A0A093HQ74_STRCA Loading...

Hemoglobin subunit pi

AlphaFold DB , UniProt , Accession A0A093HQ74, Species STRCA (Struthio camelus australis), Gene n/a, Length 142 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
1M62.3Low94.2Very high196 Ų19670 Ų7097%0.96641%0.405SS*.  0138.30-65.1179.8-17000107.5S132M1-S132 PolarHBondContact O-OG 3.29Å
2T89Confident94.6Very high124 Ų12471.1 Ų71.176%0.76141%0.407SS*.PPolyproline II helixtrans-85.8139.3-178-45.50000110.7K128T2-K128 WeakPolarHBondContact O-CE 3.47Å; T2-K128 PolarHBondContact O-NZ 3.3Å
3L97Very high94.8Very high14 Ų1472.4 Ų72.47%0.07342%0.417CS..PPolyproline II helixtrans-73.9135.8173.6-67.1162.2000110.4E7 K8 I74 K128 F129L3-E7 WeakPolarHBondContact CA-OE2 3.45Å; L3-E7 HydrophobicContact CB-CB 4.37Å; L3-E7 HydrophobicContact CD2-CB 3.91Å; L3-K8 HydrophobicContact CB-CG 3.79Å; L3-K8 HydrophobicContact CD1-CG 4.46Å; L3-K8 WeakPolarHBondContact O-CE 3.31Å; L3-I74 HydrophobicContact CD1-CD1 4.02Å; L3-I74 HydrophobicContact CD1-CG1 3.91Å; L3-K128 HydrophobicContact CD2-CB 4.11Å; L3-K128 HydrophobicContact CD2-CD 3.98Å; L3-K128 HydrophobicContact CD2-CG 3.9Å; L3-F129 HydrophobicContact CD1-CB 4.06Å; L3-F129 HydrophobicContact CD1-CD2 3.91Å; L3-F129 HydrophobicContact CD1-CG 4.48Å; L3-F129 HydrophobicContact CD2-CB 4.27Å
4T98.3Very high95.1Very high73 Ų7367.4 Ų67.445%0.44839%0.388SS..PPolyproline II helixtrans-73166.5169.670.60000110.6A6 E7 K8T4-A6 VanDerWaalsContact C-N 3.29Å; T4-A6 PolarHBondContact O-N 3.01Å; T4-E7 PolarHBondContact N-OE2 3.45Å; T4-E7 PolarHBondContact O-N 3.26Å; T4-E7 WeakPolarHBondContact OG1-CG 3.3Å; T4-E7 PolarHBondContact OG1-N 3.26Å; T4-E7 PolarHBondContact OG1-OE2 2.96Å; T4-K8 WeakPolarHBondContact O-CG 3.46Å; T4-K8 PolarHBondContact O-N 2.79Å
5Q98.1Very high95.3Very high145 Ų14565.3 Ų65.368%0.67837%0.371SS*.Hα-helixtrans-60.8-38.8177.3-170.16031.300112.6K8 A9Q5-K8 PolarHBondContact O-N 3.18Å; Q5-A9 WeakPolarHBondContact O-CB 3.49Å; Q5-A9 PolarHBondContact O-N 3.08Å
6A98.3Very high95.5Very high76 Ų7665.8 Ų65.863%0.62838%0.38SS*.Hα-helixtrans-66.4-42.6177.500000111.6T4 A9 A10T4-A6 VanDerWaalsContact C-N 3.29Å; T4-A6 PolarHBondContact O-N 3.01Å; A6-A9 PolarHBondContact O-N 3.31Å; A6-A10 WeakPolarHBondContact O-CB 3.28Å; A6-A10 PolarHBondContact O-N 3.14Å
7E98.6Very high95.6Very high41 Ų4166.8 Ų66.819%0.19238%0.379CS..Hα-helixtrans-63.5-43.7176-69.7167.715100111L3 T4 A9 A10 V11 A125 K128L3-E7 WeakPolarHBondContact CA-OE2 3.45Å; L3-E7 HydrophobicContact CB-CB 4.37Å; L3-E7 HydrophobicContact CD2-CB 3.91Å; T4-E7 PolarHBondContact N-OE2 3.45Å; T4-E7 PolarHBondContact O-N 3.26Å; T4-E7 WeakPolarHBondContact OG1-CG 3.3Å; T4-E7 PolarHBondContact OG1-N 3.26Å; T4-E7 PolarHBondContact OG1-OE2 2.96Å; E7-A9 VanDerWaalsContact C-N 3.34Å; E7-A9 PolarHBondContact O-N 3.32Å; E7-A10 PolarHBondContact O-N 3.08Å; E7-V11 VanDerWaalsContact O-CG2 3.26Å; E7-V11 WeakPolarHBondContact O-CG2 3.32Å; E7-V11 PolarHBondContact O-N 3.01Å; E7-A125 HydrophobicContact CB-CB 3.88Å; E7-A125 HydrophobicContact CG-CB 3.98Å; E7-K128 VanDerWaalsContact CD-NZ 3.26Å; E7-K128 VanDerWaalsContact OE1-CD 3.25Å; E7-K128 WeakPolarHBondContact OE1-CD 2.99Å; E7-K128 IonicContact OE1-NZ 3.1Å; E7-K128 PolarHBondContact OE1-NZ 2.9Å; E7-K128 IonicContact OE2-NZ 2.61Å; E7-K128 PolarHBondContact OE2-NZ 3.46Å
8K98.7Very high95.8Very high32 Ų3263.1 Ų63.114%0.13936%0.358CS..Hα-helixtrans-58.3-46.1175.2-69175.1-173.3176.30111.8L3 T4 Q5 A10 V11 I12 I74 D75L3-K8 HydrophobicContact CB-CG 3.79Å; L3-K8 HydrophobicContact CD1-CG 4.46Å; L3-K8 WeakPolarHBondContact O-CE 3.31Å; T4-K8 WeakPolarHBondContact O-CG 3.46Å; T4-K8 PolarHBondContact O-N 2.79Å; Q5-K8 PolarHBondContact O-N 3.18Å; K8-A10 VanDerWaalsContact C-N 3.34Å; K8-A10 PolarHBondContact O-N 3.17Å; K8-V11 PolarHBondContact O-N 3.13Å; K8-I12 VanDerWaalsContact O-CG1 3.3Å; K8-I12 WeakPolarHBondContact O-CG1 3.49Å; K8-I12 PolarHBondContact O-N 2.66Å; K8-I74 HydrophobicContact CB-CD1 4Å; K8-I74 HydrophobicContact CD-CG2 4.23Å; K8-I74 HydrophobicContact CG-CD1 3.9Å; K8-I74 HydrophobicContact CG-CG1 4.14Å; K8-I74 HydrophobicContact CG-CG2 4.32Å; K8-D75 WeakPolarHBondContact CE-OD1 3.4Å; K8-D75 IonicContact NZ-OD1 2.81Å; K8-D75 PolarHBondContact NZ-OD1 3Å
9A98.6Very high95.9Very high46 Ų4662.3 Ų62.338%0.3836%0.36SS..Hα-helixtrans-61.8-41.5177.500000111.9Q5 A6 E7 I12 T13Q5-A9 WeakPolarHBondContact O-CB 3.49Å; Q5-A9 PolarHBondContact O-N 3.08Å; A6-A9 PolarHBondContact O-N 3.31Å; E7-A9 VanDerWaalsContact C-N 3.34Å; E7-A9 PolarHBondContact O-N 3.32Å; A9-I12 PolarHBondContact O-N 3.04Å; A9-T13 VanDerWaalsContact O-CB 3.32Å; A9-T13 WeakPolarHBondContact O-CB 3.45Å; A9-T13 PolarHBondContact O-N 3.45Å; A9-T13 PolarHBondContact O-OG1 2.72Å
10A98.6Very high96Very high23 Ų2364.6 Ų64.619%0.1938%0.375CS..Hα-helixtrans-62.1-45.3175.800000111.8A6 E7 K8 T13 I14 V122 A125A6-A10 WeakPolarHBondContact O-CB 3.28Å; A6-A10 PolarHBondContact O-N 3.14Å; E7-A10 PolarHBondContact O-N 3.08Å; K8-A10 VanDerWaalsContact C-N 3.34Å; K8-A10 PolarHBondContact O-N 3.17Å; A10-T13 PolarHBondContact O-N 3.29Å; A10-I14 WeakPolarHBondContact O-CG2 3.4Å; A10-I14 PolarHBondContact O-N 3.22Å; A10-V122 HydrophobicContact CB-CG2 4.42Å; A10-A125 HydrophobicContact CB-CB 3.95Å
11V98.7Very high96Very high0 Ų065.5 Ų65.50%038%0.376CS..Hα-helixtrans-59.7-48.4176.4170.50000111.4E7 K8 T13 I14 W15 V71 I74 A125 F129E7-V11 VanDerWaalsContact O-CG2 3.26Å; E7-V11 WeakPolarHBondContact O-CG2 3.32Å; E7-V11 PolarHBondContact O-N 3.01Å; K8-V11 PolarHBondContact O-N 3.13Å; V11-T13 VanDerWaalsContact C-N 3.31Å; V11-T13 PolarHBondContact O-N 2.92Å; V11-I14 WeakPolarHBondContact O-CG2 3.26Å; V11-W15 WeakPolarHBondContact O-CB 3.46Å; V11-W15 PolarHBondContact O-N 3.45Å; V11-V71 HydrophobicContact CG1-CG1 4.43Å; V11-V71 HydrophobicContact CG1-CG2 3.91Å; V11-I74 HydrophobicContact CB-CD1 4.03Å; V11-I74 HydrophobicContact CG1-CD1 3.82Å; V11-A125 HydrophobicContact CG2-CB 4.25Å; V11-F129 HydrophobicContact CG1-CB 4.38Å; V11-F129 HydrophobicContact CG1-CD1 3.96Å; V11-F129 HydrophobicContact CG1-CD2 4.09Å; V11-F129 HydrophobicContact CG1-CE1 4.23Å; V11-F129 HydrophobicContact CG1-CE2 4.37Å; V11-F129 HydrophobicContact CG1-CG 3.87Å; V11-F129 HydrophobicContact CG1-CZ 4.44Å; V11-F129 HydrophobicContact CG2-CB 3.78Å; V11-F129 HydrophobicContact CG2-CG 4.2Å
12I98.6Very high97.7Very high83 Ų8356.6 Ų56.643%0.42633%0.334SS..Hα-helixtrans-62.5-41.5178.6-68.4164.5000110.7K8 A9 W15 S16 V71K8-I12 VanDerWaalsContact O-CG1 3.3Å; K8-I12 WeakPolarHBondContact O-CG1 3.49Å; K8-I12 PolarHBondContact O-N 2.66Å; A9-I12 PolarHBondContact O-N 3.04Å; I12-W15 PolarHBondContact O-N 3.46Å; I12-S16 PolarHBondContact O-N 3.33Å; I12-V71 HydrophobicContact CG1-CG1 3.93Å
13T98.3Very high98Very high88 Ų8854.5 Ų54.554%0.5432%0.317SS..Hα-helixtrans-63.5-52.1-178.7-59.90000111.4A9 A10 V11 W15 S16A9-T13 VanDerWaalsContact O-CB 3.32Å; A9-T13 WeakPolarHBondContact O-CB 3.45Å; A9-T13 PolarHBondContact O-N 3.45Å; A9-T13 PolarHBondContact O-OG1 2.72Å; A10-T13 PolarHBondContact O-N 3.29Å; V11-T13 VanDerWaalsContact C-N 3.31Å; V11-T13 PolarHBondContact O-N 2.92Å; T13-W15 VanDerWaalsContact C-N 3.32Å; T13-W15 PolarHBondContact O-N 3.41Å; T13-S16 PolarHBondContact O-N 3.07Å; T13-S16 PolarHBondContact O-OG 2.69Å
14I98.3Very high98Very high3 Ų356 Ų562%0.01533%0.332CS..Hα-helixtrans-66.6-36.7178.2-168.562.7000111.3A10 V11 S16 K17 V18 V110 Y114 E117 V122 W126A10-I14 WeakPolarHBondContact O-CG2 3.4Å; A10-I14 PolarHBondContact O-N 3.22Å; V11-I14 WeakPolarHBondContact O-CG2 3.26Å; I14-S16 VanDerWaalsContact C-N 3.28Å; I14-S16 PolarHBondContact O-N 2.67Å; I14-K17 PolarHBondContact O-N 3.15Å; I14-K17 VanDerWaalsContact O-N 3.13Å; I14-V18 HydrophobicContact CG1-CG2 4.23Å; I14-V18 VanDerWaalsContact O-CG2 3.28Å; I14-V18 WeakPolarHBondContact O-CG2 3.36Å; I14-V18 PolarHBondContact O-N 2.94Å; I14-V18 VanDerWaalsContact O-N 3.08Å; I14-V110 HydrophobicContact CD1-CG1 4.49Å; I14-V110 HydrophobicContact CG1-CG1 4.26Å; I14-Y114 HydrophobicContact CD1-CG 4.48Å; I14-E117 HydrophobicContact CD1-CB 3.83Å; I14-V122 HydrophobicContact CB-CG1 3.84Å; I14-V122 HydrophobicContact CG1-CG1 4.05Å; I14-V122 HydrophobicContact CG2-CG1 3.94Å; I14-W126 HydrophobicContact CG1-CH2 4.37Å; I14-W126 HydrophobicContact CG2-CD2 3.94Å; I14-W126 HydrophobicContact CG2-CG 4.25Å; I14-W126 HydrophobicContact CG2-CZ2 3.99Å
15W98.7Very high97.9Very high36 Ų3652.5 Ų52.514%0.13631%0.31CS..Hα-helixtrans-57.8-39.4176.4178.8-107.3000112.4V11 I12 T13 K17 V18 A19 M64 I67 G68 V71 W126V11-W15 WeakPolarHBondContact O-CB 3.46Å; V11-W15 PolarHBondContact O-N 3.45Å; I12-W15 PolarHBondContact O-N 3.46Å; T13-W15 VanDerWaalsContact C-N 3.32Å; T13-W15 PolarHBondContact O-N 3.41Å; W15-K17 PolarHBondContact O-N 3.33Å; W15-K17 VanDerWaalsContact O-N 3.17Å; W15-V18 HydrophobicContact CE3-CB 4.17Å; W15-V18 HydrophobicContact CE3-CG1 3.85Å; W15-V18 HydrophobicContact CH2-CG1 4.48Å; W15-V18 HydrophobicContact CZ3-CB 4.46Å; W15-V18 HydrophobicContact CZ3-CG1 3.68Å; W15-V18 PolarHBondContact O-N 3.43Å; W15-V18 VanDerWaalsContact O-N 3.14Å; W15-A19 HydrophobicContact CZ2-CB 4.23Å; W15-A19 VanDerWaalsContact O-CB 3.31Å; W15-A19 WeakPolarHBondContact O-CB 3.1Å; W15-A19 PolarHBondContact O-N 2.82Å; W15-M64 HydrophobicContact CH2-CE 4.24Å; W15-M64 WeakPolarHBondContact CH2-O 3.21Å; W15-M64 HydrophobicContact CZ3-CE 3.75Å; W15-I67 HydrophobicContact CE3-CG2 4.14Å; W15-I67 HydrophobicContact CH2-CB 4.49Å; W15-I67 HydrophobicContact CH2-CG2 4.34Å; W15-I67 HydrophobicContact CZ3-CB 4.27Å; W15-I67 HydrophobicContact CZ3-CG2 3.69Å; W15-G68 VanDerWaalsContact CE2-CA 3.45Å; W15-V71 HydrophobicContact CB-CG1 3.93Å; W15-V71 HydrophobicContact CB-CG2 4.12Å; W15-V71 HydrophobicContact CD2-CB 4.4Å; W15-V71 HydrophobicContact CD2-CG2 3.98Å; W15-V71 HydrophobicContact CE3-CG2 4.29Å; W15-V71 HydrophobicContact CG-CB 4.03Å; W15-V71 HydrophobicContact CG-CG1 3.78Å; W15-V71 HydrophobicContact CG-CG2 3.84Å; W15-W126 HydrophobicContact CE3-CZ2 4.49Å
16S98.2Very high98Very high73 Ų7345.7 Ų45.751%0.5128%0.279SS..Hα-helixtrans-56.9-33178.974.50000113.4I12 T13 I14I12-S16 PolarHBondContact O-N 3.33Å; T13-S16 PolarHBondContact O-N 3.07Å; T13-S16 PolarHBondContact O-OG 2.69Å; I14-S16 VanDerWaalsContact C-N 3.28Å; I14-S16 PolarHBondContact O-N 2.67Å
17K97.9Very high97.9Very high82 Ų8242.7 Ų42.736%0.35725%0.254SS..Hα-helixtrans-78.6-49.2174.6-67.9174.5175-1010110.6I14 W15 A19 T20 Y114 E117I14-K17 PolarHBondContact O-N 3.15Å; I14-K17 VanDerWaalsContact O-N 3.13Å; W15-K17 PolarHBondContact O-N 3.33Å; W15-K17 VanDerWaalsContact O-N 3.17Å; K17-A19 VanDerWaalsContact C-N 3.26Å; K17-A19 PolarHBondContact O-N 3.18Å; K17-T20 WeakPolarHBondContact O-CB 3.19Å; K17-T20 PolarHBondContact O-N 3.47Å; K17-T20 VanDerWaalsContact O-N 3.08Å; K17-T20 PolarHBondContact O-OG1 2.91Å; K17-Y114 HydrophobicContact CB-CD1 4.24Å; K17-Y114 HydrophobicContact CB-CE1 3.83Å; K17-Y114 HydrophobicContact CD-CD1 4.42Å; K17-Y114 PolarHBondContact O-OH 3.24Å; K17-Y114 VanDerWaalsContact O-OH 3.07Å; K17-E117 HydrophobicContact CD-CB 4.43Å; K17-E117 HydrophobicContact CD-CG 3.8Å; K17-E117 WeakPolarHBondContact CE-OE1 3.4Å; K17-E117 IonicContact NZ-OE1 2.63Å; K17-E117 PolarHBondContact NZ-OE1 3.19Å
18V98.3Very high97.9Very high0 Ų042.1 Ų42.10%025%0.252CS..Hα-helixtrans-55.4-40.6179.7171.60000111.9I14 W15 T20 Q21 A22 I25 M64 V110 Y114 W126I14-V18 HydrophobicContact CG1-CG2 4.23Å; I14-V18 VanDerWaalsContact O-CG2 3.28Å; I14-V18 WeakPolarHBondContact O-CG2 3.36Å; I14-V18 PolarHBondContact O-N 2.94Å; I14-V18 VanDerWaalsContact O-N 3.08Å; W15-V18 HydrophobicContact CE3-CB 4.17Å; W15-V18 HydrophobicContact CE3-CG1 3.85Å; W15-V18 HydrophobicContact CH2-CG1 4.48Å; W15-V18 HydrophobicContact CZ3-CB 4.46Å; W15-V18 HydrophobicContact CZ3-CG1 3.68Å; W15-V18 PolarHBondContact O-N 3.43Å; W15-V18 VanDerWaalsContact O-N 3.14Å; V18-T20 PolarHBondContact O-N 3.17Å; V18-Q21 CarbonylContact O-C 3.31Å; V18-Q21 VanDerWaalsContact O-C 3.31Å; V18-Q21 PolarHBondContact O-N 3.47Å; V18-A22 PolarHBondContact O-N 2.94Å; V18-I25 HydrophobicContact CB-CD1 4.3Å; V18-I25 HydrophobicContact CG1-CD1 3.85Å; V18-I25 HydrophobicContact CG2-CD1 4.43Å; V18-M64 HydrophobicContact CG1-CE 3.69Å; V18-V110 HydrophobicContact CG2-CG1 3.75Å; V18-V110 HydrophobicContact CG2-CG2 4.25Å; V18-Y114 HydrophobicContact CG2-CD2 4.36Å; V18-Y114 HydrophobicContact CG2-CE2 3.9Å; V18-W126 HydrophobicContact CB-CH2 4.44Å; V18-W126 HydrophobicContact CB-CZ2 4.46Å; V18-W126 HydrophobicContact CG1-CH2 4.35Å; V18-W126 HydrophobicContact CG1-CZ2 4.41Å; V18-W126 HydrophobicContact CG2-CH2 3.5Å; V18-W126 VanDerWaalsContact CG2-CH2 3.5Å; V18-W126 HydrophobicContact CG2-CZ2 3.83Å
19A97.9Very high97.9Very high48 Ų4840.7 Ų40.740%0.39725%0.246SC..G310 helixtrans-56.9-31.8179.700000113W15 K17 Q21W15-A19 HydrophobicContact CZ2-CB 4.23Å; W15-A19 VanDerWaalsContact O-CB 3.31Å; W15-A19 WeakPolarHBondContact O-CB 3.1Å; W15-A19 PolarHBondContact O-N 2.82Å; K17-A19 VanDerWaalsContact C-N 3.26Å; K17-A19 PolarHBondContact O-N 3.18Å; A19-Q21 PolarHBondContact O-N 3.02Å
20T97.6Very high97.9Very high109 Ų10938.7 Ų38.767%0.66923%0.229SC*.G310 helixtrans-68.8-17.1177.970.40000113.5K17 V18K17-T20 WeakPolarHBondContact O-CB 3.19Å; K17-T20 PolarHBondContact O-N 3.47Å; K17-T20 VanDerWaalsContact O-N 3.08Å; K17-T20 PolarHBondContact O-OG1 2.91Å; V18-T20 PolarHBondContact O-N 3.17Å
21Q96.9Very high97.9Very high84 Ų8440 Ų4039%0.39323%0.231SC..G310 helixtrans-133.225-179.8-59.9-168.4-0.900112.2V18 A19 D23 A24 I25V18-Q21 CarbonylContact O-C 3.31Å; V18-Q21 VanDerWaalsContact O-C 3.31Å; V18-Q21 PolarHBondContact O-N 3.47Å; A19-Q21 PolarHBondContact O-N 3.02Å; Q21-D23 VanDerWaalsContact C-N 3.3Å; Q21-D23 PolarHBondContact O-N 3.4Å; Q21-A24 PolarHBondContact O-N 2.89Å; Q21-A24 VanDerWaalsContact O-N 3.13Å; Q21-I25 HydrophobicContact CB-CD1 4.06Å; Q21-I25 HydrophobicContact CB-CG1 4.37Å; Q21-I25 WeakPolarHBondContact O-CG1 3.47Å; Q21-I25 PolarHBondContact O-N 3.16Å
22A97.3Very high97.8Very high9 Ų944.3 Ų44.37%0.07425%0.247CC..Hα-helixtrans-54.8-44.6-171.700000112.2V18 A24 I25 G26 M64V18-A22 PolarHBondContact O-N 2.94Å; A22-A24 PolarHBondContact O-N 3.2Å; A22-I25 PolarHBondContact O-N 3.32Å; A22-G26 PolarHBondContact O-N 3.47Å; A22-M64 HydrophobicContact CB-CB 4Å; A22-M64 WeakPolarHBondContact O-CG 3.44Å
23D95.5Very high97.8Very high79 Ų7940.8 Ų40.842%0.42223%0.229SC..Hα-helixtrans-61.1-44.6-179.9-70.6-4.7000112.7Q21 A27 S61Q21-D23 VanDerWaalsContact C-N 3.3Å; Q21-D23 PolarHBondContact O-N 3.4Å; D23-A27 WeakPolarHBondContact O-CB 3.34Å; D23-A27 PolarHBondContact O-N 3.38Å; D23-A27 VanDerWaalsContact O-N 3.07Å; D23-S61 WeakPolarHBondContact OD1-CB 3.34Å; D23-S61 PolarHBondContact OD1-OG 2.73Å
24A95.8Very high97.9Very high45 Ų4536.8 Ų36.837%0.37220%0.204SC..Hα-helixtrans-69.4-40.9-18000000111.7Q21 A22 E28Q21-A24 PolarHBondContact O-N 2.89Å; Q21-A24 VanDerWaalsContact O-N 3.13Å; A22-A24 PolarHBondContact O-N 3.2Å; A24-E28 WeakPolarHBondContact O-CB 3.43Å; A24-E28 PolarHBondContact O-N 2.9Å
25I98.1Very high97.8Very high0 Ų041 Ų410%023%0.234CC..Hα-helixtrans-65.5-41.6177.1-70.5168.9000110.8V18 Q21 A22 E28 S29 M64 V110 R113 Y114V18-I25 HydrophobicContact CB-CD1 4.3Å; V18-I25 HydrophobicContact CG1-CD1 3.85Å; V18-I25 HydrophobicContact CG2-CD1 4.43Å; Q21-I25 HydrophobicContact CB-CD1 4.06Å; Q21-I25 HydrophobicContact CB-CG1 4.37Å; Q21-I25 WeakPolarHBondContact O-CG1 3.47Å; Q21-I25 PolarHBondContact O-N 3.16Å; A22-I25 PolarHBondContact O-N 3.32Å; I25-E28 PolarHBondContact O-N 2.61Å; I25-S29 VanDerWaalsContact O-CB 3.31Å; I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 3.35Å; I25-S29 PolarHBondContact O-OG 3.09Å; I25-M64 HydrophobicContact CG2-CE 3.85Å; I25-M64 HydrophobicContact CG2-SD 4.32Å; I25-V110 HydrophobicContact CG2-CG2 3.85Å; I25-R113 VanDerWaalsContact CG1-CD 3.44Å; I25-Y114 HydrophobicContact CD1-CE2 3.89Å
26G98.4Very high97.8Very high2 Ų243.1 Ų43.12%0.02125%0.254CS..Hα-helixtrans-63.2-45.9177.900000112.2A22 S29 L30A22-G26 PolarHBondContact O-N 3.47Å; G26-S29 PolarHBondContact O-N 3.02Å; G26-L30 WeakPolarHBondContact O-CG 3.32Å; G26-L30 PolarHBondContact O-N 2.95Å; G26-L30 VanDerWaalsContact O-N 3.15Å
27A97.6Very high97.8Very high13 Ų1342.5 Ų42.511%0.10724%0.241CC..Hα-helixtrans-60.9-49.9175.900000111.6D23 S29 L30 E31 R57D23-A27 WeakPolarHBondContact O-CB 3.34Å; D23-A27 PolarHBondContact O-N 3.38Å; D23-A27 VanDerWaalsContact O-N 3.07Å; A27-S29 VanDerWaalsContact C-N 3.31Å; A27-S29 PolarHBondContact O-N 3.32Å; A27-L30 PolarHBondContact O-N 3.27Å; A27-E31 WeakPolarHBondContact O-CG 3.4Å; A27-E31 PolarHBondContact O-N 3.13Å; A27-R57 HydrophobicContact CB-CB 4.47Å
28E97.8Very high97.8Very high29 Ų2942.1 Ų42.114%0.13625%0.247CC..Hα-helixtrans-59-41.6178-174.7-167.316200112A24 I25 L30 E31 R32 R113A24-E28 WeakPolarHBondContact O-CB 3.43Å; A24-E28 PolarHBondContact O-N 2.9Å; I25-E28 PolarHBondContact O-N 2.61Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 PolarHBondContact O-N 3.37Å; E28-E31 PolarHBondContact O-N 3.24Å; E28-R32 WeakPolarHBondContact O-CB 3.14Å; E28-R32 WeakPolarHBondContact O-CG 3.4Å; E28-R32 PolarHBondContact O-N 2.62Å; E28-R32 IonicContact OE1-CZ 3.2Å; E28-R32 IonicContact OE1-NE 2.84Å; E28-R32 PolarHBondContact OE1-NE 3.22Å; E28-R32 IonicContact OE1-NH2 2.7Å; E28-R32 PolarHBondContact OE1-NH2 2.87Å; E28-R113 IonicContact OE2-CZ 3.83Å; E28-R113 IonicContact OE2-NE 2.94Å; E28-R113 PolarHBondContact OE2-NE 3.24Å; E28-R113 IonicContact OE2-NH2 2.74Å; E28-R113 PolarHBondContact OE2-NH2 3.16Å
29S98.6Very high97.8Very high2 Ų246.9 Ų46.91%0.01427%0.269CS..Hα-helixtrans-62.4-39.1179.2-59.70000111.7I25 G26 A27 L33 C105 I106 S109I25-S29 VanDerWaalsContact O-CB 3.31Å; I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 3.35Å; I25-S29 PolarHBondContact O-OG 3.09Å; G26-S29 PolarHBondContact O-N 3.02Å; A27-S29 VanDerWaalsContact C-N 3.31Å; A27-S29 PolarHBondContact O-N 3.32Å; S29-L33 WeakPolarHBondContact O-CB 3.2Å; S29-L33 PolarHBondContact O-N 2.96Å; S29-C105 WeakPolarHBondContact O-CB 3.26Å; S29-I106 WeakPolarHBondContact OG-CA 3.48Å; S29-S109 WeakPolarHBondContact CA-OG 3.37Å; S29-S109 PolarHBondContact N-OG 3.47Å; S29-S109 WeakPolarHBondContact OG-CB 3.25Å; S29-S109 PolarHBondContact OG-OG 3.45Å; S29-S109 VanDerWaalsContact OG-OG 3.08Å
30L98.6Very high97.9Very high4 Ų444.8 Ų44.82%0.02125%0.251CS..Hα-helixtrans-71.1-41.7175.2-69.7174.4000112G26 A27 E28 R32 L33 F34 L56 H59 L102G26-L30 WeakPolarHBondContact O-CG 3.32Å; G26-L30 PolarHBondContact O-N 2.95Å; G26-L30 VanDerWaalsContact O-N 3.15Å; A27-L30 PolarHBondContact O-N 3.27Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 PolarHBondContact O-N 3.37Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.37Å; L30-L33 HydrophobicContact CD2-CD2 4.37Å; L30-L33 WeakPolarHBondContact O-CB 3.32Å; L30-L33 PolarHBondContact O-N 3.43Å; L30-F34 HydrophobicContact CB-CD2 4.36Å; L30-F34 HydrophobicContact CB-CE2 3.97Å; L30-F34 HydrophobicContact CD2-CE2 4.37Å; L30-F34 HydrophobicContact CD2-CZ 4.44Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 WeakPolarHBondContact O-CG 3.5Å; L30-F34 PolarHBondContact O-N 2.94Å; L30-L56 HydrophobicContact CB-CD2 4.45Å; L30-H59 HydrophobicContact CD1-CB 4.23Å; L30-L102 HydrophobicContact CD2-CD1 4.1Å
31E97.9Very high97.9Very high50 Ų5043.8 Ų43.823%0.23424%0.238CC..Hα-helixtrans-59.5-42.9174.9-72.6179172.700111.4A27 E28 S35 G52 L56A27-E31 WeakPolarHBondContact O-CG 3.4Å; A27-E31 PolarHBondContact O-N 3.13Å; E28-E31 PolarHBondContact O-N 3.24Å; E31-S35 VanDerWaalsContact O-CB 3.28Å; E31-S35 WeakPolarHBondContact O-CB 3.49Å; E31-S35 PolarHBondContact O-N 3.21Å; E31-S35 PolarHBondContact O-OG 2.84Å; E31-G52 PolarHBondContact OE1-N 3.31Å; E31-L56 HydrophobicContact CG-CD1 4.13Å
32R98.4Very high98Very high92 Ų9244.8 Ų44.835%0.34725%0.249SC..Hα-helixtrans-61.7-46.6172.1-72.6175.5-177.5-82.40.1111.5E28 L30 F34 S35 S36 C105 S109E28-R32 WeakPolarHBondContact O-CB 3.14Å; E28-R32 WeakPolarHBondContact O-CG 3.4Å; E28-R32 PolarHBondContact O-N 2.62Å; E28-R32 IonicContact OE1-CZ 3.2Å; E28-R32 IonicContact OE1-NE 2.84Å; E28-R32 PolarHBondContact OE1-NE 3.22Å; E28-R32 IonicContact OE1-NH2 2.7Å; E28-R32 PolarHBondContact OE1-NH2 2.87Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.37Å; R32-F34 PolarHBondContact O-N 2.92Å; R32-S35 PolarHBondContact O-N 3.32Å; R32-S36 WeakPolarHBondContact O-CB 3.46Å; R32-S36 PolarHBondContact O-N 2.98Å; R32-S36 PolarHBondContact O-OG 2.97Å; R32-C105 HydrophobicContact CB-CB 4.08Å; R32-S109 WeakPolarHBondContact CD-OG 3.42Å; R32-S109 PolarHBondContact NE-OG 3.39Å
33L98.7Very high98Very high9 Ų947.9 Ų47.95%0.04726%0.26CS..Hα-helixtrans-56.2-52.2178.5178.769.7000111.2S29 L30 S35 Y37 T40 L101 L102 C105S29-L33 WeakPolarHBondContact O-CB 3.2Å; S29-L33 PolarHBondContact O-N 2.96Å; L30-L33 HydrophobicContact CD2-CD2 4.37Å; L30-L33 WeakPolarHBondContact O-CB 3.32Å; L30-L33 PolarHBondContact O-N 3.43Å; L33-S35 VanDerWaalsContact C-N 3.31Å; L33-S35 PolarHBondContact O-N 3.18Å; L33-Y37 HydrophobicContact CD1-CD2 3.93Å; L33-Y37 CarbonylContact O-C 3.48Å; L33-Y37 WeakPolarHBondContact O-CA 3.45Å; L33-Y37 WeakPolarHBondContact O-CB 3.47Å; L33-Y37 PolarHBondContact O-N 3.37Å; L33-T40 HydrophobicContact CD1-CG2 3.82Å; L33-T40 HydrophobicContact CD2-CG2 4.39Å; L33-T40 HydrophobicContact CG-CG2 4.09Å; L33-L101 HydrophobicContact CD1-CB 3.64Å; L33-L102 HydrophobicContact CD1-CB 4.43Å; L33-L102 HydrophobicContact CD2-CB 4.26Å; L33-L102 HydrophobicContact CD2-CD1 4.19Å; L33-C105 VanDerWaalsContact CA-SG 3.56Å; L33-C105 HydrophobicContact CB-CB 4.47Å
34F98.4Very high98.2Very high4 Ų445.7 Ų45.72%0.01825%0.246CC..Hα-helixtrans-69.8-29.2-177-65-44.8000113L30 R32 T40 K41 F44 L49 L56L30-F34 HydrophobicContact CB-CD2 4.36Å; L30-F34 HydrophobicContact CB-CE2 3.97Å; L30-F34 HydrophobicContact CD2-CE2 4.37Å; L30-F34 HydrophobicContact CD2-CZ 4.44Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 WeakPolarHBondContact O-CG 3.5Å; L30-F34 PolarHBondContact O-N 2.94Å; R32-F34 PolarHBondContact O-N 2.92Å; F34-T40 WeakPolarHBondContact CD1-OG1 3.45Å; F34-K41 HydrophobicContact CB-CG 4.09Å; F34-K41 HydrophobicContact CD1-CB 4.44Å; F34-K41 HydrophobicContact CD1-CG 3.69Å; F34-K41 HydrophobicContact CG-CG 4.16Å; F34-K41 WeakPolarHBondContact O-CE 3.41Å; F34-F44 AromaticContact CE1-CD2 3.52Å; F34-F44 HydrophobicContact CE1-CD2 3.52Å; F34-F44 AromaticContact CE1-CE2 3.82Å; F34-F44 HydrophobicContact CE1-CE2 3.82Å; F34-F44 HydrophobicContact CE1-CG 4.28Å; F34-F44 HydrophobicContact CZ-CD1 4.43Å; F34-F44 AromaticContact CZ-CD2 3.45Å; F34-F44 HydrophobicContact CZ-CD2 3.45Å; F34-F44 VanDerWaalsContact CZ-CD2 3.45Å; F34-F44 AromaticContact CZ-CE2 3.62Å; F34-F44 HydrophobicContact CZ-CE2 3.62Å; F34-F44 AromaticContact CZ-CG 3.89Å; F34-F44 HydrophobicContact CZ-CG 3.89Å; F34-F44 HydrophobicContact CZ-CZ 4.18Å; F34-L49 HydrophobicContact CD2-CD2 4.06Å; F34-L49 HydrophobicContact CE2-CD2 3.79Å; F34-L49 HydrophobicContact CZ-CD2 4.16Å; F34-L56 HydrophobicContact CD2-CD2 3.98Å; F34-L56 HydrophobicContact CE2-CD2 3.45Å; F34-L56 VanDerWaalsContact CE2-CD2 3.45Å
35S97.8Very high98.3Very high91 Ų9148.9 Ų48.964%0.63626%0.264SS*.Hα-helixtrans-77.7-45.9177.5-57.50000112.1E31 R32 L33E31-S35 VanDerWaalsContact O-CB 3.28Å; E31-S35 WeakPolarHBondContact O-CB 3.49Å; E31-S35 PolarHBondContact O-N 3.21Å; E31-S35 PolarHBondContact O-OG 2.84Å; R32-S35 PolarHBondContact O-N 3.32Å; L33-S35 VanDerWaalsContact C-N 3.31Å; L33-S35 PolarHBondContact O-N 3.18Å
36S98.5Very high98.2Very high80 Ų8055 Ų5556%0.55929%0.292SS*.Hα-helixtrans-82.3-26.3-176.8-60.60000113.4R32R32-S36 WeakPolarHBondContact O-CB 3.46Å; R32-S36 PolarHBondContact O-N 2.98Å; R32-S36 PolarHBondContact O-OG 2.97Å
37Y98.4Very high98.2Very high61 Ų6156.9 Ų56.924%0.23930%0.299CS..  trans-133.371.5-176.5-51.2-73.5000111.2L33 Q39 T40 L101 H104L33-Y37 HydrophobicContact CD1-CD2 3.93Å; L33-Y37 CarbonylContact O-C 3.48Å; L33-Y37 WeakPolarHBondContact O-CA 3.45Å; L33-Y37 WeakPolarHBondContact O-CB 3.47Å; L33-Y37 PolarHBondContact O-N 3.37Å; Y37-Q39 VanDerWaalsContact CA-OE1 3.3Å; Y37-Q39 PolarHBondContact O-N 3.43Å; Y37-Q39 PolarHBondContact O-OE1 3.42Å; Y37-T40 WeakPolarHBondContact O-CB 3.48Å; Y37-T40 WeakPolarHBondContact O-CG2 3.44Å; Y37-T40 PolarHBondContact O-N 3Å; Y37-T40 PolarHBondContact O-OG1 2.87Å; Y37-L101 HydrophobicContact CD1-CD1 4.1Å; Y37-L101 HydrophobicContact CD1-CD2 3.98Å; Y37-L101 HydrophobicContact CD2-CB 4.09Å; Y37-L101 HydrophobicContact CE1-CD2 3.82Å; Y37-L101 HydrophobicContact CE2-CB 4.29Å; Y37-L101 HydrophobicContact CE2-CD2 4.43Å; Y37-L101 HydrophobicContact CG-CB 4.32Å; Y37-L101 HydrophobicContact CG-CD1 3.98Å; Y37-L101 HydrophobicContact CG-CD2 4.34Å; Y37-L101 HydrophobicContact CG-CG 4.45Å; Y37-H104 PolarHBondContact OH-CD2 3.48Å
38P98Very high98.1Very high73 Ų7360 Ų6047%0.47431%0.314SS..G310 helixtrans-58.1-24.7-172.3-26.336000115.2T40 K41P38-T40 PolarHBondContact O-N 3.17Å; P38-K41 VanDerWaalsContact O-CB 3.26Å; P38-K41 WeakPolarHBondContact O-CB 3.47Å; P38-K41 VanDerWaalsContact O-CG 3.31Å; P38-K41 WeakPolarHBondContact O-CG 3.4Å; P38-K41 PolarHBondContact O-N 3.28Å
39Q98.4Very high98.1Very high101 Ų10160.9 Ų60.947%0.47232%0.32SS..G310 helixtrans-58.1-28.2175.371.9-79.916.800112.9Y37 K41 T42Y37-Q39 VanDerWaalsContact CA-OE1 3.3Å; Y37-Q39 PolarHBondContact O-N 3.43Å; Y37-Q39 PolarHBondContact O-OE1 3.42Å; Q39-K41 PolarHBondContact O-N 2.97Å; Q39-T42 WeakPolarHBondContact O-CB 3.49Å; Q39-T42 WeakPolarHBondContact O-CG2 3.45Å; Q39-T42 PolarHBondContact O-N 2.73Å; Q39-T42 PolarHBondContact O-OG1 3.45Å
40T98.6Very high97.8Very high3 Ų363.6 Ų63.62%0.01834%0.339CS..G310 helixtrans-67.9-19.8177.863.50000113.3L33 F34 Y37 P38 T42 Y43 N98 L101L33-T40 HydrophobicContact CD1-CG2 3.82Å; L33-T40 HydrophobicContact CD2-CG2 4.39Å; L33-T40 HydrophobicContact CG-CG2 4.09Å; F34-T40 WeakPolarHBondContact CD1-OG1 3.45Å; Y37-T40 WeakPolarHBondContact O-CB 3.48Å; Y37-T40 WeakPolarHBondContact O-CG2 3.44Å; Y37-T40 PolarHBondContact O-N 3Å; Y37-T40 PolarHBondContact O-OG1 2.87Å; P38-T40 PolarHBondContact O-N 3.17Å; T40-T42 PolarHBondContact O-N 2.86Å; T40-Y43 PolarHBondContact O-N 3.36Å; T40-N98 WeakPolarHBondContact CG2-OD1 3.44Å; T40-L101 HydrophobicContact CG2-CD1 3.98Å
41K98.4Very high97.3Very high89 Ų8971.6 Ų71.639%0.38738%0.376SS..G310 helixtrans-62.9-23176.2-62.3-177.3-178.8176.50112.8F34 P38 Q39 Y43 F44 L49F34-K41 HydrophobicContact CB-CG 4.09Å; F34-K41 HydrophobicContact CD1-CB 4.44Å; F34-K41 HydrophobicContact CD1-CG 3.69Å; F34-K41 HydrophobicContact CG-CG 4.16Å; F34-K41 WeakPolarHBondContact O-CE 3.41Å; P38-K41 VanDerWaalsContact O-CB 3.26Å; P38-K41 WeakPolarHBondContact O-CB 3.47Å; P38-K41 VanDerWaalsContact O-CG 3.31Å; P38-K41 WeakPolarHBondContact O-CG 3.4Å; P38-K41 PolarHBondContact O-N 3.28Å; Q39-K41 PolarHBondContact O-N 2.97Å; K41-Y43 PolarHBondContact O-N 3.45Å; K41-Y43 VanDerWaalsContact O-N 3.15Å; K41-F44 CarbonylContact O-C 3.57Å; K41-F44 PolarHBondContact O-N 3.49Å; K41-L49 HydrophobicContact CB-CD1 3.91Å; K41-L49 HydrophobicContact CD-CD1 4.1Å; K41-L49 HydrophobicContact CG-CD1 3.8Å
42T98.4Very high96.9Very high104 Ų10471.7 Ų71.764%0.63839%0.39SS*.G310 helixtrans-60-23.7179.957.90000113.5Q39 T40 F44 P45Q39-T42 WeakPolarHBondContact O-CB 3.49Å; Q39-T42 WeakPolarHBondContact O-CG2 3.45Å; Q39-T42 PolarHBondContact O-N 2.73Å; Q39-T42 PolarHBondContact O-OG1 3.45Å; T40-T42 PolarHBondContact O-N 2.86Å; T42-F44 VanDerWaalsContact C-N 3.31Å; T42-P45 WeakPolarHBondContact O-CD 3.18Å
43Y98.4Very high96.7Very high74 Ų7467.5 Ų67.529%0.2938%0.375SS..G310 helixtrans-80.5-10.3174.7-63.4-73.9000113.7T40 K41 V94 D95 N98T40-Y43 PolarHBondContact O-N 3.36Å; K41-Y43 PolarHBondContact O-N 3.45Å; K41-Y43 VanDerWaalsContact O-N 3.15Å; Y43-V94 HydrophobicContact CD1-CG2 3.93Å; Y43-V94 HydrophobicContact CD2-CG1 4.49Å; Y43-V94 HydrophobicContact CE1-CB 4.22Å; Y43-V94 HydrophobicContact CE1-CG1 4.35Å; Y43-V94 HydrophobicContact CE1-CG2 4.12Å; Y43-V94 HydrophobicContact CE2-CG1 4.18Å; Y43-V94 HydrophobicContact CG-CG2 4.37Å; Y43-D95 PolarHBondContact OH-N 3.39Å; Y43-N98 WeakPolarHBondContact CE2-ND2 3.33Å; Y43-N98 PolarHBondContact OH-ND2 3.4Å
44F98.3Very high96.6Very high33 Ų3371.9 Ų71.915%0.14540%0.402CS..  trans-126.144.8-173.1-61.1-90.6000113.7F34 K41 T42 H46 F47 L49 H59F34-F44 AromaticContact CE1-CD2 3.52Å; F34-F44 HydrophobicContact CE1-CD2 3.52Å; F34-F44 AromaticContact CE1-CE2 3.82Å; F34-F44 HydrophobicContact CE1-CE2 3.82Å; F34-F44 HydrophobicContact CE1-CG 4.28Å; F34-F44 HydrophobicContact CZ-CD1 4.43Å; F34-F44 AromaticContact CZ-CD2 3.45Å; F34-F44 HydrophobicContact CZ-CD2 3.45Å; F34-F44 VanDerWaalsContact CZ-CD2 3.45Å; F34-F44 AromaticContact CZ-CE2 3.62Å; F34-F44 HydrophobicContact CZ-CE2 3.62Å; F34-F44 AromaticContact CZ-CG 3.89Å; F34-F44 HydrophobicContact CZ-CG 3.89Å; F34-F44 HydrophobicContact CZ-CZ 4.18Å; K41-F44 CarbonylContact O-C 3.57Å; K41-F44 PolarHBondContact O-N 3.49Å; T42-F44 VanDerWaalsContact C-N 3.31Å; F44-H46 PolarHBondContact O-N 3.01Å; F44-H46 VanDerWaalsContact O-N 3.08Å; F44-F47 HydrophobicContact CB-CB 4.16Å; F44-F47 HydrophobicContact CB-CG 4.39Å; F44-F47 HydrophobicContact CD1-CD1 4.35Å; F44-F47 AromaticContact CD1-CD2 4Å; F44-F47 HydrophobicContact CD1-CD2 4Å; F44-F47 HydrophobicContact CD1-CE1 4.48Å; F44-F47 HydrophobicContact CD1-CE2 4.16Å; F44-F47 HydrophobicContact CD1-CG 4.12Å; F44-F47 HydrophobicContact CD1-CZ 4.4Å; F44-F47 PolarHBondContact O-N 3.48Å; F44-L49 HydrophobicContact CB-CD1 4.42Å; F44-L49 HydrophobicContact CB-CD2 4.03Å; F44-H59 AromaticContact CE1-CD2 3.65Å; F44-H59 AromaticContact CE1-NE2 3.51Å; F44-H59 AromaticContact CZ-NE2 3.64Å
45P97.8Very high96.6Very high113 Ų11375.7 Ų75.773%0.73442%0.42SS*.THydrogen-bonded Turntrans-66.9-13.8-178.930.9-37.4000113.4T42T42-P45 WeakPolarHBondContact O-CD 3.18Å
46H97.2Very high96.5Very high127 Ų12771.4 Ų71.459%0.58839%0.39SS*.THydrogen-bonded Turntrans-101.56.3-177.458.3-76.7000112.9F44 Q55F44-H46 PolarHBondContact O-N 3.01Å; F44-H46 VanDerWaalsContact O-N 3.08Å; H46-Q55 PolarHBondContact O-NE2 3.4Å
47F97.3Very high96.4Very high42 Ų4273.5 Ų73.518%0.18439%0.385CS..SBendtrans-105.6141.3176.8-87.5-123.9000110.8F44 L49 Q55 L56 H59F44-F47 HydrophobicContact CB-CB 4.16Å; F44-F47 HydrophobicContact CB-CG 4.39Å; F44-F47 HydrophobicContact CD1-CD1 4.35Å; F44-F47 AromaticContact CD1-CD2 4Å; F44-F47 HydrophobicContact CD1-CD2 4Å; F44-F47 HydrophobicContact CD1-CE1 4.48Å; F44-F47 HydrophobicContact CD1-CE2 4.16Å; F44-F47 HydrophobicContact CD1-CG 4.12Å; F44-F47 HydrophobicContact CD1-CZ 4.4Å; F44-F47 PolarHBondContact O-N 3.48Å; F47-L49 HydrophobicContact CB-CD2 3.6Å; F47-L49 HydrophobicContact CB-CG 4.21Å; F47-L49 HydrophobicContact CG-CD2 4.45Å; F47-L49 PolarHBondContact O-N 3.1Å; F47-Q55 HydrophobicContact CD1-CB 3.53Å; F47-Q55 HydrophobicContact CE1-CB 3.73Å; F47-Q55 WeakPolarHBondContact CE1-O 3.32Å; F47-Q55 HydrophobicContact CG-CB 4.2Å; F47-L56 HydrophobicContact CD1-CD2 4.34Å; F47-H59 HydrophobicContact CE1-CB 3.68Å; F47-H59 HydrophobicContact CZ-CB 4.02Å
48D97.2Very high96.4Very high79 Ų7972.3 Ų72.342%0.42239%0.392SS..  trans-67.4112.5151.2177.610.9000108.6S50 S53D48-S50 VanDerWaalsContact CG-OG 3.23Å; D48-S50 WeakPolarHBondContact OD1-CB 3.33Å; D48-S50 PolarHBondContact OD1-N 3.1Å; D48-S50 PolarHBondContact OD1-OG 3.36Å; D48-S50 PolarHBondContact OD2-OG 2.91Å; D48-S50 VanDerWaalsContact OD2-OG 3.1Å; D48-S53 WeakPolarHBondContact O-CB 3.5Å; D48-S53 PolarHBondContact O-OG 3.34Å
49L96.4Very high96.4Very high48 Ų4871.4 Ų71.425%0.25138%0.382SS..  trans-10012.7179.4-57-179.8000112.6F34 K41 F44 F47 L56F34-L49 HydrophobicContact CD2-CD2 4.06Å; F34-L49 HydrophobicContact CE2-CD2 3.79Å; F34-L49 HydrophobicContact CZ-CD2 4.16Å; K41-L49 HydrophobicContact CB-CD1 3.91Å; K41-L49 HydrophobicContact CD-CD1 4.1Å; K41-L49 HydrophobicContact CG-CD1 3.8Å; F44-L49 HydrophobicContact CB-CD1 4.42Å; F44-L49 HydrophobicContact CB-CD2 4.03Å; F47-L49 HydrophobicContact CB-CD2 3.6Å; F47-L49 HydrophobicContact CB-CG 4.21Å; F47-L49 HydrophobicContact CG-CD2 4.45Å; F47-L49 PolarHBondContact O-N 3.1Å; L49-L56 HydrophobicContact CD2-CD2 3.67Å; L49-L56 HydrophobicContact CD2-CG 4.36Å
50S93.1Very high96.4Very high58 Ų5866.6 Ų66.641%0.40636%0.359SS..SBendtrans-65.9153.6173.667.10000111.4D48 G52 S53D48-S50 VanDerWaalsContact CG-OG 3.23Å; D48-S50 WeakPolarHBondContact OD1-CB 3.33Å; D48-S50 PolarHBondContact OD1-N 3.1Å; D48-S50 PolarHBondContact OD1-OG 3.36Å; D48-S50 PolarHBondContact OD2-OG 2.91Å; D48-S50 VanDerWaalsContact OD2-OG 3.1Å; S50-G52 PolarHBondContact O-N 3.07Å; S50-S53 WeakPolarHBondContact O-CB 3.38Å; S50-S53 PolarHBondContact O-N 3.1Å; S50-S53 VanDerWaalsContact O-N 3.08Å
51Q88.7Confident96.4Very high172 Ų17267.6 Ų67.680%0.80437%0.366SS*.THydrogen-bonded Turntrans-58.1131.1178.2-173.6-179.61.300110.4S53Q51-S53 VanDerWaalsContact C-N 3.3Å; Q51-S53 PolarHBondContact O-N 3.2Å
52G88.8Confident96.4Very high52 Ų5270.6 Ų70.654%0.53638%0.379SS..THydrogen-bonded Turntrans78.86.5-178.100000115.4E31 S50 V54E31-G52 PolarHBondContact OE1-N 3.31Å; S50-G52 PolarHBondContact O-N 3.07Å; G52-V54 PolarHBondContact O-N 3.44Å
53S94.6Very high96.4Very high5 Ų567 Ų674%0.03536%0.357CS..  trans-50.8132.3174.8161.50000112.3D48 S50 Q51 Q55 L56 R57D48-S53 WeakPolarHBondContact O-CB 3.5Å; D48-S53 PolarHBondContact O-OG 3.34Å; S50-S53 WeakPolarHBondContact O-CB 3.38Å; S50-S53 PolarHBondContact O-N 3.1Å; S50-S53 VanDerWaalsContact O-N 3.08Å; Q51-S53 VanDerWaalsContact C-N 3.3Å; Q51-S53 PolarHBondContact O-N 3.2Å; S53-Q55 PolarHBondContact O-N 3.43Å; S53-Q55 PolarHBondContact OG-N 2.99Å; S53-L56 PolarHBondContact O-N 3.47Å; S53-L56 PolarHBondContact OG-N 3.33Å; S53-R57 PolarHBondContact O-N 2.93Å
54V96.8Very high96.4Very high100 Ų10063.5 Ų63.561%0.60634%0.343SS*.Hα-helixtrans-63.8-34.2175.8178.90000110.8G52 G58G52-V54 PolarHBondContact O-N 3.44Å; V54-G58 PolarHBondContact O-N 3.47Å
55Q97.5Very high96.4Very high84 Ų8466.1 Ų66.139%0.39336%0.359SS..Hα-helixtrans-67.2-44.4177.4-63.7-179.7-78.800110.4H46 F47 S53 G58 H59H46-Q55 PolarHBondContact O-NE2 3.4Å; F47-Q55 HydrophobicContact CD1-CB 3.53Å; F47-Q55 HydrophobicContact CE1-CB 3.73Å; F47-Q55 WeakPolarHBondContact CE1-O 3.32Å; F47-Q55 HydrophobicContact CG-CB 4.2Å; S53-Q55 PolarHBondContact O-N 3.43Å; S53-Q55 PolarHBondContact OG-N 2.99Å; Q55-G58 PolarHBondContact O-N 3.07Å; Q55-H59 WeakPolarHBondContact O-CB 3.36Å; Q55-H59 PolarHBondContact O-N 3.38Å
56L95Very high96.5Very high1 Ų161.9 Ų61.91%0.00533%0.333CS..Hα-helixtrans-60.3-47174.9-76.1-174.3000112.1L30 E31 F34 F47 L49 S53 G58 H59 G60L30-L56 HydrophobicContact CB-CD2 4.45Å; E31-L56 HydrophobicContact CG-CD1 4.13Å; F34-L56 HydrophobicContact CD2-CD2 3.98Å; F34-L56 HydrophobicContact CE2-CD2 3.45Å; F34-L56 VanDerWaalsContact CE2-CD2 3.45Å; F47-L56 HydrophobicContact CD1-CD2 4.34Å; L49-L56 HydrophobicContact CD2-CD2 3.67Å; L49-L56 HydrophobicContact CD2-CG 4.36Å; S53-L56 PolarHBondContact O-N 3.47Å; S53-L56 PolarHBondContact OG-N 3.33Å; L56-G58 VanDerWaalsContact C-N 3.34Å; L56-G58 PolarHBondContact O-N 2.85Å; L56-H59 PolarHBondContact O-N 2.96Å; L56-G60 PolarHBondContact O-N 3.44Å
57R96.4Very high96.5Very high124 Ų12456.3 Ų56.347%0.46831%0.308SS..Hα-helixtrans-59.7-45.4176.7-174.5175.364.8-122.83111.9A27 S53 H59 G60 S61A27-R57 HydrophobicContact CB-CB 4.47Å; S53-R57 PolarHBondContact O-N 2.93Å; R57-H59 PolarHBondContact O-N 3.28Å; R57-G60 PolarHBondContact O-N 2.97Å; R57-S61 PolarHBondContact O-N 3.47Å
58G98.3Very high96.6Very high37 Ų3754.8 Ų54.838%0.38130%0.304SS..Hα-helixtrans-63.1-39.1177.800000113V54 Q55 L56 K62V54-G58 PolarHBondContact O-N 3.47Å; Q55-G58 PolarHBondContact O-N 3.07Å; L56-G58 VanDerWaalsContact C-N 3.34Å; L56-G58 PolarHBondContact O-N 2.85Å; G58-K62 WeakPolarHBondContact O-CG 3.48Å; G58-K62 PolarHBondContact O-N 3.31Å
59H98.4Very high96.7Very high54 Ų5455.2 Ų55.225%0.2530%0.303CS..Hα-helixtrans-73.8-41176.6-169.664.8000112.3L30 F44 F47 Q55 L56 R57 S61 K62 V63L30-H59 HydrophobicContact CD1-CB 4.23Å; F44-H59 AromaticContact CE1-CD2 3.65Å; F44-H59 AromaticContact CE1-NE2 3.51Å; F44-H59 AromaticContact CZ-NE2 3.64Å; F47-H59 HydrophobicContact CE1-CB 3.68Å; F47-H59 HydrophobicContact CZ-CB 4.02Å; Q55-H59 WeakPolarHBondContact O-CB 3.36Å; Q55-H59 PolarHBondContact O-N 3.38Å; L56-H59 PolarHBondContact O-N 2.96Å; R57-H59 PolarHBondContact O-N 3.28Å; H59-S61 VanDerWaalsContact C-N 3.3Å; H59-S61 PolarHBondContact O-N 2.96Å; H59-K62 WeakPolarHBondContact O-CB 3.39Å; H59-K62 PolarHBondContact O-N 3.07Å; H59-K62 VanDerWaalsContact O-N 3.07Å; H59-V63 WeakPolarHBondContact O-CG2 3.34Å; H59-V63 PolarHBondContact O-N 3.48Å
60G98.4Very high96.8Very high0 Ų053 Ų530%029%0.291CS..Hα-helixtrans-56.4-43.4174.200000112.2L56 R57 K62 V63 M64L56-G60 PolarHBondContact O-N 3.44Å; R57-G60 PolarHBondContact O-N 2.97Å; G60-K62 PolarHBondContact O-N 2.9Å; G60-V63 PolarHBondContact O-N 3.24Å; G60-M64 WeakPolarHBondContact O-CG 3.25Å; G60-M64 PolarHBondContact O-N 3.07Å
61S98.3Very high97.1Very high24 Ų2450.6 Ų50.617%0.16827%0.274CS..Hα-helixtrans-57.7-46.9172.9-176.20000112.1D23 R57 H59 V63 M64 N65D23-S61 WeakPolarHBondContact OD1-CB 3.34Å; D23-S61 PolarHBondContact OD1-OG 2.73Å; R57-S61 PolarHBondContact O-N 3.47Å; H59-S61 VanDerWaalsContact C-N 3.3Å; H59-S61 PolarHBondContact O-N 2.96Å; S61-V63 VanDerWaalsContact C-N 3.35Å; S61-V63 PolarHBondContact O-N 2.99Å; S61-M64 PolarHBondContact O-N 2.74Å; S61-N65 WeakPolarHBondContact O-CB 3.42Å; S61-N65 PolarHBondContact O-N 2.94Å; S61-N65 PolarHBondContact O-ND2 3.48Å
62K98.7Very high97.6Very high151 Ų15149.3 Ų49.366%0.65727%0.266SS*.Hα-helixtrans-60.5-42177.1-69.6177.5-178.3-178.50112.6G58 H59 G60 A66G58-K62 WeakPolarHBondContact O-CG 3.48Å; G58-K62 PolarHBondContact O-N 3.31Å; H59-K62 WeakPolarHBondContact O-CB 3.39Å; H59-K62 PolarHBondContact O-N 3.07Å; H59-K62 VanDerWaalsContact O-N 3.07Å; G60-K62 PolarHBondContact O-N 2.9Å; K62-A66 PolarHBondContact O-N 2.81Å; K62-A66 VanDerWaalsContact O-N 3.1Å
63V98.8Very high98Very high29 Ų2950.5 Ų50.518%0.17626%0.258CS..Hα-helixtrans-61.9-50.1176.8170.60000110.5H59 G60 S61 N65 A66 I67 L102H59-V63 WeakPolarHBondContact O-CG2 3.34Å; H59-V63 PolarHBondContact O-N 3.48Å; G60-V63 PolarHBondContact O-N 3.24Å; S61-V63 VanDerWaalsContact C-N 3.35Å; S61-V63 PolarHBondContact O-N 2.99Å; V63-N65 VanDerWaalsContact C-N 3.34Å; V63-N65 PolarHBondContact O-N 2.94Å; V63-A66 WeakPolarHBondContact O-CB 3.43Å; V63-A66 PolarHBondContact O-N 2.7Å; V63-I67 HydrophobicContact CG1-CD1 4.18Å; V63-I67 WeakPolarHBondContact O-CG1 3.46Å; V63-I67 PolarHBondContact O-N 3.45Å; V63-I67 VanDerWaalsContact O-N 3.07Å; V63-L102 HydrophobicContact CG1-CD2 4.24Å
64M98.8Very high98.2Very high0 Ų051.1 Ų51.10%026%0.26CS..Hα-helixtrans-67.9-34.2-178.5-64.7-56.4-63.600112.3W15 V18 A22 I25 G60 S61 A66 I67 G68W15-M64 HydrophobicContact CH2-CE 4.24Å; W15-M64 WeakPolarHBondContact CH2-O 3.21Å; W15-M64 HydrophobicContact CZ3-CE 3.75Å; V18-M64 HydrophobicContact CG1-CE 3.69Å; A22-M64 HydrophobicContact CB-CB 4Å; A22-M64 WeakPolarHBondContact O-CG 3.44Å; I25-M64 HydrophobicContact CG2-CE 3.85Å; I25-M64 HydrophobicContact CG2-SD 4.32Å; G60-M64 WeakPolarHBondContact O-CG 3.25Å; G60-M64 PolarHBondContact O-N 3.07Å; S61-M64 PolarHBondContact O-N 2.74Å; M64-A66 VanDerWaalsContact C-N 3.35Å; M64-A66 PolarHBondContact O-N 2.88Å; M64-I67 HydrophobicContact CE-CD1 4.44Å; M64-I67 WeakPolarHBondContact O-CB 3.27Å; M64-I67 PolarHBondContact O-N 3.43Å; M64-I67 HydrophobicContact SD-CD1 3.76Å; M64-G68 PolarHBondContact O-N 3.23Å
65N98.7Very high98.2Very high89 Ų8952.6 Ų52.648%0.47627%0.265SS..Hα-helixtrans-62-41.3172.2-71.1-24.3000111.9S61 V63 I67 G68 E69S61-N65 WeakPolarHBondContact O-CB 3.42Å; S61-N65 PolarHBondContact O-N 2.94Å; S61-N65 PolarHBondContact O-ND2 3.48Å; V63-N65 VanDerWaalsContact C-N 3.34Å; V63-N65 PolarHBondContact O-N 2.94Å; N65-I67 VanDerWaalsContact C-N 3.32Å; N65-I67 PolarHBondContact O-N 3.13Å; N65-G68 PolarHBondContact O-N 2.63Å; N65-G68 VanDerWaalsContact O-N 3.17Å; N65-E69 PolarHBondContact O-N 3.01Å
66A98.8Very high98.2Very high23 Ų2352.9 Ų52.919%0.1927%0.269CS..Hα-helixtrans-63.7-37.9174.800000112.4K62 V63 M64 G68 E69 A70 L84K62-A66 PolarHBondContact O-N 2.81Å; K62-A66 VanDerWaalsContact O-N 3.1Å; V63-A66 WeakPolarHBondContact O-CB 3.43Å; V63-A66 PolarHBondContact O-N 2.7Å; M64-A66 VanDerWaalsContact C-N 3.35Å; M64-A66 PolarHBondContact O-N 2.88Å; A66-G68 VanDerWaalsContact C-N 3.33Å; A66-E69 PolarHBondContact O-N 3.36Å; A66-A70 PolarHBondContact O-N 3.42Å; A66-L84 HydrophobicContact CB-CD1 3.53Å
67I98.8Very high98.4Very high11 Ų1153.6 Ų53.66%0.05627%0.273CS..Hα-helixtrans-63.3-41.8172.6-67.2169.8000110.4W15 V63 M64 N65 A70 V71 I106 F129 L130W15-I67 HydrophobicContact CE3-CG2 4.14Å; W15-I67 HydrophobicContact CH2-CB 4.49Å; W15-I67 HydrophobicContact CH2-CG2 4.34Å; W15-I67 HydrophobicContact CZ3-CB 4.27Å; W15-I67 HydrophobicContact CZ3-CG2 3.69Å; V63-I67 HydrophobicContact CG1-CD1 4.18Å; V63-I67 WeakPolarHBondContact O-CG1 3.46Å; V63-I67 PolarHBondContact O-N 3.45Å; V63-I67 VanDerWaalsContact O-N 3.07Å; M64-I67 HydrophobicContact CE-CD1 4.44Å; M64-I67 WeakPolarHBondContact O-CB 3.27Å; M64-I67 PolarHBondContact O-N 3.43Å; M64-I67 HydrophobicContact SD-CD1 3.76Å; N65-I67 VanDerWaalsContact C-N 3.32Å; N65-I67 PolarHBondContact O-N 3.13Å; I67-A70 CarbonylContact O-C 3.6Å; I67-A70 WeakPolarHBondContact O-CB 3.41Å; I67-A70 PolarHBondContact O-N 3.38Å; I67-A70 VanDerWaalsContact O-N 3.16Å; I67-V71 WeakPolarHBondContact O-CG2 3.35Å; I67-V71 PolarHBondContact O-N 3.46Å; I67-I106 HydrophobicContact CD1-CD1 3.6Å; I67-F129 HydrophobicContact CG2-CE1 3.98Å; I67-L130 HydrophobicContact CD1-CD2 4.29Å
68G98.8Very high98.5Very high10 Ų1055 Ų5510%0.10328%0.278CS..Hα-helixtrans-61.3-42.2175.200000113.7W15 M64 N65 A66 A70 V71 K72W15-G68 VanDerWaalsContact CE2-CA 3.45Å; M64-G68 PolarHBondContact O-N 3.23Å; N65-G68 PolarHBondContact O-N 2.63Å; N65-G68 VanDerWaalsContact O-N 3.17Å; A66-G68 VanDerWaalsContact C-N 3.33Å; G68-A70 VanDerWaalsContact C-N 3.31Å; G68-A70 PolarHBondContact O-N 2.98Å; G68-V71 PolarHBondContact O-N 3.41Å; G68-K72 WeakPolarHBondContact O-CB 3.5Å; G68-K72 PolarHBondContact O-N 3.07Å
69E98.8Very high98.5Very high88 Ų8855.1 Ų55.141%0.41128%0.279SS..Hα-helixtrans-62.2-39.5172.6-71.6-57.7132.400111.4N65 A66 V71 K72 H73N65-E69 PolarHBondContact O-N 3.01Å; A66-E69 PolarHBondContact O-N 3.36Å; E69-V71 PolarHBondContact O-N 2.92Å; E69-K72 PolarHBondContact O-N 3.37Å; E69-K72 IonicContact OE2-NZ 3.98Å; E69-H73 WeakPolarHBondContact O-CB 3.44Å; E69-H73 PolarHBondContact O-CD2 2.84Å; E69-H73 PolarHBondContact O-N 3.22Å; E69-H73 IonicContact OE2-CD2 3.9Å; E69-H73 IonicContact OE2-NE2 2.69Å
70A98.8Very high98.5Very high0 Ų054.4 Ų54.40%028%0.283CS..Hα-helixtrans-65.1-35.4173.700000113.1A66 I67 G68 H73 I74 I77 L81 F129 V133A66-A70 PolarHBondContact O-N 3.42Å; I67-A70 CarbonylContact O-C 3.6Å; I67-A70 WeakPolarHBondContact O-CB 3.41Å; I67-A70 PolarHBondContact O-N 3.38Å; I67-A70 VanDerWaalsContact O-N 3.16Å; G68-A70 VanDerWaalsContact C-N 3.31Å; G68-A70 PolarHBondContact O-N 2.98Å; A70-H73 CarbonylContact O-C 3.25Å; A70-H73 VanDerWaalsContact O-C 3.25Å; A70-I74 VanDerWaalsContact O-CA 3.26Å; A70-I74 WeakPolarHBondContact O-CA 3.45Å; A70-I74 PolarHBondContact O-N 2.7Å; A70-I74 VanDerWaalsContact O-N 3.09Å; A70-I77 HydrophobicContact CB-CG2 4.12Å; A70-L81 HydrophobicContact CB-CD1 4.08Å; A70-L81 HydrophobicContact CB-CD2 4.41Å; A70-L81 HydrophobicContact CB-CG 4.41Å; A70-F129 HydrophobicContact CB-CE2 4.15Å; A70-F129 HydrophobicContact CB-CZ 3.79Å; A70-V133 HydrophobicContact CB-CG2 3.87Å
71V98.7Very high98.5Very high8 Ų854.7 Ų54.75%0.04828%0.284CS..Hα-helixtrans-68.4-42.3173.4174.60000111.1V11 I12 W15 I67 G68 E69 H73 I74 F129V11-V71 HydrophobicContact CG1-CG1 4.43Å; V11-V71 HydrophobicContact CG1-CG2 3.91Å; I12-V71 HydrophobicContact CG1-CG1 3.93Å; W15-V71 HydrophobicContact CB-CG1 3.93Å; W15-V71 HydrophobicContact CB-CG2 4.12Å; W15-V71 HydrophobicContact CD2-CB 4.4Å; W15-V71 HydrophobicContact CD2-CG2 3.98Å; W15-V71 HydrophobicContact CE3-CG2 4.29Å; W15-V71 HydrophobicContact CG-CB 4.03Å; W15-V71 HydrophobicContact CG-CG1 3.78Å; W15-V71 HydrophobicContact CG-CG2 3.84Å; I67-V71 WeakPolarHBondContact O-CG2 3.35Å; I67-V71 PolarHBondContact O-N 3.46Å; G68-V71 PolarHBondContact O-N 3.41Å; E69-V71 PolarHBondContact O-N 2.92Å; V71-H73 PolarHBondContact O-N 2.95Å; V71-I74 WeakPolarHBondContact O-CB 3.48Å; V71-I74 PolarHBondContact O-N 2.84Å; V71-F129 HydrophobicContact CB-CZ 4.42Å; V71-F129 HydrophobicContact CG2-CE1 3.77Å; V71-F129 HydrophobicContact CG2-CE2 4.22Å; V71-F129 HydrophobicContact CG2-CZ 3.45Å; V71-F129 VanDerWaalsContact CG2-CZ 3.45Å
72K98.6Very high98.5Very high146 Ų14655 Ų5564%0.63529%0.289SS*.Hα-helixtrans-62.7-34.9177.4-179-177.4171.7-167.20112G68 E69G68-K72 WeakPolarHBondContact O-CB 3.5Å; G68-K72 PolarHBondContact O-N 3.07Å; E69-K72 PolarHBondContact O-N 3.37Å; E69-K72 IonicContact OE2-NZ 3.98Å
73H98.5Very high98.5Very high77 Ų7756.2 Ų56.236%0.35629%0.294SS..THydrogen-bonded Turntrans-108.941.6178.2-65.5-84.6000111.5E69 A70 V71 D75 D76 I77 A80E69-H73 WeakPolarHBondContact O-CB 3.44Å; E69-H73 PolarHBondContact O-CD2 2.84Å; E69-H73 PolarHBondContact O-N 3.22Å; E69-H73 IonicContact OE2-CD2 3.9Å; E69-H73 IonicContact OE2-NE2 2.69Å; A70-H73 CarbonylContact O-C 3.25Å; A70-H73 VanDerWaalsContact O-C 3.25Å; V71-H73 PolarHBondContact O-N 2.95Å; H73-D75 PolarHBondContact O-N 3.49Å; H73-D76 CarbonylContact O-C 3.07Å; H73-D76 WeakPolarHBondContact O-CA 3.48Å; H73-D76 PolarHBondContact O-N 3.46Å; H73-I77 PolarHBondContact O-N 3.23Å; H73-A80 HydrophobicContact CB-CB 3.58Å
74I98.1Very high98.5Very high17 Ų1757.5 Ų57.59%0.08730%0.299CS..THydrogen-bonded Turntrans-60.7-20.7-172.7-159162.2000114.2L3 K8 V11 A70 V71 F129L3-I74 HydrophobicContact CD1-CD1 4.02Å; L3-I74 HydrophobicContact CD1-CG1 3.91Å; K8-I74 HydrophobicContact CB-CD1 4Å; K8-I74 HydrophobicContact CD-CG2 4.23Å; K8-I74 HydrophobicContact CG-CD1 3.9Å; K8-I74 HydrophobicContact CG-CG1 4.14Å; K8-I74 HydrophobicContact CG-CG2 4.32Å; V11-I74 HydrophobicContact CB-CD1 4.03Å; V11-I74 HydrophobicContact CG1-CD1 3.82Å; A70-I74 VanDerWaalsContact O-CA 3.26Å; A70-I74 WeakPolarHBondContact O-CA 3.45Å; A70-I74 PolarHBondContact O-N 2.7Å; A70-I74 VanDerWaalsContact O-N 3.09Å; V71-I74 WeakPolarHBondContact O-CB 3.48Å; V71-I74 PolarHBondContact O-N 2.84Å; I74-F129 HydrophobicContact CD1-CD2 4.25Å; I74-F129 HydrophobicContact CD1-CE2 4.42Å; I74-F129 HydrophobicContact CG1-CD2 4.29Å; I74-F129 HydrophobicContact CG1-CE2 4.28Å
75D97.6Very high98.4Very high131 Ų13157.5 Ų57.570%0.70130%0.299SS*.THydrogen-bonded Turntrans-86.4-16.8174-66.1-55.2000113.7K8 H73K8-D75 WeakPolarHBondContact CE-OD1 3.4Å; K8-D75 IonicContact NZ-OD1 2.81Å; K8-D75 PolarHBondContact NZ-OD1 3Å; H73-D75 PolarHBondContact O-N 3.49Å
76D97.9Very high98.4Very high91 Ų9157.3 Ų57.349%0.48730%0.296SS..  trans-141.358.3178.5-175.624.5000111.9H73 R78 G79 A80H73-D76 CarbonylContact O-C 3.07Å; H73-D76 WeakPolarHBondContact O-CA 3.48Å; H73-D76 PolarHBondContact O-N 3.46Å; D76-R78 PolarHBondContact O-N 3.03Å; D76-G79 PolarHBondContact O-N 2.68Å; D76-G79 WeakPolarHBondContact OD1-CA 3.49Å; D76-G79 PolarHBondContact OD1-N 3.19Å; D76-A80 WeakPolarHBondContact O-CB 3.34Å; D76-A80 PolarHBondContact O-N 2.96Å; D76-A80 VanDerWaalsContact O-N 3.1Å
77I98.4Very high98.4Very high15 Ų1559.1 Ų59.18%0.07730%0.302CS..Hα-helixtrans-60.8-35.6178.2-60174.6000110.5A70 H73 A80 L81 F129 V133 V136A70-I77 HydrophobicContact CB-CG2 4.12Å; H73-I77 PolarHBondContact O-N 3.23Å; I77-A80 PolarHBondContact O-N 2.9Å; I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 HydrophobicContact CG2-CG 4.2Å; I77-L81 WeakPolarHBondContact O-CB 3.49Å; I77-L81 WeakPolarHBondContact O-CG 3.48Å; I77-L81 PolarHBondContact O-N 2.69Å; I77-F129 HydrophobicContact CD1-CD2 3.99Å; I77-F129 HydrophobicContact CD1-CE2 3.79Å; I77-V133 HydrophobicContact CG2-CG2 4.12Å; I77-V136 HydrophobicContact CG2-CB 4.4Å; I77-V136 HydrophobicContact CG2-CG2 4.1Å
78R97.9Very high98.4Very high155 Ų15560.5 Ų60.559%0.58531%0.308SS*.Hα-helixtrans-60.9-52.1178.5176177.4-81-165.6-2.6111.3D76 L81 A82 V136 E139D76-R78 PolarHBondContact O-N 3.03Å; R78-L81 PolarHBondContact O-N 2.78Å; R78-A82 PolarHBondContact O-N 3.49Å; R78-A82 VanDerWaalsContact O-N 3.1Å; R78-V136 HydrophobicContact CB-CG2 4.27Å; R78-E139 IonicContact CZ-OE2 3.05Å; R78-E139 IonicContact NE-OE1 3.41Å; R78-E139 PolarHBondContact NE-OE1 3.19Å; R78-E139 IonicContact NE-OE2 2.78Å; R78-E139 PolarHBondContact NE-OE2 3Å; R78-E139 IonicContact NH2-OE2 2.69Å; R78-E139 PolarHBondContact NH2-OE2 3.37Å
79G98.3Very high98.4Very high39 Ų3960.4 Ų60.440%0.40231%0.306SS..Hα-helixtrans-61.5-45.7178.300000111.9D76 L81 A82D76-G79 PolarHBondContact O-N 2.68Å; D76-G79 WeakPolarHBondContact OD1-CA 3.49Å; D76-G79 PolarHBondContact OD1-N 3.19Å; G79-L81 VanDerWaalsContact C-N 3.34Å; G79-L81 PolarHBondContact O-N 3.18Å; G79-A82 PolarHBondContact O-N 3.38Å
80A98.5Very high98.3Very high39 Ų3962.4 Ų62.432%0.32231%0.311SS..Hα-helixtrans-61.6-38.3-178.800000113.4H73 D76 I77H73-A80 HydrophobicContact CB-CB 3.58Å; D76-A80 WeakPolarHBondContact O-CB 3.34Å; D76-A80 PolarHBondContact O-N 2.96Å; D76-A80 VanDerWaalsContact O-N 3.1Å; I77-A80 PolarHBondContact O-N 2.9Å
81L98.6Very high98.3Very high5 Ų568.4 Ų68.43%0.02634%0.342CS..Hα-helixtrans-102.39.3-175.3-55.1-172.8000114.3A70 I77 R78 G79 K83 L84 S85 V133 V136 L137A70-L81 HydrophobicContact CB-CD1 4.08Å; A70-L81 HydrophobicContact CB-CD2 4.41Å; A70-L81 HydrophobicContact CB-CG 4.41Å; I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 HydrophobicContact CG2-CG 4.2Å; I77-L81 WeakPolarHBondContact O-CB 3.49Å; I77-L81 WeakPolarHBondContact O-CG 3.48Å; I77-L81 PolarHBondContact O-N 2.69Å; R78-L81 PolarHBondContact O-N 2.78Å; G79-L81 VanDerWaalsContact C-N 3.34Å; G79-L81 PolarHBondContact O-N 3.18Å; L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 3.06Å; L81-L84 HydrophobicContact CD2-CD1 4.23Å; L81-L84 WeakPolarHBondContact O-CA 3.44Å; L81-L84 PolarHBondContact O-N 3.41Å; L81-S85 PolarHBondContact O-N 3.17Å; L81-V133 HydrophobicContact CD1-CG1 3.85Å; L81-V136 HydrophobicContact CB-CG1 3.99Å; L81-L137 HydrophobicContact CB-CD2 4.21Å; L81-L137 HydrophobicContact CD1-CD2 4.23Å; L81-L137 HydrophobicContact CD1-CG 4.42Å
82A98.4Very high98.3Very high32 Ų3272 Ų7226%0.26436%0.36SS..Hα-helixtrans-53.6-43.3-173.100000113.7R78 G79 S85 E86R78-A82 PolarHBondContact O-N 3.49Å; R78-A82 VanDerWaalsContact O-N 3.1Å; G79-A82 PolarHBondContact O-N 3.38Å; A82-S85 WeakPolarHBondContact O-CB 3.36Å; A82-S85 PolarHBondContact O-N 3.41Å; A82-E86 PolarHBondContact O-N 3.2Å
83K98.4Very high98.2Very high176 Ų17673.8 Ų73.877%0.76536%0.363SS*.Hα-helixtrans-67.3-36.8177.4-66.5-176.1-179.8178.50112.5L81 E86 L87L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 3.06Å; K83-E86 PolarHBondContact O-N 3.39Å; K83-L87 WeakPolarHBondContact O-CB 3.33Å; K83-L87 PolarHBondContact O-N 2.95Å
84L98.5Very high98.2Very high55 Ų5571.1 Ų71.129%0.28835%0.352SS..Hα-helixtrans-70.8-35.6176.6-77.1176.9000111.6A66 L81 L87 H88 L137A66-L84 HydrophobicContact CB-CD1 3.53Å; L81-L84 HydrophobicContact CD2-CD1 4.23Å; L81-L84 WeakPolarHBondContact O-CA 3.44Å; L81-L84 PolarHBondContact O-N 3.41Å; L84-L87 HydrophobicContact CD2-CD2 4.03Å; L84-L87 PolarHBondContact O-N 3.43Å; L84-H88 PolarHBondContact O-N 3.35Å; L84-H88 PolarHBondContact O-ND1 3.33Å; L84-L137 HydrophobicContact CB-CD2 3.68Å
85S98.4Very high98.2Very high0 Ų074.3 Ų74.30%037%0.369CS..Hα-helixtrans-59.2-46.8173.1-1740000111.2L81 A82 H88 A89 V136L81-S85 PolarHBondContact O-N 3.17Å; A82-S85 WeakPolarHBondContact O-CB 3.36Å; A82-S85 PolarHBondContact O-N 3.41Å; S85-H88 PolarHBondContact O-N 2.86Å; S85-A89 VanDerWaalsContact O-CB 3.25Å; S85-A89 WeakPolarHBondContact O-CB 3.13Å; S85-A89 PolarHBondContact O-N 2.86Å; S85-V136 WeakPolarHBondContact CB-O 3.31Å; S85-V136 PolarHBondContact OG-O 3.38Å
86E98.3Very high98.2Very high86 Ų8670.6 Ų70.640%0.40235%0.352SS..Hα-helixtrans-62.4-45.2175.6-68.7173.9-179.700112.8A82 K83 H88 A89 Y90 K140A82-E86 PolarHBondContact O-N 3.2Å; K83-E86 PolarHBondContact O-N 3.39Å; E86-H88 VanDerWaalsContact C-N 3.35Å; E86-H88 PolarHBondContact O-N 2.9Å; E86-A89 PolarHBondContact O-N 3.27Å; E86-Y90 HydrophobicContact CB-CD2 4.11Å; E86-Y90 HydrophobicContact CB-CE2 4.3Å; E86-Y90 HydrophobicContact CG-CD2 4.38Å; E86-Y90 HydrophobicContact CG-CE2 4.09Å; E86-Y90 WeakPolarHBondContact O-CB 3.18Å; E86-Y90 PolarHBondContact O-N 2.8Å; E86-K140 HydrophobicContact CG-CD 3.63Å; E86-K140 IonicContact OE1-NZ 2.68Å; E86-K140 PolarHBondContact OE1-NZ 2.85Å
87L98.6Very high98.2Very high61 Ų6169.9 Ų69.932%0.31935%0.351SS..Iπ-helixtrans-57.1-49.5177.5175.265.1000111.1K83 L84 I91 L92K83-L87 WeakPolarHBondContact O-CB 3.33Å; K83-L87 PolarHBondContact O-N 2.95Å; L84-L87 HydrophobicContact CD2-CD2 4.03Å; L84-L87 PolarHBondContact O-N 3.43Å; L87-I91 HydrophobicContact CD1-CB 4.1Å; L87-I91 HydrophobicContact CD1-CD1 3.82Å; L87-I91 HydrophobicContact CD1-CG2 4.29Å; L87-I91 WeakPolarHBondContact O-CB 3.36Å; L87-I91 PolarHBondContact O-N 2.98Å; L87-L92 HydrophobicContact CD1-CD1 4.4Å; L87-L92 HydrophobicContact CD1-CD2 4.47Å; L87-L92 HydrophobicContact CD1-CG 4.13Å; L87-L92 HydrophobicContact CD2-CD1 4.22Å; L87-L92 HydrophobicContact CG-CD1 3.88Å; L87-L92 HydrophobicContact CG-CG 4.05Å; L87-L92 PolarHBondContact O-N 2.92Å
88H98.6Very high98.2Very high39 Ų3970 Ų7018%0.18135%0.352CS..Iπ-helixtrans-68.3-42.4-178.9-73.683.7000111.5L84 S85 E86 R93 F99 Y141L84-H88 PolarHBondContact O-N 3.35Å; L84-H88 PolarHBondContact O-ND1 3.33Å; S85-H88 PolarHBondContact O-N 2.86Å; E86-H88 VanDerWaalsContact C-N 3.35Å; E86-H88 PolarHBondContact O-N 2.9Å; H88-R93 VanDerWaalsContact O-CA 3.27Å; H88-R93 WeakPolarHBondContact O-CA 3.31Å; H88-R93 PolarHBondContact O-N 2.88Å; H88-F99 HydrophobicContact CB-CZ 4.03Å; H88-F99 AromaticContact CD2-CE1 3.87Å; H88-F99 AromaticContact CD2-CZ 3.57Å; H88-F99 AromaticContact CG-CZ 3.94Å; H88-Y141 VanDerWaalsContact C-OH 3.24Å; H88-Y141 HydrophobicContact CB-CE2 4.39Å; H88-Y141 PolarHBondContact O-OH 2.86Å
89A97.9Very high98.3Very high9 Ų963.4 Ų63.47%0.07433%0.327CS..Iπ-helixtrans-70.7-47.2-177.200000113.7S85 E86 R93 K140 Y141S85-A89 VanDerWaalsContact O-CB 3.25Å; S85-A89 WeakPolarHBondContact O-CB 3.13Å; S85-A89 PolarHBondContact O-N 2.86Å; E86-A89 PolarHBondContact O-N 3.27Å; A89-R93 WeakPolarHBondContact O-CG 3.44Å; A89-K140 HydrophobicContact CB-CB 3.8Å; A89-Y141 VanDerWaalsContact CA-CE2 3.44Å; A89-Y141 HydrophobicContact CB-CD2 3.59Å; A89-Y141 HydrophobicContact CB-CE2 3.72Å; A89-Y141 HydrophobicContact CB-CG 4.22Å
90Y97.9Very high98.2Very high130 Ų13068.8 Ų68.851%0.5134%0.34SS..Iπ-helixtrans-97.1-33.8-167.2-57-37.4000113.7E86 R93 K140E86-Y90 HydrophobicContact CB-CD2 4.11Å; E86-Y90 HydrophobicContact CB-CE2 4.3Å; E86-Y90 HydrophobicContact CG-CD2 4.38Å; E86-Y90 HydrophobicContact CG-CE2 4.09Å; E86-Y90 WeakPolarHBondContact O-CB 3.18Å; E86-Y90 PolarHBondContact O-N 2.8Å; Y90-R93 PolarHBondContact O-NE 3.39Å; Y90-R93 VanDerWaalsContact O-NE 3.1Å; Y90-K140 HydrophobicContact CE1-CB 4.44Å; Y90-K140 WeakPolarHBondContact CE1-O 3.47Å; Y90-K140 HydrophobicContact CE2-CD 4.41Å
91I98.1Very high98.3Very high126 Ų12668.3 Ų68.365%0.64633%0.332SS*.Iπ-helixtrans-101.8-59.9-173.9-58.9168.7000110.4L87L87-I91 HydrophobicContact CD1-CB 4.1Å; L87-I91 HydrophobicContact CD1-CD1 3.82Å; L87-I91 HydrophobicContact CD1-CG2 4.29Å; L87-I91 WeakPolarHBondContact O-CB 3.36Å; L87-I91 PolarHBondContact O-N 2.98Å
92L97.9Very high98.3Very high82 Ų8269.8 Ų69.843%0.42934%0.339SS..Iπ-helixtrans-77.7-31.7-173.3-54.7179.3000112.7L87 V94L87-L92 HydrophobicContact CD1-CD1 4.4Å; L87-L92 HydrophobicContact CD1-CD2 4.47Å; L87-L92 HydrophobicContact CD1-CG 4.13Å; L87-L92 HydrophobicContact CD2-CD1 4.22Å; L87-L92 HydrophobicContact CG-CD1 3.88Å; L87-L92 HydrophobicContact CG-CG 4.05Å; L87-L92 PolarHBondContact O-N 2.92Å; L92-V94 VanDerWaalsContact C-N 3.27Å; L92-V94 HydrophobicContact CB-CG2 3.98Å; L92-V94 PolarHBondContact O-N 3.42Å
93R97.6Very high98.3Very high184 Ų18468.8 Ų68.869%0.69433%0.331SS*.  trans50.445.7178-58.2178.6-176.7-168.4-0.6112.6H88 A89 Y90 D95H88-R93 VanDerWaalsContact O-CA 3.27Å; H88-R93 WeakPolarHBondContact O-CA 3.31Å; H88-R93 PolarHBondContact O-N 2.88Å; A89-R93 WeakPolarHBondContact O-CG 3.44Å; Y90-R93 PolarHBondContact O-NE 3.39Å; Y90-R93 VanDerWaalsContact O-NE 3.1Å; R93-D95 PolarHBondContact O-N 2.63Å
94V98.2Very high98.3Very high21 Ų2164.8 Ų64.813%0.12731%0.314CS..  trans-70.5126.7179178.70000109.1Y43 L92 P96 N98 F99 Y141Y43-V94 HydrophobicContact CD1-CG2 3.93Å; Y43-V94 HydrophobicContact CD2-CG1 4.49Å; Y43-V94 HydrophobicContact CE1-CB 4.22Å; Y43-V94 HydrophobicContact CE1-CG1 4.35Å; Y43-V94 HydrophobicContact CE1-CG2 4.12Å; Y43-V94 HydrophobicContact CE2-CG1 4.18Å; Y43-V94 HydrophobicContact CG-CG2 4.37Å; L92-V94 VanDerWaalsContact C-N 3.27Å; L92-V94 HydrophobicContact CB-CG2 3.98Å; L92-V94 PolarHBondContact O-N 3.42Å; V94-P96 WeakPolarHBondContact O-CD 3.36Å; V94-N98 HydrophobicContact CG1-CB 3.9Å; V94-F99 HydrophobicContact CB-CE2 4.03Å; V94-F99 HydrophobicContact CB-CZ 4.31Å; V94-F99 HydrophobicContact CG1-CD2 4.48Å; V94-F99 HydrophobicContact CG1-CE2 3.91Å; V94-F99 HydrophobicContact CG1-CZ 4.42Å; V94-Y141 PolarHBondContact N-OH 3.05Å; V94-Y141 WeakPolarHBondContact O-CE1 3.45Å; V94-Y141 PolarHBondContact O-OH 3.04Å
95D98.3Very high98.3Very high84 Ų8462.3 Ų62.345%0.44930%0.302SS..  trans-58.6128.5179.2-173.9-60000109.4Y43 R93 V97 N98Y43-D95 PolarHBondContact OH-N 3.39Å; R93-D95 PolarHBondContact O-N 2.63Å; D95-V97 HydrophobicContact CB-CG1 4.28Å; D95-V97 PolarHBondContact O-N 3.22Å; D95-V97 WeakPolarHBondContact OD1-CB 3.32Å; D95-V97 VanDerWaalsContact OD1-CG1 3.24Å; D95-V97 WeakPolarHBondContact OD1-CG1 3.44Å; D95-V97 PolarHBondContact OD1-N 3Å; D95-N98 WeakPolarHBondContact O-CB 3.45Å; D95-N98 PolarHBondContact O-N 3.28Å; D95-N98 PolarHBondContact O-ND2 3.18Å
96P98.1Very high98.3Very high53 Ų5362.6 Ų62.634%0.34430%0.303SS..THydrogen-bonded Turntrans-47.9-27.7-178.7-33.838.4000115.3V94 N98 F99 T138 Y141V94-P96 WeakPolarHBondContact O-CD 3.36Å; P96-N98 PolarHBondContact O-N 3.15Å; P96-F99 PolarHBondContact O-N 3.41Å; P96-T138 HydrophobicContact CB-CG2 3.76Å; P96-T138 HydrophobicContact CG-CG2 4.07Å; P96-Y141 HydrophobicContact CG-CD1 4.12Å; P96-Y141 HydrophobicContact CG-CE1 4.37Å; P96-Y141 HydrophobicContact CG-CG 4.36Å
97V97.8Very high98.4Very high77 Ų7758.8 Ų58.847%0.46729%0.285SS..Hα-helixtrans-60-33177.375.80000112.6D95 F99 K100D95-V97 HydrophobicContact CB-CG1 4.28Å; D95-V97 PolarHBondContact O-N 3.22Å; D95-V97 WeakPolarHBondContact OD1-CB 3.32Å; D95-V97 VanDerWaalsContact OD1-CG1 3.24Å; D95-V97 WeakPolarHBondContact OD1-CG1 3.44Å; D95-V97 PolarHBondContact OD1-N 3Å; V97-F99 VanDerWaalsContact C-N 3.29Å; V97-F99 PolarHBondContact O-N 2.75Å; V97-K100 WeakPolarHBondContact O-CB 3.33Å; V97-K100 PolarHBondContact O-N 3.01Å
98N98.6Very high98.4Very high16 Ų1657.9 Ų57.99%0.08628%0.284CS..Hα-helixtrans-70.4-24.6-174.1-62.5-65.8000113T40 Y43 V94 D95 P96 K100 L101 L102T40-N98 WeakPolarHBondContact CG2-OD1 3.44Å; Y43-N98 WeakPolarHBondContact CE2-ND2 3.33Å; Y43-N98 PolarHBondContact OH-ND2 3.4Å; V94-N98 HydrophobicContact CG1-CB 3.9Å; D95-N98 WeakPolarHBondContact O-CB 3.45Å; D95-N98 PolarHBondContact O-N 3.28Å; D95-N98 PolarHBondContact O-ND2 3.18Å; P96-N98 PolarHBondContact O-N 3.15Å; N98-K100 VanDerWaalsContact C-N 3.27Å; N98-K100 PolarHBondContact O-N 3.25Å; N98-L101 PolarHBondContact O-N 3.49Å; N98-L102 PolarHBondContact O-N 3.15Å
99F98.6Very high98.4Very high17 Ų1756 Ų568%0.07528%0.275CS..Hα-helixtrans-64.9-33.6175.1-67.4-95.3000111.8H88 V94 P96 V97 S103 L137 T138H88-F99 HydrophobicContact CB-CZ 4.03Å; H88-F99 AromaticContact CD2-CE1 3.87Å; H88-F99 AromaticContact CD2-CZ 3.57Å; H88-F99 AromaticContact CG-CZ 3.94Å; V94-F99 HydrophobicContact CB-CE2 4.03Å; V94-F99 HydrophobicContact CB-CZ 4.31Å; V94-F99 HydrophobicContact CG1-CD2 4.48Å; V94-F99 HydrophobicContact CG1-CE2 3.91Å; V94-F99 HydrophobicContact CG1-CZ 4.42Å; P96-F99 PolarHBondContact O-N 3.41Å; V97-F99 VanDerWaalsContact C-N 3.29Å; V97-F99 PolarHBondContact O-N 2.75Å; F99-S103 WeakPolarHBondContact O-CB 3.48Å; F99-S103 PolarHBondContact O-N 3.36Å; F99-S103 PolarHBondContact O-OG 3.49Å; F99-L137 HydrophobicContact CD1-CB 4.14Å; F99-L137 HydrophobicContact CD1-CD1 3.96Å; F99-L137 HydrophobicContact CE1-CB 3.66Å; F99-L137 HydrophobicContact CE1-CD1 3.7Å; F99-L137 HydrophobicContact CE1-CG 4.32Å; F99-L137 HydrophobicContact CZ-CB 4.25Å; F99-T138 HydrophobicContact CD2-CG2 3.69Å; F99-T138 HydrophobicContact CE2-CG2 3.74Å; F99-T138 HydrophobicContact CG-CG2 4.22Å; F99-T138 HydrophobicContact CZ-CG2 4.33Å
100K98Very high98.4Very high153 Ų15355.6 Ų55.667%0.66527%0.272SS*.Hα-helixtrans-68.3-39.6174.9-59.5-177.8-179.9-178.70111.5V97 N98 S103 H104V97-K100 WeakPolarHBondContact O-CB 3.33Å; V97-K100 PolarHBondContact O-N 3.01Å; N98-K100 VanDerWaalsContact C-N 3.27Å; N98-K100 PolarHBondContact O-N 3.25Å; K100-S103 PolarHBondContact O-N 3Å; K100-H104 PolarHBondContact O-N 2.87Å
101L98.8Very high98.4Very high29 Ų2951 Ų5115%0.15226%0.26CS..Hα-helixtrans-64.1-47177.9-54.8-178.2000110.8L33 Y37 T40 N98 H104 C105L33-L101 HydrophobicContact CD1-CB 3.64Å; Y37-L101 HydrophobicContact CD1-CD1 4.1Å; Y37-L101 HydrophobicContact CD1-CD2 3.98Å; Y37-L101 HydrophobicContact CD2-CB 4.09Å; Y37-L101 HydrophobicContact CE1-CD2 3.82Å; Y37-L101 HydrophobicContact CE2-CB 4.29Å; Y37-L101 HydrophobicContact CE2-CD2 4.43Å; Y37-L101 HydrophobicContact CG-CB 4.32Å; Y37-L101 HydrophobicContact CG-CD1 3.98Å; Y37-L101 HydrophobicContact CG-CD2 4.34Å; Y37-L101 HydrophobicContact CG-CG 4.45Å; T40-L101 HydrophobicContact CG2-CD1 3.98Å; N98-L101 PolarHBondContact O-N 3.49Å; L101-H104 PolarHBondContact O-N 2.79Å; L101-C105 PolarHBondContact O-N 3.38Å; L101-C105 PolarHBondContact O-SG 2.93Å; L101-C105 VanDerWaalsContact O-SG 3.38Å
102L98.8Very high98.4Very high35 Ų3548 Ų4818%0.18325%0.254CS..Hα-helixtrans-63.8-42.8175.8178.157.9000111.7L30 L33 V63 N98 H104 C105 I106L30-L102 HydrophobicContact CD2-CD1 4.1Å; L33-L102 HydrophobicContact CD1-CB 4.43Å; L33-L102 HydrophobicContact CD2-CB 4.26Å; L33-L102 HydrophobicContact CD2-CD1 4.19Å; V63-L102 HydrophobicContact CG1-CD2 4.24Å; N98-L102 PolarHBondContact O-N 3.15Å; L102-H104 VanDerWaalsContact C-N 3.3Å; L102-H104 PolarHBondContact O-N 2.96Å; L102-C105 PolarHBondContact O-N 3.49Å; L102-C105 VanDerWaalsContact O-N 3.15Å; L102-I106 HydrophobicContact CD1-CD1 4.12Å; L102-I106 HydrophobicContact CD1-CG1 4.22Å; L102-I106 HydrophobicContact CG-CD1 3.9Å; L102-I106 HydrophobicContact CG-CG1 4.48Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 3.08Å
103S98.8Very high98.4Very high12 Ų1248.3 Ų48.38%0.08425%0.25CC..Hα-helixtrans-56.4-45.4176.1-62.60000111.3F99 K100 C105 I106 L107 S134F99-S103 WeakPolarHBondContact O-CB 3.48Å; F99-S103 PolarHBondContact O-N 3.36Å; F99-S103 PolarHBondContact O-OG 3.49Å; K100-S103 PolarHBondContact O-N 3Å; S103-C105 PolarHBondContact O-N 3.28Å; S103-I106 PolarHBondContact O-N 2.92Å; S103-L107 WeakPolarHBondContact O-CG 3.37Å; S103-L107 PolarHBondContact O-N 3.36Å; S103-S134 PolarHBondContact OG-OG 2.91Å
104H98.8Very high98.4Very high92 Ų9240.7 Ų40.743%0.42622%0.221SC..Hα-helixtrans-60.2-45.6175.2-179.363.4000112.5Y37 K100 L101 L102 I106 L107 C108Y37-H104 PolarHBondContact OH-CD2 3.48Å; K100-H104 PolarHBondContact O-N 2.87Å; L101-H104 PolarHBondContact O-N 2.79Å; L102-H104 VanDerWaalsContact C-N 3.3Å; L102-H104 PolarHBondContact O-N 2.96Å; H104-I106 VanDerWaalsContact C-N 3.29Å; H104-I106 PolarHBondContact O-N 3Å; H104-L107 WeakPolarHBondContact O-CB 3.47Å; H104-L107 PolarHBondContact O-N 3.2Å; H104-C108 PolarHBondContact O-N 3.39Å; H104-C108 PolarHBondContact O-SG 3.08Å; H104-C108 VanDerWaalsContact O-SG 3.39Å
105C98.9Very high98.3Very high3 Ų344.4 Ų44.42%0.0225%0.246CC..Hα-helixtrans-63.5-33.1177.6-66.80000113.2S29 R32 L33 L101 L102 S103 S109S29-C105 WeakPolarHBondContact O-CB 3.26Å; R32-C105 HydrophobicContact CB-CB 4.08Å; L33-C105 VanDerWaalsContact CA-SG 3.56Å; L33-C105 HydrophobicContact CB-CB 4.47Å; L101-C105 PolarHBondContact O-N 3.38Å; L101-C105 PolarHBondContact O-SG 2.93Å; L101-C105 VanDerWaalsContact O-SG 3.38Å; L102-C105 PolarHBondContact O-N 3.49Å; L102-C105 VanDerWaalsContact O-N 3.15Å; S103-C105 PolarHBondContact O-N 3.28Å; C105-S109 WeakPolarHBondContact O-CB 3.26Å; C105-S109 PolarHBondContact O-N 2.89Å; C105-S109 PolarHBondContact O-OG 2.95Å
106I98.8Very high98.2Very high5 Ų545.9 Ų45.93%0.02626%0.258CS..Hα-helixtrans-66-47.5172.9-68.2161000110.4S29 I67 L102 S103 H104 C108 S109 V110 L130S29-I106 WeakPolarHBondContact OG-CA 3.48Å; I67-I106 HydrophobicContact CD1-CD1 3.6Å; L102-I106 HydrophobicContact CD1-CD1 4.12Å; L102-I106 HydrophobicContact CD1-CG1 4.22Å; L102-I106 HydrophobicContact CG-CD1 3.9Å; L102-I106 HydrophobicContact CG-CG1 4.48Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 3.08Å; S103-I106 PolarHBondContact O-N 2.92Å; H104-I106 VanDerWaalsContact C-N 3.29Å; H104-I106 PolarHBondContact O-N 3Å; I106-C108 VanDerWaalsContact C-N 3.31Å; I106-C108 PolarHBondContact O-N 2.95Å; I106-S109 PolarHBondContact O-N 2.96Å; I106-V110 HydrophobicContact CG2-CG2 4.4Å; I106-V110 WeakPolarHBondContact O-CG2 3.18Å; I106-V110 PolarHBondContact O-N 3.41Å; I106-V110 VanDerWaalsContact O-N 3.07Å; I106-L130 HydrophobicContact CB-CD1 4.31Å; I106-L130 HydrophobicContact CG2-CD1 4.1Å
107L98.8Very high98.2Very high6 Ų646 Ų463%0.03125%0.254CS..Hα-helixtrans-55.7-46.9176-65.7169.6000110.9S103 H104 V110 A111 F118 W126 D127 L130S103-L107 WeakPolarHBondContact O-CG 3.37Å; S103-L107 PolarHBondContact O-N 3.36Å; H104-L107 WeakPolarHBondContact O-CB 3.47Å; H104-L107 PolarHBondContact O-N 3.2Å; L107-V110 PolarHBondContact O-N 2.94Å; L107-A111 VanDerWaalsContact O-CB 3.27Å; L107-A111 WeakPolarHBondContact O-CB 3.47Å; L107-A111 PolarHBondContact O-N 3.36Å; L107-F118 HydrophobicContact CD2-CZ 3.91Å; L107-W126 HydrophobicContact CD2-CB 4.24Å; L107-W126 HydrophobicContact CD2-CE3 3.96Å; L107-D127 HydrophobicContact CD1-CB 3.97Å; L107-D127 HydrophobicContact CD2-CB 4.48Å; L107-L130 HydrophobicContact CD2-CD1 3.89Å; L107-L130 HydrophobicContact CG-CD1 3.93Å
108C98.7Very high98.2Very high43 Ų4343.6 Ų43.629%0.29124%0.237SC..Hα-helixtrans-61.4-45.2177.2-68.10000113.2H104 I106 V110 A111 A112H104-C108 PolarHBondContact O-N 3.39Å; H104-C108 PolarHBondContact O-SG 3.08Å; H104-C108 VanDerWaalsContact O-SG 3.39Å; I106-C108 VanDerWaalsContact C-N 3.31Å; I106-C108 PolarHBondContact O-N 2.95Å; C108-V110 VanDerWaalsContact C-N 3.25Å; C108-V110 PolarHBondContact O-N 3.39Å; C108-A111 PolarHBondContact O-N 2.91Å; C108-A112 WeakPolarHBondContact O-CB 3.03Å; C108-A112 PolarHBondContact O-N 2.84Å
109S98.4Very high98.2Very high0 Ų045.3 Ų45.30%025%0.249CC..Hα-helixtrans-63.4-35.4-178-57.50000111.8S29 R32 C105 I106 R113S29-S109 WeakPolarHBondContact CA-OG 3.37Å; S29-S109 PolarHBondContact N-OG 3.47Å; S29-S109 WeakPolarHBondContact OG-CB 3.25Å; S29-S109 PolarHBondContact OG-OG 3.45Å; S29-S109 VanDerWaalsContact OG-OG 3.08Å; R32-S109 WeakPolarHBondContact CD-OG 3.42Å; R32-S109 PolarHBondContact NE-OG 3.39Å; C105-S109 WeakPolarHBondContact O-CB 3.26Å; C105-S109 PolarHBondContact O-N 2.89Å; C105-S109 PolarHBondContact O-OG 2.95Å; I106-S109 PolarHBondContact O-N 2.96Å; S109-R113 WeakPolarHBondContact O-CG 3.39Å; S109-R113 PolarHBondContact O-N 3.2Å
110V98.4Very high98.2Very high0 Ų049.2 Ų49.20%028%0.275CS..Hα-helixtrans-81.6-42-178.9178.50000110.5I14 V18 I25 I106 L107 C108 A112 R113 Y114 F118 W126I14-V110 HydrophobicContact CD1-CG1 4.49Å; I14-V110 HydrophobicContact CG1-CG1 4.26Å; V18-V110 HydrophobicContact CG2-CG1 3.75Å; V18-V110 HydrophobicContact CG2-CG2 4.25Å; I25-V110 HydrophobicContact CG2-CG2 3.85Å; I106-V110 HydrophobicContact CG2-CG2 4.4Å; I106-V110 WeakPolarHBondContact O-CG2 3.18Å; I106-V110 PolarHBondContact O-N 3.41Å; I106-V110 VanDerWaalsContact O-N 3.07Å; L107-V110 PolarHBondContact O-N 2.94Å; C108-V110 VanDerWaalsContact C-N 3.25Å; C108-V110 PolarHBondContact O-N 3.39Å; V110-A112 PolarHBondContact O-N 2.79Å; V110-R113 PolarHBondContact O-N 3.3Å; V110-Y114 HydrophobicContact CG1-CD2 3.6Å; V110-Y114 HydrophobicContact CG1-CE2 4.21Å; V110-Y114 PolarHBondContact O-N 3.02Å; V110-F118 HydrophobicContact CG1-CD2 4.23Å; V110-F118 HydrophobicContact CG1-CE2 4.48Å; V110-W126 HydrophobicContact CB-CH2 3.63Å; V110-W126 HydrophobicContact CB-CZ3 3.29Å; V110-W126 HydrophobicContact CG1-CE3 4.38Å; V110-W126 HydrophobicContact CG1-CH2 3.35Å; V110-W126 HydrophobicContact CG1-CZ3 3.22Å; V110-W126 HydrophobicContact CG2-CH2 3.23Å; V110-W126 HydrophobicContact CG2-CZ3 3.33Å
111A98.4Very high98.2Very high33 Ų3348.2 Ų48.227%0.27327%0.273SS..Hα-helixtrans-55.1-40.1173.900000111.4L107 C108 R113 F118L107-A111 VanDerWaalsContact O-CB 3.27Å; L107-A111 WeakPolarHBondContact O-CB 3.47Å; L107-A111 PolarHBondContact O-N 3.36Å; C108-A111 PolarHBondContact O-N 2.91Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 3.09Å; A111-F118 HydrophobicContact CB-CD1 3.39Å; A111-F118 HydrophobicContact CB-CE1 3.75Å; A111-F118 HydrophobicContact CB-CG 4.04Å
112A98.1Very high98.1Very high63 Ų6347.9 Ų47.952%0.52127%0.272SS..Hα-helixtrans-65.7-30.4177.100000113.5C108 V110C108-A112 WeakPolarHBondContact O-CB 3.03Å; C108-A112 PolarHBondContact O-N 2.84Å; V110-A112 PolarHBondContact O-N 2.79Å
113R97.1Very high98.1Very high88 Ų8850.3 Ų50.333%0.33228%0.283SS..Hα-helixtrans-92.2-30.1-177.6-71.8176.1-169.7-95.9-1.1114.1I25 E28 S109 V110 A111 P115I25-R113 VanDerWaalsContact CG1-CD 3.44Å; E28-R113 IonicContact OE2-CZ 3.83Å; E28-R113 IonicContact OE2-NE 2.94Å; E28-R113 PolarHBondContact OE2-NE 3.24Å; E28-R113 IonicContact OE2-NH2 2.74Å; E28-R113 PolarHBondContact OE2-NH2 3.16Å; S109-R113 WeakPolarHBondContact O-CG 3.39Å; S109-R113 PolarHBondContact O-N 3.2Å; V110-R113 PolarHBondContact O-N 3.3Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 3.09Å; R113-P115 WeakPolarHBondContact O-CD 3.38Å
114Y97.4Very high98.1Very high24 Ų2452.5 Ų52.59%0.09430%0.301CS..  trans-12757.4-176.1-52.5-77.7000111.1I14 K17 V18 I25 V110 T116 E117 F118I14-Y114 HydrophobicContact CD1-CG 4.48Å; K17-Y114 HydrophobicContact CB-CD1 4.24Å; K17-Y114 HydrophobicContact CB-CE1 3.83Å; K17-Y114 HydrophobicContact CD-CD1 4.42Å; K17-Y114 PolarHBondContact O-OH 3.24Å; K17-Y114 VanDerWaalsContact O-OH 3.07Å; V18-Y114 HydrophobicContact CG2-CD2 4.36Å; V18-Y114 HydrophobicContact CG2-CE2 3.9Å; I25-Y114 HydrophobicContact CD1-CE2 3.89Å; V110-Y114 HydrophobicContact CG1-CD2 3.6Å; V110-Y114 HydrophobicContact CG1-CE2 4.21Å; V110-Y114 PolarHBondContact O-N 3.02Å; Y114-T116 PolarHBondContact O-N 3.31Å; Y114-T116 VanDerWaalsContact O-N 3.17Å; Y114-E117 PolarHBondContact O-N 2.93Å; Y114-E117 VanDerWaalsContact O-N 3.15Å; Y114-F118 WeakPolarHBondContact O-CB 3.39Å; Y114-F118 PolarHBondContact O-N 3.04Å
115P96.5Very high98.1Very high99 Ų9948.2 Ų48.264%0.64328%0.282SS*.THydrogen-bonded Turntrans-62.5-26.7-172.726.2-35.9000113.3R113R113-P115 WeakPolarHBondContact O-CD 3.38Å
116T97.5Very high98.1Very high115 Ų11548.1 Ų48.171%0.70628%0.281SS*.THydrogen-bonded Turntrans-77.1-37.9176.529.40000113.1Y114Y114-T116 PolarHBondContact O-N 3.31Å; Y114-T116 VanDerWaalsContact O-N 3.17Å
117E97.1Very high98.1Very high57 Ų5751.3 Ų51.327%0.26630%0.298SS..THydrogen-bonded Turntrans-88.1-22.1-178.1-63.688.2158.700112.9I14 K17 Y114 T119 V122I14-E117 HydrophobicContact CD1-CB 3.83Å; K17-E117 HydrophobicContact CD-CB 4.43Å; K17-E117 HydrophobicContact CD-CG 3.8Å; K17-E117 WeakPolarHBondContact CE-OE1 3.4Å; K17-E117 IonicContact NZ-OE1 2.63Å; K17-E117 PolarHBondContact NZ-OE1 3.19Å; Y114-E117 PolarHBondContact O-N 2.93Å; Y114-E117 VanDerWaalsContact O-N 3.15Å; E117-T119 PolarHBondContact O-N 3.31Å; E117-V122 WeakPolarHBondContact O-CG2 3.46Å
118F97.4Very high98.1Very high25 Ų2553.1 Ų53.111%0.1131%0.306CS..  trans-83.259.8-179.5-152.7-108.1000111.9L107 V110 A111 Y114 V122 H123 W126L107-F118 HydrophobicContact CD2-CZ 3.91Å; V110-F118 HydrophobicContact CG1-CD2 4.23Å; V110-F118 HydrophobicContact CG1-CE2 4.48Å; A111-F118 HydrophobicContact CB-CD1 3.39Å; A111-F118 HydrophobicContact CB-CE1 3.75Å; A111-F118 HydrophobicContact CB-CG 4.04Å; Y114-F118 WeakPolarHBondContact O-CB 3.39Å; Y114-F118 PolarHBondContact O-N 3.04Å; F118-V122 HydrophobicContact CD2-CG1 3.97Å; F118-V122 HydrophobicContact CE2-CG1 4.17Å; F118-H123 HydrophobicContact CD1-CB 4.21Å; F118-H123 HydrophobicContact CE1-CB 3.63Å; F118-H123 AromaticContact CE1-CD2 3.87Å; F118-H123 AromaticContact CE1-CG 3.65Å; F118-H123 HydrophobicContact CZ-CB 3.84Å; F118-H123 AromaticContact CZ-CD2 3.91Å; F118-H123 AromaticContact CZ-CG 3.99Å; F118-W126 HydrophobicContact CD2-CE3 4.41Å; F118-W126 HydrophobicContact CD2-CZ3 4.49Å; F118-W126 HydrophobicContact CE2-CD2 4.44Å; F118-W126 AromaticContact CE2-CE3 3.41Å; F118-W126 HydrophobicContact CE2-CE3 3.41Å; F118-W126 VanDerWaalsContact CE2-CE3 3.41Å; F118-W126 AromaticContact CE2-CZ3 3.79Å; F118-W126 HydrophobicContact CE2-CZ3 3.79Å; F118-W126 HydrophobicContact CZ-CE3 4.04Å
119T98.4Very high98.1Very high53 Ų5351.1 Ų51.133%0.32529%0.292SS..  trans-66.7165.7177.880.50000111.4E117 E121 V122 H123E117-T119 PolarHBondContact O-N 3.31Å; T119-E121 WeakPolarHBondContact CB-OE2 3.43Å; T119-E121 PolarHBondContact O-N 3.33Å; T119-E121 PolarHBondContact OG1-N 3.4Å; T119-E121 PolarHBondContact OG1-OE2 3.32Å; T119-V122 PolarHBondContact O-N 3.34Å; T119-V122 PolarHBondContact OG1-N 3.1Å; T119-H123 WeakPolarHBondContact O-CB 3.28Å; T119-H123 PolarHBondContact O-N 2.68Å
120P98.4Very high98.1Very high98 Ų9851.2 Ų51.264%0.63629%0.293SS*.Hα-helixtrans-54.5-37.3175.6-27.537000113.8H123 A124P120-H123 PolarHBondContact O-N 2.92Å; P120-A124 WeakPolarHBondContact O-CB 3.43Å; P120-A124 PolarHBondContact O-N 3.33Å
121E98Very high98.1Very high133 Ų13354.1 Ų54.162%0.62131%0.313SS*.Hα-helixtrans-69.5-43.4178.8-57.471.7-153.900111.4T119 A124 A125T119-E121 WeakPolarHBondContact CB-OE2 3.43Å; T119-E121 PolarHBondContact O-N 3.33Å; T119-E121 PolarHBondContact OG1-N 3.4Å; T119-E121 PolarHBondContact OG1-OE2 3.32Å; E121-A124 PolarHBondContact O-N 2.96Å; E121-A125 WeakPolarHBondContact O-CB 3.27Å; E121-A125 PolarHBondContact O-N 2.92Å
122V98.4Very high98.1Very high21 Ų2153.5 Ų53.513%0.12731%0.307CS..Hα-helixtrans-64.4-43.1175.3173.60000110.2A10 I14 E117 F118 T119 A125 W126A10-V122 HydrophobicContact CB-CG2 4.42Å; I14-V122 HydrophobicContact CB-CG1 3.84Å; I14-V122 HydrophobicContact CG1-CG1 4.05Å; I14-V122 HydrophobicContact CG2-CG1 3.94Å; E117-V122 WeakPolarHBondContact O-CG2 3.46Å; F118-V122 HydrophobicContact CD2-CG1 3.97Å; F118-V122 HydrophobicContact CE2-CG1 4.17Å; T119-V122 PolarHBondContact O-N 3.34Å; T119-V122 PolarHBondContact OG1-N 3.1Å; V122-A125 PolarHBondContact O-N 3.02Å; V122-W126 WeakPolarHBondContact O-CB 3.45Å; V122-W126 PolarHBondContact O-N 3.38Å
123H98.6Very high98.1Very high87 Ų8751.1 Ų51.140%0.40329%0.285SS..Hα-helixtrans-57.8-52.1175.7-179.7-171.5000111.2F118 T119 P120 A125 W126 D127F118-H123 HydrophobicContact CD1-CB 4.21Å; F118-H123 HydrophobicContact CE1-CB 3.63Å; F118-H123 AromaticContact CE1-CD2 3.87Å; F118-H123 AromaticContact CE1-CG 3.65Å; F118-H123 HydrophobicContact CZ-CB 3.84Å; F118-H123 AromaticContact CZ-CD2 3.91Å; F118-H123 AromaticContact CZ-CG 3.99Å; T119-H123 WeakPolarHBondContact O-CB 3.28Å; T119-H123 PolarHBondContact O-N 2.68Å; P120-H123 PolarHBondContact O-N 2.92Å; H123-A125 PolarHBondContact O-N 3.06Å; H123-W126 PolarHBondContact O-N 3.23Å; H123-D127 WeakPolarHBondContact O-CB 3.32Å; H123-D127 PolarHBondContact O-N 3.42Å
124A98.5Very high98.2Very high58 Ų5847.6 Ų47.648%0.47927%0.274SS..Hα-helixtrans-60.1-44.1179.300000112.4P120 E121 W126 K128P120-A124 WeakPolarHBondContact O-CB 3.43Å; P120-A124 PolarHBondContact O-N 3.33Å; E121-A124 PolarHBondContact O-N 2.96Å; A124-W126 VanDerWaalsContact C-N 3.31Å; A124-W126 PolarHBondContact O-N 3.41Å; A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 PolarHBondContact O-N 3.39Å; A124-K128 VanDerWaalsContact O-N 3.13Å
125A98.7Very high98.2Very high2 Ų250 Ų502%0.01730%0.295CS..Hα-helixtrans-61.8-40.817800000111.9E7 A10 V11 E121 V122 H123 F129E7-A125 HydrophobicContact CB-CB 3.88Å; E7-A125 HydrophobicContact CG-CB 3.98Å; A10-A125 HydrophobicContact CB-CB 3.95Å; V11-A125 HydrophobicContact CG2-CB 4.25Å; E121-A125 WeakPolarHBondContact O-CB 3.27Å; E121-A125 PolarHBondContact O-N 2.92Å; V122-A125 PolarHBondContact O-N 3.02Å; H123-A125 PolarHBondContact O-N 3.06Å; A125-F129 WeakPolarHBondContact O-CB 3.49Å; A125-F129 PolarHBondContact O-N 3.43Å
126W98.4Very high98.3Very high1 Ų146 Ų460%0.00427%0.269CS..Hα-helixtrans-80.8-35.3-174.9-140.126.3000113.6I14 W15 V18 L107 V110 F118 V122 H123 A124 K128 F129 L130I14-W126 HydrophobicContact CG1-CH2 4.37Å; I14-W126 HydrophobicContact CG2-CD2 3.94Å; I14-W126 HydrophobicContact CG2-CG 4.25Å; I14-W126 HydrophobicContact CG2-CZ2 3.99Å; W15-W126 HydrophobicContact CE3-CZ2 4.49Å; V18-W126 HydrophobicContact CB-CH2 4.44Å; V18-W126 HydrophobicContact CB-CZ2 4.46Å; V18-W126 HydrophobicContact CG1-CH2 4.35Å; V18-W126 HydrophobicContact CG1-CZ2 4.41Å; V18-W126 HydrophobicContact CG2-CH2 3.5Å; V18-W126 VanDerWaalsContact CG2-CH2 3.5Å; V18-W126 HydrophobicContact CG2-CZ2 3.83Å; L107-W126 HydrophobicContact CD2-CB 4.24Å; L107-W126 HydrophobicContact CD2-CE3 3.96Å; V110-W126 HydrophobicContact CB-CH2 3.63Å; V110-W126 HydrophobicContact CB-CZ3 3.29Å; V110-W126 HydrophobicContact CG1-CE3 4.38Å; V110-W126 HydrophobicContact CG1-CH2 3.35Å; V110-W126 HydrophobicContact CG1-CZ3 3.22Å; V110-W126 HydrophobicContact CG2-CH2 3.23Å; V110-W126 HydrophobicContact CG2-CZ3 3.33Å; F118-W126 HydrophobicContact CD2-CE3 4.41Å; F118-W126 HydrophobicContact CD2-CZ3 4.49Å; F118-W126 HydrophobicContact CE2-CD2 4.44Å; F118-W126 AromaticContact CE2-CE3 3.41Å; F118-W126 HydrophobicContact CE2-CE3 3.41Å; F118-W126 VanDerWaalsContact CE2-CE3 3.41Å; F118-W126 AromaticContact CE2-CZ3 3.79Å; F118-W126 HydrophobicContact CE2-CZ3 3.79Å; F118-W126 HydrophobicContact CZ-CE3 4.04Å; V122-W126 WeakPolarHBondContact O-CB 3.45Å; V122-W126 PolarHBondContact O-N 3.38Å; H123-W126 PolarHBondContact O-N 3.23Å; A124-W126 VanDerWaalsContact C-N 3.31Å; A124-W126 PolarHBondContact O-N 3.41Å; W126-K128 VanDerWaalsContact C-N 3.31Å; W126-K128 PolarHBondContact O-N 3.19Å; W126-F129 AromaticContact CD1-CD1 3.66Å; W126-F129 AromaticContact NE1-CD1 4Å; W126-F129 PolarHBondContact O-N 3.01Å; W126-L130 WeakPolarHBondContact O-CG 3.3Å; W126-L130 PolarHBondContact O-N 3.27Å
127D98.8Very high98.4Very high72 Ų7241.4 Ų41.439%0.38524%0.24SC..Hα-helixtrans-58.7-44.4168.8178.266.5000111.1L107 H123 F129 L130 S131L107-D127 HydrophobicContact CD1-CB 3.97Å; L107-D127 HydrophobicContact CD2-CB 4.48Å; H123-D127 WeakPolarHBondContact O-CB 3.32Å; H123-D127 PolarHBondContact O-N 3.42Å; D127-F129 VanDerWaalsContact C-N 3.35Å; D127-F129 PolarHBondContact O-N 2.75Å; D127-L130 PolarHBondContact O-N 2.87Å; D127-S131 VanDerWaalsContact O-CB 3.31Å; D127-S131 WeakPolarHBondContact O-CB 3.26Å; D127-S131 PolarHBondContact O-N 3.22Å; D127-S131 PolarHBondContact O-OG 3.38Å
128K98.7Very high98.4Very high44 Ų4440.3 Ų40.319%0.19124%0.237CC..Hα-helixtrans-64.3-38175.5-171.6177.6177.2-171.50112.7T2 L3 E7 A124 W126 S132T2-K128 WeakPolarHBondContact O-CE 3.47Å; T2-K128 PolarHBondContact O-NZ 3.3Å; L3-K128 HydrophobicContact CD2-CB 4.11Å; L3-K128 HydrophobicContact CD2-CD 3.98Å; L3-K128 HydrophobicContact CD2-CG 3.9Å; E7-K128 VanDerWaalsContact CD-NZ 3.26Å; E7-K128 VanDerWaalsContact OE1-CD 3.25Å; E7-K128 WeakPolarHBondContact OE1-CD 2.99Å; E7-K128 IonicContact OE1-NZ 3.1Å; E7-K128 PolarHBondContact OE1-NZ 2.9Å; E7-K128 IonicContact OE2-NZ 2.61Å; E7-K128 PolarHBondContact OE2-NZ 3.46Å; A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 PolarHBondContact O-N 3.39Å; A124-K128 VanDerWaalsContact O-N 3.13Å; W126-K128 VanDerWaalsContact C-N 3.31Å; W126-K128 PolarHBondContact O-N 3.19Å; K128-S132 PolarHBondContact O-N 2.76Å; K128-S132 PolarHBondContact O-OG 3.47Å
129F98.8Very high98.4Very high0 Ų041.9 Ų41.90%024%0.244CC..Hα-helixtrans-65.5-49.2174.3166.6-103.5000112L3 V11 I67 A70 V71 I74 I77 A125 W126 D127 S131 S132 V133L3-F129 HydrophobicContact CD1-CB 4.06Å; L3-F129 HydrophobicContact CD1-CD2 3.91Å; L3-F129 HydrophobicContact CD1-CG 4.48Å; L3-F129 HydrophobicContact CD2-CB 4.27Å; V11-F129 HydrophobicContact CG1-CB 4.38Å; V11-F129 HydrophobicContact CG1-CD1 3.96Å; V11-F129 HydrophobicContact CG1-CD2 4.09Å; V11-F129 HydrophobicContact CG1-CE1 4.23Å; V11-F129 HydrophobicContact CG1-CE2 4.37Å; V11-F129 HydrophobicContact CG1-CG 3.87Å; V11-F129 HydrophobicContact CG1-CZ 4.44Å; V11-F129 HydrophobicContact CG2-CB 3.78Å; V11-F129 HydrophobicContact CG2-CG 4.2Å; I67-F129 HydrophobicContact CG2-CE1 3.98Å; A70-F129 HydrophobicContact CB-CE2 4.15Å; A70-F129 HydrophobicContact CB-CZ 3.79Å; V71-F129 HydrophobicContact CB-CZ 4.42Å; V71-F129 HydrophobicContact CG2-CE1 3.77Å; V71-F129 HydrophobicContact CG2-CE2 4.22Å; V71-F129 HydrophobicContact CG2-CZ 3.45Å; V71-F129 VanDerWaalsContact CG2-CZ 3.45Å; I74-F129 HydrophobicContact CD1-CD2 4.25Å; I74-F129 HydrophobicContact CD1-CE2 4.42Å; I74-F129 HydrophobicContact CG1-CD2 4.29Å; I74-F129 HydrophobicContact CG1-CE2 4.28Å; I77-F129 HydrophobicContact CD1-CD2 3.99Å; I77-F129 HydrophobicContact CD1-CE2 3.79Å; A125-F129 WeakPolarHBondContact O-CB 3.49Å; A125-F129 PolarHBondContact O-N 3.43Å; W126-F129 AromaticContact CD1-CD1 3.66Å; W126-F129 AromaticContact NE1-CD1 4Å; W126-F129 PolarHBondContact O-N 3.01Å; D127-F129 VanDerWaalsContact C-N 3.35Å; D127-F129 PolarHBondContact O-N 2.75Å; F129-S131 VanDerWaalsContact C-N 3.27Å; F129-S131 PolarHBondContact O-N 3.1Å; F129-S132 WeakPolarHBondContact O-CA 3.42Å; F129-S132 WeakPolarHBondContact O-CB 3.38Å; F129-S132 PolarHBondContact O-N 3.18Å; F129-V133 HydrophobicContact CD2-CG2 4.44Å; F129-V133 HydrophobicContact CE1-CG2 4.16Å; F129-V133 HydrophobicContact CE2-CG2 3.99Å; F129-V133 HydrophobicContact CZ-CG2 3.83Å; F129-V133 PolarHBondContact O-N 2.95Å
130L98.8Very high98.3Very high3 Ų341.8 Ų41.82%0.01624%0.24CC..Hα-helixtrans-63.6-33.3177.3-68.7176.1000112.3I67 I106 L107 W126 D127 S132 V133 S134I67-L130 HydrophobicContact CD1-CD2 4.29Å; I106-L130 HydrophobicContact CB-CD1 4.31Å; I106-L130 HydrophobicContact CG2-CD1 4.1Å; L107-L130 HydrophobicContact CD2-CD1 3.89Å; L107-L130 HydrophobicContact CG-CD1 3.93Å; W126-L130 WeakPolarHBondContact O-CG 3.3Å; W126-L130 PolarHBondContact O-N 3.27Å; D127-L130 PolarHBondContact O-N 2.87Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-V133 PolarHBondContact O-N 3.27Å; L130-S134 WeakPolarHBondContact O-CB 3.48Å; L130-S134 PolarHBondContact O-N 3.08Å; L130-S134 PolarHBondContact O-OG 3.41Å
131S98.5Very high98.2Very high61 Ų6139.9 Ų39.943%0.42722%0.22SC..Hα-helixtrans-63.1-38.6170.1-69.40000112.2D127 F129 S135D127-S131 VanDerWaalsContact O-CB 3.31Å; D127-S131 WeakPolarHBondContact O-CB 3.26Å; D127-S131 PolarHBondContact O-N 3.22Å; D127-S131 PolarHBondContact O-OG 3.38Å; F129-S131 VanDerWaalsContact C-N 3.27Å; F129-S131 PolarHBondContact O-N 3.1Å; S131-S135 WeakPolarHBondContact O-CB 3.46Å; S131-S135 PolarHBondContact O-N 3.15Å
132S98.4Very high97.8Very high20 Ų2048 Ų4814%0.1425%0.245CC..Hα-helixtrans-68.9-42.8176.1-57.20000111.7M1 K128 F129 L130 S135 V136M1-S132 PolarHBondContact O-OG 3.29Å; K128-S132 PolarHBondContact O-N 2.76Å; K128-S132 PolarHBondContact O-OG 3.47Å; F129-S132 WeakPolarHBondContact O-CA 3.42Å; F129-S132 WeakPolarHBondContact O-CB 3.38Å; F129-S132 PolarHBondContact O-N 3.18Å; L130-S132 VanDerWaalsContact C-N 3.33Å; S132-S135 WeakPolarHBondContact O-CB 3.31Å; S132-S135 PolarHBondContact O-N 2.9Å; S132-V136 WeakPolarHBondContact O-CG2 3.43Å; S132-V136 PolarHBondContact O-N 3.35Å
133V98.6Very high97.7Very high12 Ų1249.4 Ų49.47%0.07325%0.251CS..Hα-helixtrans-58.4-49.2172.3170.80000110.8A70 I77 L81 F129 L130 S135 V136 L137A70-V133 HydrophobicContact CB-CG2 3.87Å; I77-V133 HydrophobicContact CG2-CG2 4.12Å; L81-V133 HydrophobicContact CD1-CG1 3.85Å; F129-V133 HydrophobicContact CD2-CG2 4.44Å; F129-V133 HydrophobicContact CE1-CG2 4.16Å; F129-V133 HydrophobicContact CE2-CG2 3.99Å; F129-V133 HydrophobicContact CZ-CG2 3.83Å; F129-V133 PolarHBondContact O-N 2.95Å; L130-V133 PolarHBondContact O-N 3.27Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 3.23Å; V133-V136 PolarHBondContact O-N 3.2Å; V133-L137 HydrophobicContact CG1-CD1 3.99Å; V133-L137 HydrophobicContact CG1-CG 4.41Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 2.79Å
134S98.4Very high97.7Very high14 Ų1447.4 Ų47.410%0.09824%0.243CC..Hα-helixtrans-58.9-44.9177.9-62.10000111.5S103 L130 V136 L137 T138S103-S134 PolarHBondContact OG-OG 2.91Å; L130-S134 WeakPolarHBondContact O-CB 3.48Å; L130-S134 PolarHBondContact O-N 3.08Å; L130-S134 PolarHBondContact O-OG 3.41Å; S134-V136 VanDerWaalsContact C-N 3.33Å; S134-V136 PolarHBondContact O-N 3.41Å; S134-L137 PolarHBondContact O-N 3.29Å; S134-T138 WeakPolarHBondContact O-CG2 3.34Å; S134-T138 PolarHBondContact O-N 2.93Å; S134-T138 PolarHBondContact O-OG1 2.91Å
135S98Very high97.6Very high75 Ų7546.8 Ų46.852%0.52423%0.23SC..Hα-helixtrans-56.6-46.3176.4-1730000111.7S131 S132 V133 T138 E139S131-S135 WeakPolarHBondContact O-CB 3.46Å; S131-S135 PolarHBondContact O-N 3.15Å; S132-S135 WeakPolarHBondContact O-CB 3.31Å; S132-S135 PolarHBondContact O-N 2.9Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 3.23Å; S135-T138 PolarHBondContact O-N 2.94Å; S135-T138 PolarHBondContact O-OG1 3.29Å; S135-E139 PolarHBondContact O-N 3.05Å; S135-E139 VanDerWaalsContact O-N 3.09Å
136V98.3Very high97.6Very high16 Ų1649.5 Ų49.510%0.09724%0.243CC..Hα-helixtrans-63.7-44.3177.71660000111.7I77 R78 L81 S85 S132 V133 S134 T138 E139I77-V136 HydrophobicContact CG2-CB 4.4Å; I77-V136 HydrophobicContact CG2-CG2 4.1Å; R78-V136 HydrophobicContact CB-CG2 4.27Å; L81-V136 HydrophobicContact CB-CG1 3.99Å; S85-V136 WeakPolarHBondContact CB-O 3.31Å; S85-V136 PolarHBondContact OG-O 3.38Å; S132-V136 WeakPolarHBondContact O-CG2 3.43Å; S132-V136 PolarHBondContact O-N 3.35Å; V133-V136 PolarHBondContact O-N 3.2Å; S134-V136 VanDerWaalsContact C-N 3.33Å; S134-V136 PolarHBondContact O-N 3.41Å; V136-T138 PolarHBondContact O-N 3.06Å; V136-E139 VanDerWaalsContact O-CG 3.26Å; V136-E139 WeakPolarHBondContact O-CG 3.34Å; V136-E139 PolarHBondContact O-N 2.68Å
137L98.4Very high97.5Very high18 Ų1852.5 Ų52.59%0.09426%0.258CS..Hα-helixtrans-66-23.1179.6-67.8178.2000112.9L81 L84 F99 V133 S134 Y141L81-L137 HydrophobicContact CB-CD2 4.21Å; L81-L137 HydrophobicContact CD1-CD2 4.23Å; L81-L137 HydrophobicContact CD1-CG 4.42Å; L84-L137 HydrophobicContact CB-CD2 3.68Å; F99-L137 HydrophobicContact CD1-CB 4.14Å; F99-L137 HydrophobicContact CD1-CD1 3.96Å; F99-L137 HydrophobicContact CE1-CB 3.66Å; F99-L137 HydrophobicContact CE1-CD1 3.7Å; F99-L137 HydrophobicContact CE1-CG 4.32Å; F99-L137 HydrophobicContact CZ-CB 4.25Å; V133-L137 HydrophobicContact CG1-CD1 3.99Å; V133-L137 HydrophobicContact CG1-CG 4.41Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 2.79Å; S134-L137 PolarHBondContact O-N 3.29Å; L137-Y141 WeakPolarHBondContact O-CE2 3Å
138T98.1Very high97.4Very high34 Ų3451.2 Ų51.221%0.20925%0.249CC..Hα-helixtrans-100.9-1.7179.563.30000114.8P96 F99 S134 S135 V136 K140 Y141P96-T138 HydrophobicContact CB-CG2 3.76Å; P96-T138 HydrophobicContact CG-CG2 4.07Å; F99-T138 HydrophobicContact CD2-CG2 3.69Å; F99-T138 HydrophobicContact CE2-CG2 3.74Å; F99-T138 HydrophobicContact CG-CG2 4.22Å; F99-T138 HydrophobicContact CZ-CG2 4.33Å; S134-T138 WeakPolarHBondContact O-CG2 3.34Å; S134-T138 PolarHBondContact O-N 2.93Å; S134-T138 PolarHBondContact O-OG1 2.91Å; S135-T138 PolarHBondContact O-N 2.94Å; S135-T138 PolarHBondContact O-OG1 3.29Å; V136-T138 PolarHBondContact O-N 3.06Å; T138-K140 PolarHBondContact O-N 2.83Å; T138-Y141 VanDerWaalsContact CA-CD2 3.49Å; T138-Y141 HydrophobicContact CG2-CE2 4.3Å; T138-Y141 VanDerWaalsContact O-CD2 3.3Å; T138-Y141 WeakPolarHBondContact O-CD2 3.24Å; T138-Y141 PolarHBondContact O-N 3.31Å
139E96.9Very high97.4Very high57 Ų5751.7 Ų51.727%0.26625%0.253SS..THydrogen-bonded Turntrans-68.5-21.7-169.578.3-171.717900114.3R78 S135 V136R78-E139 IonicContact CZ-OE2 3.05Å; R78-E139 IonicContact NE-OE1 3.41Å; R78-E139 PolarHBondContact NE-OE1 3.19Å; R78-E139 IonicContact NE-OE2 2.78Å; R78-E139 PolarHBondContact NE-OE2 3Å; R78-E139 IonicContact NH2-OE2 2.69Å; R78-E139 PolarHBondContact NH2-OE2 3.37Å; S135-E139 PolarHBondContact O-N 3.05Å; S135-E139 VanDerWaalsContact O-N 3.09Å; V136-E139 VanDerWaalsContact O-CG 3.26Å; V136-E139 WeakPolarHBondContact O-CG 3.34Å; V136-E139 PolarHBondContact O-N 2.68Å
140K96.8Very high97.2Very high52 Ų5255.7 Ų55.723%0.22627%0.273CS..THydrogen-bonded Turntrans-96.98.1-178.3-67.5-173.4176.5176.60114.3E86 A89 Y90 T138 R142E86-K140 HydrophobicContact CG-CD 3.63Å; E86-K140 IonicContact OE1-NZ 2.68Å; E86-K140 PolarHBondContact OE1-NZ 2.85Å; A89-K140 HydrophobicContact CB-CB 3.8Å; Y90-K140 HydrophobicContact CE1-CB 4.44Å; Y90-K140 WeakPolarHBondContact CE1-O 3.47Å; Y90-K140 HydrophobicContact CE2-CD 4.41Å; T138-K140 PolarHBondContact O-N 2.83Å; K140-R142 PolarHBondContact O-N 2.72Å
141Y95.9Very high97.1Very high58 Ų5860.1 Ų60.123%0.22729%0.294CS..  trans-74.7-11.1-179.5-82.8-110.2000113.6H88 A89 V94 P96 L137 T138H88-Y141 VanDerWaalsContact C-OH 3.24Å; H88-Y141 HydrophobicContact CB-CE2 4.39Å; H88-Y141 PolarHBondContact O-OH 2.86Å; A89-Y141 VanDerWaalsContact CA-CE2 3.44Å; A89-Y141 HydrophobicContact CB-CD2 3.59Å; A89-Y141 HydrophobicContact CB-CE2 3.72Å; A89-Y141 HydrophobicContact CB-CG 4.22Å; V94-Y141 PolarHBondContact N-OH 3.05Å; V94-Y141 WeakPolarHBondContact O-CE1 3.45Å; V94-Y141 PolarHBondContact O-OH 3.04Å; P96-Y141 HydrophobicContact CG-CD1 4.12Å; P96-Y141 HydrophobicContact CG-CE1 4.37Å; P96-Y141 HydrophobicContact CG-CG 4.36Å; L137-Y141 WeakPolarHBondContact O-CE2 3Å; T138-Y141 VanDerWaalsContact CA-CD2 3.49Å; T138-Y141 HydrophobicContact CG2-CE2 4.3Å; T138-Y141 VanDerWaalsContact O-CD2 3.3Å; T138-Y141 WeakPolarHBondContact O-CD2 3.24Å; T138-Y141 PolarHBondContact O-N 3.31Å
142R89.1Confident97Very high304 Ų30460 Ų60100%1.14728%0.282SS*.  trans-142.40-177.4-61-175.4-176.1-147.2-0.8110.6K140K140-R142 PolarHBondContact O-N 2.72Å

Retrieved 142 of 142 residues in 28.8 ms (Link to these results)

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