-CE1 3.92Å; H244-Y337 HydrophobicContact CB-CD1 3.93Å; H244-Y337 HydrophobicContact CB-CE1 4.49Å; H244-Y337 AromaticContact CD2-CD1 3.85Å; H244-Y337 AromaticContact CD2-CE1 3.61Å; H244-Y337 AromaticContact CG-CD1 3.61Å; H244-Y337 AromaticContact CG-CE1 3.88Å; H244-Y337 AromaticContact ND1-CD1 3.81Å; H244-Y337 AromaticContact NE2-CE1 3.81Å; H247-Y337 AromaticContact CD2-CD2 3.34Å; H247-Y337 WeakPolarHBondContact CD2-CD2 3.25Å; H247-Y337 AromaticContact CD2-CE2 3.22Å; H247-Y337 WeakPolarHBondContact CD2-CE2 3.35Å; H247-Y337 AromaticContact CG-CE2 3.89Å; H247-Y337 AromaticContact NE2-CD2 3.99Å; H247-Y337 AromaticContact NE2-CE2 3.6Å; I333-Y337 HydrophobicContact CG2-CD2 3.77Å; I333-Y337 HydrophobicContact CG2-CE2 3.52Å; I333-Y337 WeakPolarHBondContact O-CD2 3.3Å; I333-Y337 PolarHBondContact O-N 3.45Å; S334-Y337 PolarHBondContact O-N 3.09Å
338A98.4Very high96.4Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-65.2-48.6173.600000111.2M248 S334 R335 L336 Y340 G343 L345 I359M248-A338 HydrophobicContact SD-CB 3.65Å; M248-A338 PolarHBondContact SD-N 2.8Å; S334-A338 PolarHBondContact O-N 3.4Å; S334-A338 VanDerWaalsContact O-N 3.12Å; R335-A338 PolarHBondContact O-N 2.82Å; L336-A338 VanDerWaalsContact C-N 3.31Å; L336-A338 PolarHBondContact O-N 2.98Å; A338-Y340 PolarHBondContact O-N 3.38Å; A338-G343 CarbonylContact O-C 3.54Å; A338-G343 WeakPolarHBondContact O-CA 3.38Å; A338-G343 PolarHBondContact O-N 3.22Å; A338-L345 HydrophobicContact CB-CB 4.25Å; A338-I359 HydrophobicContact CB-CG2 4.39Å
339K98.6Very high97.1Very high33 Ų3325.7 Ų25.714%0.14313%0.125CC..Hα-helixtrans-65.6-24-179.4-74.7-173.6179.3-169.30114.3M160 R335 L336 F341 Q342 G343 D344 R371M160-K339 HydrophobicContact CE-CB 3.78Å; R335-K339 HydrophobicContact CG-CD 4.28Å; R335-K339 HydrophobicContact CG-CG 4.47Å; R335-K339 WeakPolarHBondContact O-CB 3.36Å; R335-K339 WeakPolarHBondContact O-CG 3.29Å; R335-K339 PolarHBondContact O-N 3.12Å; L336-K339 PolarHBondContact O-N 3.37Å; K339-F341 VanDerWaalsContact C-N 3.25Å; K339-F341 PolarHBondContact O-N 3.36Å; K339-Q342 PolarHBondContact O-N 2.95Å; K339-G343 WeakPolarHBondContact CA-O 3.48Å; K339-D344 WeakPolarHBondContact CE-OD1 3.41Å; K339-D344 WeakPolarHBondContact CE-OD2 3.16Å; K339-D344 IonicContact NZ-OD1 2.7Å; K339-D344 IonicContact NZ-OD2 3.45Å; K339-R371 VanDerWaalsContact O-CB 3.3Å; K339-R371 WeakPolarHBondContact O-CB 3.29Å; K339-R371 WeakPolarHBondContact O-CD 3.43Å
340Y98.7Very high97.5Very high0 Ų030.6 Ų30.60%015%0.149CC..Hα-helixtrans-59.7-35.8-175.6176.4-125.4000112.4M160 I163 S164 M167 L336 A338 E370 R371 L372M160-Y340 HydrophobicContact SD-CD2 3.79Å; M160-Y340 HydrophobicContact SD-CG 4.21Å; I163-Y340 HydrophobicContact CG2-CD1 3.66Å; I163-Y340 HydrophobicContact CG2-CD2 4.19Å; I163-Y340 HydrophobicContact CG2-CE1 3.89Å; I163-Y340 HydrophobicContact CG2-CE2 4.43Å; I163-Y340 HydrophobicContact CG2-CG 3.81Å; S164-Y340 WeakPolarHBondContact CA-OH 3.46Å; M167-Y340 HydrophobicContact CB-CE1 4.22Å; M167-Y340 WeakPolarHBondContact CB-OH 3.31Å; M167-Y340 HydrophobicContact CG-CE1 4.21Å; M167-Y340 VanDerWaalsContact CG-OH 3.3Å; M167-Y340 WeakPolarHBondContact CG-OH 3.31Å; L336-Y340 WeakPolarHBondContact O-CB 3.46Å; L336-Y340 PolarHBondContact O-N 3Å; A338-Y340 PolarHBondContact O-N 3.38Å; Y340-E370 HydrophobicContact CE2-CB 4.05Å; Y340-E370 HydrophobicContact CE2-CG 3.68Å; Y340-E370 CarbonylContact O-C 3.58Å; Y340-E370 VanDerWaalsContact O-CA 3.28Å; Y340-E370 WeakPolarHBondContact O-CA 3.46Å; Y340-E370 VanDerWaalsContact OH-CD 3.28Å; Y340-E370 WeakPolarHBondContact OH-CG 3.49Å; Y340-E370 PolarHBondContact OH-OE1 3.34Å; Y340-R371 PolarHBondContact O-N 3.23Å; Y340-L372 HydrophobicContact CE2-CD2 4.18Å
341F98.4Very high97.7Very high1 Ų136.4 Ų36.40%0.00417%0.172CC..THydrogen-bonded Turntrans-112.646.6173.8-70-64.7000112.3M33 M167 Y240 V241 K339 G343 E370M33-F341 HydrophobicContact CE-CB 4.1Å; M33-F341 HydrophobicContact CE-CD1 4.05Å; M33-F341 HydrophobicContact CE-CD2 3.15Å; M33-F341 HydrophobicContact CE-CE1 4.25Å; M33-F341 HydrophobicContact CE-CE2 3.37Å; M33-F341 HydrophobicContact CE-CG 3.51Å; M33-F341 HydrophobicContact CE-CZ 3.93Å; M33-F341 HydrophobicContact CG-CD1 3.97Å; M33-F341 HydrophobicContact CG-CE1 3.84Å; M33-F341 HydrophobicContact CG-CE2 4.49Å; M33-F341 HydrophobicContact CG-CG 4.37Å; M33-F341 HydrophobicContact CG-CZ 4.11Å; M167-F341 HydrophobicContact CE-CZ 4.18Å; Y240-F341 HydrophobicContact CE2-CB 4.47Å; Y240-F341 HydrophobicContact CE2-CD2 4.42Å; V241-F341 HydrophobicContact CG2-CE2 4.36Å; K339-F341 VanDerWaalsContact C-N 3.25Å; K339-F341 PolarHBondContact O-N 3.36Å; F341-G343 PolarHBondContact O-N 3.46Å; F341-G343 VanDerWaalsContact O-N 3.14Å; F341-E370 HydrophobicContact CE1-CG 3.99Å
342Q97.9Very high97.8Very high73 Ų7338.8 Ų38.834%0.34120%0.201SC..THydrogen-bonded Turntrans6118.8176-47.8-55-36.900115.9K339 K362 I369K339-Q342 PolarHBondContact O-N 2.95Å; Q342-K362 HydrophobicContact CB-CG 4.21Å; Q342-I369 HydrophobicContact CG-CB 4.38Å; Q342-I369 WeakPolarHBondContact CG-O 3.03Å; Q342-I369 PolarHBondContact NE2-O 3.02Å
343G98.1Very high97.8Very high10 Ų1043.9 Ų43.910%0.10322%0.223CC..  trans-85.8-167.6168.400000113.1A338 K339 F341 Y360A338-G343 CarbonylContact O-C 3.54Å; A338-G343 WeakPolarHBondContact O-CA 3.38Å; A338-G343 PolarHBondContact O-N 3.22Å; K339-G343 WeakPolarHBondContact CA-O 3.48Å; F341-G343 PolarHBondContact O-N 3.46Å; F341-G343 VanDerWaalsContact O-N 3.14Å; G343-Y360 CarbonylContact C-O 3.09Å; G343-Y360 WeakPolarHBondContact CA-O 3.26Å
344D98.4Very high97.8Very high34 Ų3443.2 Ų43.218%0.18222%0.221CC..EExtended strand (participates in β ladder)trans-156.5167.3167.6-148.6-21000111.1R335 K339 H346 Y360R335-D344 WeakPolarHBondContact CG-OD1 3.43Å; K339-D344 WeakPolarHBondContact CE-OD1 3.41Å; K339-D344 WeakPolarHBondContact CE-OD2 3.16Å; K339-D344 IonicContact NZ-OD1 2.7Å; K339-D344 IonicContact NZ-OD2 3.45Å; D344-H346 IonicContact OD2-CE1 2.92Å; D344-H346 IonicContact OD2-NE2 3.41Å; D344-Y360 PolarHBondContact N-O 2.95Å; D344-Y360 PolarHBondContact O-N 2.75Å
345L98.5Very high97.8Very high0 Ų044.1 Ų44.10%023%0.226CC..EExtended strand (participates in β ladder)trans-128.3119.6171.7-170.4166.1000108.8L252 F304 L331 R335 A338 V347 V358 I359L252-L345 HydrophobicContact CD1-CD1 4.35Å; L252-L345 HydrophobicContact CD2-CD1 4.31Å; F304-L345 HydrophobicContact CE1-CD2 4.06Å; F304-L345 HydrophobicContact CZ-CD2 3.99Å; L331-L345 HydrophobicContact CD1-CD1 4.47Å; L331-L345 HydrophobicContact CD1-CD2 3.95Å; R335-L345 HydrophobicContact CB-CB 4.07Å; R335-L345 HydrophobicContact CG-CB 4.03Å; A338-L345 HydrophobicContact CB-CB 4.25Å; L345-V347 HydrophobicContact CD2-CG2 3.91Å; L345-V358 WeakPolarHBondContact CA-O 3.17Å; L345-I359 HydrophobicContact CD1-CG1 4.17Å; L345-I359 HydrophobicContact CG-CG1 4.21Å
346H97.9Very high97.9Very high70 Ų7043.8 Ų43.832%0.32423%0.228SC..EExtended strand (participates in β ladder)trans-114.6149.7177-64.2-68000111.6D344 Y348 A357 V358 Y360D344-H346 IonicContact OD2-CE1 2.92Å; D344-H346 IonicContact OD2-NE2 3.41Å; H346-Y348 HydrophobicContact CB-CD2 4.46Å; H346-Y348 HydrophobicContact CB-CE2 3.57Å; H346-A357 CarbonylContact O-C 3.47Å; H346-A357 WeakPolarHBondContact O-CA 3.42Å; H346-V358 PolarHBondContact N-O 2.92Å; H346-V358 PolarHBondContact O-N 3.01Å; H346-Y360 AromaticContact CD2-CD2 3.82Å; H346-Y360 AromaticContact CD2-CE2 3.67Å
347V97.6Very high97.9Very high15 Ų1544 Ų449%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-126.3127.1177175.70000108.5L303 F304 L331 L345 T355 D356 A357L303-V347 HydrophobicContact CD1-CG1 4.32Å; F304-V347 HydrophobicContact CE2-CB 4.46Å; F304-V347 HydrophobicContact CE2-CG2 4.37Å; F304-V347 HydrophobicContact CZ-CB 4.4Å; F304-V347 HydrophobicContact CZ-CG2 3.87Å; L331-V347 HydrophobicContact CD1-CG2 4.32Å; L331-V347 HydrophobicContact CD2-CG2 4.27Å; L345-V347 HydrophobicContact CD2-CG2 3.91Å; V347-T355 HydrophobicContact CG1-CG2 3.44Å; V347-T355 VanDerWaalsContact CG1-CG2 3.44Å; V347-D356 WeakPolarHBondContact CA-O 3.41Å; V347-A357 HydrophobicContact CG2-CB 4.18Å
348Y97.5Very high97.9Very high130 Ų13043.4 Ų43.451%0.5123%0.229SC..EExtended strand (participates in β ladder)trans-124.4122.5177.5-53.7-81.9000107.9H346 D356 V358H346-Y348 HydrophobicContact CB-CD2 4.46Å; H346-Y348 HydrophobicContact CB-CE2 3.57Å; Y348-D356 PolarHBondContact N-O 3.31Å; Y348-D356 PolarHBondContact O-N 2.81Å; Y348-V358 HydrophobicContact CD2-CG2 4.34Å; Y348-V358 HydrophobicContact CE2-CG2 4.26Å
349S96.8Very high97.9Very high26 Ų2643.4 Ų43.418%0.18223%0.229CC..EExtended strand (participates in β ladder)trans-125.1144.9-176.6-158.20000111.5G294 V295 G354 T355G294-S349 WeakPolarHBondContact CA-OG 3.01Å; V295-S349 PolarHBondContact N-OG 3.04Å; S349-G354 PolarHBondContact OG-O 3.35Å; S349-T355 PolarHBondContact OG-OG1 3.03Å
350M97.4Very high97.9Very high115 Ų11545.5 Ų45.557%0.56724%0.237SC*.EExtended strand (participates in β ladder)trans-114.1103.7171.8-68.1-175.8-77.200107.6G352 F353 G354M350-G352 PolarHBondContact O-N 2.88Å; M350-F353 HydrophobicContact CB-CB 4.16Å; M350-F353 HydrophobicContact CE-CD1 3.76Å; M350-F353 HydrophobicContact CE-CE1 4.08Å; M350-F353 PolarHBondContact O-N 2.95Å; M350-G354 PolarHBondContact N-O 3.23Å; M350-G354 PolarHBondContact O-N 3.49Å; M350-G354 VanDerWaalsContact O-N 3.13Å
351E97Very high97.8Very high140 Ų14045.6 Ų45.665%0.65424%0.237SC*.THydrogen-bonded Turntrans-56129.8178.4-174.9177.4-170.500110.6P296P296-E351 WeakPolarHBondContact CA-OE2 3.49Å; P296-E351 WeakPolarHBondContact CB-OE2 3.39Å; P296-E351 HydrophobicContact CG-CG 4.41Å; P296-E351 WeakPolarHBondContact CG-OE1 3.26Å
352G95.3Very high97.8Very high70 Ų7048.1 Ų48.172%0.72225%0.248SC*.THydrogen-bonded Turntrans88.9-6.2-172.700000115G293 M350G293-G352 CarbonylContact O-C 3.51Å; G293-G352 WeakPolarHBondContact O-CA 3.33Å; G293-G352 PolarHBondContact O-N 3.48Å; M350-G352 PolarHBondContact O-N 2.88Å
353F96.6Very high97.5Very high108 Ų10845.4 Ų45.447%0.47424%0.238SC..THydrogen-bonded Turntrans-125.5-64.9-178-176.4-101.4000113.6R291 G293 M350R291-F353 CarbonylContact C-O 3.6Å; R291-F353 VanDerWaalsContact C-O 3.31Å; R291-F353 WeakPolarHBondContact CA-O 3.45Å; R291-F353 HydrophobicContact CG-CZ 4.4Å; G293-F353 PolarHBondContact N-O 2.83Å; G293-F353 PolarHBondContact O-N 2.85Å; M350-F353 HydrophobicContact CB-CB 4.16Å; M350-F353 HydrophobicContact CE-CD1 3.76Å; M350-F353 HydrophobicContact CE-CE1 4.08Å; M350-F353 PolarHBondContact O-N 2.95Å
354G97.5Very high97.3Very high2 Ų248.4 Ų48.42%0.02125%0.252CS..EExtended strand (participates in β ladder)trans169.9-176.7-171.200000113.6S349 M350S349-G354 PolarHBondContact OG-O 3.35Å; M350-G354 PolarHBondContact N-O 3.23Å; M350-G354 PolarHBondContact O-N 3.49Å; M350-G354 VanDerWaalsContact O-N 3.13Å
355T98.5Very high97Very high19 Ų1948.2 Ų48.212%0.11725%0.253CS..EExtended strand (participates in β ladder)trans-129.7138-175-520000111.9S289 D290 V347 S349S289-T355 WeakPolarHBondContact CA-O 3.34Å; D290-T355 PolarHBondContact N-O 3.25Å; D290-T355 PolarHBondContact OD1-N 2.73Å; V347-T355 HydrophobicContact CG1-CG2 3.44Å; V347-T355 VanDerWaalsContact CG1-CG2 3.44Å; S349-T355 PolarHBondContact OG-OG1 3.03Å
356D98.6Very high96.8Very high44 Ų4451.4 Ų51.424%0.23527%0.273CS..EExtended strand (participates in β ladder)trans-107119.1169-81.38.7000108.9K287 V288 S289 V347 Y348K287-D356 HydrophobicContact CD-CB 4.35Å; K287-D356 WeakPolarHBondContact CD-OD2 3.47Å; K287-D356 HydrophobicContact CG-CB 4.49Å; K287-D356 IonicContact NZ-OD2 2.77Å; K287-D356 PolarHBondContact NZ-OD2 2.8Å; V288-D356 WeakPolarHBondContact O-CA 3.43Å; S289-D356 WeakPolarHBondContact CB-OD1 3.48Å; S289-D356 PolarHBondContact OG-OD1 3.25Å; S289-D356 PolarHBondContact OG-OD2 2.99Å; V347-D356 WeakPolarHBondContact CA-O 3.41Å; Y348-D356 PolarHBondContact N-O 3.31Å; Y348-D356 PolarHBondContact O-N 2.81Å
357A98.6Very high96.7Very high9 Ų951.2 Ų51.27%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-107.5127.517000000109.7L252 K287 V288 H346 V347L252-A357 HydrophobicContact CD1-CB 3.9Å; L252-A357 HydrophobicContact CD2-CB 3.68Å; L252-A357 HydrophobicContact CG-CB 4.36Å; K287-A357 CarbonylContact C-O 3.53Å; K287-A357 WeakPolarHBondContact CA-O 3.36Å; V288-A357 PolarHBondContact N-O 2.81Å; V288-A357 PolarHBondContact O-N 2.76Å; H346-A357 CarbonylContact O-C 3.47Å; H346-A357 WeakPolarHBondContact O-CA 3.42Å; V347-A357 HydrophobicContact CG2-CB 4.18Å
358V98.7Very high96.6Very high12 Ų1250.6 Ų50.67%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-120.3120.7-176-168.20000110.2I286 K287 L345 H346 Y348 Y360I286-V358 CarbonylContact O-C 3.54Å; I286-V358 WeakPolarHBondContact O-CA 3.24Å; K287-V358 HydrophobicContact CB-CG2 4.24Å; K287-V358 HydrophobicContact CD-CG2 4.12Å; K287-V358 HydrophobicContact CG-CG2 3.93Å; L345-V358 WeakPolarHBondContact CA-O 3.17Å; H346-V358 PolarHBondContact N-O 2.92Å; H346-V358 PolarHBondContact O-N 3.01Å; Y348-V358 HydrophobicContact CD2-CG2 4.34Å; Y348-V358 HydrophobicContact CE2-CG2 4.26Å; V358-Y360 HydrophobicContact CB-CE2 3.85Å; V358-Y360 HydrophobicContact CG1-CD2 4.04Å; V358-Y360 HydrophobicContact CG1-CE1 4.06Å; V358-Y360 HydrophobicContact CG1-CE2 3.45Å; V358-Y360 VanDerWaalsContact CG1-CE2 3.45Å; V358-Y360 VanDerWaalsContact CG1-CZ 3.47Å
359I98.8Very high96.7Very high0 Ų047.8 Ų47.80%026%0.263CS..EExtended strand (participates in β ladder)trans-94.1127.9169.4-56.9171.3000107.7M248 L249 L252 S285 I286 A338 L345 L361M248-I359 HydrophobicContact CB-CD1 3.73Å; M248-I359 HydrophobicContact CE-CD1 4.45Å; M248-I359 HydrophobicContact CE-CG2 3.97Å; M248-I359 HydrophobicContact SD-CD1 4.43Å; M248-I359 HydrophobicContact SD-CG2 4.13Å; L249-I359 HydrophobicContact CD2-CD1 3.95Å; L249-I359 HydrophobicContact CG-CD1 4.25Å; L252-I359 HydrophobicContact CD1-CD1 3.82Å; L252-I359 HydrophobicContact CD1-CG1 3.94Å; S285-I359 CarbonylContact C-O 3.5Å; S285-I359 VanDerWaalsContact CA-O 3.31Å; S285-I359 WeakPolarHBondContact CA-O 3.31Å; I286-I359 HydrophobicContact CB-CB 4.41Å; I286-I359 PolarHBondContact N-O 2.83Å; I286-I359 PolarHBondContact O-N 2.94Å; A338-I359 HydrophobicContact CB-CG2 4.39Å; L345-I359 HydrophobicContact CD1-CG1 4.17Å; L345-I359 HydrophobicContact CG-CG1 4.21Å; I359-L361 HydrophobicContact CG2-CD1 4.42Å; I359-L361 HydrophobicContact CG2-CD2 4.15Å; I359-L361 HydrophobicContact CG2-CG 3.98Å
360Y98.4Very high96.8Very high78 Ų7846.8 Ų46.831%0.30626%0.256SS..EExtended strand (participates in β ladder)trans-109130.9171-65.4-85.2000109.2S285 G343 D344 H346 V358S285-Y360 WeakPolarHBondContact OG-CD1 3.4Å; S285-Y360 WeakPolarHBondContact OG-CE1 3.43Å; G343-Y360 CarbonylContact C-O 3.09Å; G343-Y360 WeakPolarHBondContact CA-O 3.26Å; D344-Y360 PolarHBondContact N-O 2.95Å; D344-Y360 PolarHBondContact O-N 2.75Å; H346-Y360 AromaticContact CD2-CD2 3.82Å; H346-Y360 AromaticContact CD2-CE2 3.67Å; V358-Y360 HydrophobicContact CB-CE2 3.85Å; V358-Y360 HydrophobicContact CG1-CD2 4.04Å; V358-Y360 HydrophobicContact CG1-CE1 4.06Å; V358-Y360 HydrophobicContact CG1-CE2 3.45Å; V358-Y360 VanDerWaalsContact CG1-CE2 3.45Å; V358-Y360 VanDerWaalsContact CG1-CZ 3.47Å
361L98.1Very high96.8Very high1 Ų147 Ų471%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-131.1154.4176.4-62.9179.8000109.5I238 Y240 L245 M248 M284 I359I238-L361 HydrophobicContact CD1-CD1 4.29Å; Y240-L361 HydrophobicContact CD1-CD1 4.35Å; Y240-L361 HydrophobicContact CD2-CD1 4.27Å; Y240-L361 HydrophobicContact CE1-CD1 4Å; Y240-L361 HydrophobicContact CE1-CD2 4.44Å; Y240-L361 HydrophobicContact CE2-CD1 3.94Å; Y240-L361 HydrophobicContact CE2-CD2 3.81Å; Y240-L361 HydrophobicContact CE2-CG 4.33Å; Y240-L361 HydrophobicContact CG-CD1 4.5Å; Y240-L361 WeakPolarHBondContact OH-CD2 3.27Å; L245-L361 HydrophobicContact CD1-CD1 4.2Å; M248-L361 HydrophobicContact CE-CD2 4.36Å; M284-L361 HydrophobicContact CB-CB 4.5Å; M284-L361 HydrophobicContact CE-CB 4.31Å; M284-L361 HydrophobicContact CE-CD1 3.61Å; M284-L361 HydrophobicContact CE-CG 4.42Å; M284-L361 PolarHBondContact N-O 3.37Å; M284-L361 PolarHBondContact O-N 3.29Å; I359-L361 HydrophobicContact CG2-CD1 4.42Å; I359-L361 HydrophobicContact CG2-CD2 4.15Å; I359-L361 HydrophobicContact CG2-CG 3.98Å
362K96.6Very high96.9Very high54 Ų5441.8 Ų41.824%0.23523%0.227CC..EExtended strand (participates in β ladder)trans-74.9131.5172.8-65.2-64.4169.3-163.50110.5D283 Q342 L364 D367D283-K362 IonicContact OD1-NZ 3.45Å; D283-K362 PolarHBondContact OD1-NZ 3.08Å; Q342-K362 HydrophobicContact CB-CG 4.21Å; K362-L364 VanDerWaalsContact C-N 3.32Å; K362-D367 HydrophobicContact CB-CB 4.21Å; K362-D367 HydrophobicContact CD-CB 4.19Å; K362-D367 HydrophobicContact CG-CB 4.14Å
363A93.2Very high97Very high16 Ų1639 Ų3913%0.13220%0.196CC..SBendtrans-74.1-26.5178.500000112.1L279 E282L279-A363 HydrophobicContact CD1-CB 3.85Å; E282-A363 VanDerWaalsContact O-CB 3.27Å; E282-A363 WeakPolarHBondContact O-CB 3.35Å; E282-A363 PolarHBondContact O-N 3.48Å
364L93.1Very high97Very high73 Ų7335.9 Ų35.938%0.38219%0.186SC..SBendtrans-104.8130.9-178.5-57179.4000111K362 T366 D367 S368K362-L364 VanDerWaalsContact C-N 3.32Å; L364-T366 PolarHBondContact O-N 3.49Å; L364-D367 PolarHBondContact O-N 2.77Å; L364-D367 VanDerWaalsContact O-N 3.09Å; L364-S368 PolarHBondContact O-N 2.99Å; L364-S368 PolarHBondContact O-OG 2.82Å
365S92.8Very high97Very high30 Ų3037.9 Ų37.921%0.2119%0.193CC..THydrogen-bonded Turntrans-67-17.3-179.959.30000114.3K34 D367K34-S365 PolarHBondContact N-O 2.97Å; K34-S365 VanDerWaalsContact N-O 3.15Å; S365-D367 VanDerWaalsContact C-N 3.33Å
366T94.3Very high96.8Very high67 Ų6740.4 Ų40.441%0.41121%0.206SC..THydrogen-bonded Turntrans-68.4-33.7172.447.80000112.3K34 L364K34-T366 HydrophobicContact CD-CG2 3.63Å; L364-T366 PolarHBondContact O-N 3.49Å
367D95Very high96.5Very high67 Ų6746.6 Ų46.636%0.35823%0.231SC..THydrogen-bonded Turntrans-93.4-18.9-173.2-53.6-10.9000110.8K362 L364 S365 I369K362-D367 HydrophobicContact CB-CB 4.21Å; K362-D367 HydrophobicContact CD-CB 4.19Å; K362-D367 HydrophobicContact CG-CB 4.14Å; L364-D367 PolarHBondContact O-N 2.77Å; L364-D367 VanDerWaalsContact O-N 3.09Å; S365-D367 VanDerWaalsContact C-N 3.33Å; D367-I369 VanDerWaalsContact C-N 3.25Å; D367-I369 PolarHBondContact O-N 3.16Å
368S96.8Very high96.2Very high1 Ų150.4 Ų50.41%0.00725%0.253CS..  trans-7173.9170.6-60.50000111.5S32 M33 L364S32-S368 CarbonylContact C-O 3.6Å; S32-S368 VanDerWaalsContact CA-O 3.3Å; S32-S368 WeakPolarHBondContact CA-O 3.39Å; M33-S368 PolarHBondContact N-O 3.43Å; L364-S368 PolarHBondContact O-N 2.99Å; L364-S368 PolarHBondContact O-OG 2.82Å
369I98.1Very high96Very high72 Ų7249.9 Ų49.937%0.36925%0.25SC..BIsolated β-bridgetrans-98.9139.7178.9-57.2171.7000110.5P30 Q342 D367 R371P30-I369 HydrophobicContact CB-CG2 4.06Å; Q342-I369 HydrophobicContact CG-CB 4.38Å; Q342-I369 WeakPolarHBondContact CG-O 3.03Å; Q342-I369 PolarHBondContact NE2-O 3.02Å; D367-I369 VanDerWaalsContact C-N 3.25Å; D367-I369 PolarHBondContact O-N 3.16Å; I369-R371 PolarHBondContact O-N 3.39Å
370E98.5Very high95.7Very high4 Ų451.9 Ų51.92%0.01926%0.26CS..  trans-54.2129.4173.8-74.8-173.7107.200112.5P30 L31 F36 R60 Y340 F341 L372P30-E370 HydrophobicContact CB-CB 3.94Å; P30-E370 VanDerWaalsContact CB-O 3.3Å; P30-E370 WeakPolarHBondContact CB-O 3.33Å; L31-E370 PolarHBondContact N-OE2 2.78Å; L31-E370 VanDerWaalsContact O-CG 3.31Å; L31-E370 WeakPolarHBondContact O-CG 3.27Å; L31-E370 PolarHBondContact O-N 3.01Å; F36-E370 HydrophobicContact CE2-CG 4.39Å; R60-E370 IonicContact CZ-OE1 2.94Å; R60-E370 IonicContact CZ-OE2 2.75Å; R60-E370 IonicContact NH1-OE1 2.72Å; R60-E370 PolarHBondContact NH1-OE1 2.98Å; R60-E370 IonicContact NH1-OE2 2.87Å; R60-E370 IonicContact NH2-OE1 3.56Å; R60-E370 PolarHBondContact NH2-OE1 2.9Å; R60-E370 IonicContact NH2-OE2 3.76Å; R60-E370 PolarHBondContact NH2-OE2 3.27Å; Y340-E370 HydrophobicContact CE2-CB 4.05Å; Y340-E370 HydrophobicContact CE2-CG 3.68Å; Y340-E370 CarbonylContact O-C 3.58Å; Y340-E370 VanDerWaalsContact O-CA 3.28Å; Y340-E370 WeakPolarHBondContact O-CA 3.46Å; Y340-E370 VanDerWaalsContact OH-CD 3.28Å; Y340-E370 WeakPolarHBondContact OH-CG 3.49Å; Y340-E370 PolarHBondContact OH-OE1 3.34Å; F341-E370 HydrophobicContact CE1-CG 3.99Å; E370-L372 HydrophobicContact CB-CD1 4.43Å; E370-L372 HydrophobicContact CB-CD2 3.99Å; E370-L372 HydrophobicContact CB-CG 4.01Å
371R98.3Very high95.3Very high121 Ų12155 Ų5546%0.45728%0.275SS..  trans-95.4102.8169.6-172.9174.2-179.7159.93.2110M160 K339 Y340 I369M160-R371 WeakPolarHBondContact CG-O 3.26Å; M160-R371 VanDerWaalsContact SD-O 3.35Å; K339-R371 VanDerWaalsContact O-CB 3.3Å; K339-R371 WeakPolarHBondContact O-CB 3.29Å; K339-R371 WeakPolarHBondContact O-CD 3.43Å; Y340-R371 PolarHBondContact O-N 3.23Å; I369-R371 PolarHBondContact O-N 3.39Å
372L98.2Very high94.9Very high30 Ų3057.5 Ų57.516%0.15729%0.289CS..  trans-108.4140.8-173.5-56-178.9000112.9P28 P30 Y340 E370P28-L372 HydrophobicContact CB-CB 4.2Å; P28-L372 HydrophobicContact CB-CD1 3.68Å; P30-L372 HydrophobicContact CB-CD1 4.05Å; P30-L372 HydrophobicContact CB-CG 4.34Å; Y340-L372 HydrophobicContact CE2-CD2 4.18Å; E370-L372 HydrophobicContact CB-CD1 4.43Å; E370-L372 HydrophobicContact CB-CD2 3.99Å; E370-L372 HydrophobicContact CB-CG 4.01Å
373P97.6Very high94.5Very high12 Ų1255.9 Ų55.98%0.07828%0.282CS..  trans-72.1137.2168.731.6-34.3000110.5R157R157-P373 HydrophobicContact CB-CB 3.87Å; R157-P373 HydrophobicContact CB-CG 4.49Å; R157-P373 HydrophobicContact CG-CB 4.14Å; R157-P373 WeakPolarHBondContact O-CG 3.22Å
374V97.1Very high93.9Very high42 Ų4262 Ų6226%0.25531%0.305SS..  trans-119.3127.4175.4-173.90000109.9R157 N376R157-V374 VanDerWaalsContact NH2-C 3.3Å; R157-V374 PolarHBondContact NH2-O 2.88Å; V374-N376 PolarHBondContact O-N 3.03Å
375Y97Very high92.9Very high44 Ų4463 Ų6317%0.17331%0.309CS..  trans-80.9114.7173.1178.1-107.2000109.8N63 K66 E67 L70N63-Y375 WeakPolarHBondContact OD1-CB 3.3Å; N63-Y375 PolarHBondContact OD1-N 3.29Å; K66-Y375 HydrophobicContact CB-CD1 3.79Å; K66-Y375 HydrophobicContact CB-CD2 3.91Å; K66-Y375 HydrophobicContact CB-CE1 3.81Å; K66-Y375 HydrophobicContact CB-CE2 3.93Å; K66-Y375 HydrophobicContact CB-CG 3.82Å; K66-Y375 HydrophobicContact CD-CE1 4.34Å; K66-Y375 WeakPolarHBondContact CE-OH 3.25Å; K66-Y375 HydrophobicContact CG-CD1 3.96Å; K66-Y375 HydrophobicContact CG-CE1 3.91Å; K66-Y375 HydrophobicContact CG-CG 4.46Å; E67-Y375 HydrophobicContact CG-CD2 3.62Å; E67-Y375 HydrophobicContact CG-CE2 4.35Å; E67-Y375 HydrophobicContact CG-CG 4.46Å; L70-Y375 HydrophobicContact CD1-CE2 3.81Å
376N94.8Very high91.3Very high72 Ų7266.5 Ų66.539%0.38533%0.332SS..SBendtrans-153.5-174.417862.127.1000110.5V374 T378 A379 L380V374-N376 PolarHBondContact O-N 3.03Å; N376-T378 PolarHBondContact O-N 3.36Å; N376-T378 WeakPolarHBondContact OD1-CA 3.26Å; N376-T378 VanDerWaalsContact OD1-CB 3.29Å; N376-T378 WeakPolarHBondContact OD1-CB 3.41Å; N376-T378 PolarHBondContact OD1-N 2.9Å; N376-A379 PolarHBondContact O-N 2.97Å; N376-A379 PolarHBondContact OD1-N 3.27Å; N376-L380 PolarHBondContact O-N 2.85Å
377K93Very high89.8Confident174 Ų17470.5 Ų70.576%0.75735%0.346SS*.Hα-helixtrans-58-33.1177.9-70.1-174.8178.6178.50113K381K377-K381 WeakPolarHBondContact O-CG 3.38Å; K377-K381 PolarHBondContact O-N 3.07Å; K377-K381 VanDerWaalsContact O-N 3.1Å
378T93.1Very high88.5Confident88 Ų8874.5 Ų74.554%0.5436%0.363SS..Hα-helixtrans-70.2-45.7177.4-53.90000110.9N376 L380 K381 N382N376-T378 PolarHBondContact O-N 3.36Å; N376-T378 WeakPolarHBondContact OD1-CA 3.26Å; N376-T378 VanDerWaalsContact OD1-CB 3.29Å; N376-T378 WeakPolarHBondContact OD1-CB 3.41Å; N376-T378 PolarHBondContact OD1-N 2.9Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.11Å; T378-K381 WeakPolarHBondContact O-CB 3.46Å; T378-K381 PolarHBondContact O-N 2.97Å; T378-K381 VanDerWaalsContact O-N 3.12Å; T378-N382 PolarHBondContact O-N 2.99Å
379A92.6Very high87.4Confident1 Ų179 Ų791%0.00840%0.4CS..Hα-helixtrans-58.7-43.3174.100000111.4N376 K381 N382 Y383N376-A379 PolarHBondContact O-N 2.97Å; N376-A379 PolarHBondContact OD1-N 3.27Å; A379-K381 VanDerWaalsContact C-N 3.29Å; A379-K381 PolarHBondContact O-N 3.24Å; A379-N382 PolarHBondContact O-N 3.07Å; A379-Y383 WeakPolarHBondContact O-CD2 3.31Å
380L92.3Very high86.4Confident43 Ų4380.4 Ų80.423%0.22541%0.408CS..Hα-helixtrans-60.3-35.3176.2-177.666.3000113L70 N376 T378 Y383 K384L70-L380 HydrophobicContact CD1-CD1 3.57Å; L70-L380 HydrophobicContact CD2-CD1 3.78Å; L70-L380 HydrophobicContact CG-CD1 4.36Å; N376-L380 PolarHBondContact O-N 2.85Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.11Å; L380-Y383 PolarHBondContact O-N 3.32Å; L380-K384 HydrophobicContact CG-CD 4.36Å; L380-K384 WeakPolarHBondContact O-CG 3.39Å; L380-K384 PolarHBondContact O-N 3.22Å
381K90.6Very high85.7Confident142 Ų14286.8 Ų86.862%0.61744%0.443SS*.Hα-helixtrans-64-41.4177.3-77.1175.5179.7-1720111.6K377 T378 A379 Y383 K384 M385K377-K381 WeakPolarHBondContact O-CG 3.38Å; K377-K381 PolarHBondContact O-N 3.07Å; K377-K381 VanDerWaalsContact O-N 3.1Å; T378-K381 WeakPolarHBondContact O-CB 3.46Å; T378-K381 PolarHBondContact O-N 2.97Å; T378-K381 VanDerWaalsContact O-N 3.12Å; A379-K381 VanDerWaalsContact C-N 3.29Å; A379-K381 PolarHBondContact O-N 3.24Å; K381-Y383 PolarHBondContact O-N 2.57Å; K381-K384 PolarHBondContact O-N 2.94Å; K381-M385 WeakPolarHBondContact O-CG 3.13Å; K381-M385 PolarHBondContact O-N 3.43Å; K381-M385 VanDerWaalsContact O-N 3.12Å
382N89.8Confident85.2Confident55 Ų5590.4 Ų90.429%0.29446%0.456SS..Hα-helixtrans-59.4-32.9179.9-67.6-30.4000112.4N150 Y153 T378 A379N150-N382 PolarHBondContact OD1-O 3.31Å; Y153-N382 HydrophobicContact CD1-CB 4.13Å; Y153-N382 HydrophobicContact CD2-CB 4.33Å; Y153-N382 HydrophobicContact CE1-CB 3.76Å; Y153-N382 HydrophobicContact CE2-CB 3.96Å; Y153-N382 VanDerWaalsContact CE2-ND2 3.27Å; Y153-N382 WeakPolarHBondContact CE2-ND2 3.38Å; Y153-N382 HydrophobicContact CG-CB 4.4Å; Y153-N382 PolarHBondContact OH-ND2 2.77Å; T378-N382 PolarHBondContact O-N 2.99Å; A379-N382 PolarHBondContact O-N 3.07Å
383Y87.9Confident84.7Confident20 Ų2095.2 Ų95.28%0.07849%0.491CS..Hα-helixtrans-76.6-19.1174.6-69.6-73.3000114.7E67 L70 N150 Y153 F154 A379 L380 K381E67-Y383 HydrophobicContact CB-CE2 4.23Å; E67-Y383 HydrophobicContact CG-CE2 4.03Å; E67-Y383 PolarHBondContact OE2-OH 3.42Å; E67-Y383 VanDerWaalsContact OE2-OH 3.05Å; L70-Y383 HydrophobicContact CB-CD1 4.15Å; L70-Y383 HydrophobicContact CB-CD2 4.12Å; L70-Y383 HydrophobicContact CB-CE2 4.5Å; L70-Y383 HydrophobicContact CB-CG 3.94Å; L70-Y383 HydrophobicContact CD1-CD2 3.48Å; L70-Y383 VanDerWaalsContact CD1-CD2 3.48Å; L70-Y383 HydrophobicContact CD1-CE2 3.98Å; L70-Y383 HydrophobicContact CD1-CG 4.02Å; L70-Y383 HydrophobicContact CG-CD2 4.48Å; N150-Y383 PolarHBondContact ND2-O 2.77Å; Y153-Y383 HydrophobicContact CD1-CE1 4.04Å; Y153-Y383 AromaticContact CD1-CE2 3.99Å; Y153-Y383 HydrophobicContact CD1-CE2 3.99Å; Y153-Y383 AromaticContact CD1-CZ 3.65Å; Y153-Y383 HydrophobicContact CE1-CD2 4.27Å; Y153-Y383 HydrophobicContact CE1-CE1 4.48Å; Y153-Y383 AromaticContact CE1-CE2 3.6Å; Y153-Y383 HydrophobicContact CE1-CE2 3.6Å; Y153-Y383 AromaticContact CE1-CZ 3.71Å; F154-Y383 WeakPolarHBondContact CA-OH 3.29Å; F154-Y383 HydrophobicContact CB-CE1 3.99Å; F154-Y383 WeakPolarHBondContact CB-OH 3.15Å; A379-Y383 WeakPolarHBondContact O-CD2 3.31Å; L380-Y383 PolarHBondContact O-N 3.32Å; K381-Y383 PolarHBondContact O-N 2.57Å
384K81.8Confident84.1Confident144 Ų14499.7 Ų99.763%0.62652%0.518SS*.Hα-helixtrans-102-5-175.9-70.1-174.9177.1-172.10113.3L380 K381 C386L380-K384 HydrophobicContact CG-CD 4.36Å; L380-K384 WeakPolarHBondContact O-CG 3.39Å; L380-K384 PolarHBondContact O-N 3.22Å; K381-K384 PolarHBondContact O-N 2.94Å; K384-C386 PolarHBondContact O-N 3.25Å
385M72Confident83.6Confident93 Ų93103 Ų10346%0.45854%0.541SS..  trans-62.4121.3178.2-66.3-159.465.800109.1V146 K381 E388V146-M385 WeakPolarHBondContact CG1-O 3.27Å; K381-M385 WeakPolarHBondContact O-CG 3.13Å; K381-M385 PolarHBondContact O-N 3.43Å; K381-M385 VanDerWaalsContact O-N 3.12Å; M385-E388 WeakPolarHBondContact CE-OE1 3.1Å
386C59.4Low83.1Confident105 Ų105104.9 Ų104.971%0.70956%0.56SS**  trans-84.8165.6172-66.30000109.6K384 E388K384-C386 PolarHBondContact O-N 3.25Å; C386-E388 PolarHBondContact O-N 2.82Å
387Q62.6Low82.8Confident150 Ų150111.5 Ų111.570%0.70159%0.585SS**  trans-52.1110.9173.3-72.7-173.9-48.500109.9V146V146-Q387 HydrophobicContact CG2-CB 4.18Å; V146-Q387 HydrophobicContact CG2-CG 3.16Å
388E67.5Low82.5Confident152 Ų152111.1 Ų111.171%0.7159%0.586SS**PPolyproline II helixtrans-79145.7163.7-65.7-177.117700107.6M385 C386M385-E388 WeakPolarHBondContact CE-OE1 3.1Å; C386-E388 PolarHBondContact O-N 2.82Å
389A73.1Confident82.3Confident96 Ų96112.1 Ų112.179%0.79359%0.594SS**PPolyproline II helixtrans-60.2142.4170.200000108.4D391A389-D391 PolarHBondContact O-N 3.15Å
390D76.6Confident82Confident100 Ų100118.2 Ų118.254%0.53563%0.626SS.*PPolyproline II helixtrans-55129.7175.4-160.7-24.5000109.1W392 V394D390-W392 PolarHBondContact O-N 3.41Å; D390-W392 PolarHBondContact OD1-N 3.42Å; D390-W392 VanDerWaalsContact OD1-N 3.09Å; D390-V394 HydrophobicContact CB-CG2 3.94Å; D390-V394 VanDerWaalsContact OD2-CG2 3.23Å; D390-V394 WeakPolarHBondContact OD2-CG2 3.46Å
391D85.4Confident81.7Confident139 Ų139119.7 Ų119.774%0.74363%0.634SS**SBendtrans-79.3-2.2179.463.4-41.1000112A389A389-D391 PolarHBondContact O-N 3.15Å
392W87.8Confident81.4Confident196 Ų196119 Ų11974%0.74264%0.636SS**SBendtrans-121.8157.5174.1-60.482.2000112.3D390 V394D390-W392 PolarHBondContact O-N 3.41Å; D390-W392 PolarHBondContact OD1-N 3.42Å; D390-W392 VanDerWaalsContact OD1-N 3.09Å; W392-V394 PolarHBondContact O-N 2.99Å
393C87.7Confident81Confident131 Ų131126.4 Ų126.489%0.88566%0.66SS**PPolyproline II helixtrans-66.7120.2178.6-64.30000111.4
394V85.3Confident80.2Confident106 Ų106133.5 Ų133.564%0.64269%0.691SS**PPolyproline II helixtrans-86.9118.9168.4-175.50000108.9D390 W392D390-V394 HydrophobicContact CB-CG2 3.94Å; D390-V394 VanDerWaalsContact OD2-CG2 3.23Å; D390-V394 WeakPolarHBondContact OD2-CG2 3.46Å; W392-V394 PolarHBondContact O-N 2.99Å
395P85.5Confident79.2Confident113 Ų113135 Ų13573%0.73470%0.695SS**PPolyproline II helixtrans-65.8147.7179.927.1-33.9000111.6
396S86.4Confident78.6Confident82 Ų82139.7 Ų139.757%0.57371%0.712SS**PPolyproline II helixtrans-60.7139.3172.1179.20000110.5E398S396-E398 PolarHBondContact O-N 3.15Å; S396-E398 PolarHBondContact OG-N 3.38Å; S396-E398 VanDerWaalsContact OG-N 3.13Å; S396-E398 PolarHBondContact OG-O 2.85Å
397K87.6Confident78.4Confident211 Ų211141.1 Ų141.192%0.91772%0.717SS**SBendtrans-60.7-27.7170.6-69.2-175.7179.3178.40112P399K397-P399 WeakPolarHBondContact O-CD 3.36Å
398E88.3Confident77.8Confident166 Ų166141.9 Ų141.978%0.77675%0.75SS**SBendtrans-118.184.8175.4-66179.7-17600107.9S396S396-E398 PolarHBondContact O-N 3.15Å; S396-E398 PolarHBondContact OG-N 3.38Å; S396-E398 VanDerWaalsContact OG-N 3.13Å; S396-E398 PolarHBondContact OG-O 2.85Å
399P87.7Confident78.4Confident109 Ų109141.4 Ų141.471%0.70875%0.752SS**  trans-66137.4177.726-32.1000109.9K397 D401K397-P399 WeakPolarHBondContact O-CD 3.36Å; P399-D401 PolarHBondContact O-N 2.8Å
400L86.3Confident78.6Confident130 Ų130143.8 Ų143.868%0.68175%0.75SS**  trans-62.3127.4-179.3-112.1122.9000111.3L402 Y405L400-L402 PolarHBondContact O-N 3.06Å; L400-L402 VanDerWaalsContact O-N 3.08Å; L400-Y405 HydrophobicContact CD2-CE2 4.08Å
401D85.6Confident78.7Confident74 Ų74146.2 Ų146.240%0.39676%0.761SS.*  trans-78.691.3172.4-1778.8000110.6P399 R403 K404P399-D401 PolarHBondContact O-N 2.8Å; D401-R403 PolarHBondContact O-N 2.88Å; D401-R403 VanDerWaalsContact O-N 3.11Å; D401-R403 VanDerWaalsContact OD1-CB 3.24Å; D401-R403 WeakPolarHBondContact OD1-CB 3.43Å; D401-R403 WeakPolarHBondContact OD1-CG 3.12Å; D401-R403 PolarHBondContact OD1-N 3.21Å; D401-R403 VanDerWaalsContact OD1-N 3.07Å; D401-K404 PolarHBondContact O-N 2.9Å; D401-K404 WeakPolarHBondContact OD2-CE 3.41Å
402L84.4Confident78.4Confident126 Ų126146.6 Ų146.666%0.6676%0.763SS**THydrogen-bonded Turntrans-66.5-7179.6-61.6176.6000113.7L400L400-L402 PolarHBondContact O-N 3.06Å; L400-L402 VanDerWaalsContact O-N 3.08Å
403R82.6Confident77.8Confident211 Ų211143.6 Ų143.680%0.79676%0.764SS**THydrogen-bonded Turntrans-72.9-31.4178.5-58.3174.2-172.1175.13.8112.2D401 Y405D401-R403 PolarHBondContact O-N 2.88Å; D401-R403 VanDerWaalsContact O-N 3.11Å; D401-R403 VanDerWaalsContact OD1-CB 3.24Å; D401-R403 WeakPolarHBondContact OD1-CB 3.43Å; D401-R403 WeakPolarHBondContact OD1-CG 3.12Å; D401-R403 PolarHBondContact OD1-N 3.21Å; D401-R403 VanDerWaalsContact OD1-N 3.07Å; R403-Y405 PolarHBondContact O-N 3.08Å
404K70.6Confident77.1Confident169 Ų169144.4 Ų144.474%0.73576%0.756SS**THydrogen-bonded Turntrans-72.4-14.6-179.8-64.8-177.7-176.9178.50113.7D401D401-K404 PolarHBondContact O-N 2.9Å; D401-K404 WeakPolarHBondContact OD2-CE 3.41Å
405Y60Low76.5Confident177 Ų177147.1 Ų147.169%0.69476%0.764SS**THydrogen-bonded Turntrans-94.9-2.6-178.9-80.8-86.4000114.3L400 R403 V407L400-Y405 HydrophobicContact CD2-CE2 4.08Å; R403-Y405 PolarHBondContact O-N 3.08Å; Y405-V407 VanDerWaalsContact C-N 3.3Å; Y405-V407 PolarHBondContact O-N 2.94Å
406K59.3Low75.8Confident190 Ų190149.8 Ų149.883%0.82677%0.766SS**SBendtrans-84.77.6178-77.4-169.1174.9-174.10114.6
407V55.4Low75Confident135 Ų135155.4 Ų155.482%0.81878%0.782SS**  trans-127.739.2-174.4-1600000112.3Y405Y405-V407 VanDerWaalsContact C-N 3.3Å; Y405-V407 PolarHBondContact O-N 2.94Å
408A51.7Low73.8Confident167 Ų167150.4 Ų150.4100%1.3877%0.77SS**  trans-119.60170.800000110.6

Retrieved 408 of 408 residues in 673.6 ms (Link to these results)

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