A0A060XFF6_ONCMY Loading...

DnaJ homolog subfamily C member 22

May function as a co-chaperone.

AlphaFold DB , UniProt , Accession A0A060XFF6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene dnajc22, Length 346 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
1M63.2Low90Very high188 Ų18871.8 Ų71.893%0.92641%0.407SS*.  0135.50-70-177.9175.300109.1
2T82.9Confident90.3Very high109 Ų10969.1 Ų69.167%0.66939%0.385SS*.PPolyproline II helixtrans-68.1133.9174.441.90000110.2
3K89.5Confident90.1Very high58 Ų5869 Ų6925%0.25240%0.399SS..PPolyproline II helixtrans-83.4138.9177.9-56.5-64.1176.7170.40109.7Y24 L25 V56 A59 N60K3-Y24 WeakPolarHBondContact CA-OH 3.49Å; K3-Y24 HydrophobicContact CB-CE1 3.86Å; K3-Y24 HydrophobicContact CD-CD1 4.2Å; K3-Y24 HydrophobicContact CD-CD2 4.45Å; K3-Y24 HydrophobicContact CD-CE1 3.71Å; K3-Y24 HydrophobicContact CD-CE2 3.99Å; K3-Y24 WeakPolarHBondContact CD-O 3.39Å; K3-Y24 WeakPolarHBondContact CE-O 3.42Å; K3-Y24 HydrophobicContact CG-CE1 4.32Å; K3-Y24 PolarHBondContact NZ-O 3.49Å; K3-L25 HydrophobicContact CB-CD2 3.92Å; K3-L25 HydrophobicContact CG-CD2 4.13Å; K3-V56 HydrophobicContact CB-CG1 4.19Å; K3-V56 VanDerWaalsContact O-CG1 3.26Å; K3-V56 WeakPolarHBondContact O-CG1 3.47Å; K3-A59 HydrophobicContact CG-CB 4.18Å; K3-N60 WeakPolarHBondContact CB-OD1 3.41Å; K3-N60 PolarHBondContact N-OD1 3.12Å; K3-N60 PolarHBondContact O-ND2 3.49Å
4S93.4Very high90Very high45 Ų4576 Ų7632%0.31543%0.429SS..PPolyproline II helixtrans-100.3136.7-179.2172.80000112T6 T8 Y24S4-T6 PolarHBondContact OG-N 2.82Å; S4-T8 WeakPolarHBondContact O-CB 3.29Å; S4-T8 PolarHBondContact O-N 3.48Å; S4-T8 VanDerWaalsContact O-N 3.11Å; S4-T8 PolarHBondContact O-OG1 2.94Å; S4-Y24 PolarHBondContact N-OH 2.95Å; S4-Y24 VanDerWaalsContact N-OH 3.13Å
5V94.3Very high89.6Confident56 Ų5671.3 Ų71.334%0.33940%0.404SS..Hα-helixtrans-63.1-44.1174.4178.30000111V7 T8 Y9 I52 V56V5-V7 PolarHBondContact O-N 3.48Å; V5-T8 WeakPolarHBondContact O-CB 3.19Å; V5-T8 PolarHBondContact O-N 3.44Å; V5-T8 VanDerWaalsContact O-N 3.14Å; V5-Y9 HydrophobicContact CG1-CD2 3.7Å; V5-Y9 HydrophobicContact CG1-CE2 3.44Å; V5-Y9 VanDerWaalsContact CG1-CE2 3.44Å; V5-Y9 WeakPolarHBondContact O-CD2 3.43Å; V5-Y9 PolarHBondContact O-N 2.96Å; V5-I52 HydrophobicContact CG1-CG2 4.36Å; V5-V56 HydrophobicContact CB-CG2 4.48Å; V5-V56 HydrophobicContact CG2-CB 3.88Å; V5-V56 HydrophobicContact CG2-CG1 3.78Å; V5-V56 HydrophobicContact CG2-CG2 3.95Å
6T94.8Very high89.2Confident111 Ų11166.8 Ų66.868%0.68138%0.379SS*.Hα-helixtrans-62.5-45.4-178.7-46.40000111.8S4 T8 Y9 A10S4-T6 PolarHBondContact OG-N 2.82Å; T6-T8 VanDerWaalsContact C-N 3.27Å; T6-T8 PolarHBondContact O-N 2.94Å; T6-Y9 PolarHBondContact O-N 2.95Å; T6-A10 PolarHBondContact O-N 2.97Å
7V94.2Very high88.8Confident64 Ų6466.1 Ų66.139%0.38838%0.377SS..Hα-helixtrans-62.1-39.6176176.90000110.4V5 Y9 A10 L11 Y24V5-V7 PolarHBondContact O-N 3.48Å; V7-Y9 PolarHBondContact O-N 3.44Å; V7-A10 PolarHBondContact O-N 2.58Å; V7-L11 HydrophobicContact CG1-CD1 4.15Å; V7-L11 HydrophobicContact CG1-CG 4.49Å; V7-L11 WeakPolarHBondContact O-CG 3.13Å; V7-L11 PolarHBondContact O-N 3.13Å; V7-Y24 HydrophobicContact CB-CE1 4.45Å; V7-Y24 HydrophobicContact CG1-CE1 4.22Å; V7-Y24 HydrophobicContact CG1-CE2 4.18Å
8T94.6Very high88.6Confident0 Ų067.8 Ų67.80%038%0.384CS..Hα-helixtrans-63.9-41.5178.7-53.30000111.7S4 V5 T6 L11 W12 H21 L25 I52 V56S4-T8 WeakPolarHBondContact O-CB 3.29Å; S4-T8 PolarHBondContact O-N 3.48Å; S4-T8 VanDerWaalsContact O-N 3.11Å; S4-T8 PolarHBondContact O-OG1 2.94Å; V5-T8 WeakPolarHBondContact O-CB 3.19Å; V5-T8 PolarHBondContact O-N 3.44Å; V5-T8 VanDerWaalsContact O-N 3.14Å; T6-T8 VanDerWaalsContact C-N 3.27Å; T6-T8 PolarHBondContact O-N 2.94Å; T8-L11 PolarHBondContact O-N 3.01Å; T8-W12 WeakPolarHBondContact O-CB 3.39Å; T8-W12 PolarHBondContact O-N 3.23Å; T8-H21 HydrophobicContact CG2-CB 3.83Å; T8-L25 HydrophobicContact CG2-CD1 3.84Å; T8-L25 HydrophobicContact CG2-CG 4.25Å; T8-I52 HydrophobicContact CG2-CG1 4.29Å; T8-I52 HydrophobicContact CG2-CG2 3.7Å; T8-V56 HydrophobicContact CG2-CG2 4.19Å; T8-V56 WeakPolarHBondContact OG1-CG2 3.46Å
9Y95.6Very high88.7Confident62 Ų6264.2 Ų64.224%0.24336%0.364CS..Hα-helixtrans-66.4-39.7174.3-80.6-63.4000113.1V5 T6 V7 L11 W12 A13 F49 I52 P53V5-Y9 HydrophobicContact CG1-CD2 3.7Å; V5-Y9 HydrophobicContact CG1-CE2 3.44Å; V5-Y9 VanDerWaalsContact CG1-CE2 3.44Å; V5-Y9 WeakPolarHBondContact O-CD2 3.43Å; V5-Y9 PolarHBondContact O-N 2.96Å; T6-Y9 PolarHBondContact O-N 2.95Å; V7-Y9 PolarHBondContact O-N 3.44Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 2.99Å; Y9-W12 PolarHBondContact O-N 3.46Å; Y9-A13 PolarHBondContact O-N 2.83Å; Y9-F49 HydrophobicContact CD1-CD2 4.36Å; Y9-F49 HydrophobicContact CD1-CE2 4.42Å; Y9-F49 AromaticContact CE1-CD2 3.85Å; Y9-F49 HydrophobicContact CE1-CD2 3.85Å; Y9-F49 AromaticContact CE1-CE2 3.98Å; Y9-F49 HydrophobicContact CE1-CE2 3.98Å; Y9-F49 HydrophobicContact CE1-CG 4.48Å; Y9-F49 PolarHBondContact OH-O 3.16Å; Y9-I52 HydrophobicContact CD1-CB 4.45Å; Y9-I52 HydrophobicContact CD1-CD1 3.48Å; Y9-I52 VanDerWaalsContact CD1-CD1 3.48Å; Y9-I52 HydrophobicContact CD1-CG2 4.19Å; Y9-I52 HydrophobicContact CD2-CG2 4.09Å; Y9-I52 HydrophobicContact CE1-CB 3.9Å; Y9-I52 HydrophobicContact CE1-CD1 3.5Å; Y9-I52 HydrophobicContact CE1-CG1 4.29Å; Y9-I52 HydrophobicContact CE1-CG2 3.96Å; Y9-I52 HydrophobicContact CE2-CG2 3.88Å; Y9-I52 HydrophobicContact CG-CD1 4.36Å; Y9-I52 HydrophobicContact CG-CG2 4.24Å; Y9-P53 WeakPolarHBondContact OH-CD 3.36Å
10A94.5Very high88.8Confident51 Ų5164.5 Ų64.542%0.42136%0.364SS..Hα-helixtrans-60.2-44.7175.500000111.3T6 V7 A13 M14T6-A10 PolarHBondContact O-N 2.97Å; V7-A10 PolarHBondContact O-N 2.58Å; A10-A13 PolarHBondContact O-N 3.16Å; A10-M14 WeakPolarHBondContact O-CG 3.47Å; A10-M14 PolarHBondContact O-N 3.1Å
11L93.2Very high89Confident46 Ų4661.4 Ų61.424%0.24135%0.347CS..Hα-helixtrans-65.8-36.9175.3-68.6174.5000112.7V7 T8 Y9 A13 G15 G16 L20 H21 Y24V7-L11 HydrophobicContact CG1-CD1 4.15Å; V7-L11 HydrophobicContact CG1-CG 4.49Å; V7-L11 WeakPolarHBondContact O-CG 3.13Å; V7-L11 PolarHBondContact O-N 3.13Å; T8-L11 PolarHBondContact O-N 3.01Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 2.99Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-G15 CarbonylContact O-C 3.53Å; L11-G15 PolarHBondContact O-N 2.86Å; L11-G16 PolarHBondContact O-N 2.78Å; L11-L20 HydrophobicContact CB-CB 4.34Å; L11-L20 HydrophobicContact CD2-CB 4.45Å; L11-H21 HydrophobicContact CB-CB 4.03Å; L11-Y24 HydrophobicContact CD1-CD1 4.28Å; L11-Y24 HydrophobicContact CD1-CD2 4.27Å; L11-Y24 HydrophobicContact CD1-CG 3.78Å
12W93.4Very high90.4Very high39 Ų3952.4 Ų52.415%0.14830%0.303CS..Hα-helixtrans-65.5-35.4174.3171.289.1000112.4T8 Y9 G16 H21 W45 F49 I52T8-W12 WeakPolarHBondContact O-CB 3.39Å; T8-W12 PolarHBondContact O-N 3.23Å; Y9-W12 PolarHBondContact O-N 3.46Å; W12-G16 WeakPolarHBondContact O-CA 3.48Å; W12-G16 PolarHBondContact O-N 3.44Å; W12-H21 HydrophobicContact CB-CB 4.24Å; W12-H21 AromaticContact CD1-CE1 3.94Å; W12-H21 AromaticContact CD1-NE2 3.84Å; W12-W45 AromaticContact CD1-CD1 3.75Å; W12-W45 AromaticContact CD1-NE1 3.87Å; W12-W45 AromaticContact CD2-NE1 3.96Å; W12-W45 AromaticContact CE2-CD1 3.73Å; W12-W45 AromaticContact CE2-CE2 3.98Å; W12-W45 AromaticContact CE2-NE1 3.33Å; W12-W45 VanDerWaalsContact CE2-NE1 3.33Å; W12-W45 HydrophobicContact CH2-CZ2 4.2Å; W12-W45 HydrophobicContact CZ2-CD2 4.38Å; W12-W45 AromaticContact CZ2-CE2 3.75Å; W12-W45 HydrophobicContact CZ2-CZ2 4.04Å; W12-W45 AromaticContact CZ2-NE1 3.6Å; W12-W45 AromaticContact NE1-CD1 3.19Å; W12-W45 AromaticContact NE1-NE1 3.3Å; W12-W45 PolarHBondContact NE1-O 3.42Å; W12-W45 VanDerWaalsContact NE1-O 3.09Å; W12-F49 HydrophobicContact CH2-CB 4.41Å; W12-F49 AromaticContact CH2-CD2 3.9Å; W12-F49 HydrophobicContact CH2-CD2 3.9Å; W12-F49 HydrophobicContact CZ2-CB 4.13Å; W12-F49 HydrophobicContact CZ2-CD2 4.38Å; W12-F49 HydrophobicContact CZ3-CD2 4.03Å; W12-I52 HydrophobicContact CB-CD1 3.78Å; W12-I52 HydrophobicContact CD2-CD1 4.2Å; W12-I52 HydrophobicContact CG-CD1 3.65Å
13A88Confident90.8Very high68 Ų6848.3 Ų48.356%0.56228%0.276SS*.Hα-helixtrans-73.3-44.3176.800000112Y9 A10 L11Y9-A13 PolarHBondContact O-N 2.83Å; A10-A13 PolarHBondContact O-N 3.16Å; L11-A13 VanDerWaalsContact C-N 3.34Å
14M88.3Confident90.9Very high167 Ų16748.6 Ų48.682%0.82328%0.276SS*.Hα-helixtrans-78.6-36.2-175.7-68.6-179.664.200113.9A10A10-M14 WeakPolarHBondContact O-CG 3.47Å; A10-M14 PolarHBondContact O-N 3.1Å
15G84.9Confident90.7Very high5 Ų546.8 Ų46.85%0.05226%0.263CS..Hα-helixtrans-145.631.7-175.500000112.9L11 L18 G19 L20L11-G15 CarbonylContact O-C 3.53Å; L11-G15 PolarHBondContact O-N 2.86Å; G15-L18 CarbonylContact O-C 3.6Å; G15-L18 PolarHBondContact O-N 2.72Å; G15-L18 VanDerWaalsContact O-N 3.12Å; G15-G19 PolarHBondContact O-N 2.82Å; G15-G19 VanDerWaalsContact O-N 3.13Å; G15-L20 PolarHBondContact O-N 3.25Å
16G82.3Confident90.4Very high0 Ų046.2 Ų46.20%027%0.268CS..G310 helixtrans-52.3-52.517700000113L11 W12 L18 G19 W34L11-G16 PolarHBondContact O-N 2.78Å; W12-G16 WeakPolarHBondContact O-CA 3.48Å; W12-G16 PolarHBondContact O-N 3.44Å; G16-L18 PolarHBondContact O-N 2.77Å; G16-L18 VanDerWaalsContact O-N 3.13Å; G16-G19 WeakPolarHBondContact O-CA 3.08Å; G16-G19 PolarHBondContact O-N 2.66Å; G16-W34 VanDerWaalsContact O-CD1 3.27Å
17P82Confident90.2Very high54 Ų5442.3 Ų42.335%0.35124%0.241SC..G310 helixtrans-58.5-27.2178.8-27.136.1000114.2W34 G39P17-W34 CarbonylContact O-C 3.42Å; P17-W34 VanDerWaalsContact O-O 3.05Å; P17-G39 PolarHBondContact O-N 3Å; P17-G39 VanDerWaalsContact O-N 3.15Å
18L86.1Confident90Very high97 Ų9741 Ų4151%0.50823%0.232SC..G310 helixtrans-88.2-3.9175.8-59.8177.8000113.1G15 G16 M35G15-L18 CarbonylContact O-C 3.6Å; G15-L18 PolarHBondContact O-N 2.72Å; G15-L18 VanDerWaalsContact O-N 3.12Å; G16-L18 PolarHBondContact O-N 2.77Å; G16-L18 VanDerWaalsContact O-N 3.13Å; L18-M35 WeakPolarHBondContact O-CG 3.47Å
19G89.7Confident89.9Confident0 Ų042.6 Ų42.60%024%0.243CC..THydrogen-bonded Turntrans74.824.9176.500000114.9G15 G16 H21 H22 L23G15-G19 PolarHBondContact O-N 2.82Å; G15-G19 VanDerWaalsContact O-N 3.13Å; G16-G19 WeakPolarHBondContact O-CA 3.08Å; G16-G19 PolarHBondContact O-N 2.66Å; G19-H21 VanDerWaalsContact C-N 3.26Å; G19-H21 PolarHBondContact O-N 3.44Å; G19-H22 WeakPolarHBondContact O-CB 3.49Å; G19-H22 PolarHBondContact O-N 3.3Å; G19-L23 PolarHBondContact O-N 3.44Å; G19-L23 VanDerWaalsContact O-N 3.16Å
20L91.6Very high89.8Confident69 Ų6939.8 Ų39.836%0.36123%0.232SC..Hα-helixtrans-57-38.6-179.4-68-173.3000113.1L11 G15 H22 L23 Y24L11-L20 HydrophobicContact CB-CB 4.34Å; L11-L20 HydrophobicContact CD2-CB 4.45Å; G15-L20 PolarHBondContact O-N 3.25Å; L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 2.71Å; L20-L23 HydrophobicContact CD2-CD1 4.17Å; L20-L23 PolarHBondContact O-N 2.61Å; L20-Y24 PolarHBondContact O-N 3.16Å
21H92.9Very high89.8Confident0 Ų037.4 Ų37.40%021%0.212CC..Hα-helixtrans-64-32176.360.7-63.9000112.1T8 L11 W12 G19 L25 E48T8-H21 HydrophobicContact CG2-CB 3.83Å; L11-H21 HydrophobicContact CB-CB 4.03Å; W12-H21 HydrophobicContact CB-CB 4.24Å; W12-H21 AromaticContact CD1-CE1 3.94Å; W12-H21 AromaticContact CD1-NE2 3.84Å; G19-H21 VanDerWaalsContact C-N 3.26Å; G19-H21 PolarHBondContact O-N 3.44Å; H21-L25 WeakPolarHBondContact O-CG 3.24Å; H21-L25 PolarHBondContact O-N 3.29Å; H21-L25 VanDerWaalsContact O-N 3.14Å; H21-E48 IonicContact CD2-OE2 3.1Å; H21-E48 IonicContact CE1-OE2 3.99Å; H21-E48 PolarHBondContact CE1-OE2 3.46Å; H21-E48 IonicContact NE2-OE1 3.35Å; H21-E48 IonicContact NE2-OE2 3.02Å; H21-E48 PolarHBondContact NE2-OE2 2.84Å
22H92.6Very high89.9Confident0 Ų036 Ų360%021%0.205CC..Hα-helixtrans-72.4-37.5174-70.2-47.2000113G19 L20 Y24 L25 G26 R27 H30 A31 W34 E48 Y55G19-H22 WeakPolarHBondContact O-CB 3.49Å; G19-H22 PolarHBondContact O-N 3.3Å; L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 2.71Å; H22-Y24 VanDerWaalsContact C-N 3.32Å; H22-Y24 PolarHBondContact O-N 3.1Å; H22-L25 CarbonylContact O-C 3.52Å; H22-L25 PolarHBondContact O-N 2.91Å; H22-G26 PolarHBondContact O-N 3.45Å; H22-G26 VanDerWaalsContact O-N 3.08Å; H22-R27 HydrophobicContact CB-CB 4.13Å; H22-R27 PolarHBondContact O-N 2.78Å; H22-H30 HydrophobicContact CB-CB 4.27Å; H22-H30 AromaticContact CD2-CG 3.78Å; H22-H30 AromaticContact CD2-ND1 3.65Å; H22-H30 AromaticContact CE1-CE1 3.16Å; H22-H30 PolarHBondContact CE1-CE1 3.2Å; H22-H30 AromaticContact CE1-CG 3.78Å; H22-H30 AromaticContact CE1-ND1 2.87Å; H22-H30 PolarHBondContact CE1-ND1 2.72Å; H22-H30 AromaticContact CG-CG 3.81Å; H22-H30 AromaticContact CG-ND1 3.56Å; H22-H30 AromaticContact ND1-CE1 3.81Å; H22-H30 AromaticContact ND1-CG 3.77Å; H22-H30 AromaticContact ND1-ND1 3.04Å; H22-H30 PolarHBondContact ND1-ND1 2.8Å; H22-H30 AromaticContact NE2-CE1 3.31Å; H22-H30 PolarHBondContact NE2-CE1 3.45Å; H22-H30 VanDerWaalsContact NE2-CE1 3.31Å; H22-H30 AromaticContact NE2-CG 3.71Å; H22-H30 AromaticContact NE2-ND1 3.19Å; H22-H30 PolarHBondContact NE2-ND1 3.31Å; H22-H30 VanDerWaalsContact NE2-ND1 3.19Å; H22-H30 AromaticContact NE2-NE2 3.95Å; H22-A31 HydrophobicContact CB-CB 3.74Å; H22-W34 AromaticContact NE2-CE2 3.95Å; H22-E48 IonicContact CD2-OE1 3.57Å; H22-E48 IonicContact CE1-OE1 3.28Å; H22-E48 PolarHBondContact CE1-OE1 3.3Å; H22-E48 VanDerWaalsContact NE2-CD 3.29Å; H22-E48 IonicContact NE2-OE1 3.9Å; H22-E48 PolarHBondContact NE2-OE1 3.49Å; H22-E48 IonicContact NE2-OE2 2.94Å; H22-E48 PolarHBondContact NE2-OE2 3.32Å; H22-Y55 AromaticContact CE1-CE2 4Å
23L91.7Very high89.9Confident23 Ų2334.8 Ų34.812%0.1220%0.201CC..Hα-helixtrans-60.6-44.6174.1-63.9177.1000111G19 L20 L25 G26 A31 R189 L190 L193G19-L23 PolarHBondContact O-N 3.44Å; G19-L23 VanDerWaalsContact O-N 3.16Å; L20-L23 HydrophobicContact CD2-CD1 4.17Å; L20-L23 PolarHBondContact O-N 2.61Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 2.88Å; L23-G26 PolarHBondContact O-N 3.02Å; L23-A31 HydrophobicContact CD2-CB 3.37Å; L23-A31 HydrophobicContact CG-CB 3.7Å; L23-R189 PolarHBondContact O-NH2 2.85Å; L23-R189 VanDerWaalsContact O-NH2 3.1Å; L23-L190 HydrophobicContact CD1-CD2 4.13Å; L23-L193 HydrophobicContact CD2-CD1 3.31Å
24Y91.2Very high90.1Very high64 Ų6432 Ų3225%0.25118%0.176SC..Hα-helixtrans-58.9-39.6174.9174.9-108000112K3 S4 V7 L11 L20 H22 G26K3-Y24 WeakPolarHBondContact CA-OH 3.49Å; K3-Y24 HydrophobicContact CB-CE1 3.86Å; K3-Y24 HydrophobicContact CD-CD1 4.2Å; K3-Y24 HydrophobicContact CD-CD2 4.45Å; K3-Y24 HydrophobicContact CD-CE1 3.71Å; K3-Y24 HydrophobicContact CD-CE2 3.99Å; K3-Y24 WeakPolarHBondContact CD-O 3.39Å; K3-Y24 WeakPolarHBondContact CE-O 3.42Å; K3-Y24 HydrophobicContact CG-CE1 4.32Å; K3-Y24 PolarHBondContact NZ-O 3.49Å; S4-Y24 PolarHBondContact N-OH 2.95Å; S4-Y24 VanDerWaalsContact N-OH 3.13Å; V7-Y24 HydrophobicContact CB-CE1 4.45Å; V7-Y24 HydrophobicContact CG1-CE1 4.22Å; V7-Y24 HydrophobicContact CG1-CE2 4.18Å; L11-Y24 HydrophobicContact CD1-CD1 4.28Å; L11-Y24 HydrophobicContact CD1-CD2 4.27Å; L11-Y24 HydrophobicContact CD1-CG 3.78Å; L20-Y24 PolarHBondContact O-N 3.16Å; H22-Y24 VanDerWaalsContact C-N 3.32Å; H22-Y24 PolarHBondContact O-N 3.1Å; Y24-G26 VanDerWaalsContact C-N 3.33Å; Y24-G26 PolarHBondContact O-N 3.48Å
25L89.3Confident90.3Very high7 Ų725.6 Ų25.64%0.03714%0.144CC..THydrogen-bonded Turntrans-81.6-1.8179.6-65.3177.5000114.9K3 T8 H21 H22 L23 R27 V56 A59K3-L25 HydrophobicContact CB-CD2 3.92Å; K3-L25 HydrophobicContact CG-CD2 4.13Å; T8-L25 HydrophobicContact CG2-CD1 3.84Å; T8-L25 HydrophobicContact CG2-CG 4.25Å; H21-L25 WeakPolarHBondContact O-CG 3.24Å; H21-L25 PolarHBondContact O-N 3.29Å; H21-L25 VanDerWaalsContact O-N 3.14Å; H22-L25 CarbonylContact O-C 3.52Å; H22-L25 PolarHBondContact O-N 2.91Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 2.88Å; L25-R27 VanDerWaalsContact C-N 3.35Å; L25-R27 HydrophobicContact CB-CG 4.14Å; L25-V56 HydrophobicContact CD2-CG2 3.97Å; L25-A59 HydrophobicContact CB-CB 4.4Å; L25-A59 HydrophobicContact CD2-CB 4.03Å
26G87.4Confident90.6Very high43 Ų4325.8 Ų25.844%0.44314%0.144SC..THydrogen-bonded Turntrans83.48.3-178.900000114.7H22 L23 Y24 D28H22-G26 PolarHBondContact O-N 3.45Å; H22-G26 VanDerWaalsContact O-N 3.08Å; L23-G26 PolarHBondContact O-N 3.02Å; Y24-G26 VanDerWaalsContact C-N 3.33Å; Y24-G26 PolarHBondContact O-N 3.48Å; G26-D28 PolarHBondContact O-N 2.82Å
27R90.3Very high91Very high30 Ų3026 Ų2611%0.11315%0.146CC..  trans-94.365-171.7-59176.477.8109.1-4111.2H22 L25 S29 H30 A31 E58H22-R27 HydrophobicContact CB-CB 4.13Å; H22-R27 PolarHBondContact O-N 2.78Å; L25-R27 VanDerWaalsContact C-N 3.35Å; L25-R27 HydrophobicContact CB-CG 4.14Å; R27-S29 PolarHBondContact O-N 2.85Å; R27-H30 HydrophobicContact CB-CB 3.87Å; R27-H30 WeakPolarHBondContact O-CA 3.34Å; R27-H30 VanDerWaalsContact O-CB 3.28Å; R27-H30 WeakPolarHBondContact O-CB 3.49Å; R27-H30 PolarHBondContact O-N 3.25Å; R27-A31 PolarHBondContact O-N 3.02Å; R27-E58 IonicContact CZ-OE2 3.22Å; R27-E58 IonicContact NH1-OE2 3.79Å; R27-E58 PolarHBondContact NH1-OE2 3.19Å; R27-E58 IonicContact NH2-OE2 3.67Å
28D91.3Very high91.1Very high37 Ų3729.1 Ų29.120%0.19816%0.158CC..Hα-helixtrans-58.2-44.1-169.4-69.4-12.5000114.1G26 H30 A31 L32 R189 L193G26-D28 PolarHBondContact O-N 2.82Å; D28-H30 PolarHBondContact O-N 3.49Å; D28-A31 PolarHBondContact O-N 2.95Å; D28-L32 WeakPolarHBondContact O-CB 3.23Å; D28-L32 PolarHBondContact O-N 3.36Å; D28-R189 IonicContact OD1-CZ 3.76Å; D28-R189 IonicContact OD1-NE 3.27Å; D28-R189 PolarHBondContact OD1-NE 3.05Å; D28-R189 IonicContact OD1-NH2 3.98Å; D28-R189 PolarHBondContact OD1-NH2 3.15Å; D28-R189 IonicContact OD2-CZ 2.77Å; D28-R189 IonicContact OD2-NE 3.94Å; D28-R189 PolarHBondContact OD2-NE 3.09Å; D28-R189 IonicContact OD2-NH2 3.37Å; D28-L193 HydrophobicContact CB-CD1 4.42Å; D28-L193 HydrophobicContact CB-CD2 4.34Å
29S92Very high90.9Very high32 Ų3224.5 Ų24.522%0.22413%0.134CC..Hα-helixtrans-62.9-31.7176.1-48.10000112.5R27 L33 L125 S128R27-S29 PolarHBondContact O-N 2.85Å; S29-L33 WeakPolarHBondContact O-CB 2.96Å; S29-L33 PolarHBondContact O-N 2.95Å; S29-L125 WeakPolarHBondContact O-CD1 3.07Å; S29-S128 WeakPolarHBondContact CB-O 3.31Å; S29-S128 PolarHBondContact OG-O 3.37Å
30H93.3Very high90.5Very high4 Ų425.2 Ų25.22%0.01914%0.142CC..Hα-helixtrans-75.2-43.5179-155.4-166000110.7H22 R27 D28 L32 L33 W34 E48 V129H22-H30 HydrophobicContact CB-CB 4.27Å; H22-H30 AromaticContact CD2-CG 3.78Å; H22-H30 AromaticContact CD2-ND1 3.65Å; H22-H30 AromaticContact CE1-CE1 3.16Å; H22-H30 PolarHBondContact CE1-CE1 3.2Å; H22-H30 AromaticContact CE1-CG 3.78Å; H22-H30 AromaticContact CE1-ND1 2.87Å; H22-H30 PolarHBondContact CE1-ND1 2.72Å; H22-H30 AromaticContact CG-CG 3.81Å; H22-H30 AromaticContact CG-ND1 3.56Å; H22-H30 AromaticContact ND1-CE1 3.81Å; H22-H30 AromaticContact ND1-CG 3.77Å; H22-H30 AromaticContact ND1-ND1 3.04Å; H22-H30 PolarHBondContact ND1-ND1 2.8Å; H22-H30 AromaticContact NE2-CE1 3.31Å; H22-H30 PolarHBondContact NE2-CE1 3.45Å; H22-H30 VanDerWaalsContact NE2-CE1 3.31Å; H22-H30 AromaticContact NE2-CG 3.71Å; H22-H30 AromaticContact NE2-ND1 3.19Å; H22-H30 PolarHBondContact NE2-ND1 3.31Å; H22-H30 VanDerWaalsContact NE2-ND1 3.19Å; H22-H30 AromaticContact NE2-NE2 3.95Å; R27-H30 HydrophobicContact CB-CB 3.87Å; R27-H30 WeakPolarHBondContact O-CA 3.34Å; R27-H30 VanDerWaalsContact O-CB 3.28Å; R27-H30 WeakPolarHBondContact O-CB 3.49Å; R27-H30 PolarHBondContact O-N 3.25Å; D28-H30 PolarHBondContact O-N 3.49Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 3.43Å; H30-L33 PolarHBondContact O-N 3.37Å; H30-W34 AromaticContact CD2-CE3 3.42Å; H30-W34 VanDerWaalsContact CD2-CE3 3.42Å; H30-W34 AromaticContact CD2-CH2 3.54Å; H30-W34 AromaticContact CD2-CZ3 3.01Å; H30-W34 WeakPolarHBondContact CD2-CZ3 3.19Å; H30-W34 AromaticContact CE1-CH2 3.95Å; H30-W34 AromaticContact NE2-CE3 3.81Å; H30-W34 AromaticContact NE2-CH2 2.98Å; H30-W34 WeakPolarHBondContact NE2-CH2 3.26Å; H30-W34 AromaticContact NE2-CZ2 3.72Å; H30-W34 AromaticContact NE2-CZ3 3.04Å; H30-W34 WeakPolarHBondContact NE2-CZ3 3.34Å; H30-W34 PolarHBondContact O-N 3.15Å; H30-E48 IonicContact CE1-OE1 3.34Å; H30-E48 PolarHBondContact CE1-OE1 2.77Å; H30-E48 IonicContact ND1-OE1 2.71Å; H30-E48 IonicContact NE2-OE1 3.81Å; H30-V129 HydrophobicContact CB-CG1 4.26Å; H30-V129 WeakPolarHBondContact CD2-CG1 3.13Å
31A94.1Very high90.1Very high0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-58.2-47.1172.200000111.3H22 L23 R27 D28 L33 W34 M35H22-A31 HydrophobicContact CB-CB 3.74Å; L23-A31 HydrophobicContact CD2-CB 3.37Å; L23-A31 HydrophobicContact CG-CB 3.7Å; R27-A31 PolarHBondContact O-N 3.02Å; D28-A31 PolarHBondContact O-N 2.95Å; A31-L33 PolarHBondContact O-N 2.99Å; A31-W34 WeakPolarHBondContact O-CB 3.38Å; A31-W34 PolarHBondContact O-N 2.91Å; A31-W34 VanDerWaalsContact O-N 3.11Å; A31-M35 HydrophobicContact CB-CE 4.43Å; A31-M35 WeakPolarHBondContact O-CG 3.47Å; A31-M35 PolarHBondContact O-N 3.21Å
32L94.8Very high89.4Confident18 Ų1828.3 Ų28.39%0.09416%0.161CC..Hα-helixtrans-60.5-45.2177.9-175.263.7000112D28 H30 W34 M35 L36 L125 L193 V196D28-L32 WeakPolarHBondContact O-CB 3.23Å; D28-L32 PolarHBondContact O-N 3.36Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 3.43Å; L32-W34 PolarHBondContact O-N 3.37Å; L32-M35 HydrophobicContact CB-CE 4.29Å; L32-M35 HydrophobicContact CD1-CE 4.06Å; L32-M35 PolarHBondContact O-N 3.44Å; L32-L36 HydrophobicContact CD1-CD1 3.94Å; L32-L36 HydrophobicContact CD1-CG 4.08Å; L32-L36 HydrophobicContact CG-CD1 3.91Å; L32-L36 HydrophobicContact CG-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CB 3.06Å; L32-L36 VanDerWaalsContact O-CG 3.27Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 3.01Å; L32-L125 HydrophobicContact CB-CD1 4.26Å; L32-L125 HydrophobicContact CD2-CD1 3.87Å; L32-L125 HydrophobicContact CD2-CD2 4.49Å; L32-L125 HydrophobicContact CG-CD1 4.25Å; L32-L125 HydrophobicContact CG-CD2 4.38Å; L32-L193 HydrophobicContact CB-CD2 3.83Å; L32-L193 HydrophobicContact CD1-CD2 4.25Å; L32-L193 HydrophobicContact CG-CD2 4.42Å; L32-V196 HydrophobicContact CD1-CB 4.31Å; L32-V196 HydrophobicContact CD1-CG1 4.01Å; L32-V196 HydrophobicContact CD2-CB 4.29Å; L32-V196 HydrophobicContact CD2-CG1 3.6Å; L32-V196 HydrophobicContact CG-CG1 4.4Å
33L94.3Very high88.8Confident12 Ų1233.7 Ų33.76%0.06319%0.194CC..Hα-helixtrans-57.2-41.5175.1178.559.5000111.4S29 H30 A31 L36 T37 V92 L125 V126 V129S29-L33 WeakPolarHBondContact O-CB 2.96Å; S29-L33 PolarHBondContact O-N 2.95Å; H30-L33 PolarHBondContact O-N 3.37Å; A31-L33 PolarHBondContact O-N 2.99Å; L33-L36 PolarHBondContact O-N 3.05Å; L33-T37 HydrophobicContact CD1-CG2 3.74Å; L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 WeakPolarHBondContact O-CG2 3.2Å; L33-T37 PolarHBondContact O-N 2.86Å; L33-T37 PolarHBondContact O-OG1 3.45Å; L33-V92 HydrophobicContact CD1-CG1 3.91Å; L33-V92 HydrophobicContact CD1-CG2 3.91Å; L33-L125 HydrophobicContact CB-CD2 4.12Å; L33-L125 HydrophobicContact CB-CG 4.13Å; L33-L125 HydrophobicContact CD1-CD2 4.08Å; L33-L125 HydrophobicContact CD1-CG 4.38Å; L33-V126 HydrophobicContact CD1-CG2 4.17Å; L33-V126 HydrophobicContact CD2-CG2 4.08Å; L33-V129 HydrophobicContact CD2-CG2 3.63Å
34W93.1Very high88.4Confident10 Ų1033.2 Ų33.24%0.03819%0.194CC..Hα-helixtrans-66.2-47.1178.2-93.8-127.7000111.9G16 P17 H22 H30 A31 L32 L36 T37 L38 G39 E48G16-W34 VanDerWaalsContact O-CD1 3.27Å; P17-W34 CarbonylContact O-C 3.42Å; P17-W34 VanDerWaalsContact O-O 3.05Å; H22-W34 AromaticContact NE2-CE2 3.95Å; H30-W34 AromaticContact CD2-CE3 3.42Å; H30-W34 VanDerWaalsContact CD2-CE3 3.42Å; H30-W34 AromaticContact CD2-CH2 3.54Å; H30-W34 AromaticContact CD2-CZ3 3.01Å; H30-W34 WeakPolarHBondContact CD2-CZ3 3.19Å; H30-W34 AromaticContact CE1-CH2 3.95Å; H30-W34 AromaticContact NE2-CE3 3.81Å; H30-W34 AromaticContact NE2-CH2 2.98Å; H30-W34 WeakPolarHBondContact NE2-CH2 3.26Å; H30-W34 AromaticContact NE2-CZ2 3.72Å; H30-W34 AromaticContact NE2-CZ3 3.04Å; H30-W34 WeakPolarHBondContact NE2-CZ3 3.34Å; H30-W34 PolarHBondContact O-N 3.15Å; A31-W34 WeakPolarHBondContact O-CB 3.38Å; A31-W34 PolarHBondContact O-N 2.91Å; A31-W34 VanDerWaalsContact O-N 3.11Å; L32-W34 PolarHBondContact O-N 3.37Å; W34-L36 PolarHBondContact O-N 2.71Å; W34-T37 PolarHBondContact O-N 3.44Å; W34-L38 WeakPolarHBondContact O-CA 3.32Å; W34-L38 PolarHBondContact O-N 3.29Å; W34-G39 PolarHBondContact O-N 3.48Å; W34-E48 VanDerWaalsContact CE2-OE2 3.24Å; W34-E48 HydrophobicContact CZ2-CG 3.84Å; W34-E48 WeakPolarHBondContact CZ2-OE1 3.02Å; W34-E48 WeakPolarHBondContact CZ2-OE2 3.4Å; W34-E48 PolarHBondContact NE1-OE2 3.13Å
35M91.9Very high88.2Confident33 Ų3334.6 Ų34.616%0.16320%0.199CC..Hα-helixtrans-57.1-38.9176.8-70.2-175.1-75.400112.4L18 A31 L32 L193L18-M35 WeakPolarHBondContact O-CG 3.47Å; A31-M35 HydrophobicContact CB-CE 4.43Å; A31-M35 WeakPolarHBondContact O-CG 3.47Å; A31-M35 PolarHBondContact O-N 3.21Å; L32-M35 HydrophobicContact CB-CE 4.29Å; L32-M35 HydrophobicContact CD1-CE 4.06Å; L32-M35 PolarHBondContact O-N 3.44Å; M35-L193 HydrophobicContact CE-CB 4.21Å; M35-L193 HydrophobicContact CE-CD1 4.44Å; M35-L193 HydrophobicContact CE-CD2 4.1Å
36L91.4Very high87.9Confident9 Ų936.9 Ų36.95%0.04722%0.219CC..Hα-helixtrans-84.3-20.8-177.3-61.1-178.5000113.6L32 L33 W34 Y95 F96 L125 F200L32-L36 HydrophobicContact CD1-CD1 3.94Å; L32-L36 HydrophobicContact CD1-CG 4.08Å; L32-L36 HydrophobicContact CG-CD1 3.91Å; L32-L36 HydrophobicContact CG-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CB 3.06Å; L32-L36 VanDerWaalsContact O-CG 3.27Å; L32-L36 WeakPolarHBondContact O-CG 3.39Å; L32-L36 PolarHBondContact O-N 3.01Å; L33-L36 PolarHBondContact O-N 3.05Å; W34-L36 PolarHBondContact O-N 2.71Å; L36-Y95 VanDerWaalsContact O-CE1 3.24Å; L36-Y95 WeakPolarHBondContact O-CE1 3.14Å; L36-Y95 PolarHBondContact O-OH 2.96Å; L36-F96 HydrophobicContact CD1-CE1 4.41Å; L36-F96 HydrophobicContact CD1-CE2 4.44Å; L36-F96 HydrophobicContact CD1-CZ 3.63Å; L36-L125 HydrophobicContact CD1-CD2 4.07Å; L36-F200 HydrophobicContact CD1-CD2 4.28Å; L36-F200 HydrophobicContact CD1-CG 4.27Å; L36-F200 HydrophobicContact CD2-CB 3.85Å; L36-F200 HydrophobicContact CD2-CD1 3.56Å; L36-F200 HydrophobicContact CD2-CD2 4.49Å; L36-F200 HydrophobicContact CD2-CE1 4.16Å; L36-F200 HydrophobicContact CD2-CG 3.72Å
37T89.2Confident87.9Confident5 Ų540.2 Ų40.23%0.03122%0.218CC..Hα-helixtrans-117.69.8-176.6620000113.6L33 W34 G39 G40 F41 V92 Y95L33-T37 HydrophobicContact CD1-CG2 3.74Å; L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 WeakPolarHBondContact O-CG2 3.2Å; L33-T37 PolarHBondContact O-N 2.86Å; L33-T37 PolarHBondContact O-OG1 3.45Å; W34-T37 PolarHBondContact O-N 3.44Å; T37-G39 PolarHBondContact O-N 3.45Å; T37-G40 WeakPolarHBondContact OG1-CA 3.43Å; T37-G40 PolarHBondContact OG1-N 2.95Å; T37-F41 HydrophobicContact CG2-CE1 4.15Å; T37-F41 HydrophobicContact CG2-CE2 4.31Å; T37-F41 HydrophobicContact CG2-CZ 3.86Å; T37-F41 PolarHBondContact O-N 3.17Å; T37-V92 HydrophobicContact CG2-CG2 4.41Å; T37-Y95 HydrophobicContact CG2-CD1 4.1Å; T37-Y95 HydrophobicContact CG2-CE1 4.1Å
38L85.3Confident87.9Confident118 Ų11838.8 Ų38.862%0.61821%0.213SC*.Hα-helixtrans50.854.8-175.5-58.5176.2000111.9W34W34-L38 WeakPolarHBondContact O-CA 3.32Å; W34-L38 PolarHBondContact O-N 3.29Å
39G81.6Confident87.8Confident0 Ų041.5 Ų41.50%022%0.223CC..Hα-helixtrans82.434.4178.500000114.9P17 W34 T37 G42 G44 W45P17-G39 PolarHBondContact O-N 3Å; P17-G39 VanDerWaalsContact O-N 3.15Å; W34-G39 PolarHBondContact O-N 3.48Å; T37-G39 PolarHBondContact O-N 3.45Å; G39-G42 PolarHBondContact O-N 3.11Å; G39-G44 CarbonylContact O-C 3.49Å; G39-G44 WeakPolarHBondContact O-CA 3.49Å; G39-W45 PolarHBondContact O-N 3.38Å
40G82.1Confident87.9Confident15 Ų1547.8 Ų47.816%0.15525%0.247CC..Hα-helixtrans68.145.7-179.700000111.9T37 G42 G44T37-G40 WeakPolarHBondContact OG1-CA 3.43Å; T37-G40 PolarHBondContact OG1-N 2.95Å; G40-G42 PolarHBondContact O-N 2.91Å; G40-G44 PolarHBondContact O-N 3.06Å; G40-G44 VanDerWaalsContact O-N 3.12Å
41F81.9Confident87.8Confident102 Ų10253.8 Ų53.845%0.44727%0.269SS..Hα-helixtrans58.734.3-175-46.1-70.2000112.9T37 V43 V92 Y95T37-F41 HydrophobicContact CG2-CE1 4.15Å; T37-F41 HydrophobicContact CG2-CE2 4.31Å; T37-F41 HydrophobicContact CG2-CZ 3.86Å; T37-F41 PolarHBondContact O-N 3.17Å; F41-V43 PolarHBondContact O-N 3.42Å; F41-V92 HydrophobicContact CE2-CG2 3.91Å; F41-V92 HydrophobicContact CZ-CG2 4.28Å; F41-Y95 HydrophobicContact CE1-CD1 4.22Å; F41-Y95 HydrophobicContact CE1-CD2 4.04Å; F41-Y95 AromaticContact CE1-CG 3.9Å; F41-Y95 HydrophobicContact CE1-CG 3.9Å; F41-Y95 HydrophobicContact CZ-CD1 4.11Å; F41-Y95 HydrophobicContact CZ-CD2 4.45Å; F41-Y95 AromaticContact CZ-CG 3.88Å; F41-Y95 HydrophobicContact CZ-CG 3.88Å
42G78.3Confident87.8Confident32 Ų3253.8 Ų53.833%0.3327%0.269SS..THydrogen-bonded Turntrans74.7-38.2-178.400000115.3G39 G40 G44 W45 A46G39-G42 PolarHBondContact O-N 3.11Å; G40-G42 PolarHBondContact O-N 2.91Å; G42-G44 VanDerWaalsContact C-N 3.31Å; G42-G44 PolarHBondContact O-N 3.01Å; G42-W45 PolarHBondContact O-N 2.82Å; G42-A46 PolarHBondContact O-N 2.72Å
43V79.8Confident87.7Confident114 Ų11456 Ų5669%0.69129%0.285SS*.Hα-helixtrans-63.9-39.1177.7-177.60000111F41 A46 R47F41-V43 PolarHBondContact O-N 3.42Å; V43-A46 PolarHBondContact O-N 3.21Å; V43-R47 WeakPolarHBondContact O-CB 3.49Å; V43-R47 PolarHBondContact O-N 2.98Å; V43-R47 VanDerWaalsContact O-N 3.09Å
44G84.1Confident87.6Confident12 Ų1257.7 Ų57.712%0.12430%0.3CS..Hα-helixtrans-55.4-54.817400000111.3G39 G40 G42 A46 R47 E48G39-G44 CarbonylContact O-C 3.49Å; G39-G44 WeakPolarHBondContact O-CA 3.49Å; G40-G44 PolarHBondContact O-N 3.06Å; G40-G44 VanDerWaalsContact O-N 3.12Å; G42-G44 VanDerWaalsContact C-N 3.31Å; G42-G44 PolarHBondContact O-N 3.01Å; G44-A46 PolarHBondContact O-N 2.8Å; G44-R47 WeakPolarHBondContact O-CB 3.39Å; G44-R47 PolarHBondContact O-N 2.96Å; G44-E48 VanDerWaalsContact O-CG 3.32Å; G44-E48 WeakPolarHBondContact O-CG 3.27Å; G44-E48 PolarHBondContact O-N 2.8Å; G44-E48 VanDerWaalsContact O-N 3.12Å
45W85.9Confident87.5Confident94 Ų9458 Ų5836%0.35630%0.301SS..Hα-helixtrans-55.2-44.8-179.9171.568000113.3W12 G39 G42 E48W12-W45 AromaticContact CD1-CD1 3.75Å; W12-W45 AromaticContact CD1-NE1 3.87Å; W12-W45 AromaticContact CD2-NE1 3.96Å; W12-W45 AromaticContact CE2-CD1 3.73Å; W12-W45 AromaticContact CE2-CE2 3.98Å; W12-W45 AromaticContact CE2-NE1 3.33Å; W12-W45 VanDerWaalsContact CE2-NE1 3.33Å; W12-W45 HydrophobicContact CH2-CZ2 4.2Å; W12-W45 HydrophobicContact CZ2-CD2 4.38Å; W12-W45 AromaticContact CZ2-CE2 3.75Å; W12-W45 HydrophobicContact CZ2-CZ2 4.04Å; W12-W45 AromaticContact CZ2-NE1 3.6Å; W12-W45 AromaticContact NE1-CD1 3.19Å; W12-W45 AromaticContact NE1-NE1 3.3Å; W12-W45 PolarHBondContact NE1-O 3.42Å; W12-W45 VanDerWaalsContact NE1-O 3.09Å; G39-W45 PolarHBondContact O-N 3.38Å; G42-W45 PolarHBondContact O-N 2.82Å; W45-E48 PolarHBondContact O-N 3.35Å
46A84.3Confident87.5Confident54 Ų5456.6 Ų56.645%0.44630%0.295SS..Hα-helixtrans-65-43.6177.300000112.5G42 V43 G44 E48 F49G42-A46 PolarHBondContact O-N 2.72Å; V43-A46 PolarHBondContact O-N 3.21Å; G44-A46 PolarHBondContact O-N 2.8Å; A46-E48 PolarHBondContact O-N 3.38Å; A46-F49 PolarHBondContact O-N 2.99Å
47R87.5Confident87.3Confident113 Ų11357.5 Ų57.543%0.42631%0.307SS..Hα-helixtrans-61.2-29.1177.7-172.9-170.370.1102.38112.3V43 G44 F49 F50 Y55V43-R47 WeakPolarHBondContact O-CB 3.49Å; V43-R47 PolarHBondContact O-N 2.98Å; V43-R47 VanDerWaalsContact O-N 3.09Å; G44-R47 WeakPolarHBondContact O-CB 3.39Å; G44-R47 PolarHBondContact O-N 2.96Å; R47-F49 VanDerWaalsContact C-N 3.3Å; R47-F49 PolarHBondContact O-N 3.42Å; R47-F50 PolarHBondContact O-N 3.15Å; R47-Y55 PolarHBondContact NH2-OH 3.4Å
48E89.8Confident87.1Confident0 Ų060.8 Ų60.80%032%0.322CS..Hα-helixtrans-70.5-24.5-175.1-75.9-163.4127.700115H21 H22 H30 W34 G44 W45 A46 F50 R51 I52 Y55H21-E48 IonicContact CD2-OE2 3.1Å; H21-E48 IonicContact CE1-OE2 3.99Å; H21-E48 PolarHBondContact CE1-OE2 3.46Å; H21-E48 IonicContact NE2-OE1 3.35Å; H21-E48 IonicContact NE2-OE2 3.02Å; H21-E48 PolarHBondContact NE2-OE2 2.84Å; H22-E48 IonicContact CD2-OE1 3.57Å; H22-E48 IonicContact CE1-OE1 3.28Å; H22-E48 PolarHBondContact CE1-OE1 3.3Å; H22-E48 VanDerWaalsContact NE2-CD 3.29Å; H22-E48 IonicContact NE2-OE1 3.9Å; H22-E48 PolarHBondContact NE2-OE1 3.49Å; H22-E48 IonicContact NE2-OE2 2.94Å; H22-E48 PolarHBondContact NE2-OE2 3.32Å; H30-E48 IonicContact CE1-OE1 3.34Å; H30-E48 PolarHBondContact CE1-OE1 2.77Å; H30-E48 IonicContact ND1-OE1 2.71Å; H30-E48 IonicContact NE2-OE1 3.81Å; W34-E48 VanDerWaalsContact CE2-OE2 3.24Å; W34-E48 HydrophobicContact CZ2-CG 3.84Å; W34-E48 WeakPolarHBondContact CZ2-OE1 3.02Å; W34-E48 WeakPolarHBondContact CZ2-OE2 3.4Å; W34-E48 PolarHBondContact NE1-OE2 3.13Å; G44-E48 VanDerWaalsContact O-CG 3.32Å; G44-E48 WeakPolarHBondContact O-CG 3.27Å; G44-E48 PolarHBondContact O-N 2.8Å; G44-E48 VanDerWaalsContact O-N 3.12Å; W45-E48 PolarHBondContact O-N 3.35Å; A46-E48 PolarHBondContact O-N 3.38Å; E48-F50 PolarHBondContact O-N 2.93Å; E48-F50 VanDerWaalsContact O-N 3.13Å; E48-R51 PolarHBondContact O-N 3.39Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 3.46Å; E48-Y55 HydrophobicContact CG-CE2 4.21Å; E48-Y55 WeakPolarHBondContact OE1-CE2 3.26Å
49F90.3Very high87.1Confident94 Ų9455.5 Ų55.541%0.41230%0.295SS..THydrogen-bonded Turntrans-48.2-44.1173.3-177.4-96.5000111.3Y9 W12 A46 R47Y9-F49 HydrophobicContact CD1-CD2 4.36Å; Y9-F49 HydrophobicContact CD1-CE2 4.42Å; Y9-F49 AromaticContact CE1-CD2 3.85Å; Y9-F49 HydrophobicContact CE1-CD2 3.85Å; Y9-F49 AromaticContact CE1-CE2 3.98Å; Y9-F49 HydrophobicContact CE1-CE2 3.98Å; Y9-F49 HydrophobicContact CE1-CG 4.48Å; Y9-F49 PolarHBondContact OH-O 3.16Å; W12-F49 HydrophobicContact CH2-CB 4.41Å; W12-F49 AromaticContact CH2-CD2 3.9Å; W12-F49 HydrophobicContact CH2-CD2 3.9Å; W12-F49 HydrophobicContact CZ2-CB 4.13Å; W12-F49 HydrophobicContact CZ2-CD2 4.38Å; W12-F49 HydrophobicContact CZ3-CD2 4.03Å; A46-F49 PolarHBondContact O-N 2.99Å; R47-F49 VanDerWaalsContact C-N 3.3Å; R47-F49 PolarHBondContact O-N 3.42Å
50F93.3Very high87.4Confident165 Ų16557.2 Ų57.272%0.72430%0.304SS*.THydrogen-bonded Turntrans-78.3-18.9178.5-56.7-74000114.5R47 E48R47-F50 PolarHBondContact O-N 3.15Å; E48-F50 PolarHBondContact O-N 2.93Å; E48-F50 VanDerWaalsContact O-N 3.13Å
51R91.4Very high87.2Confident130 Ų13065.6 Ų65.649%0.49133%0.331SS..THydrogen-bonded Turntrans-98.7-18.7-173.7-72.4-72.7-173.1169.3-2113.9E48 P53 A54 Y55E48-R51 PolarHBondContact O-N 3.39Å; R51-P53 VanDerWaalsContact C-CD 3.49Å; R51-A54 WeakPolarHBondContact O-CB 3.25Å; R51-A54 PolarHBondContact O-N 3.49Å; R51-Y55 HydrophobicContact CB-CD2 4.23Å; R51-Y55 HydrophobicContact CB-CE1 4.09Å; R51-Y55 HydrophobicContact CB-CE2 3.57Å; R51-Y55 VanDerWaalsContact CB-CZ 3.49Å; R51-Y55 PolarHBondContact O-N 2.94Å
52I93.6Very high86.6Confident0 Ų064.7 Ų64.70%033%0.328CS..Hα-helixtrans-49-47.2179.2-79.1163.6000113V5 T8 Y9 W12 E48 A54 Y55 V56V5-I52 HydrophobicContact CG1-CG2 4.36Å; T8-I52 HydrophobicContact CG2-CG1 4.29Å; T8-I52 HydrophobicContact CG2-CG2 3.7Å; Y9-I52 HydrophobicContact CD1-CB 4.45Å; Y9-I52 HydrophobicContact CD1-CD1 3.48Å; Y9-I52 VanDerWaalsContact CD1-CD1 3.48Å; Y9-I52 HydrophobicContact CD1-CG2 4.19Å; Y9-I52 HydrophobicContact CD2-CG2 4.09Å; Y9-I52 HydrophobicContact CE1-CB 3.9Å; Y9-I52 HydrophobicContact CE1-CD1 3.5Å; Y9-I52 HydrophobicContact CE1-CG1 4.29Å; Y9-I52 HydrophobicContact CE1-CG2 3.96Å; Y9-I52 HydrophobicContact CE2-CG2 3.88Å; Y9-I52 HydrophobicContact CG-CD1 4.36Å; Y9-I52 HydrophobicContact CG-CG2 4.24Å; W12-I52 HydrophobicContact CB-CD1 3.78Å; W12-I52 HydrophobicContact CD2-CD1 4.2Å; W12-I52 HydrophobicContact CG-CD1 3.65Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 3.46Å; I52-A54 VanDerWaalsContact C-N 3.28Å; I52-A54 PolarHBondContact O-N 3.02Å; I52-Y55 PolarHBondContact O-N 3.47Å; I52-Y55 VanDerWaalsContact O-N 3.07Å; I52-V56 HydrophobicContact CG2-CG2 4.4Å; I52-V56 WeakPolarHBondContact O-CG2 3.28Å; I52-V56 PolarHBondContact O-N 3.49Å
53P93.3Very high86.1Confident64 Ų6465.6 Ų65.642%0.41633%0.328SS..Hα-helixtrans-59.3-38.6179.5-25.635.7000113.1Y9 R51 G57Y9-P53 WeakPolarHBondContact OH-CD 3.36Å; R51-P53 VanDerWaalsContact C-CD 3.49Å; P53-G57 PolarHBondContact O-N 3.36Å; P53-G57 VanDerWaalsContact O-N 3.08Å
54A91Very high85.3Confident48 Ų4864.9 Ų64.940%0.39732%0.324SS..Hα-helixtrans-67.7-39.6176.300000111.7R51 I52 G57 E58R51-A54 WeakPolarHBondContact O-CB 3.25Å; R51-A54 PolarHBondContact O-N 3.49Å; I52-A54 VanDerWaalsContact C-N 3.28Å; I52-A54 PolarHBondContact O-N 3.02Å; A54-G57 PolarHBondContact O-N 2.84Å; A54-E58 PolarHBondContact O-N 2.81Å
55Y91.4Very high83.9Confident15 Ų1565.5 Ų65.56%0.05933%0.33CS..Hα-helixtrans-66-39.2178.3-59-29.8000112.8H22 R47 E48 R51 I52 G57 E58 A59H22-Y55 AromaticContact CE1-CE2 4Å; R47-Y55 PolarHBondContact NH2-OH 3.4Å; E48-Y55 HydrophobicContact CG-CE2 4.21Å; E48-Y55 WeakPolarHBondContact OE1-CE2 3.26Å; R51-Y55 HydrophobicContact CB-CD2 4.23Å; R51-Y55 HydrophobicContact CB-CE1 4.09Å; R51-Y55 HydrophobicContact CB-CE2 3.57Å; R51-Y55 VanDerWaalsContact CB-CZ 3.49Å; R51-Y55 PolarHBondContact O-N 2.94Å; I52-Y55 PolarHBondContact O-N 3.47Å; I52-Y55 VanDerWaalsContact O-N 3.07Å; Y55-G57 VanDerWaalsContact C-N 3.33Å; Y55-E58 PolarHBondContact O-N 2.88Å; Y55-A59 PolarHBondContact O-N 3.11Å
56V91.4Very high82.3Confident4 Ų462.7 Ų62.72%0.02433%0.33CS..Hα-helixtrans-65-41.1173.3179.90000110.9K3 V5 T8 L25 I52 A59 N60K3-V56 HydrophobicContact CB-CG1 4.19Å; K3-V56 VanDerWaalsContact O-CG1 3.26Å; K3-V56 WeakPolarHBondContact O-CG1 3.47Å; V5-V56 HydrophobicContact CB-CG2 4.48Å; V5-V56 HydrophobicContact CG2-CB 3.88Å; V5-V56 HydrophobicContact CG2-CG1 3.78Å; V5-V56 HydrophobicContact CG2-CG2 3.95Å; T8-V56 HydrophobicContact CG2-CG2 4.19Å; T8-V56 WeakPolarHBondContact OG1-CG2 3.46Å; L25-V56 HydrophobicContact CD2-CG2 3.97Å; I52-V56 HydrophobicContact CG2-CG2 4.4Å; I52-V56 WeakPolarHBondContact O-CG2 3.28Å; I52-V56 PolarHBondContact O-N 3.49Å; V56-A59 PolarHBondContact O-N 3.44Å; V56-N60 WeakPolarHBondContact O-CB 3.43Å; V56-N60 VanDerWaalsContact O-CG 3.32Å; V56-N60 PolarHBondContact O-N 2.94Å; V56-N60 PolarHBondContact O-ND2 3.45Å
57G87.9Confident80.7Confident29 Ų2967.7 Ų67.730%0.29935%0.348SS..Hα-helixtrans-58-46.3174.700000112.8P53 A54 Y55 R61P53-G57 PolarHBondContact O-N 3.36Å; P53-G57 VanDerWaalsContact O-N 3.08Å; A54-G57 PolarHBondContact O-N 2.84Å; Y55-G57 VanDerWaalsContact C-N 3.33Å; G57-R61 VanDerWaalsContact O-CG 3.24Å; G57-R61 WeakPolarHBondContact O-CG 3.27Å; G57-R61 PolarHBondContact O-N 3Å
58E85.9Confident78.8Confident73 Ų7373 Ų7334%0.34137%0.368SS..Hα-helixtrans-60.7-52175-85.9172.5172.800112.1R27 A54 Y55 N60 R61 E62R27-E58 IonicContact CZ-OE2 3.22Å; R27-E58 IonicContact NH1-OE2 3.79Å; R27-E58 PolarHBondContact NH1-OE2 3.19Å; R27-E58 IonicContact NH2-OE2 3.67Å; A54-E58 PolarHBondContact O-N 2.81Å; Y55-E58 PolarHBondContact O-N 2.88Å; E58-N60 VanDerWaalsContact C-N 3.25Å; E58-N60 PolarHBondContact O-N 3.01Å; E58-R61 WeakPolarHBondContact O-CB 3.5Å; E58-R61 PolarHBondContact O-N 3.39Å; E58-E62 PolarHBondContact O-N 3.01Å; E58-E62 VanDerWaalsContact O-N 3.1Å
59A84.9Confident76.9Confident8 Ų878.6 Ų78.67%0.06640%0.398CS..Hα-helixtrans-60.5-34.9-178.500000112.9K3 L25 Y55 V56 T63K3-A59 HydrophobicContact CG-CB 4.18Å; L25-A59 HydrophobicContact CB-CB 4.4Å; L25-A59 HydrophobicContact CD2-CB 4.03Å; Y55-A59 PolarHBondContact O-N 3.11Å; V56-A59 PolarHBondContact O-N 3.44Å; A59-T63 PolarHBondContact O-N 3.41Å; A59-T63 PolarHBondContact O-OG1 2.96Å
60N86.5Confident74.9Confident35 Ų3579.9 Ų79.919%0.18742%0.419CS..Hα-helixtrans-74-35.8176.1-73.8-22.5000112.4K3 V56 E58 E62 T63 V64K3-N60 WeakPolarHBondContact CB-OD1 3.41Å; K3-N60 PolarHBondContact N-OD1 3.12Å; K3-N60 PolarHBondContact O-ND2 3.49Å; V56-N60 WeakPolarHBondContact O-CB 3.43Å; V56-N60 VanDerWaalsContact O-CG 3.32Å; V56-N60 PolarHBondContact O-N 2.94Å; V56-N60 PolarHBondContact O-ND2 3.45Å; E58-N60 VanDerWaalsContact C-N 3.25Å; E58-N60 PolarHBondContact O-N 3.01Å; N60-E62 VanDerWaalsContact C-N 3.34Å; N60-T63 PolarHBondContact O-N 3.24Å; N60-V64 WeakPolarHBondContact O-CG2 3.11Å; N60-V64 PolarHBondContact O-N 3.11Å; N60-V64 VanDerWaalsContact O-N 3.08Å
61R79.4Confident72.5Confident191 Ų19181.4 Ų81.472%0.72143%0.425SS*.Hα-helixtrans-63.8-38.3175.5-77.3171.5-179.3-175.40.6112.1G57 E58 V64 G65G57-R61 VanDerWaalsContact O-CG 3.24Å; G57-R61 WeakPolarHBondContact O-CG 3.27Å; G57-R61 PolarHBondContact O-N 3Å; E58-R61 WeakPolarHBondContact O-CB 3.5Å; E58-R61 PolarHBondContact O-N 3.39Å; R61-V64 PolarHBondContact O-N 3.4Å; R61-G65 WeakPolarHBondContact O-CA 3.33Å; R61-G65 PolarHBondContact O-N 2.9Å
62E69.6Low70.4Confident83 Ų8385.2 Ų85.239%0.38844%0.439SS..Hα-helixtrans-65.8-40.9175.8-71.6171.6-167.600112E58 N60 V64 G66 E131 H177E58-E62 PolarHBondContact O-N 3.01Å; E58-E62 VanDerWaalsContact O-N 3.1Å; N60-E62 VanDerWaalsContact C-N 3.34Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 3.35Å; E62-G66 PolarHBondContact O-N 3.48Å; E62-G66 VanDerWaalsContact O-N 3.12Å; E62-E131 VanDerWaalsContact OE1-CD 3.29Å; E62-H177 IonicContact OE1-CE1 2.85Å
63T66.5Low68.3Low52 Ų5294 Ų9432%0.31948%0.48SS..Hα-helixtrans-64.3-35.6178.1-54.80000112A59 N60A59-T63 PolarHBondContact O-N 3.41Å; A59-T63 PolarHBondContact O-OG1 2.96Å; N60-T63 PolarHBondContact O-N 3.24Å
64V62.3Low66.3Low99 Ų9996 Ų9660%0.649%0.493SS*.Hα-helixtrans-90.8-36-177.9177.30000112.4N60 R61 E62N60-V64 WeakPolarHBondContact O-CG2 3.11Å; N60-V64 PolarHBondContact O-N 3.11Å; N60-V64 VanDerWaalsContact O-N 3.08Å; R61-V64 PolarHBondContact O-N 3.4Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 3.35Å
65G54.9Low64.6Low25 Ų25102.1 Ų102.126%0.25852%0.517SS..Hα-helixtrans-78.4-21.4-177.600000114.5R61 L67 R68 D69R61-G65 WeakPolarHBondContact O-CA 3.33Å; R61-G65 PolarHBondContact O-N 2.9Å; G65-L67 PolarHBondContact O-N 3.47Å; G65-R68 PolarHBondContact O-N 3.33Å; G65-D69 PolarHBondContact O-N 3.23Å
66G53.4Low63.3Low34 Ų34104.9 Ų104.935%0.35154%0.543SS..THydrogen-bonded Turntrans-60.2-11.8172.800000114.9E62 S180E62-G66 PolarHBondContact O-N 3.48Å; E62-G66 VanDerWaalsContact O-N 3.12Å; G66-S180 WeakPolarHBondContact O-CB 3.35Å; G66-S180 PolarHBondContact O-OG 3.23Å; G66-S180 VanDerWaalsContact O-OG 3.1Å
67L50.7Low62.4Low159 Ų159115.2 Ų115.283%0.83258%0.582SS**THydrogen-bonded Turntrans-90.5-14.9173.1-73.5160.8000113.8G65G65-L67 PolarHBondContact O-N 3.47Å
68R48.1Very low61.9Low226 Ų226118.4 Ų118.485%0.85360%0.597SS**THydrogen-bonded Turntrans-117.9-28.1-169.5-106.6179.8166.9-174.2-3.8115.9G65G65-R68 PolarHBondContact O-N 3.33Å
69D49.6Very low61.8Low116 Ų116115 Ų11562%0.6258%0.581SS**  trans-113.729.9-161.9-79.8-36.9000116.9G65 K71G65-D69 PolarHBondContact O-N 3.23Å; D69-K71 PolarHBondContact O-N 3.2Å
70S47.8Very low61.9Low121 Ų121119.2 Ų119.285%0.84661%0.608SS**THydrogen-bonded Turntrans-68.73173.1-166.90000114.8
71K43.8Very low61.9Low197 Ų197122.8 Ų122.886%0.85763%0.631SS**THydrogen-bonded Turntrans-131.79.2-168.2-79.7-170.1178-178.70117.6D69D69-K71 PolarHBondContact O-N 3.2Å
72R45.8Very low62.4Low211 Ų211116.4 Ų116.480%0.79662%0.616SS**  trans-13989.9178.3-73.1-177.8177.8175.3-1.3112.5P74R72-P74 WeakPolarHBondContact O-CD 3.42Å
73H51.1Low63.4Low185 Ų185118.4 Ų118.486%0.85663%0.633SS**  trans-10791.7154.2-78.1-56.6000108.8
74P49.3Very low64.6Low106 Ų106119.5 Ų119.569%0.68865%0.648SS**  trans-66.6147.7161.216.2-5.4000108.4R72 A76R72-P74 WeakPolarHBondContact O-CD 3.42Å; P74-A76 WeakPolarHBondContact O-CA 3.32Å; P74-A76 PolarHBondContact O-N 3.16Å
75I57.1Low66Low176 Ų176116.7 Ų116.790%0.90363%0.626SS**  trans-32.399.9178-59.3164.1000110.6R77I75-R77 PolarHBondContact O-N 3.14Å
76A62.9Low67.9Low73 Ų73118.7 Ų118.760%0.60363%0.628SS**  trans-77.4110-166.100000110.1P74P74-A76 WeakPolarHBondContact O-CA 3.32Å; P74-A76 PolarHBondContact O-N 3.16Å
77R71.9Confident69.7Low221 Ų221119.2 Ų119.283%0.83463%0.629SS**PPolyproline II helixtrans-56141.9166.5-67.2-178.1179.6-178.9-0.4109I75I75-R77 PolarHBondContact O-N 3.14Å
78P77.9Confident71.7Confident95 Ų95112.7 Ų112.762%0.61760%0.6SS**PPolyproline II helixtrans-60.8148.4178.525.9-33.9000110.4
79P84.2Confident74Confident2 Ų2102 Ų1021%0.01356%0.56CS.*PPolyproline II helixtrans-62.6152.5179.126.5-34.7000111.6Q132 R172 F174P79-Q132 HydrophobicContact CB-CG 3.76Å; P79-Q132 HydrophobicContact CG-CB 4.47Å; P79-Q132 HydrophobicContact CG-CG 3.94Å; P79-R172 HydrophobicContact CG-CB 3.67Å; P79-R172 PolarHBondContact O-NE 3.37Å; P79-F174 HydrophobicContact CB-CE1 4.02Å; P79-F174 HydrophobicContact CB-CE2 4.08Å; P79-F174 HydrophobicContact CB-CZ 3.7Å
80P86.9Confident76.2Confident96 Ų9698 Ų9862%0.62354%0.538SS*.PPolyproline II helixtrans-62.6147.3-17626-34.6000112.3
81V86.1Confident78.3Confident111 Ų11195.1 Ų95.167%0.67352%0.518SS*.PPolyproline II helixtrans-61.8137.4170.5-69.30000109.8R172V81-R172 VanDerWaalsContact CG1-CZ 3.48Å; V81-R172 VanDerWaalsContact CG1-NH1 3.3Å
82S90.5Very high80.8Confident57 Ų5786 Ų8640%0.39948%0.479SS..  trans-127.1117.8171.9174.20000108.8A84 R85 F86S82-A84 VanDerWaalsContact C-N 3.26Å; S82-A84 PolarHBondContact O-N 3.49Å; S82-R85 PolarHBondContact O-N 3.41Å; S82-R85 VanDerWaalsContact O-N 3.14Å; S82-R85 PolarHBondContact OG-N 3.34Å; S82-F86 PolarHBondContact O-N 3.4Å
83V91.4Very high83.2Confident125 Ų12576 Ų7676%0.75844%0.441SS*.Hα-helixtrans-59.1-41.5177179.80000110.6R85 F86 A87V83-R85 VanDerWaalsContact C-N 3.33Å; V83-R85 PolarHBondContact O-N 2.94Å; V83-F86 PolarHBondContact O-N 3.23Å; V83-A87 WeakPolarHBondContact O-CB 3.45Å; V83-A87 PolarHBondContact O-N 2.93Å
84A90Very high85.2Confident75 Ų7569.5 Ų69.562%0.6241%0.412SS*.Hα-helixtrans-62-39.5176.700000112.3S82 G88S82-A84 VanDerWaalsContact C-N 3.26Å; S82-A84 PolarHBondContact O-N 3.49Å; A84-G88 PolarHBondContact O-N 2.85Å
85R92.3Very high87.2Confident39 Ų3967.7 Ų67.715%0.14739%0.392CS..Hα-helixtrans-67.5-42.9175.6-168.5-177.9-164.988.1-14.5111.3S82 V83 G88 Q89 V126 S127 V129 Q132S82-R85 PolarHBondContact O-N 3.41Å; S82-R85 VanDerWaalsContact O-N 3.14Å; S82-R85 PolarHBondContact OG-N 3.34Å; V83-R85 VanDerWaalsContact C-N 3.33Å; V83-R85 PolarHBondContact O-N 2.94Å; R85-G88 PolarHBondContact O-N 3.37Å; R85-Q89 VanDerWaalsContact O-CG 3.29Å; R85-Q89 WeakPolarHBondContact O-CG 3.47Å; R85-Q89 PolarHBondContact O-N 3.5Å; R85-V126 HydrophobicContact CG-CG1 4.23Å; R85-V126 PolarHBondContact NH2-O 3.08Å; R85-S127 PolarHBondContact NH2-O 3.27Å; R85-V129 PolarHBondContact NH1-O 2.94Å; R85-V129 PolarHBondContact NH2-O 2.93Å; R85-Q132 PolarHBondContact NH2-O 3.29Å
86F94.8Very high89.1Confident67 Ų6760.1 Ų60.129%0.29435%0.353SS..Hα-helixtrans-62.1-47.4178-175.7-102000111.8S82 V83 G88 Q89 I90 V166 S169S82-F86 PolarHBondContact O-N 3.4Å; V83-F86 PolarHBondContact O-N 3.23Å; F86-G88 VanDerWaalsContact C-N 3.31Å; F86-G88 PolarHBondContact O-N 3.21Å; F86-Q89 WeakPolarHBondContact O-CB 3.41Å; F86-Q89 PolarHBondContact O-N 3.22Å; F86-I90 HydrophobicContact CD1-CD1 3.94Å; F86-I90 HydrophobicContact CE1-CD1 3.44Å; F86-I90 VanDerWaalsContact CE1-CD1 3.44Å; F86-I90 HydrophobicContact CE1-CG1 4.49Å; F86-I90 HydrophobicContact CZ-CD1 3.82Å; F86-I90 PolarHBondContact O-N 3.45Å; F86-I90 VanDerWaalsContact O-N 3.09Å; F86-V166 HydrophobicContact CE2-CG2 4.14Å; F86-V166 HydrophobicContact CZ-CG2 4.08Å; F86-S169 WeakPolarHBondContact CD2-OG 3.43Å
87A91.9Very high90.6Very high46 Ų4656.6 Ų56.638%0.3832%0.324SS..Hα-helixtrans-60.6-40.9173.900000111.9V83 I90 S91V83-A87 WeakPolarHBondContact O-CB 3.45Å; V83-A87 PolarHBondContact O-N 2.93Å; A87-I90 PolarHBondContact O-N 3.03Å; A87-S91 WeakPolarHBondContact O-CB 3.47Å; A87-S91 PolarHBondContact O-N 3.48Å; A87-S91 PolarHBondContact O-OG 2.86Å
88G92.4Very high91.3Very high22 Ų2248.1 Ų48.123%0.22730%0.296CS..Hα-helixtrans-62.4-41.4174.100000113.1A84 R85 F86 S91 V92A84-G88 PolarHBondContact O-N 2.85Å; R85-G88 PolarHBondContact O-N 3.37Å; F86-G88 VanDerWaalsContact C-N 3.31Å; F86-G88 PolarHBondContact O-N 3.21Å; G88-S91 PolarHBondContact O-N 3.16Å; G88-V92 WeakPolarHBondContact O-CB 3.31Å; G88-V92 VanDerWaalsContact O-CG2 3.26Å; G88-V92 WeakPolarHBondContact O-CG2 3.28Å; G88-V92 PolarHBondContact O-N 2.82Å
89Q97.1Very high91.9Very high2 Ų244.4 Ų44.41%0.00927%0.272CS..Hα-helixtrans-60-47.8176.4-75.1165.8-22.400110.7R85 F86 G93 V123 V126 S127 S161 S165R85-Q89 VanDerWaalsContact O-CG 3.29Å; R85-Q89 WeakPolarHBondContact O-CG 3.47Å; R85-Q89 PolarHBondContact O-N 3.5Å; F86-Q89 WeakPolarHBondContact O-CB 3.41Å; F86-Q89 PolarHBondContact O-N 3.22Å; Q89-G93 PolarHBondContact O-N 2.93Å; Q89-V123 HydrophobicContact CB-CG1 4.2Å; Q89-V123 HydrophobicContact CG-CG1 4.31Å; Q89-V123 WeakPolarHBondContact O-CG2 3.32Å; Q89-V126 HydrophobicContact CG-CB 3.95Å; Q89-V126 HydrophobicContact CG-CG1 3.82Å; Q89-S127 PolarHBondContact NE2-OG 3.11Å; Q89-S161 PolarHBondContact O-OG 3.42Å; Q89-S165 VanDerWaalsContact CB-OG 3.31Å; Q89-S165 WeakPolarHBondContact CB-OG 3.43Å
90I94.1Very high92.3Very high32 Ų3244.3 Ų44.316%0.16427%0.272CS..Hα-helixtrans-61.5-49.8177.2-64.9172.5000110.6F86 A87 V92 G93 I94 S161 I162 S165F86-I90 HydrophobicContact CD1-CD1 3.94Å; F86-I90 HydrophobicContact CE1-CD1 3.44Å; F86-I90 VanDerWaalsContact CE1-CD1 3.44Å; F86-I90 HydrophobicContact CE1-CG1 4.49Å; F86-I90 HydrophobicContact CZ-CD1 3.82Å; F86-I90 PolarHBondContact O-N 3.45Å; F86-I90 VanDerWaalsContact O-N 3.09Å; A87-I90 PolarHBondContact O-N 3.03Å; I90-V92 PolarHBondContact O-N 3.43Å; I90-G93 PolarHBondContact O-N 3.47Å; I90-I94 HydrophobicContact CG2-CD1 3.71Å; I90-I94 HydrophobicContact CG2-CG1 4.47Å; I90-I94 WeakPolarHBondContact O-CD1 3.22Å; I90-I94 VanDerWaalsContact O-CG1 3.24Å; I90-I94 WeakPolarHBondContact O-CG1 3.34Å; I90-I94 PolarHBondContact O-N 3.39Å; I90-S161 WeakPolarHBondContact CA-OG 3.49Å; I90-S161 PolarHBondContact O-OG 3.49Å; I90-I162 HydrophobicContact CD1-CG1 4.24Å; I90-I162 HydrophobicContact CG1-CG1 4.46Å; I90-I162 HydrophobicContact CG2-CG1 4.35Å; I90-S165 WeakPolarHBondContact CG1-OG 3.37Å; I90-S165 PolarHBondContact N-OG 3.08Å
91S92.8Very high92.2Very high60 Ų6040.8 Ų40.842%0.4225%0.247SC..Hα-helixtrans-62.6-45.5-175.8-53.90000112.1A87 G88 Y95A87-S91 WeakPolarHBondContact O-CB 3.47Å; A87-S91 PolarHBondContact O-N 3.48Å; A87-S91 PolarHBondContact O-OG 2.86Å; G88-S91 PolarHBondContact O-N 3.16Å; S91-Y95 WeakPolarHBondContact O-CB 3.29Å; S91-Y95 PolarHBondContact O-N 3.06Å
92V95.5Very high92Very high6 Ų637 Ų374%0.03622%0.223CC..Hα-helixtrans-74.2-34.2-179.2177.10000111.6L33 T37 F41 G88 I90 Y95 F96 V126L33-V92 HydrophobicContact CD1-CG1 3.91Å; L33-V92 HydrophobicContact CD1-CG2 3.91Å; T37-V92 HydrophobicContact CG2-CG2 4.41Å; F41-V92 HydrophobicContact CE2-CG2 3.91Å; F41-V92 HydrophobicContact CZ-CG2 4.28Å; G88-V92 WeakPolarHBondContact O-CB 3.31Å; G88-V92 VanDerWaalsContact O-CG2 3.26Å; G88-V92 WeakPolarHBondContact O-CG2 3.28Å; G88-V92 PolarHBondContact O-N 2.82Å; I90-V92 PolarHBondContact O-N 3.43Å; V92-Y95 PolarHBondContact O-N 3.17Å; V92-F96 HydrophobicContact CG1-CD2 3.78Å; V92-F96 HydrophobicContact CG1-CE2 3.68Å; V92-F96 VanDerWaalsContact O-CD2 3.27Å; V92-F96 WeakPolarHBondContact O-CD2 3.37Å; V92-F96 PolarHBondContact O-N 3.47Å; V92-V126 HydrophobicContact CB-CG2 3.51Å; V92-V126 HydrophobicContact CG1-CG2 3.81Å; V92-V126 HydrophobicContact CG2-CG2 3.51Å
93G96.7Very high91.8Very high0 Ų035 Ų350%021%0.211CC..Hα-helixtrans-63.8-44.1173.700000112.2Q89 I90 F96 G97 S161Q89-G93 PolarHBondContact O-N 2.93Å; I90-G93 PolarHBondContact O-N 3.47Å; G93-F96 PolarHBondContact O-N 3.27Å; G93-G97 PolarHBondContact O-N 2.9Å; G93-S161 WeakPolarHBondContact CA-OG 3.35Å
94I92.4Very high91.6Very high49 Ų4931 Ų3125%0.25119%0.186SC..Hα-helixtrans-58.2-49.8171.6-66.3162.9000110.1I90 F96 G97 T98 L158I90-I94 HydrophobicContact CG2-CD1 3.71Å; I90-I94 HydrophobicContact CG2-CG1 4.47Å; I90-I94 WeakPolarHBondContact O-CD1 3.22Å; I90-I94 VanDerWaalsContact O-CG1 3.24Å; I90-I94 WeakPolarHBondContact O-CG1 3.34Å; I90-I94 PolarHBondContact O-N 3.39Å; I94-F96 VanDerWaalsContact C-N 3.35Å; I94-F96 PolarHBondContact O-N 3.25Å; I94-G97 PolarHBondContact O-N 2.79Å; I94-G97 VanDerWaalsContact O-N 3.08Å; I94-T98 PolarHBondContact O-N 3.48Å; I94-T98 PolarHBondContact O-OG1 3.46Å; I94-L158 HydrophobicContact CD1-CD1 3.52Å; I94-L158 HydrophobicContact CG1-CB 4.49Å; I94-L158 HydrophobicContact CG1-CD1 4.26Å
95Y93.3Very high91.3Very high68 Ų6830 Ų3027%0.26717%0.17SC..Hα-helixtrans-55.1-47.3179.1170.7-113.5000112.5L36 T37 F41 S91 V92 G97 T98 V99 F200L36-Y95 VanDerWaalsContact O-CE1 3.24Å; L36-Y95 WeakPolarHBondContact O-CE1 3.14Å; L36-Y95 PolarHBondContact O-OH 2.96Å; T37-Y95 HydrophobicContact CG2-CD1 4.1Å; T37-Y95 HydrophobicContact CG2-CE1 4.1Å; F41-Y95 HydrophobicContact CE1-CD1 4.22Å; F41-Y95 HydrophobicContact CE1-CD2 4.04Å; F41-Y95 AromaticContact CE1-CG 3.9Å; F41-Y95 HydrophobicContact CE1-CG 3.9Å; F41-Y95 HydrophobicContact CZ-CD1 4.11Å; F41-Y95 HydrophobicContact CZ-CD2 4.45Å; F41-Y95 AromaticContact CZ-CG 3.88Å; F41-Y95 HydrophobicContact CZ-CG 3.88Å; S91-Y95 WeakPolarHBondContact O-CB 3.29Å; S91-Y95 PolarHBondContact O-N 3.06Å; V92-Y95 PolarHBondContact O-N 3.17Å; Y95-G97 VanDerWaalsContact C-N 3.33Å; Y95-G97 PolarHBondContact O-N 3.19Å; Y95-T98 PolarHBondContact O-N 2.87Å; Y95-V99 HydrophobicContact CD2-CG2 4.27Å; Y95-V99 HydrophobicContact CE1-CG2 4.43Å; Y95-V99 HydrophobicContact CE2-CG2 3.75Å; Y95-V99 WeakPolarHBondContact O-CB 3.22Å; Y95-V99 WeakPolarHBondContact O-CG2 3.45Å; Y95-V99 PolarHBondContact O-N 3.31Å; Y95-F200 HydrophobicContact CE1-CE1 4.28Å; Y95-F200 AromaticContact CE1-CZ 3.69Å; Y95-F200 HydrophobicContact CE1-CZ 3.69Å
96F96.1Very high90.9Very high16 Ų1633.9 Ų33.97%0.0720%0.203CC..Hα-helixtrans-64-38.2177-87.6-128.1000112.1L36 V92 G93 I94 V99 A100 C118 A121 L125 F200L36-F96 HydrophobicContact CD1-CE1 4.41Å; L36-F96 HydrophobicContact CD1-CE2 4.44Å; L36-F96 HydrophobicContact CD1-CZ 3.63Å; V92-F96 HydrophobicContact CG1-CD2 3.78Å; V92-F96 HydrophobicContact CG1-CE2 3.68Å; V92-F96 VanDerWaalsContact O-CD2 3.27Å; V92-F96 WeakPolarHBondContact O-CD2 3.37Å; V92-F96 PolarHBondContact O-N 3.47Å; G93-F96 PolarHBondContact O-N 3.27Å; I94-F96 VanDerWaalsContact C-N 3.35Å; I94-F96 PolarHBondContact O-N 3.25Å; F96-V99 PolarHBondContact O-N 3.1Å; F96-A100 WeakPolarHBondContact O-CB 3.35Å; F96-A100 PolarHBondContact O-N 3.36Å; F96-C118 WeakPolarHBondContact CB-O 3.45Å; F96-C118 WeakPolarHBondContact CD1-O 3.48Å; F96-A121 HydrophobicContact CD1-CB 4.41Å; F96-L125 HydrophobicContact CE2-CD2 4.49Å; F96-L125 HydrophobicContact CZ-CD2 3.83Å; F96-F200 HydrophobicContact CD1-CD2 4.21Å; F96-F200 AromaticContact CD1-CE2 3.68Å; F96-F200 HydrophobicContact CD1-CE2 3.68Å; F96-F200 AromaticContact CD2-CE2 3.84Å; F96-F200 HydrophobicContact CD2-CE2 3.84Å; F96-F200 HydrophobicContact CD2-CZ 4.23Å; F96-F200 AromaticContact CE1-CD2 3.84Å; F96-F200 HydrophobicContact CE1-CD2 3.84Å; F96-F200 AromaticContact CE1-CE2 3.59Å; F96-F200 HydrophobicContact CE1-CE2 3.59Å; F96-F200 AromaticContact CE2-CE2 3.74Å; F96-F200 HydrophobicContact CE2-CE2 3.74Å; F96-F200 HydrophobicContact CE2-CZ 4.12Å; F96-F200 AromaticContact CG-CE2 3.81Å; F96-F200 HydrophobicContact CG-CE2 3.81Å; F96-F200 HydrophobicContact CZ-CD2 4.05Å; F96-F200 AromaticContact CZ-CE2 3.62Å; F96-F200 HydrophobicContact CZ-CE2 3.62Å; F96-F200 HydrophobicContact CZ-CZ 4.36Å
97G93.9Very high90.4Very high0 Ų034.7 Ų34.70%021%0.21CC..Hα-helixtrans-65.8-41.6175.200000112.9G93 I94 Y95 A100 L101G93-G97 PolarHBondContact O-N 2.9Å; I94-G97 PolarHBondContact O-N 2.79Å; I94-G97 VanDerWaalsContact O-N 3.08Å; Y95-G97 VanDerWaalsContact C-N 3.33Å; Y95-G97 PolarHBondContact O-N 3.19Å; G97-A100 WeakPolarHBondContact O-CB 3.24Å; G97-A100 PolarHBondContact O-N 2.99Å; G97-L101 WeakPolarHBondContact O-CG 2.84Å; G97-L101 PolarHBondContact O-N 3.03Å
98T87.9Confident90.2Very high42 Ų4237.2 Ų37.226%0.25823%0.225SC..Hα-helixtrans-63.7-43.8174.5-57.80000111.4I94 Y95 A100 L101 I102I94-T98 PolarHBondContact O-N 3.48Å; I94-T98 PolarHBondContact O-OG1 3.46Å; Y95-T98 PolarHBondContact O-N 2.87Å; T98-A100 VanDerWaalsContact C-N 3.29Å; T98-A100 PolarHBondContact O-N 3.29Å; T98-L101 WeakPolarHBondContact O-CB 3.28Å; T98-L101 PolarHBondContact O-N 3Å; T98-L101 VanDerWaalsContact O-N 3.17Å; T98-I102 HydrophobicContact CG2-CD1 4.07Å; T98-I102 WeakPolarHBondContact O-CG1 3.48Å; T98-I102 PolarHBondContact O-N 3.04Å
99V90.3Very high90Very high17 Ų1742.9 Ų42.910%0.10324%0.243CC..Hα-helixtrans-58-43173.61580000111.4Y95 F96 I102 G103 F200 L204Y95-V99 HydrophobicContact CD2-CG2 4.27Å; Y95-V99 HydrophobicContact CE1-CG2 4.43Å; Y95-V99 HydrophobicContact CE2-CG2 3.75Å; Y95-V99 WeakPolarHBondContact O-CB 3.22Å; Y95-V99 WeakPolarHBondContact O-CG2 3.45Å; Y95-V99 PolarHBondContact O-N 3.31Å; F96-V99 PolarHBondContact O-N 3.1Å; V99-I102 PolarHBondContact O-N 2.93Å; V99-G103 PolarHBondContact O-N 3.22Å; V99-F200 HydrophobicContact CB-CE2 4.46Å; V99-F200 HydrophobicContact CB-CZ 4.03Å; V99-F200 HydrophobicContact CG1-CE1 4.04Å; V99-F200 HydrophobicContact CG1-CE2 3.92Å; V99-F200 HydrophobicContact CG1-CZ 3.65Å; V99-F200 HydrophobicContact CG2-CE1 4.3Å; V99-F200 HydrophobicContact CG2-CZ 3.85Å; V99-L204 HydrophobicContact CB-CD1 4.33Å; V99-L204 HydrophobicContact CB-CD2 4.31Å; V99-L204 HydrophobicContact CG1-CD1 3.53Å; V99-L204 HydrophobicContact CG1-CD2 3.82Å; V99-L204 HydrophobicContact CG1-CG 3.68Å; V99-L204 HydrophobicContact CG2-CD1 3.96Å; V99-L204 HydrophobicContact CG2-CD2 4.32Å
100A91.9Very high89.7Confident1 Ų143 Ų431%0.00824%0.244CC..Hα-helixtrans-64.9-39.6176.300000112.2F96 G97 T98 I102 G103 L104 N105 F110 L115 C118F96-A100 WeakPolarHBondContact O-CB 3.35Å; F96-A100 PolarHBondContact O-N 3.36Å; G97-A100 WeakPolarHBondContact O-CB 3.24Å; G97-A100 PolarHBondContact O-N 2.99Å; T98-A100 VanDerWaalsContact C-N 3.29Å; T98-A100 PolarHBondContact O-N 3.29Å; A100-I102 VanDerWaalsContact C-N 3.25Å; A100-I102 PolarHBondContact O-N 3.37Å; A100-G103 PolarHBondContact O-N 3.03Å; A100-L104 HydrophobicContact CB-CD1 4.38Å; A100-L104 CarbonylContact O-C 3.52Å; A100-L104 WeakPolarHBondContact O-CA 3.42Å; A100-L104 WeakPolarHBondContact O-CB 3.2Å; A100-L104 PolarHBondContact O-N 3.25Å; A100-N105 PolarHBondContact O-N 2.89Å; A100-F110 VanDerWaalsContact C-CZ 3.49Å; A100-F110 HydrophobicContact CB-CE2 3.94Å; A100-F110 HydrophobicContact CB-CZ 4.01Å; A100-F110 VanDerWaalsContact O-CE2 3.29Å; A100-F110 WeakPolarHBondContact O-CE2 3.33Å; A100-F110 WeakPolarHBondContact O-CZ 3.26Å; A100-L115 HydrophobicContact CB-CD1 4.36Å; A100-C118 HydrophobicContact CB-CB 3.7Å
101L85.4Confident89.4Confident21 Ų2143.1 Ų43.111%0.1124%0.242CC..Hα-helixtrans-60.8-35.9174.7-77.4162.1000112G97 T98 N105 F110 Y111 L115 P157G97-L101 WeakPolarHBondContact O-CG 2.84Å; G97-L101 PolarHBondContact O-N 3.03Å; T98-L101 WeakPolarHBondContact O-CB 3.28Å; T98-L101 PolarHBondContact O-N 3Å; T98-L101 VanDerWaalsContact O-N 3.17Å; L101-N105 WeakPolarHBondContact O-CB 3.42Å; L101-F110 HydrophobicContact CB-CZ 4.5Å; L101-F110 HydrophobicContact CD2-CE1 3.52Å; L101-F110 HydrophobicContact CD2-CZ 4.01Å; L101-F110 HydrophobicContact CG-CE1 4.09Å; L101-F110 HydrophobicContact CG-CZ 4.09Å; L101-Y111 HydrophobicContact CD2-CE1 3.84Å; L101-L115 HydrophobicContact CG-CD1 4.31Å; L101-P157 HydrophobicContact CD1-CG 3.65Å
102I82.2Confident89.3Confident32 Ų3242.8 Ų42.816%0.16424%0.236CC..Hα-helixtrans-77.6-43.6179.2-65164.8000111.6T98 V99 A100 L204 S207 T215T98-I102 HydrophobicContact CG2-CD1 4.07Å; T98-I102 WeakPolarHBondContact O-CG1 3.48Å; T98-I102 PolarHBondContact O-N 3.04Å; V99-I102 PolarHBondContact O-N 2.93Å; A100-I102 VanDerWaalsContact C-N 3.25Å; A100-I102 PolarHBondContact O-N 3.37Å; I102-L204 HydrophobicContact CB-CD2 4.18Å; I102-L204 HydrophobicContact CG2-CD2 4Å; I102-S207 WeakPolarHBondContact O-CB 2.97Å; I102-S207 PolarHBondContact O-OG 3.45Å; I102-T215 HydrophobicContact CG2-CG2 3.81Å
103G84.5Confident89.3Confident15 Ų1546.7 Ų46.716%0.15526%0.255CS..Hα-helixtrans-95.9-22.2-169.100000115.5V99 A100V99-G103 PolarHBondContact O-N 3.22Å; A100-G103 PolarHBondContact O-N 3.03Å
104L88Confident89.2Confident41 Ų4148 Ų4822%0.21526%0.264CS..THydrogen-bonded Turntrans-134.51.2-163.6-61.4174000114.4A100 S106 L107 F110 V114 P203A100-L104 HydrophobicContact CB-CD1 4.38Å; A100-L104 CarbonylContact O-C 3.52Å; A100-L104 WeakPolarHBondContact O-CA 3.42Å; A100-L104 WeakPolarHBondContact O-CB 3.2Å; A100-L104 PolarHBondContact O-N 3.25Å; L104-S106 PolarHBondContact O-N 3.44Å; L104-S106 VanDerWaalsContact O-N 3.08Å; L104-L107 HydrophobicContact CB-CD1 4.15Å; L104-L107 HydrophobicContact CD2-CD1 3.94Å; L104-L107 WeakPolarHBondContact O-CB 3.13Å; L104-L107 WeakPolarHBondContact O-CG 3.31Å; L104-L107 PolarHBondContact O-N 3.33Å; L104-F110 HydrophobicContact CB-CD2 4.18Å; L104-F110 HydrophobicContact CB-CE2 3.87Å; L104-F110 WeakPolarHBondContact O-CD2 3.26Å; L104-V114 HydrophobicContact CB-CG1 4.17Å; L104-V114 HydrophobicContact CD1-CG1 3.97Å; L104-P203 HydrophobicContact CD2-CB 3.55Å; L104-P203 HydrophobicContact CD2-CG 3.83Å; L104-P203 HydrophobicContact CG-CB 4.01Å; L104-P203 HydrophobicContact CG-CG 4.47Å
105N84.2Confident89.3Confident55 Ų5545.7 Ų45.729%0.29425%0.252SS..THydrogen-bonded Turntrans-62.6-17.9-175.9-172.340.3000114.3A100 L101 L107 F110 Y111A100-N105 PolarHBondContact O-N 2.89Å; L101-N105 WeakPolarHBondContact O-CB 3.42Å; N105-L107 PolarHBondContact O-N 3.23Å; N105-F110 HydrophobicContact CB-CD1 4.36Å; N105-F110 HydrophobicContact CB-CE1 4.33Å; N105-F110 HydrophobicContact CB-CZ 4.48Å; N105-F110 VanDerWaalsContact OD1-CD1 3.22Å; N105-F110 WeakPolarHBondContact OD1-CD1 3.19Å; N105-Y111 WeakPolarHBondContact OD1-CE2 3.27Å
106S82.6Confident89.5Confident119 Ų11942.5 Ų42.583%0.83224%0.239SC*.THydrogen-bonded Turntrans-75.3-8.2174.762.40000114.1L104L104-S106 PolarHBondContact O-N 3.44Å; L104-S106 VanDerWaalsContact O-N 3.08Å
107L85.1Confident89.5Confident84 Ų8445.3 Ų45.344%0.4426%0.255SS..SBendtrans-75.7143.9179.9-64.4-178.1000111.8L104 N105 F110 V114L104-L107 HydrophobicContact CB-CD1 4.15Å; L104-L107 HydrophobicContact CD2-CD1 3.94Å; L104-L107 WeakPolarHBondContact O-CB 3.13Å; L104-L107 WeakPolarHBondContact O-CG 3.31Å; L104-L107 PolarHBondContact O-N 3.33Å; N105-L107 PolarHBondContact O-N 3.23Å; L107-F110 VanDerWaalsContact O-CB 3.24Å; L107-F110 WeakPolarHBondContact O-CB 3.44Å; L107-F110 PolarHBondContact O-N 3.01Å; L107-V114 HydrophobicContact CB-CG2 4.27Å; L107-V114 HydrophobicContact CD1-CG1 4.23Å; L107-V114 HydrophobicContact CD1-CG2 4.11Å
108S87.3Confident89.7Confident100 Ų10046.8 Ų46.870%0.69926%0.264SS*.THydrogen-bonded Turntrans-59.7143.6172.4-56.70000111.5F110S108-F110 PolarHBondContact O-N 3.47Å; S108-F110 VanDerWaalsContact O-N 3.15Å
109F89.6Confident90.1Very high140 Ų14044.8 Ų44.861%0.61425%0.252SS*.THydrogen-bonded Turntrans56.125.5-178-53.8-81.1000114.1Y111 L112 I113F109-Y111 PolarHBondContact O-N 3.41Å; F109-L112 HydrophobicContact CD1-CD1 4.37Å; F109-L112 PolarHBondContact O-N 3.05Å; F109-L112 VanDerWaalsContact O-N 3.09Å; F109-I113 HydrophobicContact CB-CD1 4.02Å; F109-I113 HydrophobicContact CB-CG1 4.25Å; F109-I113 PolarHBondContact O-N 3.01Å
110F90.3Very high90.5Very high6 Ų644 Ų443%0.02625%0.247CC..Iπ-helixtrans-50.5-55.1-175.5172-97.9000112.7A100 L101 L104 N105 L107 S108 L112 V114 L115A100-F110 VanDerWaalsContact C-CZ 3.49Å; A100-F110 HydrophobicContact CB-CE2 3.94Å; A100-F110 HydrophobicContact CB-CZ 4.01Å; A100-F110 VanDerWaalsContact O-CE2 3.29Å; A100-F110 WeakPolarHBondContact O-CE2 3.33Å; A100-F110 WeakPolarHBondContact O-CZ 3.26Å; L101-F110 HydrophobicContact CB-CZ 4.5Å; L101-F110 HydrophobicContact CD2-CE1 3.52Å; L101-F110 HydrophobicContact CD2-CZ 4.01Å; L101-F110 HydrophobicContact CG-CE1 4.09Å; L101-F110 HydrophobicContact CG-CZ 4.09Å; L104-F110 HydrophobicContact CB-CD2 4.18Å; L104-F110 HydrophobicContact CB-CE2 3.87Å; L104-F110 WeakPolarHBondContact O-CD2 3.26Å; N105-F110 HydrophobicContact CB-CD1 4.36Å; N105-F110 HydrophobicContact CB-CE1 4.33Å; N105-F110 HydrophobicContact CB-CZ 4.48Å; N105-F110 VanDerWaalsContact OD1-CD1 3.22Å; N105-F110 WeakPolarHBondContact OD1-CD1 3.19Å; L107-F110 VanDerWaalsContact O-CB 3.24Å; L107-F110 WeakPolarHBondContact O-CB 3.44Å; L107-F110 PolarHBondContact O-N 3.01Å; S108-F110 PolarHBondContact O-N 3.47Å; S108-F110 VanDerWaalsContact O-N 3.15Å; F110-L112 VanDerWaalsContact C-N 3.26Å; F110-L112 PolarHBondContact O-N 2.78Å; F110-V114 HydrophobicContact CD2-CB 3.71Å; F110-V114 HydrophobicContact CD2-CG1 3.78Å; F110-V114 HydrophobicContact CD2-CG2 4.48Å; F110-V114 HydrophobicContact CE2-CB 4.26Å; F110-V114 HydrophobicContact CE2-CG1 3.98Å; F110-V114 HydrophobicContact CG-CB 4.47Å; F110-V114 PolarHBondContact O-N 2.89Å; F110-V114 VanDerWaalsContact O-N 3.1Å; F110-L115 HydrophobicContact CD1-CB 4.38Å; F110-L115 HydrophobicContact CE1-CB 3.89Å; F110-L115 HydrophobicContact CE1-CD1 4.26Å; F110-L115 HydrophobicContact CE1-CD2 4.35Å; F110-L115 HydrophobicContact CE1-CG 4.39Å; F110-L115 HydrophobicContact CE2-CB 4.34Å; F110-L115 HydrophobicContact CZ-CB 3.87Å; F110-L115 HydrophobicContact CZ-CD1 3.93Å; F110-L115 HydrophobicContact CZ-CG 4.4Å; F110-L115 WeakPolarHBondContact O-CB 3.32Å; F110-L115 PolarHBondContact O-N 2.89Å
111Y88.2Confident90.7Very high33 Ų3346.1 Ų46.113%0.12927%0.265CS..Iπ-helixtrans-66.6-23.8-177.4-73.7-81.2000114.3L101 N105 F109 L115 S147L101-Y111 HydrophobicContact CD2-CE1 3.84Å; N105-Y111 WeakPolarHBondContact OD1-CE2 3.27Å; F109-Y111 PolarHBondContact O-N 3.41Å; Y111-L115 HydrophobicContact CD1-CD2 3.83Å; Y111-L115 HydrophobicContact CE1-CD2 4.33Å; Y111-S147 WeakPolarHBondContact O-CB 3.27Å
112L90.9Very high91.3Very high53 Ų5345.1 Ų45.128%0.27726%0.26SS..Iπ-helixtrans-93.9-29.4-176.2-65.3175000113.2F109 F110 P116 S147 P148 Y151F109-L112 HydrophobicContact CD1-CD1 4.37Å; F109-L112 PolarHBondContact O-N 3.05Å; F109-L112 VanDerWaalsContact O-N 3.09Å; F110-L112 VanDerWaalsContact C-N 3.26Å; F110-L112 PolarHBondContact O-N 2.78Å; L112-P116 VanDerWaalsContact O-CG 3.27Å; L112-P116 WeakPolarHBondContact O-CG 3.33Å; L112-S147 PolarHBondContact O-OG 3.2Å; L112-P148 HydrophobicContact CD2-CB 3.98Å; L112-P148 HydrophobicContact CD2-CG 3.97Å; L112-Y151 HydrophobicContact CD1-CD2 4.42Å; L112-Y151 HydrophobicContact CD1-CE2 4.13Å; L112-Y151 HydrophobicContact CD2-CD2 3.71Å; L112-Y151 HydrophobicContact CD2-CE2 4.22Å; L112-Y151 HydrophobicContact CG-CD2 3.8Å; L112-Y151 HydrophobicContact CG-CE2 3.8Å
113I93.6Very high92Very high88 Ų8843.6 Ų43.645%0.45125%0.252SS..Iπ-helixtrans-125.8-61.4-172.4-58.5179.2000110.6F109 L115 P116 L117F109-I113 HydrophobicContact CB-CD1 4.02Å; F109-I113 HydrophobicContact CB-CG1 4.25Å; F109-I113 PolarHBondContact O-N 3.01Å; I113-L115 PolarHBondContact O-N 3.22Å; I113-P116 VanDerWaalsContact O-CD 3.31Å; I113-P116 WeakPolarHBondContact O-CD 3.22Å; I113-P116 WeakPolarHBondContact O-CG 3.37Å; I113-L117 HydrophobicContact CG2-CD1 3.78Å; I113-L117 WeakPolarHBondContact O-CB 3.41Å; I113-L117 WeakPolarHBondContact O-CG 3.47Å; I113-L117 PolarHBondContact O-N 2.95Å; I113-L117 VanDerWaalsContact O-N 3.13Å
114V95Very high92.6Very high28 Ų2844.7 Ų44.717%0.1725%0.253CS..Iπ-helixtrans-63.2-51-170.9-177.60000111.3L104 L107 F110 L117 C118L104-V114 HydrophobicContact CB-CG1 4.17Å; L104-V114 HydrophobicContact CD1-CG1 3.97Å; L107-V114 HydrophobicContact CB-CG2 4.27Å; L107-V114 HydrophobicContact CD1-CG1 4.23Å; L107-V114 HydrophobicContact CD1-CG2 4.11Å; F110-V114 HydrophobicContact CD2-CB 3.71Å; F110-V114 HydrophobicContact CD2-CG1 3.78Å; F110-V114 HydrophobicContact CD2-CG2 4.48Å; F110-V114 HydrophobicContact CE2-CB 4.26Å; F110-V114 HydrophobicContact CE2-CG1 3.98Å; F110-V114 HydrophobicContact CG-CB 4.47Å; F110-V114 PolarHBondContact O-N 2.89Å; F110-V114 VanDerWaalsContact O-N 3.1Å; V114-L117 PolarHBondContact O-N 3.29Å; V114-C118 PolarHBondContact O-N 3.31Å; V114-C118 PolarHBondContact O-SG 3.29Å
115L94.7Very high93Very high1 Ų143.6 Ų43.61%0.00525%0.247CC..Hα-helixtrans-57.8-54.8-179.6178.667.1000113A100 L101 F110 Y111 I113 L117 C118 V119 S156 P157 I160A100-L115 HydrophobicContact CB-CD1 4.36Å; L101-L115 HydrophobicContact CG-CD1 4.31Å; F110-L115 HydrophobicContact CD1-CB 4.38Å; F110-L115 HydrophobicContact CE1-CB 3.89Å; F110-L115 HydrophobicContact CE1-CD1 4.26Å; F110-L115 HydrophobicContact CE1-CD2 4.35Å; F110-L115 HydrophobicContact CE1-CG 4.39Å; F110-L115 HydrophobicContact CE2-CB 4.34Å; F110-L115 HydrophobicContact CZ-CB 3.87Å; F110-L115 HydrophobicContact CZ-CD1 3.93Å; F110-L115 HydrophobicContact CZ-CG 4.4Å; F110-L115 WeakPolarHBondContact O-CB 3.32Å; F110-L115 PolarHBondContact O-N 2.89Å; Y111-L115 HydrophobicContact CD1-CD2 3.83Å; Y111-L115 HydrophobicContact CE1-CD2 4.33Å; I113-L115 PolarHBondContact O-N 3.22Å; L115-L117 VanDerWaalsContact C-N 3.27Å; L115-L117 PolarHBondContact O-N 3.02Å; L115-C118 PolarHBondContact O-N 3.08Å; L115-V119 HydrophobicContact CD1-CG2 4.21Å; L115-V119 WeakPolarHBondContact O-CG2 3.3Å; L115-V119 PolarHBondContact O-N 2.99Å; L115-S156 WeakPolarHBondContact CD2-OG 3.43Å; L115-P157 HydrophobicContact CD1-CG 4.28Å; L115-I160 HydrophobicContact CD2-CD1 4.11Å; L115-I160 HydrophobicContact CG-CD1 4.33Å
116P97.1Very high93.6Very high0 Ų041.4 Ų41.40%024%0.236CC..Hα-helixtrans-63-31.8179.221-31.3000113.2L112 I113 G120 C143 V144 I160L112-P116 VanDerWaalsContact O-CG 3.27Å; L112-P116 WeakPolarHBondContact O-CG 3.33Å; I113-P116 VanDerWaalsContact O-CD 3.31Å; I113-P116 WeakPolarHBondContact O-CD 3.22Å; I113-P116 WeakPolarHBondContact O-CG 3.37Å; P116-G120 PolarHBondContact O-N 2.88Å; P116-C143 HydrophobicContact CB-CB 3.62Å; P116-C143 WeakPolarHBondContact CB-O 3.34Å; P116-C143 WeakPolarHBondContact O-CB 3.41Å; P116-V144 HydrophobicContact CB-CG2 4.37Å; P116-V144 HydrophobicContact CG-CG2 4.34Å; P116-I160 HydrophobicContact CB-CD1 4.49Å; P116-I160 HydrophobicContact CB-CG2 4.24Å
117L97.1Very high94.2Very high76 Ų7635.9 Ų35.940%0.39820%0.197SC..Hα-helixtrans-66.4-43.5173.5-69.8176.9000111.9I113 V114 L115 G120 A121 L140I113-L117 HydrophobicContact CG2-CD1 3.78Å; I113-L117 WeakPolarHBondContact O-CB 3.41Å; I113-L117 WeakPolarHBondContact O-CG 3.47Å; I113-L117 PolarHBondContact O-N 2.95Å; I113-L117 VanDerWaalsContact O-N 3.13Å; V114-L117 PolarHBondContact O-N 3.29Å; L115-L117 VanDerWaalsContact C-N 3.27Å; L115-L117 PolarHBondContact O-N 3.02Å; L117-G120 PolarHBondContact O-N 3.07Å; L117-A121 WeakPolarHBondContact O-CB 3.45Å; L117-A121 PolarHBondContact O-N 2.96Å; L117-L140 HydrophobicContact CD2-CD1 4.24Å; L117-L140 HydrophobicContact CD2-CD2 4.02Å
118C96.9Very high94.6Very high30 Ų3032.3 Ų32.320%0.20318%0.179CC..Hα-helixtrans-62.5-48.4176-69.40000111.7F96 A100 V114 L115 G120 A121 G122F96-C118 WeakPolarHBondContact CB-O 3.45Å; F96-C118 WeakPolarHBondContact CD1-O 3.48Å; A100-C118 HydrophobicContact CB-CB 3.7Å; V114-C118 PolarHBondContact O-N 3.31Å; V114-C118 PolarHBondContact O-SG 3.29Å; L115-C118 PolarHBondContact O-N 3.08Å; C118-G120 VanDerWaalsContact C-N 3.35Å; C118-G120 PolarHBondContact O-N 2.93Å; C118-A121 WeakPolarHBondContact O-CB 3.27Å; C118-A121 PolarHBondContact O-N 2.73Å; C118-G122 PolarHBondContact O-N 2.96Å; C118-G122 VanDerWaalsContact O-N 3.09Å
119V97.7Very high94.8Very high0 Ų028.4 Ų28.40%015%0.151CC..Hα-helixtrans-59.2-47.2176.6174.30000110.7L115 A121 G122 V123 P157 I160L115-V119 HydrophobicContact CD1-CG2 4.21Å; L115-V119 WeakPolarHBondContact O-CG2 3.3Å; L115-V119 PolarHBondContact O-N 2.99Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.49Å; V119-G122 PolarHBondContact O-N 2.85Å; V119-V123 WeakPolarHBondContact O-CG2 3.46Å; V119-V123 PolarHBondContact O-N 3.32Å; V119-P157 HydrophobicContact CG2-CB 4.27Å; V119-I160 HydrophobicContact CB-CG2 3.83Å; V119-I160 HydrophobicContact CG1-CB 4.14Å; V119-I160 HydrophobicContact CG1-CG2 3.6Å; V119-I160 HydrophobicContact CG2-CG2 4.27Å
120G97.7Very high94.7Very high0 Ų022.1 Ų22.10%013%0.126CC..Hα-helixtrans-62-37.5178.100000113.3P116 L117 C118 V123 H124 C143P116-G120 PolarHBondContact O-N 2.88Å; L117-G120 PolarHBondContact O-N 3.07Å; C118-G120 VanDerWaalsContact C-N 3.35Å; C118-G120 PolarHBondContact O-N 2.93Å; G120-V123 PolarHBondContact O-N 2.89Å; G120-H124 VanDerWaalsContact O-CB 3.25Å; G120-H124 WeakPolarHBondContact O-CB 3.47Å; G120-H124 PolarHBondContact O-N 2.98Å; G120-C143 VanDerWaalsContact CA-SG 3.5Å
121A97.1Very high94.4Very high46 Ų4624.4 Ų24.438%0.3814%0.137SC..Hα-helixtrans-62.7-43.1173.900000111.8F96 L117 C118 V119 H124 L125F96-A121 HydrophobicContact CD1-CB 4.41Å; L117-A121 WeakPolarHBondContact O-CB 3.45Å; L117-A121 PolarHBondContact O-N 2.96Å; C118-A121 WeakPolarHBondContact O-CB 3.27Å; C118-A121 PolarHBondContact O-N 2.73Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.49Å; A121-H124 PolarHBondContact O-N 3.19Å; A121-L125 WeakPolarHBondContact O-CB 3.22Å; A121-L125 PolarHBondContact O-N 2.87Å
122G97.2Very high94.4Very high0 Ų024.7 Ų24.70%014%0.139CC..Hα-helixtrans-61.7-47.5175.100000112.6C118 V119 H124 L125 V126C118-G122 PolarHBondContact O-N 2.96Å; C118-G122 VanDerWaalsContact O-N 3.09Å; V119-G122 PolarHBondContact O-N 2.85Å; G122-H124 VanDerWaalsContact C-N 3.33Å; G122-H124 PolarHBondContact O-N 3.43Å; G122-L125 WeakPolarHBondContact O-CB 3.43Å; G122-L125 PolarHBondContact O-N 3.44Å; G122-V126 PolarHBondContact O-N 3.27Å
123V97.9Very high94.5Very high0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-60.2-43.8175.4171.30000111Q89 V119 G120 S127 T139 A164 A168Q89-V123 HydrophobicContact CB-CG1 4.2Å; Q89-V123 HydrophobicContact CG-CG1 4.31Å; Q89-V123 WeakPolarHBondContact O-CG2 3.32Å; V119-V123 WeakPolarHBondContact O-CG2 3.46Å; V119-V123 PolarHBondContact O-N 3.32Å; G120-V123 PolarHBondContact O-N 2.89Å; V123-S127 VanDerWaalsContact O-CB 3.29Å; V123-S127 WeakPolarHBondContact O-CB 3.27Å; V123-S127 PolarHBondContact O-N 3Å; V123-S127 PolarHBondContact O-OG 3.27Å; V123-T139 HydrophobicContact CG1-CG2 4.04Å; V123-A164 HydrophobicContact CB-CB 4.26Å; V123-A164 HydrophobicContact CG1-CB 4.08Å; V123-A164 HydrophobicContact CG2-CB 3.92Å; V123-A168 HydrophobicContact CG1-CB 4.01Å
124H97.2Very high94.5Very high39 Ų3918.9 Ų18.918%0.18111%0.11CC..Hα-helixtrans-68.1-35.5179.9-172.974.5000112.6G120 A121 G122 S127 S128 T134 L136G120-H124 VanDerWaalsContact O-CB 3.25Å; G120-H124 WeakPolarHBondContact O-CB 3.47Å; G120-H124 PolarHBondContact O-N 2.98Å; A121-H124 PolarHBondContact O-N 3.19Å; G122-H124 VanDerWaalsContact C-N 3.33Å; G122-H124 PolarHBondContact O-N 3.43Å; H124-S127 CarbonylContact O-C 3.45Å; H124-S127 WeakPolarHBondContact O-CA 3.34Å; H124-S127 WeakPolarHBondContact O-CB 3.21Å; H124-S127 PolarHBondContact O-N 2.94Å; H124-S128 PolarHBondContact NE2-OG 2.95Å; H124-S128 WeakPolarHBondContact O-CB 3.21Å; H124-S128 PolarHBondContact O-N 3.05Å; H124-S128 PolarHBondContact O-OG 3.33Å; H124-S128 VanDerWaalsContact O-OG 3.1Å; H124-T134 WeakPolarHBondContact ND1-CG2 3.33Å; H124-L136 HydrophobicContact CB-CD1 3.82Å
125L96.5Very high94.4Very high17 Ų1719.4 Ų19.49%0.08911%0.112CC..Hα-helixtrans-59.9-50.6176.2-179.859.3000110.9S29 L32 L33 L36 F96 A121 G122 S127 S128 V129S29-L125 WeakPolarHBondContact O-CD1 3.07Å; L32-L125 HydrophobicContact CB-CD1 4.26Å; L32-L125 HydrophobicContact CD2-CD1 3.87Å; L32-L125 HydrophobicContact CD2-CD2 4.49Å; L32-L125 HydrophobicContact CG-CD1 4.25Å; L32-L125 HydrophobicContact CG-CD2 4.38Å; L33-L125 HydrophobicContact CB-CD2 4.12Å; L33-L125 HydrophobicContact CB-CG 4.13Å; L33-L125 HydrophobicContact CD1-CD2 4.08Å; L33-L125 HydrophobicContact CD1-CG 4.38Å; L36-L125 HydrophobicContact CD1-CD2 4.07Å; F96-L125 HydrophobicContact CE2-CD2 4.49Å; F96-L125 HydrophobicContact CZ-CD2 3.83Å; A121-L125 WeakPolarHBondContact O-CB 3.22Å; A121-L125 PolarHBondContact O-N 2.87Å; G122-L125 WeakPolarHBondContact O-CB 3.43Å; G122-L125 PolarHBondContact O-N 3.44Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 2.97Å; L125-S128 CarbonylContact O-C 3.39Å; L125-S128 PolarHBondContact O-N 3.42Å; L125-S128 VanDerWaalsContact O-N 3.07Å; L125-V129 PolarHBondContact O-N 3.47Å
126V96.3Very high94.4Very high10 Ų1022.7 Ų22.76%0.06113%0.129CC..Hα-helixtrans-62.3-41.2174-178.90000111L33 R85 Q89 V92 G122 S128 V129L33-V126 HydrophobicContact CD1-CG2 4.17Å; L33-V126 HydrophobicContact CD2-CG2 4.08Å; R85-V126 HydrophobicContact CG-CG1 4.23Å; R85-V126 PolarHBondContact NH2-O 3.08Å; Q89-V126 HydrophobicContact CG-CB 3.95Å; Q89-V126 HydrophobicContact CG-CG1 3.82Å; V92-V126 HydrophobicContact CB-CG2 3.51Å; V92-V126 HydrophobicContact CG1-CG2 3.81Å; V92-V126 HydrophobicContact CG2-CG2 3.51Å; G122-V126 PolarHBondContact O-N 3.27Å; V126-S128 PolarHBondContact O-N 3.16Å; V126-S128 VanDerWaalsContact O-N 3.13Å; V126-V129 WeakPolarHBondContact O-CB 3.38Å; V126-V129 PolarHBondContact O-N 2.98Å; V126-V129 VanDerWaalsContact O-N 3.12Å
127S94.9Very high94.4Very high2 Ų229 Ų291%0.01416%0.158CC..Hα-helixtrans-62.3-18.4177-58.10000113.1R85 Q89 V123 H124 L125 Q132 T133R85-S127 PolarHBondContact NH2-O 3.27Å; Q89-S127 PolarHBondContact NE2-OG 3.11Å; V123-S127 VanDerWaalsContact O-CB 3.29Å; V123-S127 WeakPolarHBondContact O-CB 3.27Å; V123-S127 PolarHBondContact O-N 3Å; V123-S127 PolarHBondContact O-OG 3.27Å; H124-S127 CarbonylContact O-C 3.45Å; H124-S127 WeakPolarHBondContact O-CA 3.34Å; H124-S127 WeakPolarHBondContact O-CB 3.21Å; H124-S127 PolarHBondContact O-N 2.94Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 2.97Å; S127-Q132 CarbonylContact O-C 3.44Å; S127-T133 WeakPolarHBondContact O-CA 3.29Å
128S93.3Very high94.3Very high9 Ų929.6 Ų29.66%0.06316%0.157CC..THydrogen-bonded Turntrans-103.910179.4-66.80000113.4S29 H124 L125 V126 Q132 T133 K175S29-S128 WeakPolarHBondContact CB-O 3.31Å; S29-S128 PolarHBondContact OG-O 3.37Å; H124-S128 PolarHBondContact NE2-OG 2.95Å; H124-S128 WeakPolarHBondContact O-CB 3.21Å; H124-S128 PolarHBondContact O-N 3.05Å; H124-S128 PolarHBondContact O-OG 3.33Å; H124-S128 VanDerWaalsContact O-OG 3.1Å; L125-S128 CarbonylContact O-C 3.39Å; L125-S128 PolarHBondContact O-N 3.42Å; L125-S128 VanDerWaalsContact O-N 3.07Å; V126-S128 PolarHBondContact O-N 3.16Å; V126-S128 VanDerWaalsContact O-N 3.13Å; S128-Q132 CarbonylContact C-O 3.6Å; S128-Q132 VanDerWaalsContact CA-O 3.29Å; S128-Q132 WeakPolarHBondContact CA-O 3.41Å; S128-T133 PolarHBondContact OG-OG1 2.94Å; S128-K175 WeakPolarHBondContact O-CE 3.46Å; S128-K175 PolarHBondContact O-NZ 2.98Å
129V91.4Very high94.3Very high19 Ų1928.1 Ų28.112%0.11515%0.148CC..SBendtrans-76.5128.6174.8172.20000111.2H30 L33 R85 L125 V126H30-V129 HydrophobicContact CB-CG1 4.26Å; H30-V129 WeakPolarHBondContact CD2-CG1 3.13Å; L33-V129 HydrophobicContact CD2-CG2 3.63Å; R85-V129 PolarHBondContact NH1-O 2.94Å; R85-V129 PolarHBondContact NH2-O 2.93Å; L125-V129 PolarHBondContact O-N 3.47Å; V126-V129 WeakPolarHBondContact O-CB 3.38Å; V126-V129 PolarHBondContact O-N 2.98Å; V126-V129 VanDerWaalsContact O-N 3.12Å
130G86.7Confident94.3Very high8 Ų830.1 Ų30.18%0.08216%0.158CC..THydrogen-bonded Turntrans75-146.3-176.800000112.5Q132 K175G130-Q132 VanDerWaalsContact C-N 3.3Å; G130-Q132 PolarHBondContact O-N 3.01Å; G130-K175 WeakPolarHBondContact O-CD 3.49Å; G130-K175 WeakPolarHBondContact O-CE 3.24Å; G130-K175 PolarHBondContact O-NZ 3.25Å
131E84.5Confident94.2Very high54 Ų5433.7 Ų33.725%0.25218%0.176SC..THydrogen-bonded Turntrans-82.3-2.5-173.7-63.7-47.8100.900115.1E62 F174 K175 H177E62-E131 VanDerWaalsContact OE1-CD 3.29Å; E131-F174 WeakPolarHBondContact O-CA 3.49Å; E131-K175 PolarHBondContact O-N 3.25Å; E131-H177 IonicContact OE2-CD2 3.93Å; E131-H177 IonicContact OE2-CE1 3.67Å; E131-H177 PolarHBondContact OE2-CE1 3.13Å; E131-H177 IonicContact OE2-NE2 3.11Å; E131-H177 PolarHBondContact OE2-NE2 3.12Å
132Q89.2Confident94.2Very high38 Ų3832.1 Ų32.118%0.17816%0.164CC..EExtended strand (participates in β ladder)trans-106.4148.2-176.9-57.817922.800110.3P79 R85 S127 S128 G130P79-Q132 HydrophobicContact CB-CG 3.76Å; P79-Q132 HydrophobicContact CG-CB 4.47Å; P79-Q132 HydrophobicContact CG-CG 3.94Å; R85-Q132 PolarHBondContact NH2-O 3.29Å; S127-Q132 CarbonylContact O-C 3.44Å; S128-Q132 CarbonylContact C-O 3.6Å; S128-Q132 VanDerWaalsContact CA-O 3.29Å; S128-Q132 WeakPolarHBondContact CA-O 3.41Å; G130-Q132 VanDerWaalsContact C-N 3.3Å; G130-Q132 PolarHBondContact O-N 3.01Å
133T92.3Very high94.2Very high18 Ų1832.1 Ų32.111%0.1116%0.164CC..EExtended strand (participates in β ladder)trans-140.8179.4168.3-169.40000109.4S127 S128 R173 K175S127-T133 WeakPolarHBondContact O-CA 3.29Å; S128-T133 PolarHBondContact OG-OG1 2.94Å; T133-R173 HydrophobicContact CG2-CG 3.62Å; T133-R173 PolarHBondContact N-O 3.28Å; T133-R173 PolarHBondContact O-N 3.01Å; T133-K175 HydrophobicContact CG2-CG 4.01Å
134T93.3Very high94.2Very high1 Ų135 Ų351%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-129.4170.5175.3-1670000110.1H124 L136 A168 H171 R173H124-T134 WeakPolarHBondContact ND1-CG2 3.33Å; T134-L136 PolarHBondContact O-N 2.85Å; T134-A168 HydrophobicContact CG2-CB 3.99Å; T134-A168 VanDerWaalsContact OG1-CA 3.28Å; T134-A168 WeakPolarHBondContact OG1-CA 3.41Å; T134-A168 PolarHBondContact OG1-O 3.3Å; T134-H171 PolarHBondContact OG1-O 3.44Å; T134-R173 PolarHBondContact O-NE 2.9Å; T134-R173 PolarHBondContact O-NH2 2.9Å
135D94.1Very high94.1Very high40 Ų4038.8 Ų38.821%0.21420%0.201CC..  trans-71.7105.9168.1-169.3-43.7000109.4H137 K138 T139 H171D135-H137 VanDerWaalsContact C-N 3.32Å; D135-H137 PolarHBondContact O-N 3.37Å; D135-H137 WeakPolarHBondContact OD1-CB 3.49Å; D135-H137 PolarHBondContact OD1-N 2.95Å; D135-K138 HydrophobicContact CB-CB 4.2Å; D135-K138 HydrophobicContact CB-CD 4.1Å; D135-K138 HydrophobicContact CB-CG 4.23Å; D135-K138 PolarHBondContact OD1-N 3.22Å; D135-T139 WeakPolarHBondContact O-CB 3.36Å; D135-T139 PolarHBondContact O-N 2.96Å; D135-T139 VanDerWaalsContact O-N 3.14Å; D135-T139 PolarHBondContact O-OG1 3.43Å; D135-H171 HydrophobicContact CB-CB 4.02Å; D135-H171 PolarHBondContact N-O 2.92Å
136L94.3Very high94Very high69 Ų6939 Ų3936%0.36120%0.203SC..Hα-helixtrans-60.9-43.2-179.5176.462.3000111.2H124 T134 K138 T139 L140H124-L136 HydrophobicContact CB-CD1 3.82Å; T134-L136 PolarHBondContact O-N 2.85Å; L136-K138 PolarHBondContact O-N 3.4Å; L136-T139 PolarHBondContact O-N 3.44Å; L136-L140 HydrophobicContact CD1-CD1 3.88Å; L136-L140 HydrophobicContact CD1-CD2 4.25Å; L136-L140 HydrophobicContact CD1-CG 3.82Å; L136-L140 HydrophobicContact CD2-CD1 4.48Å; L136-L140 HydrophobicContact CG-CD1 3.89Å; L136-L140 HydrophobicContact CG-CG 4.21Å; L136-L140 WeakPolarHBondContact O-CG 3.33Å; L136-L140 PolarHBondContact O-N 2.91Å
137H95.9Very high93.8Very high132 Ų13238.6 Ų38.661%0.61120%0.201SC*.Hα-helixtrans-62.7-47.3-174.8-177.3-102.2000111D135 T139 L140 I141D135-H137 VanDerWaalsContact C-N 3.32Å; D135-H137 PolarHBondContact O-N 3.37Å; D135-H137 WeakPolarHBondContact OD1-CB 3.49Å; D135-H137 PolarHBondContact OD1-N 2.95Å; H137-T139 VanDerWaalsContact C-N 3.33Å; H137-T139 PolarHBondContact O-N 3.46Å; H137-L140 PolarHBondContact O-N 3.23Å; H137-I141 WeakPolarHBondContact CE1-CD1 3.05Å; H137-I141 WeakPolarHBondContact ND1-CD1 3.33Å; H137-I141 WeakPolarHBondContact O-CG1 3.33Å; H137-I141 PolarHBondContact O-N 3.36Å
138K96Very high93.7Very high89 Ų8941.9 Ų41.939%0.38722%0.222SC..Hα-helixtrans-63.9-39176.5-64.8-178.4-178.3-176.50112.5D135 L136 I141 A142 T167 H171D135-K138 HydrophobicContact CB-CB 4.2Å; D135-K138 HydrophobicContact CB-CD 4.1Å; D135-K138 HydrophobicContact CB-CG 4.23Å; D135-K138 PolarHBondContact OD1-N 3.22Å; L136-K138 PolarHBondContact O-N 3.4Å; K138-I141 PolarHBondContact O-N 3.03Å; K138-A142 PolarHBondContact O-N 3.16Å; K138-A142 VanDerWaalsContact O-N 3.09Å; K138-T167 HydrophobicContact CB-CG2 4.13Å; K138-H171 HydrophobicContact CD-CB 4.46Å; K138-H171 WeakPolarHBondContact CD-CD2 3.49Å; K138-H171 WeakPolarHBondContact CD-NE2 3.43Å; K138-H171 PolarHBondContact NZ-CD2 3.27Å; K138-H171 PolarHBondContact NZ-NE2 3.43Å
139T96.7Very high93.5Very high0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-64.2-43.2177.8-54.50000111.3V123 D135 L136 H137 A142 C143 A164 A168V123-T139 HydrophobicContact CG1-CG2 4.04Å; D135-T139 WeakPolarHBondContact O-CB 3.36Å; D135-T139 PolarHBondContact O-N 2.96Å; D135-T139 VanDerWaalsContact O-N 3.14Å; D135-T139 PolarHBondContact O-OG1 3.43Å; L136-T139 PolarHBondContact O-N 3.44Å; H137-T139 VanDerWaalsContact C-N 3.33Å; H137-T139 PolarHBondContact O-N 3.46Å; T139-A142 PolarHBondContact O-N 3.24Å; T139-C143 PolarHBondContact O-N 2.62Å; T139-C143 PolarHBondContact O-SG 3.46Å; T139-A164 HydrophobicContact CG2-CB 4.07Å; T139-A168 HydrophobicContact CG2-CB 4.31Å
140L97Very high93.2Very high41 Ų4149.9 Ų49.922%0.21526%0.259CS..Hα-helixtrans-68.3-39.9177.6-68.3179.5000112.3L117 L136 H137 A142 C143 V144L117-L140 HydrophobicContact CD2-CD1 4.24Å; L117-L140 HydrophobicContact CD2-CD2 4.02Å; L136-L140 HydrophobicContact CD1-CD1 3.88Å; L136-L140 HydrophobicContact CD1-CD2 4.25Å; L136-L140 HydrophobicContact CD1-CG 3.82Å; L136-L140 HydrophobicContact CD2-CD1 4.48Å; L136-L140 HydrophobicContact CG-CD1 3.89Å; L136-L140 HydrophobicContact CG-CG 4.21Å; L136-L140 WeakPolarHBondContact O-CG 3.33Å; L136-L140 PolarHBondContact O-N 2.91Å; H137-L140 PolarHBondContact O-N 3.23Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 2.81Å; L140-C143 WeakPolarHBondContact O-CB 3.33Å; L140-C143 PolarHBondContact O-N 3.22Å; L140-C143 VanDerWaalsContact O-N 3.1Å; L140-V144 WeakPolarHBondContact O-CG2 3.22Å; L140-V144 PolarHBondContact O-N 2.94Å
141I97.3Very high93.2Very high75 Ų7556.4 Ų56.439%0.38528%0.282SS..Hα-helixtrans-56.8-46.3173.5-74170.3000110.6H137 K138 C143 V144 I145H137-I141 WeakPolarHBondContact CE1-CD1 3.05Å; H137-I141 WeakPolarHBondContact ND1-CD1 3.33Å; H137-I141 WeakPolarHBondContact O-CG1 3.33Å; H137-I141 PolarHBondContact O-N 3.36Å; K138-I141 PolarHBondContact O-N 3.03Å; I141-C143 VanDerWaalsContact C-N 3.27Å; I141-C143 PolarHBondContact O-N 3.33Å; I141-V144 PolarHBondContact O-N 3.16Å; I141-I145 HydrophobicContact CG2-CD1 3.47Å; I141-I145 VanDerWaalsContact CG2-CD1 3.47Å; I141-I145 HydrophobicContact CG2-CG1 4.15Å; I141-I145 WeakPolarHBondContact O-CB 3.16Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.13Å; I141-I145 PolarHBondContact O-N 2.84Å
142A97Very high92.7Very high14 Ų1455.9 Ų55.912%0.11629%0.291CS..Hα-helixtrans-59.2-39.7177.200000112K138 T139 L140 T146 T167K138-A142 PolarHBondContact O-N 3.16Å; K138-A142 VanDerWaalsContact O-N 3.09Å; T139-A142 PolarHBondContact O-N 3.24Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 2.81Å; A142-T146 WeakPolarHBondContact O-CB 3.32Å; A142-T146 PolarHBondContact O-N 2.83Å; A142-T146 VanDerWaalsContact O-N 3.1Å; A142-T146 PolarHBondContact O-OG1 3.29Å; A142-T167 HydrophobicContact CB-CG2 4.17Å; A142-T167 VanDerWaalsContact CB-OG1 3.3Å; A142-T167 WeakPolarHBondContact CB-OG1 3.36Å
143C96.9Very high92.1Very high0 Ų055.9 Ų55.90%030%0.295CS..Hα-helixtrans-62.7-50.5176.3-58.90000111.5P116 G120 T139 L140 I141 I145 T146 S147 I160 A164P116-C143 HydrophobicContact CB-CB 3.62Å; P116-C143 WeakPolarHBondContact CB-O 3.34Å; P116-C143 WeakPolarHBondContact O-CB 3.41Å; G120-C143 VanDerWaalsContact CA-SG 3.5Å; T139-C143 PolarHBondContact O-N 2.62Å; T139-C143 PolarHBondContact O-SG 3.46Å; L140-C143 WeakPolarHBondContact O-CB 3.33Å; L140-C143 PolarHBondContact O-N 3.22Å; L140-C143 VanDerWaalsContact O-N 3.1Å; I141-C143 VanDerWaalsContact C-N 3.27Å; I141-C143 PolarHBondContact O-N 3.33Å; C143-I145 PolarHBondContact O-N 3.48Å; C143-T146 PolarHBondContact O-N 3.09Å; C143-S147 PolarHBondContact O-N 3.3Å; C143-I160 HydrophobicContact CB-CG2 3.73Å; C143-A164 WeakPolarHBondContact SG-CB 3.44Å
144V96.5Very high91.3Very high61 Ų6159.5 Ų59.537%0.3732%0.317SS..Hα-helixtrans-64.6-41-177.3173.70000111.1P116 L140 I141 T146 S147 P148P116-V144 HydrophobicContact CB-CG2 4.37Å; P116-V144 HydrophobicContact CG-CG2 4.34Å; L140-V144 WeakPolarHBondContact O-CG2 3.22Å; L140-V144 PolarHBondContact O-N 2.94Å; I141-V144 PolarHBondContact O-N 3.16Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 3.15Å; V144-S147 PolarHBondContact O-N 3.42Å; V144-S147 PolarHBondContact O-OG 3.44Å; V144-P148 VanDerWaalsContact O-CD 3.28Å; V144-P148 WeakPolarHBondContact O-CD 3.32Å
145I96.5Very high90.8Very high117 Ų11764.2 Ų64.260%0.634%0.342SS*.Hα-helixtrans-64.7-36.8176.6-70.1174.3000111.8I141 C143 P148I141-I145 HydrophobicContact CG2-CD1 3.47Å; I141-I145 VanDerWaalsContact CG2-CD1 3.47Å; I141-I145 HydrophobicContact CG2-CG1 4.15Å; I141-I145 WeakPolarHBondContact O-CB 3.16Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.13Å; I141-I145 PolarHBondContact O-N 2.84Å; C143-I145 PolarHBondContact O-N 3.48Å; I145-P148 VanDerWaalsContact O-CD 3.23Å; I145-P148 WeakPolarHBondContact O-CD 3.13Å
146T93.4Very high90.4Very high21 Ų2162.3 Ų62.313%0.12933%0.332CS..Hα-helixtrans-77-28.2-178.1-52.90000112.1A142 C143 V144 P148 I149 P159 I160 A163A142-T146 WeakPolarHBondContact O-CB 3.32Å; A142-T146 PolarHBondContact O-N 2.83Å; A142-T146 VanDerWaalsContact O-N 3.1Å; A142-T146 PolarHBondContact O-OG1 3.29Å; C143-T146 PolarHBondContact O-N 3.09Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 3.15Å; T146-P148 VanDerWaalsContact C-CD 3.47Å; T146-I149 WeakPolarHBondContact O-CB 3.19Å; T146-I149 PolarHBondContact O-N 3.24Å; T146-P159 HydrophobicContact CG2-CB 4.34Å; T146-I160 HydrophobicContact CG2-CG1 4.24Å; T146-A163 HydrophobicContact CG2-CB 4.15Å; T146-A163 VanDerWaalsContact OG1-CB 3.29Å; T146-A163 WeakPolarHBondContact OG1-CB 3.43Å
147S92.4Very high90.3Very high2 Ų259.2 Ų59.21%0.01432%0.315CS..G310 helixtrans-57.9-41-173.275.20000116.5Y111 L112 C143 V144 I149 F150 Y151Y111-S147 WeakPolarHBondContact O-CB 3.27Å; L112-S147 PolarHBondContact O-OG 3.2Å; C143-S147 PolarHBondContact O-N 3.3Å; V144-S147 PolarHBondContact O-N 3.42Å; V144-S147 PolarHBondContact O-OG 3.44Å; S147-I149 VanDerWaalsContact C-N 3.25Å; S147-I149 PolarHBondContact O-N 2.87Å; S147-F150 PolarHBondContact O-N 2.97Å; S147-Y151 PolarHBondContact O-N 2.88Å
148P92.4Very high90.1Very high71 Ų7156.9 Ų56.946%0.46131%0.307SS..G310 helixtrans-70.3-24.6-175.1-17.133.8000112.4L112 V144 I145 T146 F150 Y151L112-P148 HydrophobicContact CD2-CB 3.98Å; L112-P148 HydrophobicContact CD2-CG 3.97Å; V144-P148 VanDerWaalsContact O-CD 3.28Å; V144-P148 WeakPolarHBondContact O-CD 3.32Å; I145-P148 VanDerWaalsContact O-CD 3.23Å; I145-P148 WeakPolarHBondContact O-CD 3.13Å; T146-P148 VanDerWaalsContact C-CD 3.47Å; P148-F150 PolarHBondContact O-N 3.08Å; P148-Y151 PolarHBondContact O-N 3.36Å
149I90.3Very high90Very high123 Ų12353.9 Ų53.963%0.63130%0.297SS*.G310 helixtrans-62-31.7179.6-56.2174.1000110.8T146 S147T146-I149 WeakPolarHBondContact O-CB 3.19Å; T146-I149 PolarHBondContact O-N 3.24Å; S147-I149 VanDerWaalsContact C-N 3.25Å; S147-I149 PolarHBondContact O-N 2.87Å
150F84.3Confident89.9Confident73 Ų7353.9 Ų53.932%0.3230%0.297SS..G310 helixtrans-119.229.7-176.6-60.4-85.2000112S147 P148 G152 S153 P159S147-F150 PolarHBondContact O-N 2.97Å; P148-F150 PolarHBondContact O-N 3.08Å; F150-G152 PolarHBondContact O-N 3.02Å; F150-S153 WeakPolarHBondContact O-CB 3.09Å; F150-S153 PolarHBondContact O-N 2.81Å; F150-S153 VanDerWaalsContact O-N 3.16Å; F150-P159 HydrophobicContact CB-CG 4.39Å; F150-P159 HydrophobicContact CD1-CG 4.09Å; F150-P159 HydrophobicContact CD2-CB 3.8Å; F150-P159 HydrophobicContact CD2-CG 3.39Å; F150-P159 HydrophobicContact CE1-CG 4.2Å; F150-P159 HydrophobicContact CE2-CB 3.44Å; F150-P159 VanDerWaalsContact CE2-CB 3.44Å; F150-P159 HydrophobicContact CE2-CG 3.53Å; F150-P159 HydrophobicContact CG-CG 3.69Å; F150-P159 HydrophobicContact CZ-CB 3.88Å; F150-P159 HydrophobicContact CZ-CG 3.94Å
151Y87.3Confident89.9Confident146 Ų14651.9 Ų51.957%0.57329%0.286SS*.THydrogen-bonded Turntrans-54134.1-178.2-177.8-91.5000112L112 S147 P148 S153L112-Y151 HydrophobicContact CD1-CD2 4.42Å; L112-Y151 HydrophobicContact CD1-CE2 4.13Å; L112-Y151 HydrophobicContact CD2-CD2 3.71Å; L112-Y151 HydrophobicContact CD2-CE2 4.22Å; L112-Y151 HydrophobicContact CG-CD2 3.8Å; L112-Y151 HydrophobicContact CG-CE2 3.8Å; S147-Y151 PolarHBondContact O-N 2.88Å; P148-Y151 PolarHBondContact O-N 3.36Å; Y151-S153 PolarHBondContact O-N 3.39Å; Y151-S153 VanDerWaalsContact O-N 3.15Å
152G73.5Confident89.9Confident42 Ų4251.8 Ų51.843%0.43329%0.286SS..THydrogen-bonded Turntrans73.5-417800000115.3F150F150-G152 PolarHBondContact O-N 3.02Å
153S77.3Confident89.9Confident38 Ų3852.4 Ų52.427%0.26629%0.291SS..  trans-87.5138.9-179.5-169.30000112.2F150 Y151 I155 S156F150-S153 WeakPolarHBondContact O-CB 3.09Å; F150-S153 PolarHBondContact O-N 2.81Å; F150-S153 VanDerWaalsContact O-N 3.16Å; Y151-S153 PolarHBondContact O-N 3.39Å; Y151-S153 VanDerWaalsContact O-N 3.15Å; S153-I155 PolarHBondContact O-N 3.18Å; S153-I155 WeakPolarHBondContact OG-CG1 3.49Å; S153-I155 PolarHBondContact OG-N 3.31Å; S153-S156 WeakPolarHBondContact O-CB 3.12Å; S153-S156 PolarHBondContact O-N 3.37Å; S153-S156 PolarHBondContact O-OG 3.48Å
154T75.9Confident90Very high94 Ų9452.4 Ų52.458%0.57729%0.291SS*.THydrogen-bonded Turntrans-67.8-20.9173.654.20000113S156 P157T154-S156 VanDerWaalsContact C-N 3.28Å; T154-P157 VanDerWaalsContact O-CD 3.31Å; T154-P157 WeakPolarHBondContact O-CD 3.42Å
155I81.7Confident90Very high100 Ų10049.5 Ų49.551%0.51327%0.273SS..THydrogen-bonded Turntrans-82.6-6.3177.278.6-165.1000112.8S153 P157 L158 P159S153-I155 PolarHBondContact O-N 3.18Å; S153-I155 WeakPolarHBondContact OG-CG1 3.49Å; S153-I155 PolarHBondContact OG-N 3.31Å; I155-P157 VanDerWaalsContact C-N 3.3Å; I155-P157 WeakPolarHBondContact O-CD 3.41Å; I155-P157 VanDerWaalsContact O-N 3.15Å; I155-L158 WeakPolarHBondContact O-CB 3.25Å; I155-L158 PolarHBondContact O-N 3.43Å; I155-L158 VanDerWaalsContact O-N 3.09Å; I155-P159 WeakPolarHBondContact O-CD 3.36Å
156S86.3Confident90.1Very high1 Ų146.6 Ų46.61%0.00726%0.261CS..THydrogen-bonded Turntrans-52.2-31.3-176.153.60000115.9L115 S153 T154 L158 P159 I160L115-S156 WeakPolarHBondContact CD2-OG 3.43Å; S153-S156 WeakPolarHBondContact O-CB 3.12Å; S153-S156 PolarHBondContact O-N 3.37Å; S153-S156 PolarHBondContact O-OG 3.48Å; T154-S156 VanDerWaalsContact C-N 3.28Å; S156-L158 VanDerWaalsContact C-N 3.28Å; S156-L158 PolarHBondContact O-N 3.43Å; S156-P159 VanDerWaalsContact O-CD 3.3Å; S156-P159 WeakPolarHBondContact O-CD 3.22Å; S156-P159 WeakPolarHBondContact O-CG 3.35Å; S156-I160 VanDerWaalsContact O-CD1 3.28Å; S156-I160 WeakPolarHBondContact O-CD1 3.17Å; S156-I160 WeakPolarHBondContact O-CG1 3.43Å; S156-I160 PolarHBondContact O-N 2.9Å
157P92.6Very high90.2Very high3 Ų346.7 Ų46.72%0.01926%0.262CS..Hα-helixtrans-58.8-35.3175.5-25.534.9000114.3L101 L115 V119 T154 I155 S161L101-P157 HydrophobicContact CD1-CG 3.65Å; L115-P157 HydrophobicContact CD1-CG 4.28Å; V119-P157 HydrophobicContact CG2-CB 4.27Å; T154-P157 VanDerWaalsContact O-CD 3.31Å; T154-P157 WeakPolarHBondContact O-CD 3.42Å; I155-P157 VanDerWaalsContact C-N 3.3Å; I155-P157 WeakPolarHBondContact O-CD 3.41Å; I155-P157 VanDerWaalsContact O-N 3.15Å; P157-S161 WeakPolarHBondContact O-CB 3.22Å; P157-S161 PolarHBondContact O-N 3.36Å
158L91Very high90.4Very high84 Ų8446.6 Ų46.644%0.4426%0.261SS..Hα-helixtrans-63.2-59.4-175.9175.166.7000113.2I94 I155 S156 I160 S161 I162I94-L158 HydrophobicContact CD1-CD1 3.52Å; I94-L158 HydrophobicContact CG1-CB 4.49Å; I94-L158 HydrophobicContact CG1-CD1 4.26Å; I155-L158 WeakPolarHBondContact O-CB 3.25Å; I155-L158 PolarHBondContact O-N 3.43Å; I155-L158 VanDerWaalsContact O-N 3.09Å; S156-L158 VanDerWaalsContact C-N 3.28Å; S156-L158 PolarHBondContact O-N 3.43Å; L158-I160 VanDerWaalsContact C-N 3.33Å; L158-I160 PolarHBondContact O-N 3.12Å; L158-S161 PolarHBondContact O-N 2.95Å; L158-I162 HydrophobicContact CD1-CD1 3.86Å; L158-I162 HydrophobicContact CD1-CG1 4.34Å; L158-I162 HydrophobicContact CG-CD1 4.06Å; L158-I162 WeakPolarHBondContact O-CG1 3.31Å; L158-I162 PolarHBondContact O-N 3.48Å
159P92.9Very high90.5Very high25 Ų2544.2 Ų44.216%0.16225%0.246CC..Hα-helixtrans-63.8-37.9-179.624.2-33.1000112.2T146 F150 I155 S156 S161 I162 A163T146-P159 HydrophobicContact CG2-CB 4.34Å; F150-P159 HydrophobicContact CB-CG 4.39Å; F150-P159 HydrophobicContact CD1-CG 4.09Å; F150-P159 HydrophobicContact CD2-CB 3.8Å; F150-P159 HydrophobicContact CD2-CG 3.39Å; F150-P159 HydrophobicContact CE1-CG 4.2Å; F150-P159 HydrophobicContact CE2-CB 3.44Å; F150-P159 VanDerWaalsContact CE2-CB 3.44Å; F150-P159 HydrophobicContact CE2-CG 3.53Å; F150-P159 HydrophobicContact CG-CG 3.69Å; F150-P159 HydrophobicContact CZ-CB 3.88Å; F150-P159 HydrophobicContact CZ-CG 3.94Å; I155-P159 WeakPolarHBondContact O-CD 3.36Å; S156-P159 VanDerWaalsContact O-CD 3.3Å; S156-P159 WeakPolarHBondContact O-CD 3.22Å; S156-P159 WeakPolarHBondContact O-CG 3.35Å; P159-S161 VanDerWaalsContact C-N 3.33Å; P159-S161 PolarHBondContact O-N 2.96Å; P159-I162 PolarHBondContact O-N 3.36Å; P159-A163 WeakPolarHBondContact O-CB 3.38Å; P159-A163 PolarHBondContact O-N 2.91Å
160I96.1Very high90.7Very high0 Ų044.9 Ų44.90%025%0.246CC..Hα-helixtrans-60-46.6175.1-62.6171.7000109.7L115 P116 V119 C143 T146 S156 L158 I162 A163 A164L115-I160 HydrophobicContact CD2-CD1 4.11Å; L115-I160 HydrophobicContact CG-CD1 4.33Å; P116-I160 HydrophobicContact CB-CD1 4.49Å; P116-I160 HydrophobicContact CB-CG2 4.24Å; V119-I160 HydrophobicContact CB-CG2 3.83Å; V119-I160 HydrophobicContact CG1-CB 4.14Å; V119-I160 HydrophobicContact CG1-CG2 3.6Å; V119-I160 HydrophobicContact CG2-CG2 4.27Å; C143-I160 HydrophobicContact CB-CG2 3.73Å; T146-I160 HydrophobicContact CG2-CG1 4.24Å; S156-I160 VanDerWaalsContact O-CD1 3.28Å; S156-I160 WeakPolarHBondContact O-CD1 3.17Å; S156-I160 WeakPolarHBondContact O-CG1 3.43Å; S156-I160 PolarHBondContact O-N 2.9Å; L158-I160 VanDerWaalsContact C-N 3.33Å; L158-I160 PolarHBondContact O-N 3.12Å; I160-I162 PolarHBondContact O-N 2.93Å; I160-A163 PolarHBondContact O-N 3.32Å; I160-A164 VanDerWaalsContact O-CB 3.23Å; I160-A164 WeakPolarHBondContact O-CB 3.36Å; I160-A164 PolarHBondContact O-N 2.85Å
161S96.9Very high91.2Very high0 Ų044.3 Ų44.30%025%0.245CC..Hα-helixtrans-67.1-36-179-166.50000112.7Q89 I90 G93 P157 L158 P159 S165Q89-S161 PolarHBondContact O-OG 3.42Å; I90-S161 WeakPolarHBondContact CA-OG 3.49Å; I90-S161 PolarHBondContact O-OG 3.49Å; G93-S161 WeakPolarHBondContact CA-OG 3.35Å; P157-S161 WeakPolarHBondContact O-CB 3.22Å; P157-S161 PolarHBondContact O-N 3.36Å; L158-S161 PolarHBondContact O-N 2.95Å; P159-S161 VanDerWaalsContact C-N 3.33Å; P159-S161 PolarHBondContact O-N 2.96Å; S161-S165 VanDerWaalsContact O-CB 3.27Å; S161-S165 WeakPolarHBondContact O-CB 3.14Å; S161-S165 PolarHBondContact O-N 3.4Å; S161-S165 PolarHBondContact O-OG 2.99Å
162I97.2Very high91.5Very high72 Ų7239.6 Ų39.637%0.36923%0.226SC..Hα-helixtrans-64.8-52.1174.8-69166.9000110I90 L158 P159 I160 A164 S165 V166I90-I162 HydrophobicContact CD1-CG1 4.24Å; I90-I162 HydrophobicContact CG1-CG1 4.46Å; I90-I162 HydrophobicContact CG2-CG1 4.35Å; L158-I162 HydrophobicContact CD1-CD1 3.86Å; L158-I162 HydrophobicContact CD1-CG1 4.34Å; L158-I162 HydrophobicContact CG-CD1 4.06Å; L158-I162 WeakPolarHBondContact O-CG1 3.31Å; L158-I162 PolarHBondContact O-N 3.48Å; P159-I162 PolarHBondContact O-N 3.36Å; I160-I162 PolarHBondContact O-N 2.93Å; I162-A164 VanDerWaalsContact C-N 3.32Å; I162-A164 PolarHBondContact O-N 2.9Å; I162-S165 PolarHBondContact O-N 3.45Å; I162-S165 VanDerWaalsContact O-N 3.13Å; I162-V166 WeakPolarHBondContact O-CG2 3.5Å; I162-V166 PolarHBondContact O-N 3.17Å
163A97.4Very high92.3Very high27 Ų2743.7 Ų43.722%0.22323%0.228CC..Hα-helixtrans-56.8-48179.500000111.2T146 P159 I160 S165 V166 T167T146-A163 HydrophobicContact CG2-CB 4.15Å; T146-A163 VanDerWaalsContact OG1-CB 3.29Å; T146-A163 WeakPolarHBondContact OG1-CB 3.43Å; P159-A163 WeakPolarHBondContact O-CB 3.38Å; P159-A163 PolarHBondContact O-N 2.91Å; I160-A163 PolarHBondContact O-N 3.32Å; A163-S165 PolarHBondContact O-N 3.09Å; A163-V166 PolarHBondContact O-N 3.34Å; A163-T167 PolarHBondContact O-N 3Å; A163-T167 PolarHBondContact O-OG1 3.39Å; A163-T167 VanDerWaalsContact O-OG1 3.13Å
164A97.7Very high92.8Very high0 Ų046.6 Ų46.60%024%0.236CC..Hα-helixtrans-59.2-42.817600000112.8V123 T139 C143 I160 I162 T167 A168V123-A164 HydrophobicContact CB-CB 4.26Å; V123-A164 HydrophobicContact CG1-CB 4.08Å; V123-A164 HydrophobicContact CG2-CB 3.92Å; T139-A164 HydrophobicContact CG2-CB 4.07Å; C143-A164 WeakPolarHBondContact SG-CB 3.44Å; I160-A164 VanDerWaalsContact O-CB 3.23Å; I160-A164 WeakPolarHBondContact O-CB 3.36Å; I160-A164 PolarHBondContact O-N 2.85Å; I162-A164 VanDerWaalsContact C-N 3.32Å; I162-A164 PolarHBondContact O-N 2.9Å; A164-T167 PolarHBondContact O-N 3.26Å; A164-A168 WeakPolarHBondContact O-CB 3.35Å; A164-A168 PolarHBondContact O-N 3.29Å
165S97.7Very high93.2Very high0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-68.1-36.7-179.9-58.50000112.3Q89 I90 S161 I162 A163 S169Q89-S165 VanDerWaalsContact CB-OG 3.31Å; Q89-S165 WeakPolarHBondContact CB-OG 3.43Å; I90-S165 WeakPolarHBondContact CG1-OG 3.37Å; I90-S165 PolarHBondContact N-OG 3.08Å; S161-S165 VanDerWaalsContact O-CB 3.27Å; S161-S165 WeakPolarHBondContact O-CB 3.14Å; S161-S165 PolarHBondContact O-N 3.4Å; S161-S165 PolarHBondContact O-OG 2.99Å; I162-S165 PolarHBondContact O-N 3.45Å; I162-S165 VanDerWaalsContact O-N 3.13Å; A163-S165 PolarHBondContact O-N 3.09Å; S165-S169 VanDerWaalsContact O-CB 3.24Å; S165-S169 WeakPolarHBondContact O-CB 3.32Å; S165-S169 PolarHBondContact O-N 3.01Å; S165-S169 PolarHBondContact O-OG 2.88Å
166V97.6Very high92.7Very high57 Ų5746.7 Ų46.735%0.34524%0.236SC..Hα-helixtrans-64.1-50.7173.5171.50000110F86 I162 A163 A168 S169 Q170F86-V166 HydrophobicContact CE2-CG2 4.14Å; F86-V166 HydrophobicContact CZ-CG2 4.08Å; I162-V166 WeakPolarHBondContact O-CG2 3.5Å; I162-V166 PolarHBondContact O-N 3.17Å; A163-V166 PolarHBondContact O-N 3.34Å; V166-A168 VanDerWaalsContact C-N 3.34Å; V166-A168 PolarHBondContact O-N 2.98Å; V166-S169 WeakPolarHBondContact O-CB 3.34Å; V166-S169 PolarHBondContact O-N 3.42Å; V166-S169 VanDerWaalsContact O-N 3.16Å; V166-Q170 WeakPolarHBondContact O-CG 3.14Å; V166-Q170 PolarHBondContact O-N 2.74Å
167T96.9Very high91.6Very high23 Ų2351.9 Ų51.914%0.14126%0.26CS..Hα-helixtrans-62.2-42.1178-56.40000111.8K138 A142 A163 A164 S169 Q170 H171K138-T167 HydrophobicContact CB-CG2 4.13Å; A142-T167 HydrophobicContact CB-CG2 4.17Å; A142-T167 VanDerWaalsContact CB-OG1 3.3Å; A142-T167 WeakPolarHBondContact CB-OG1 3.36Å; A163-T167 PolarHBondContact O-N 3Å; A163-T167 PolarHBondContact O-OG1 3.39Å; A163-T167 VanDerWaalsContact O-OG1 3.13Å; A164-T167 PolarHBondContact O-N 3.26Å; T167-S169 PolarHBondContact O-N 2.96Å; T167-Q170 PolarHBondContact O-N 3.28Å; T167-H171 PolarHBondContact O-N 3.48Å; T167-H171 PolarHBondContact O-ND1 3.28Å
168A96.2Very high89.6Confident0 Ų056.5 Ų56.50%029%0.29CS..Hα-helixtrans-61.3-36.8177.100000111.6V123 T134 T139 A164 V166 R172V123-A168 HydrophobicContact CG1-CB 4.01Å; T134-A168 HydrophobicContact CG2-CB 3.99Å; T134-A168 VanDerWaalsContact OG1-CA 3.28Å; T134-A168 WeakPolarHBondContact OG1-CA 3.41Å; T134-A168 PolarHBondContact OG1-O 3.3Å; T139-A168 HydrophobicContact CG2-CB 4.31Å; A164-A168 WeakPolarHBondContact O-CB 3.35Å; A164-A168 PolarHBondContact O-N 3.29Å; V166-A168 VanDerWaalsContact C-N 3.34Å; V166-A168 PolarHBondContact O-N 2.98Å; A168-R172 VanDerWaalsContact O-CG 3.23Å; A168-R172 WeakPolarHBondContact O-CG 3.43Å; A168-R172 PolarHBondContact O-N 3.21Å
169S94.8Very high87.4Confident20 Ų2057.5 Ų57.514%0.1430%0.304CS..Hα-helixtrans-71.2-35.5175.4-73.70000113.1F86 S165 V166 T167 H171 R172F86-S169 WeakPolarHBondContact CD2-OG 3.43Å; S165-S169 VanDerWaalsContact O-CB 3.24Å; S165-S169 WeakPolarHBondContact O-CB 3.32Å; S165-S169 PolarHBondContact O-N 3.01Å; S165-S169 PolarHBondContact O-OG 2.88Å; V166-S169 WeakPolarHBondContact O-CB 3.34Å; V166-S169 PolarHBondContact O-N 3.42Å; V166-S169 VanDerWaalsContact O-N 3.16Å; T167-S169 PolarHBondContact O-N 2.96Å; S169-H171 VanDerWaalsContact C-N 3.31Å; S169-R172 VanDerWaalsContact CA-NH1 3.28Å; S169-R172 VanDerWaalsContact CB-NH1 3.27Å; S169-R172 WeakPolarHBondContact O-CG 3.29Å; S169-R172 PolarHBondContact O-NE 3.28Å; S169-R172 PolarHBondContact O-NH1 3.38Å; S169-R172 PolarHBondContact O-NH2 3.42Å
170Q94.4Very high84.9Confident138 Ų13861 Ų6165%0.64533%0.33SS*.Hα-helixtrans-71-30.1175.6-70.6170.4-19.500112.2V166 T167V166-Q170 WeakPolarHBondContact O-CG 3.14Å; V166-Q170 PolarHBondContact O-N 2.74Å; T167-Q170 PolarHBondContact O-N 3.28Å
171H93.9Very high82.4Confident61 Ų6164.8 Ų64.828%0.28237%0.368SS..THydrogen-bonded Turntrans-111.133.5-173.3-61.394.2000113.9T134 D135 K138 T167 S169T134-H171 PolarHBondContact OG1-O 3.44Å; D135-H171 HydrophobicContact CB-CB 4.02Å; D135-H171 PolarHBondContact N-O 2.92Å; K138-H171 HydrophobicContact CD-CB 4.46Å; K138-H171 WeakPolarHBondContact CD-CD2 3.49Å; K138-H171 WeakPolarHBondContact CD-NE2 3.43Å; K138-H171 PolarHBondContact NZ-CD2 3.27Å; K138-H171 PolarHBondContact NZ-NE2 3.43Å; T167-H171 PolarHBondContact O-N 3.48Å; T167-H171 PolarHBondContact O-ND1 3.28Å; S169-H171 VanDerWaalsContact C-N 3.31Å
172R92.8Very high80Confident46 Ų4668.6 Ų68.617%0.17440%0.395CS..EExtended strand (participates in β ladder)trans-69.2141.5178-62.3-178.1-64.5-89.8-16.2111.8P79 V81 A168 S169P79-R172 HydrophobicContact CG-CB 3.67Å; P79-R172 PolarHBondContact O-NE 3.37Å; V81-R172 VanDerWaalsContact CG1-CZ 3.48Å; V81-R172 VanDerWaalsContact CG1-NH1 3.3Å; A168-R172 VanDerWaalsContact O-CG 3.23Å; A168-R172 WeakPolarHBondContact O-CG 3.43Å; A168-R172 PolarHBondContact O-N 3.21Å; S169-R172 VanDerWaalsContact CA-NH1 3.28Å; S169-R172 VanDerWaalsContact CB-NH1 3.27Å; S169-R172 WeakPolarHBondContact O-CG 3.29Å; S169-R172 PolarHBondContact O-NE 3.28Å; S169-R172 PolarHBondContact O-NH1 3.38Å; S169-R172 PolarHBondContact O-NH2 3.42Å
173R90.8Very high78.1Confident128 Ų12872.8 Ų72.848%0.48341%0.413SS..EExtended strand (participates in β ladder)trans-143.6157.1176.162.1-173.2177.7175.21.7110.7T133 T134T133-R173 HydrophobicContact CG2-CG 3.62Å; T133-R173 PolarHBondContact N-O 3.28Å; T133-R173 PolarHBondContact O-N 3.01Å; T134-R173 PolarHBondContact O-NE 2.9Å; T134-R173 PolarHBondContact O-NH2 2.9Å
174F88Confident76.5Confident99 Ų9976 Ų7643%0.43442%0.423SS..EExtended strand (participates in β ladder)trans-72.2149.9167.9-70-78.4000110.1P79 E131P79-F174 HydrophobicContact CB-CE1 4.02Å; P79-F174 HydrophobicContact CB-CE2 4.08Å; P79-F174 HydrophobicContact CB-CZ 3.7Å; E131-F174 WeakPolarHBondContact O-CA 3.49Å
175K85.3Confident75.7Confident62 Ų6282.9 Ų82.927%0.2746%0.455SS..  trans-66138.5173.1-72.9-179.3177173.50109.9S128 G130 E131 T133 H177S128-K175 WeakPolarHBondContact O-CE 3.46Å; S128-K175 PolarHBondContact O-NZ 2.98Å; G130-K175 WeakPolarHBondContact O-CD 3.49Å; G130-K175 WeakPolarHBondContact O-CE 3.24Å; G130-K175 PolarHBondContact O-NZ 3.25Å; E131-K175 PolarHBondContact O-N 3.25Å; T133-K175 HydrophobicContact CG2-CG 4.01Å; K175-H177 PolarHBondContact O-N 3.31Å
176T70.7Confident75.1Confident135 Ų13587.9 Ų87.983%0.82848%0.482SS*.  trans-81.4108.6168.452.40000108.1
177H63.1Low74.7Confident109 Ų10987.4 Ų87.451%0.50549%0.488SS..PPolyproline II helixtrans-71127.3172.3-72.9-74.3000109.1E62 E131 K175E62-H177 IonicContact OE1-CE1 2.85Å; E131-H177 IonicContact OE2-CD2 3.93Å; E131-H177 IonicContact OE2-CE1 3.67Å; E131-H177 PolarHBondContact OE2-CE1 3.13Å; E131-H177 IonicContact OE2-NE2 3.11Å; E131-H177 PolarHBondContact OE2-NE2 3.12Å; K175-H177 PolarHBondContact O-N 3.31Å
178P51.2Low74.3Confident100 Ų10089.4 Ų89.465%0.64950%0.501SS*.PPolyproline II helixtrans-59.9143169.623.7-29000109.2
179S43Very low74Confident106 Ų10691.2 Ų91.274%0.74151%0.508SS*.PPolyproline II helixtrans-51142.817841.40000111.2G181S179-G181 PolarHBondContact O-N 2.91Å
180S42.3Very low73.8Confident99 Ų9993.8 Ų93.869%0.69252%0.52SS*.THydrogen-bonded Turntrans-62.825.1-160.754.40000118.1G66G66-S180 WeakPolarHBondContact O-CB 3.35Å; G66-S180 PolarHBondContact O-OG 3.23Å; G66-S180 VanDerWaalsContact O-OG 3.1Å
181G43.1Very low73.7Confident78 Ų7894.8 Ų94.880%0.80452%0.519SS*.THydrogen-bonded Turntrans-101-13.4-174.100000117.1S179S179-G181 PolarHBondContact O-N 2.91Å
182S46.1Very low73.7Confident81 Ų8197.4 Ų97.457%0.56653%0.526SS*.  trans-129.594.4178.168.70000111.1Q184S182-Q184 PolarHBondContact O-N 3.13Å
183Q57Low73.7Confident159 Ų15996 Ų9674%0.74352%0.522SS*.  trans-62.2100.1155.6-70-131.9-29.500105.8E185Q183-E185 PolarHBondContact O-N 2.84Å; Q183-E185 VanDerWaalsContact O-N 3.16Å
184Q64.8Low73.7Confident94 Ų9492.4 Ų92.444%0.43952%0.52SS..  trans-56.4125.7177-77.9178.6-1.400108.3S182 R189S182-Q184 PolarHBondContact O-N 3.13Å; Q184-R189 HydrophobicContact CB-CG 4.16Å
185E80.8Confident74Confident146 Ų14692.2 Ų92.268%0.68252%0.523SS*.  trans-53.7149.1177.3-66.6-179.9173.100110.4Q183 G187 P188Q183-E185 PolarHBondContact O-N 2.84Å; Q183-E185 VanDerWaalsContact O-N 3.16Å; E185-G187 PolarHBondContact O-N 2.86Å; E185-P188 HydrophobicContact CB-CG 4.31Å; E185-P188 WeakPolarHBondContact O-CD 3.39Å
186L85.2Confident74.4Confident105 Ų10592.6 Ų92.655%0.5553%0.53SS..Hα-helixtrans-59.5-37.4-178.7-168.679.7000111.2R189 L190L186-R189 PolarHBondContact O-N 3.12Å; L186-L190 HydrophobicContact CD2-CD1 3.86Å; L186-L190 HydrophobicContact CG-CD1 3.77Å; L186-L190 HydrophobicContact CG-CG 4.11Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.31Å
187G88.5Confident75.5Confident46 Ų4691.7 Ų91.747%0.47451%0.512SS..Hα-helixtrans-55.9-60.6-177.600000113.6E185 R189 L190 Y191E185-G187 PolarHBondContact O-N 2.86Å; G187-R189 VanDerWaalsContact C-N 3.25Å; G187-R189 PolarHBondContact O-N 3.29Å; G187-L190 PolarHBondContact O-N 3.25Å; G187-L190 VanDerWaalsContact O-N 3.17Å; G187-Y191 WeakPolarHBondContact O-CB 3.44Å; G187-Y191 PolarHBondContact O-N 2.86Å
188P89.4Confident76.9Confident65 Ų6591 Ų9142%0.42251%0.511SS..Hα-helixtrans-57.5-34.3177.8-27.934.4000114.3E185 R192E185-P188 HydrophobicContact CB-CG 4.31Å; E185-P188 WeakPolarHBondContact O-CD 3.39Å; P188-R192 WeakPolarHBondContact O-CG 3.24Å; P188-R192 PolarHBondContact O-N 3.45Å; P188-R192 VanDerWaalsContact O-N 3.12Å
189R89.4Confident78.8Confident38 Ų3889.5 Ų89.514%0.14351%0.508CS..Hα-helixtrans-65.2-50.8175.3-71.1173.458-146.4-11.3111.1L23 D28 Q184 L186 G187 Y191 R192 L193L23-R189 PolarHBondContact O-NH2 2.85Å; L23-R189 VanDerWaalsContact O-NH2 3.1Å; D28-R189 IonicContact OD1-CZ 3.76Å; D28-R189 IonicContact OD1-NE 3.27Å; D28-R189 PolarHBondContact OD1-NE 3.05Å; D28-R189 IonicContact OD1-NH2 3.98Å; D28-R189 PolarHBondContact OD1-NH2 3.15Å; D28-R189 IonicContact OD2-CZ 2.77Å; D28-R189 IonicContact OD2-NE 3.94Å; D28-R189 PolarHBondContact OD2-NE 3.09Å; D28-R189 IonicContact OD2-NH2 3.37Å; Q184-R189 HydrophobicContact CB-CG 4.16Å; L186-R189 PolarHBondContact O-N 3.12Å; G187-R189 VanDerWaalsContact C-N 3.25Å; G187-R189 PolarHBondContact O-N 3.29Å; R189-Y191 VanDerWaalsContact C-N 3.32Å; R189-Y191 PolarHBondContact O-N 3.25Å; R189-R192 PolarHBondContact O-N 3.28Å; R189-L193 WeakPolarHBondContact O-CG 3.35Å; R189-L193 PolarHBondContact O-N 3.4Å
190L91.2Very high81.1Confident74 Ų7486 Ų8639%0.38748%0.479SS..Hα-helixtrans-61.8-40.1177.2-69.2176.7000111.8L23 L186 G187 L193 A194L23-L190 HydrophobicContact CD1-CD2 4.13Å; L186-L190 HydrophobicContact CD2-CD1 3.86Å; L186-L190 HydrophobicContact CG-CD1 3.77Å; L186-L190 HydrophobicContact CG-CG 4.11Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.31Å; G187-L190 PolarHBondContact O-N 3.25Å; G187-L190 VanDerWaalsContact O-N 3.17Å; L190-L193 PolarHBondContact O-N 3.45Å; L190-A194 VanDerWaalsContact O-CB 3.25Å; L190-A194 WeakPolarHBondContact O-CB 3.11Å; L190-A194 PolarHBondContact O-N 3.02Å
191Y92.3Very high83.3Confident159 Ų15982.8 Ų82.862%0.62446%0.456SS*.Hα-helixtrans-59.5-48.7176.7176.6-101.5000112.1G187 R189 L193 A194 L195G187-Y191 WeakPolarHBondContact O-CB 3.44Å; G187-Y191 PolarHBondContact O-N 2.86Å; R189-Y191 VanDerWaalsContact C-N 3.32Å; R189-Y191 PolarHBondContact O-N 3.25Å; Y191-L193 VanDerWaalsContact C-N 3.35Å; Y191-L193 PolarHBondContact O-N 3Å; Y191-A194 PolarHBondContact O-N 3.29Å; Y191-L195 WeakPolarHBondContact O-CB 3.11Å; Y191-L195 PolarHBondContact O-N 3Å
192R92.1Very high85.4Confident117 Ų11781.3 Ų81.344%0.44244%0.437SS..Hα-helixtrans-62.3-42.5177-72-176.2-60.6-163.12.4112P188 R189 L195 V196P188-R192 WeakPolarHBondContact O-CG 3.24Å; P188-R192 PolarHBondContact O-N 3.45Å; P188-R192 VanDerWaalsContact O-N 3.12Å; R189-R192 PolarHBondContact O-N 3.28Å; R192-L195 PolarHBondContact O-N 3.31Å; R192-V196 VanDerWaalsContact O-CG2 3.32Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 2.9Å
193L92.6Very high87.3Confident15 Ų1579 Ų798%0.07942%0.42CS..Hα-helixtrans-64.5-42.8177.7-72.9170.3000112L23 D28 L32 M35 R189 L190 Y191 V196 W197L23-L193 HydrophobicContact CD2-CD1 3.31Å; D28-L193 HydrophobicContact CB-CD1 4.42Å; D28-L193 HydrophobicContact CB-CD2 4.34Å; L32-L193 HydrophobicContact CB-CD2 3.83Å; L32-L193 HydrophobicContact CD1-CD2 4.25Å; L32-L193 HydrophobicContact CG-CD2 4.42Å; M35-L193 HydrophobicContact CE-CB 4.21Å; M35-L193 HydrophobicContact CE-CD1 4.44Å; M35-L193 HydrophobicContact CE-CD2 4.1Å; R189-L193 WeakPolarHBondContact O-CG 3.35Å; R189-L193 PolarHBondContact O-N 3.4Å; L190-L193 PolarHBondContact O-N 3.45Å; Y191-L193 VanDerWaalsContact C-N 3.35Å; Y191-L193 PolarHBondContact O-N 3Å; L193-V196 PolarHBondContact O-N 3.42Å; L193-W197 VanDerWaalsContact O-CB 3.29Å; L193-W197 WeakPolarHBondContact O-CB 3.3Å; L193-W197 PolarHBondContact O-N 3.12Å
194A92.2Very high88.5Confident54 Ų5472.9 Ų72.945%0.44639%0.392SS..Hα-helixtrans-62.7-42.1176.100000111.4L190 Y191 W197 L198L190-A194 VanDerWaalsContact O-CB 3.25Å; L190-A194 WeakPolarHBondContact O-CB 3.11Å; L190-A194 PolarHBondContact O-N 3.02Å; Y191-A194 PolarHBondContact O-N 3.29Å; A194-W197 PolarHBondContact O-N 2.83Å; A194-L198 VanDerWaalsContact O-CB 3.23Å; A194-L198 WeakPolarHBondContact O-CB 3.28Å; A194-L198 PolarHBondContact O-N 3.23Å
195L94.3Very high89Confident95 Ų9569.5 Ų69.550%0.49738%0.382SS..Hα-helixtrans-62-44.7176.5-17173.1000111.6Y191 R192 L198 A199Y191-L195 WeakPolarHBondContact O-CB 3.11Å; Y191-L195 PolarHBondContact O-N 3Å; R192-L195 PolarHBondContact O-N 3.31Å; L195-L198 PolarHBondContact O-N 3.19Å; L195-A199 VanDerWaalsContact O-CB 3.31Å; L195-A199 WeakPolarHBondContact O-CB 3.18Å; L195-A199 PolarHBondContact O-N 2.95Å
196V93.8Very high88.9Confident69 Ų6969.7 Ų69.742%0.41838%0.377SS..Hα-helixtrans-68.6-41.1178.4178.20000111.3L32 R192 L193 A199 F200L32-V196 HydrophobicContact CD1-CB 4.31Å; L32-V196 HydrophobicContact CD1-CG1 4.01Å; L32-V196 HydrophobicContact CD2-CB 4.29Å; L32-V196 HydrophobicContact CD2-CG1 3.6Å; L32-V196 HydrophobicContact CG-CG1 4.4Å; R192-V196 VanDerWaalsContact O-CG2 3.32Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 2.9Å; L193-V196 PolarHBondContact O-N 3.42Å; V196-A199 PolarHBondContact O-N 2.76Å; V196-F200 PolarHBondContact O-N 2.59Å
197W92.8Very high88.3Confident116 Ų11665.2 Ų65.244%0.43936%0.355SS..Hα-helixtrans-60.8-46175.6-179.684.6000111.3L193 A194 F200 S201L193-W197 VanDerWaalsContact O-CB 3.29Å; L193-W197 WeakPolarHBondContact O-CB 3.3Å; L193-W197 PolarHBondContact O-N 3.12Å; A194-W197 PolarHBondContact O-N 2.83Å; W197-F200 PolarHBondContact O-N 3.09Å; W197-S201 WeakPolarHBondContact O-CB 3.47Å; W197-S201 PolarHBondContact O-N 3.46Å; W197-S201 PolarHBondContact O-OG 3.49Å; W197-S201 VanDerWaalsContact O-OG 3.12Å
198L92.3Very high87.3Confident95 Ų9567.1 Ų67.150%0.49735%0.354SS..Hα-helixtrans-63.4-43.4176.5-175.368.2000111.6A194 L195 F200 S201 A202A194-L198 VanDerWaalsContact O-CB 3.23Å; A194-L198 WeakPolarHBondContact O-CB 3.28Å; A194-L198 PolarHBondContact O-N 3.23Å; L195-L198 PolarHBondContact O-N 3.19Å; L198-F200 PolarHBondContact O-N 3.26Å; L198-S201 PolarHBondContact O-N 3.3Å; L198-A202 HydrophobicContact CD1-CB 4.34Å; L198-A202 WeakPolarHBondContact O-CB 3.48Å; L198-A202 PolarHBondContact O-N 2.96Å
199A91.4Very high86.2Confident69 Ų6972.4 Ų72.457%0.5737%0.37SS*.Hα-helixtrans-61.1-32.3177.400000112.4L195 V196 P203L195-A199 VanDerWaalsContact O-CB 3.31Å; L195-A199 WeakPolarHBondContact O-CB 3.18Å; L195-A199 PolarHBondContact O-N 2.95Å; V196-A199 PolarHBondContact O-N 2.76Å; A199-P203 VanDerWaalsContact O-CD 3.26Å; A199-P203 WeakPolarHBondContact O-CD 3.45Å
200F92Very high84.8Confident33 Ų3376.9 Ų76.915%0.14539%0.393CS..Hα-helixtrans-79.2-44175.2-174.4-87.3000112.6L36 Y95 F96 V99 V196 W197 L198 L204L36-F200 HydrophobicContact CD1-CD2 4.28Å; L36-F200 HydrophobicContact CD1-CG 4.27Å; L36-F200 HydrophobicContact CD2-CB 3.85Å; L36-F200 HydrophobicContact CD2-CD1 3.56Å; L36-F200 HydrophobicContact CD2-CD2 4.49Å; L36-F200 HydrophobicContact CD2-CE1 4.16Å; L36-F200 HydrophobicContact CD2-CG 3.72Å; Y95-F200 HydrophobicContact CE1-CE1 4.28Å; Y95-F200 AromaticContact CE1-CZ 3.69Å; Y95-F200 HydrophobicContact CE1-CZ 3.69Å; F96-F200 HydrophobicContact CD1-CD2 4.21Å; F96-F200 AromaticContact CD1-CE2 3.68Å; F96-F200 HydrophobicContact CD1-CE2 3.68Å; F96-F200 AromaticContact CD2-CE2 3.84Å; F96-F200 HydrophobicContact CD2-CE2 3.84Å; F96-F200 HydrophobicContact CD2-CZ 4.23Å; F96-F200 AromaticContact CE1-CD2 3.84Å; F96-F200 HydrophobicContact CE1-CD2 3.84Å; F96-F200 AromaticContact CE1-CE2 3.59Å; F96-F200 HydrophobicContact CE1-CE2 3.59Å; F96-F200 AromaticContact CE2-CE2 3.74Å; F96-F200 HydrophobicContact CE2-CE2 3.74Å; F96-F200 HydrophobicContact CE2-CZ 4.12Å; F96-F200 AromaticContact CG-CE2 3.81Å; F96-F200 HydrophobicContact CG-CE2 3.81Å; F96-F200 HydrophobicContact CZ-CD2 4.05Å; F96-F200 AromaticContact CZ-CE2 3.62Å; F96-F200 HydrophobicContact CZ-CE2 3.62Å; F96-F200 HydrophobicContact CZ-CZ 4.36Å; V99-F200 HydrophobicContact CB-CE2 4.46Å; V99-F200 HydrophobicContact CB-CZ 4.03Å; V99-F200 HydrophobicContact CG1-CE1 4.04Å; V99-F200 HydrophobicContact CG1-CE2 3.92Å; V99-F200 HydrophobicContact CG1-CZ 3.65Å; V99-F200 HydrophobicContact CG2-CE1 4.3Å; V99-F200 HydrophobicContact CG2-CZ 3.85Å; V196-F200 PolarHBondContact O-N 2.59Å; W197-F200 PolarHBondContact O-N 3.09Å; L198-F200 PolarHBondContact O-N 3.26Å; F200-L204 HydrophobicContact CD1-CD1 4.35Å; F200-L204 HydrophobicContact CE1-CD1 4.02Å
201S87.7Confident83.3Confident30 Ų3077.4 Ų77.421%0.2140%0.395CS..Hα-helixtrans-83.7-28.7-172.469.80000113.9W197 L198 L204 G205W197-S201 WeakPolarHBondContact O-CB 3.47Å; W197-S201 PolarHBondContact O-N 3.46Å; W197-S201 PolarHBondContact O-OG 3.49Å; W197-S201 VanDerWaalsContact O-OG 3.12Å; L198-S201 PolarHBondContact O-N 3.3Å; S201-L204 WeakPolarHBondContact O-CB 3.1Å; S201-L204 PolarHBondContact O-N 2.81Å; S201-G205 PolarHBondContact O-N 3.15Å
202A87.9Confident81.5Confident48 Ų4873.4 Ų73.440%0.39739%0.388SS..Hα-helixtrans-64.8-43.8-175.100000113.6L198 L204 G205 Y206L198-A202 HydrophobicContact CD1-CB 4.34Å; L198-A202 WeakPolarHBondContact O-CB 3.48Å; L198-A202 PolarHBondContact O-N 2.96Å; A202-L204 VanDerWaalsContact C-N 3.3Å; A202-L204 PolarHBondContact O-N 3.3Å; A202-G205 PolarHBondContact O-N 2.93Å; A202-Y206 WeakPolarHBondContact O-CB 3.41Å; A202-Y206 PolarHBondContact O-N 3.4Å
203P86.6Confident79.5Confident32 Ų3270.6 Ų70.621%0.20838%0.384CS..Hα-helixtrans-63.2-37.2175.2-22.834.4000112.8L104 A199 S207L104-P203 HydrophobicContact CD2-CB 3.55Å; L104-P203 HydrophobicContact CD2-CG 3.83Å; L104-P203 HydrophobicContact CG-CB 4.01Å; L104-P203 HydrophobicContact CG-CG 4.47Å; A199-P203 VanDerWaalsContact O-CD 3.26Å; A199-P203 WeakPolarHBondContact O-CD 3.45Å; P203-S207 WeakPolarHBondContact O-CB 3.44Å; P203-S207 PolarHBondContact O-N 2.9Å
204L81Confident77.5Confident31 Ų3171 Ų7116%0.16239%0.389CS..Hα-helixtrans-64-48.8173.6-76.3173.6000111.4V99 I102 F200 S201 A202 Y206 S207 I208V99-L204 HydrophobicContact CB-CD1 4.33Å; V99-L204 HydrophobicContact CB-CD2 4.31Å; V99-L204 HydrophobicContact CG1-CD1 3.53Å; V99-L204 HydrophobicContact CG1-CD2 3.82Å; V99-L204 HydrophobicContact CG1-CG 3.68Å; V99-L204 HydrophobicContact CG2-CD1 3.96Å; V99-L204 HydrophobicContact CG2-CD2 4.32Å; I102-L204 HydrophobicContact CB-CD2 4.18Å; I102-L204 HydrophobicContact CG2-CD2 4Å; F200-L204 HydrophobicContact CD1-CD1 4.35Å; F200-L204 HydrophobicContact CE1-CD1 4.02Å; S201-L204 WeakPolarHBondContact O-CB 3.1Å; S201-L204 PolarHBondContact O-N 2.81Å; A202-L204 VanDerWaalsContact C-N 3.3Å; A202-L204 PolarHBondContact O-N 3.3Å; L204-Y206 PolarHBondContact O-N 2.91Å; L204-S207 PolarHBondContact O-N 3.1Å; L204-I208 VanDerWaalsContact O-CG1 3.25Å; L204-I208 WeakPolarHBondContact O-CG1 3.27Å; L204-I208 PolarHBondContact O-N 3.26Å
205G74.8Confident75.5Confident22 Ų2269 Ų6923%0.22737%0.372CS..Hα-helixtrans-58.4-47.8177.300000111.4S201 A202 S207 I208 F209S201-G205 PolarHBondContact O-N 3.15Å; A202-G205 PolarHBondContact O-N 2.93Å; G205-S207 PolarHBondContact O-N 3.09Å; G205-I208 PolarHBondContact O-N 3.33Å; G205-F209 WeakPolarHBondContact O-CD2 3.24Å; G205-F209 PolarHBondContact O-N 3.38Å
206Y79.9Confident73.7Confident150 Ų15067.1 Ų67.159%0.58836%0.362SS*.Hα-helixtrans-57.4-46.6175.3-179.9-95.9000111.8A202 L204 I208 F209 H210A202-Y206 WeakPolarHBondContact O-CB 3.41Å; A202-Y206 PolarHBondContact O-N 3.4Å; L204-Y206 PolarHBondContact O-N 2.91Å; Y206-I208 PolarHBondContact O-N 3.39Å; Y206-F209 PolarHBondContact O-N 3Å; Y206-H210 HydrophobicContact CD1-CB 4.48Å; Y206-H210 HydrophobicContact CD2-CB 4.35Å; Y206-H210 HydrophobicContact CE1-CB 4.19Å; Y206-H210 HydrophobicContact CE2-CB 4.07Å; Y206-H210 AromaticContact CE2-CD2 3.42Å; Y206-H210 VanDerWaalsContact CE2-CD2 3.42Å; Y206-H210 WeakPolarHBondContact CE2-CD2 3.5Å; Y206-H210 AromaticContact CE2-CG 3.91Å; Y206-H210 AromaticContact CZ-CD2 3.72Å; Y206-H210 AromaticContact CZ-CG 3.83Å; Y206-H210 WeakPolarHBondContact O-CB 3.26Å; Y206-H210 PolarHBondContact O-N 3.42Å
207S71.8Confident71.7Confident11 Ų1166.1 Ų66.18%0.07735%0.351CS..Hα-helixtrans-58.3-47.8176.2-177.20000111.6I102 P203 L204 G205 F209 N211 T215I102-S207 WeakPolarHBondContact O-CB 2.97Å; I102-S207 PolarHBondContact O-OG 3.45Å; P203-S207 WeakPolarHBondContact O-CB 3.44Å; P203-S207 PolarHBondContact O-N 2.9Å; L204-S207 PolarHBondContact O-N 3.1Å; G205-S207 PolarHBondContact O-N 3.09Å; S207-F209 PolarHBondContact O-N 3.19Å; S207-N211 CarbonylContact O-C 3.41Å; S207-N211 WeakPolarHBondContact O-CA 3.32Å; S207-N211 WeakPolarHBondContact O-CB 3.48Å; S207-N211 PolarHBondContact O-N 2.96Å; S207-T215 VanDerWaalsContact C-OG1 3.29Å; S207-T215 PolarHBondContact O-OG1 3.37Å; S207-T215 PolarHBondContact OG-OG1 2.64Å
208I68.1Low69.9Low87 Ų8764.6 Ų64.645%0.44635%0.346SS..Hα-helixtrans-60.5-45.9179.4-67.4164000112L204 G205 Y206 T212 T215L204-I208 VanDerWaalsContact O-CG1 3.25Å; L204-I208 WeakPolarHBondContact O-CG1 3.27Å; L204-I208 PolarHBondContact O-N 3.26Å; G205-I208 PolarHBondContact O-N 3.33Å; Y206-I208 PolarHBondContact O-N 3.39Å; I208-T212 WeakPolarHBondContact O-CA 3.5Å; I208-T212 PolarHBondContact O-OG1 3.39Å; I208-T215 HydrophobicContact CG1-CG2 3.68Å
209F65.9Low68.1Low175 Ų17565 Ų6577%0.76835%0.347SS*.Hα-helixtrans-80.1-32-175.6-73.6-66.3000113.5G205 Y206 S207G205-F209 WeakPolarHBondContact O-CD2 3.24Å; G205-F209 PolarHBondContact O-N 3.38Å; Y206-F209 PolarHBondContact O-N 3Å; S207-F209 PolarHBondContact O-N 3.19Å
210H59.8Low66.4Low133 Ų13364.5 Ų64.562%0.61634%0.34SS*.Hα-helixtrans-102.2-19.4-171.6-139.8-56.5000113.4Y206Y206-H210 HydrophobicContact CD1-CB 4.48Å; Y206-H210 HydrophobicContact CD2-CB 4.35Å; Y206-H210 HydrophobicContact CE1-CB 4.19Å; Y206-H210 HydrophobicContact CE2-CB 4.07Å; Y206-H210 AromaticContact CE2-CD2 3.42Å; Y206-H210 VanDerWaalsContact CE2-CD2 3.42Å; Y206-H210 WeakPolarHBondContact CE2-CD2 3.5Å; Y206-H210 AromaticContact CE2-CG 3.91Å; Y206-H210 AromaticContact CZ-CD2 3.72Å; Y206-H210 AromaticContact CZ-CG 3.83Å; Y206-H210 WeakPolarHBondContact O-CB 3.26Å; Y206-H210 PolarHBondContact O-N 3.42Å
211N60.9Low64.7Low84 Ų8467 Ų6745%0.44936%0.355SS..SBendtrans-131.540.8-177-149.93.2000111.3S207 T213 A214 T215S207-N211 CarbonylContact O-C 3.41Å; S207-N211 WeakPolarHBondContact O-CA 3.32Å; S207-N211 WeakPolarHBondContact O-CB 3.48Å; S207-N211 PolarHBondContact O-N 2.96Å; N211-T213 CarbonylContact O-C 3.4Å; N211-T213 PolarHBondContact O-N 2.95Å; N211-A214 HydrophobicContact CB-CB 4.42Å; N211-A214 WeakPolarHBondContact ND2-CB 3.22Å; N211-A214 PolarHBondContact O-N 3.42Å; N211-A214 WeakPolarHBondContact OD1-CB 3.42Å; N211-T215 PolarHBondContact O-N 3.33Å; N211-T215 PolarHBondContact O-OG1 3.09Å
212T54Low63.3Low75 Ų7568.3 Ų68.346%0.4636%0.363SS..Hα-helixtrans-47.7-41.5-167.7-42.10000112.7I208 L216I208-T212 WeakPolarHBondContact O-CA 3.5Å; I208-T212 PolarHBondContact O-OG1 3.39Å; T212-L216 HydrophobicContact CG2-CD1 3.98Å; T212-L216 VanDerWaalsContact O-CB 3.28Å; T212-L216 WeakPolarHBondContact O-CB 3.45Å; T212-L216 VanDerWaalsContact O-CD1 3.26Å; T212-L216 WeakPolarHBondContact O-CD1 3.38Å; T212-L216 PolarHBondContact O-N 3.49Å; T212-L216 VanDerWaalsContact O-N 3.08Å
213T48.8Very low61.8Low59 Ų5968.4 Ų68.436%0.36236%0.359SS..Hα-helixtrans-67.1-52.517619.50000112.8N211 T215 L216 Y217N211-T213 CarbonylContact O-C 3.4Å; N211-T213 PolarHBondContact O-N 2.95Å; T213-T215 PolarHBondContact O-N 3.27Å; T213-L216 PolarHBondContact O-N 3.41Å; T213-Y217 VanDerWaalsContact C-CD2 3.4Å; T213-Y217 HydrophobicContact CG2-CE2 4.02Å; T213-Y217 WeakPolarHBondContact O-CD2 3.37Å; T213-Y217 WeakPolarHBondContact O-CE2 3.34Å; T213-Y217 VanDerWaalsContact O-CG 3.29Å; T213-Y217 PolarHBondContact O-N 2.93Å
214A51.2Low60.6Low23 Ų2368.8 Ų68.819%0.1936%0.364CS..Hα-helixtrans-61.4-41.9179.700000112.5N211 Y217 Y218N211-A214 HydrophobicContact CB-CB 4.42Å; N211-A214 WeakPolarHBondContact ND2-CB 3.22Å; N211-A214 PolarHBondContact O-N 3.42Å; N211-A214 WeakPolarHBondContact OD1-CB 3.42Å; A214-Y217 PolarHBondContact O-N 3.2Å; A214-Y218 WeakPolarHBondContact O-CD2 3.27Å; A214-Y218 PolarHBondContact O-N 2.95Å
215T51.3Low59.5Low13 Ų1370.2 Ų70.28%0.0838%0.381CS..Hα-helixtrans-67.3-38179.1-45.90000111.8I102 S207 I208 N211 T213 L219I102-T215 HydrophobicContact CG2-CG2 3.81Å; S207-T215 VanDerWaalsContact C-OG1 3.29Å; S207-T215 PolarHBondContact O-OG1 3.37Å; S207-T215 PolarHBondContact OG-OG1 2.64Å; I208-T215 HydrophobicContact CG1-CG2 3.68Å; N211-T215 PolarHBondContact O-N 3.33Å; N211-T215 PolarHBondContact O-OG1 3.09Å; T213-T215 PolarHBondContact O-N 3.27Å; T215-L219 WeakPolarHBondContact O-CB 3.4Å; T215-L219 PolarHBondContact O-N 3.47Å
216L54.8Low58.8Low54 Ų5472.5 Ų72.528%0.28339%0.387SS..Hα-helixtrans-63.6-39.9170.9-95.9142.1000111.9T212 T213 S220 L271T212-L216 HydrophobicContact CG2-CD1 3.98Å; T212-L216 VanDerWaalsContact O-CB 3.28Å; T212-L216 WeakPolarHBondContact O-CB 3.45Å; T212-L216 VanDerWaalsContact O-CD1 3.26Å; T212-L216 WeakPolarHBondContact O-CD1 3.38Å; T212-L216 PolarHBondContact O-N 3.49Å; T212-L216 VanDerWaalsContact O-N 3.08Å; T213-L216 PolarHBondContact O-N 3.41Å; L216-S220 WeakPolarHBondContact O-CB 3.33Å; L216-S220 PolarHBondContact O-N 3.42Å; L216-L271 HydrophobicContact CB-CD2 4.26Å; L216-L271 HydrophobicContact CD2-CD1 3.85Å; L216-L271 HydrophobicContact CD2-CD2 4.15Å
217Y53.2Low57.9Low49 Ų4966.1 Ų66.119%0.19236%0.363CS..Hα-helixtrans-64.3-49.1176.6-67.4-54.1000112.2T213 A214 L219 S220 D221 E274T213-Y217 VanDerWaalsContact C-CD2 3.4Å; T213-Y217 HydrophobicContact CG2-CE2 4.02Å; T213-Y217 WeakPolarHBondContact O-CD2 3.37Å; T213-Y217 WeakPolarHBondContact O-CE2 3.34Å; T213-Y217 VanDerWaalsContact O-CG 3.29Å; T213-Y217 PolarHBondContact O-N 2.93Å; A214-Y217 PolarHBondContact O-N 3.2Å; Y217-L219 PolarHBondContact O-N 2.93Å; Y217-S220 PolarHBondContact O-N 3.48Å; Y217-D221 WeakPolarHBondContact O-CB 3.35Å; Y217-D221 PolarHBondContact O-N 3.03Å; Y217-E274 PolarHBondContact OH-OE1 2.83Å
218Y54.8Low57.6Low84 Ų8469.7 Ų69.733%0.32938%0.382SS..Hα-helixtrans-64.3-40.5177.2-77.4-69.4000112.6A214 D221 C222A214-Y218 WeakPolarHBondContact O-CD2 3.27Å; A214-Y218 PolarHBondContact O-N 2.95Å; Y218-D221 PolarHBondContact O-N 3.39Å; Y218-C222 WeakPolarHBondContact O-CB 3.36Å; Y218-C222 PolarHBondContact O-N 2.85Å; Y218-C222 PolarHBondContact O-SG 2.98Å
219L54.4Low57.3Low102 Ų10271 Ų7153%0.53439%0.387SS..Hα-helixtrans-66-43.3177.7-174.364.4000111.1T215 Y217 C222 V223T215-L219 WeakPolarHBondContact O-CB 3.4Å; T215-L219 PolarHBondContact O-N 3.47Å; Y217-L219 PolarHBondContact O-N 2.93Å; L219-C222 PolarHBondContact O-N 3.24Å; L219-V223 HydrophobicContact CD1-CG2 4.46Å; L219-V223 WeakPolarHBondContact O-CB 3.47Å; L219-V223 VanDerWaalsContact O-CG2 3.22Å; L219-V223 WeakPolarHBondContact O-CG2 3.32Å; L219-V223 PolarHBondContact O-N 2.94Å
220S55.5Low57.2Low59 Ų5964.8 Ų64.841%0.41336%0.36SS..Hα-helixtrans-60.4-48.2174.7177.80000111.3L216 Y217 C222 V223 A224L216-S220 WeakPolarHBondContact O-CB 3.33Å; L216-S220 PolarHBondContact O-N 3.42Å; Y217-S220 PolarHBondContact O-N 3.48Å; S220-C222 PolarHBondContact O-N 2.82Å; S220-V223 PolarHBondContact O-N 3.42Å; S220-A224 WeakPolarHBondContact O-CB 3.49Å; S220-A224 PolarHBondContact O-N 3.39Å
221D56.1Low57.3Low87 Ų8767.6 Ų67.647%0.46537%0.365SS..Hα-helixtrans-64.7-38.5179.5-76.1-9.1000112.1Y217 Y218 A225Y217-D221 WeakPolarHBondContact O-CB 3.35Å; Y217-D221 PolarHBondContact O-N 3.03Å; Y218-D221 PolarHBondContact O-N 3.39Å; D221-A225 WeakPolarHBondContact O-CB 3.26Å; D221-A225 PolarHBondContact O-N 2.71Å
222C57.7Low57.7Low56 Ų5669 Ų6938%0.37837%0.368SS..Hα-helixtrans-67.1-43174.8-76.10000112.2Y218 L219 S220 L226Y218-C222 WeakPolarHBondContact O-CB 3.36Å; Y218-C222 PolarHBondContact O-N 2.85Å; Y218-C222 PolarHBondContact O-SG 2.98Å; L219-C222 PolarHBondContact O-N 3.24Å; S220-C222 PolarHBondContact O-N 2.82Å; C222-L226 WeakPolarHBondContact O-CB 3.31Å; C222-L226 PolarHBondContact O-N 3.1Å
223V57.9Low58.9Low50 Ų5069.9 Ų69.930%0.30337%0.365SS..Hα-helixtrans-66.4-43.7177.3168.90000110.4L219 S220 L226 L227 L244L219-V223 HydrophobicContact CD1-CG2 4.46Å; L219-V223 WeakPolarHBondContact O-CB 3.47Å; L219-V223 VanDerWaalsContact O-CG2 3.22Å; L219-V223 WeakPolarHBondContact O-CG2 3.32Å; L219-V223 PolarHBondContact O-N 2.94Å; S220-V223 PolarHBondContact O-N 3.42Å; V223-L226 PolarHBondContact O-N 3.13Å; V223-L227 HydrophobicContact CG1-CD1 3.85Å; V223-L227 HydrophobicContact CG1-CG 4.37Å; V223-L227 WeakPolarHBondContact O-CB 3.48Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 3.29Å; V223-L244 HydrophobicContact CG1-CD1 4.12Å
224A60.3Low60Low40 Ų4071.3 Ų71.333%0.33138%0.376SS..Hα-helixtrans-60-51.7175.600000111S220 L226 L227 D228S220-A224 WeakPolarHBondContact O-CB 3.49Å; S220-A224 PolarHBondContact O-N 3.39Å; A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 3.35Å; A224-L227 PolarHBondContact O-N 3.02Å; A224-D228 VanDerWaalsContact O-CB 3.27Å; A224-D228 WeakPolarHBondContact O-CB 3.38Å; A224-D228 VanDerWaalsContact O-CG 3.24Å; A224-D228 PolarHBondContact O-N 3Å
225A59Low61.4Low61 Ų6178.7 Ų78.750%0.50440%0.399SS..Hα-helixtrans-60.5-36.2177.500000112.9D221 M229D221-A225 WeakPolarHBondContact O-CB 3.26Å; D221-A225 PolarHBondContact O-N 2.71Å; A225-M229 PolarHBondContact O-N 3.47Å
226L59.4Low62Low70 Ų7080.2 Ų80.237%0.36641%0.406SS..Hα-helixtrans-69.7-42.8177.2-170.7158.4000111.4C222 V223 A224 M229 F230 V240C222-L226 WeakPolarHBondContact O-CB 3.31Å; C222-L226 PolarHBondContact O-N 3.1Å; V223-L226 PolarHBondContact O-N 3.13Å; A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 3.35Å; L226-M229 WeakPolarHBondContact O-CB 3.33Å; L226-M229 PolarHBondContact O-N 3.4Å; L226-F230 HydrophobicContact CD2-CD2 4.36Å; L226-F230 HydrophobicContact CD2-CE2 3.93Å; L226-F230 WeakPolarHBondContact O-CD2 3.27Å; L226-V240 HydrophobicContact CD2-CG1 3.36Å
227L61.9Low62.7Low16 Ų1682.4 Ų82.48%0.08441%0.411CS..Hα-helixtrans-68.9-37.9175.8-69.5173.7000111.7V223 A224 M229 F230 R237 V240 E241V223-L227 HydrophobicContact CG1-CD1 3.85Å; V223-L227 HydrophobicContact CG1-CG 4.37Å; V223-L227 WeakPolarHBondContact O-CB 3.48Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 3.29Å; A224-L227 PolarHBondContact O-N 3.02Å; L227-M229 VanDerWaalsContact C-N 3.29Å; L227-M229 PolarHBondContact O-N 3.23Å; L227-F230 CarbonylContact O-C 3.46Å; L227-F230 WeakPolarHBondContact O-CA 3.39Å; L227-F230 PolarHBondContact O-N 2.93Å; L227-R237 HydrophobicContact CB-CG 4.3Å; L227-R237 HydrophobicContact CD2-CG 4.07Å; L227-V240 HydrophobicContact CD2-CB 4.24Å; L227-V240 HydrophobicContact CD2-CG1 3.92Å; L227-E241 HydrophobicContact CD2-CB 3.93Å
228D64Low63.5Low87 Ų8783.4 Ų83.447%0.46543%0.425SS..Hα-helixtrans-66.5-30.6174.6-75.3-16.5000111.7A224 F230 W231A224-D228 VanDerWaalsContact O-CB 3.27Å; A224-D228 WeakPolarHBondContact O-CB 3.38Å; A224-D228 VanDerWaalsContact O-CG 3.24Å; A224-D228 PolarHBondContact O-N 3Å; D228-F230 PolarHBondContact O-N 3.46Å; D228-F230 VanDerWaalsContact O-N 3.08Å; D228-W231 VanDerWaalsContact O-CB 3.22Å; D228-W231 WeakPolarHBondContact O-CB 3.39Å; D228-W231 PolarHBondContact O-N 3.27Å
229M63.1Low64.2Low114 Ų11480.9 Ų80.956%0.56242%0.422SS*.THydrogen-bonded Turntrans-57.6-24.2170.2-171.1174.760.300112.1A225 L226 L227 F232A225-M229 PolarHBondContact O-N 3.47Å; L226-M229 WeakPolarHBondContact O-CB 3.33Å; L226-M229 PolarHBondContact O-N 3.4Å; L227-M229 VanDerWaalsContact C-N 3.29Å; L227-M229 PolarHBondContact O-N 3.23Å; M229-F232 VanDerWaalsContact O-CE1 3.22Å; M229-F232 WeakPolarHBondContact O-CE1 3.31Å
230F64.3Low64.7Low45 Ų4577.4 Ų77.420%0.19740%0.404CS..THydrogen-bonded Turntrans-103.419.3176.3-58.7-68.5000113.5L226 L227 D228 F232 F233 L236 R237 V240L226-F230 HydrophobicContact CD2-CD2 4.36Å; L226-F230 HydrophobicContact CD2-CE2 3.93Å; L226-F230 WeakPolarHBondContact O-CD2 3.27Å; L227-F230 CarbonylContact O-C 3.46Å; L227-F230 WeakPolarHBondContact O-CA 3.39Å; L227-F230 PolarHBondContact O-N 2.93Å; D228-F230 PolarHBondContact O-N 3.46Å; D228-F230 VanDerWaalsContact O-N 3.08Å; F230-F232 PolarHBondContact O-N 3.31Å; F230-F233 CarbonylContact O-C 3.55Å; F230-F233 PolarHBondContact O-N 3.5Å; F230-L236 HydrophobicContact CD1-CD2 3.38Å; F230-L236 HydrophobicContact CD1-CG 3.83Å; F230-L236 HydrophobicContact CE1-CD2 3.54Å; F230-L236 HydrophobicContact CE1-CG 4.13Å; F230-L236 HydrophobicContact CG-CD2 4.26Å; F230-L236 HydrophobicContact CG-CG 4.25Å; F230-R237 HydrophobicContact CB-CB 4.14Å; F230-V240 HydrophobicContact CD2-CG2 4.22Å; F230-V240 HydrophobicContact CE2-CG2 4.03Å
231W59.8Low65.4Low191 Ų19178.6 Ų78.672%0.72340%0.403SS*.THydrogen-bonded Turntrans-53.8-31.6-178.675.8-85.3000113.7D228D228-W231 VanDerWaalsContact O-CB 3.22Å; D228-W231 WeakPolarHBondContact O-CB 3.39Å; D228-W231 PolarHBondContact O-N 3.27Å
232F71.2Confident66.2Low114 Ų11479.7 Ų79.750%0.540%0.402SS..THydrogen-bonded Turntrans-85.2-8.5-178.965.7-81.5000114.2M229 F230M229-F232 VanDerWaalsContact O-CE1 3.22Å; M229-F232 WeakPolarHBondContact O-CE1 3.31Å; F230-F232 PolarHBondContact O-N 3.31Å
233F77.5Confident66.7Low94 Ų9483.6 Ų83.641%0.41241%0.413SS..  trans-125.687.1174.3-73.5-57000111.2F230 W235 L236 R237F230-F233 CarbonylContact O-C 3.55Å; F230-F233 PolarHBondContact O-N 3.5Å; F233-W235 VanDerWaalsContact C-N 3.3Å; F233-W235 PolarHBondContact O-N 2.84Å; F233-L236 HydrophobicContact CB-CB 3.84Å; F233-L236 HydrophobicContact CB-CD2 4.49Å; F233-L236 PolarHBondContact O-N 2.84Å; F233-R237 PolarHBondContact O-N 3.36Å
234P73.6Confident66.9Low89 Ų8985.2 Ų85.258%0.57842%0.419SS*.Hα-helixtrans-57.7-36.9-173.9-26.734.4000114.6S238P234-S238 PolarHBondContact O-N 3.39Å; P234-S238 VanDerWaalsContact O-N 3.11Å; P234-S238 PolarHBondContact O-OG 2.89Å
235W78.9Confident66.9Low178 Ų17885.4 Ų85.467%0.67441%0.414SS*.Hα-helixtrans-69.2-34.1178.572.3-91000112.3F233 A239F233-W235 VanDerWaalsContact C-N 3.3Å; F233-W235 PolarHBondContact O-N 2.84Å; W235-A239 WeakPolarHBondContact O-CB 3.44Å; W235-A239 PolarHBondContact O-N 3.48Å
236L64.7Low67Low45 Ų4585.3 Ų85.324%0.23641%0.405CS..Hα-helixtrans-76-41.3-179.9-174.758.6000110.9F230 F233 S238 A239 V240F230-L236 HydrophobicContact CD1-CD2 3.38Å; F230-L236 HydrophobicContact CD1-CG 3.83Å; F230-L236 HydrophobicContact CE1-CD2 3.54Å; F230-L236 HydrophobicContact CE1-CG 4.13Å; F230-L236 HydrophobicContact CG-CD2 4.26Å; F230-L236 HydrophobicContact CG-CG 4.25Å; F233-L236 HydrophobicContact CB-CB 3.84Å; F233-L236 HydrophobicContact CB-CD2 4.49Å; F233-L236 PolarHBondContact O-N 2.84Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 3.36Å; L236-A239 PolarHBondContact O-N 2.96Å; L236-V240 HydrophobicContact CD1-CG2 4.4Å; L236-V240 WeakPolarHBondContact O-CB 3.37Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.48Å; L236-V240 PolarHBondContact O-N 3.37Å
237R69.4Low66.9Low99 Ų9985.9 Ų85.937%0.37441%0.413SS..Hα-helixtrans-52.8-49.4169.3178.8-179.5170.8156.53.3110.9L227 F230 F233 A239 V240 E241L227-R237 HydrophobicContact CB-CG 4.3Å; L227-R237 HydrophobicContact CD2-CG 4.07Å; F230-R237 HydrophobicContact CB-CB 4.14Å; F233-R237 PolarHBondContact O-N 3.36Å; R237-A239 PolarHBondContact O-N 2.77Å; R237-V240 PolarHBondContact O-N 2.93Å; R237-E241 WeakPolarHBondContact O-CB 3.23Å; R237-E241 PolarHBondContact O-N 3.31Å
238S69.8Low66.6Low70 Ų7090.1 Ų90.149%0.4943%0.428SS..Hα-helixtrans-62.9-39.7179.5-55.60000112.6P234 L236 Y242P234-S238 PolarHBondContact O-N 3.39Å; P234-S238 VanDerWaalsContact O-N 3.11Å; P234-S238 PolarHBondContact O-OG 2.89Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 3.36Å; S238-Y242 WeakPolarHBondContact O-CB 3.28Å; S238-Y242 PolarHBondContact O-N 3.32Å
239A69.2Low66.4Low32 Ų3291.9 Ų91.926%0.26443%0.429SS..Hα-helixtrans-66.4-46176.600000111.8W235 L236 R237 Y242 F243W235-A239 WeakPolarHBondContact O-CB 3.44Å; W235-A239 PolarHBondContact O-N 3.48Å; L236-A239 PolarHBondContact O-N 2.96Å; R237-A239 PolarHBondContact O-N 2.77Å; A239-Y242 WeakPolarHBondContact O-CB 3.23Å; A239-Y242 PolarHBondContact O-N 3.11Å; A239-F243 WeakPolarHBondContact O-CD2 3.39Å; A239-F243 PolarHBondContact O-N 3.49Å
240V66.3Low66.3Low28 Ų2890.5 Ų90.517%0.1742%0.423CS..Hα-helixtrans-62.1-45.2178170.60000110.9L226 L227 F230 L236 R237 Y242 F243 L244L226-V240 HydrophobicContact CD2-CG1 3.36Å; L227-V240 HydrophobicContact CD2-CB 4.24Å; L227-V240 HydrophobicContact CD2-CG1 3.92Å; F230-V240 HydrophobicContact CD2-CG2 4.22Å; F230-V240 HydrophobicContact CE2-CG2 4.03Å; L236-V240 HydrophobicContact CD1-CG2 4.4Å; L236-V240 WeakPolarHBondContact O-CB 3.37Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.48Å; L236-V240 PolarHBondContact O-N 3.37Å; R237-V240 PolarHBondContact O-N 2.93Å; V240-Y242 PolarHBondContact O-N 3.03Å; V240-F243 PolarHBondContact O-N 3.46Å; V240-L244 HydrophobicContact CG1-CD1 3.96Å; V240-L244 HydrophobicContact CG1-CG 4.45Å; V240-L244 WeakPolarHBondContact O-CG 3.27Å; V240-L244 PolarHBondContact O-N 2.94Å
241E70.2Confident65.8Low84 Ų8493.6 Ų93.639%0.39344%0.441SS..Hα-helixtrans-57.8-46.8174-173.3177.5172.800111.4L227 R237 F243 L244 L245L227-E241 HydrophobicContact CD2-CB 3.93Å; R237-E241 WeakPolarHBondContact O-CB 3.23Å; R237-E241 PolarHBondContact O-N 3.31Å; E241-F243 VanDerWaalsContact C-N 3.33Å; E241-F243 PolarHBondContact O-N 3.16Å; E241-L244 PolarHBondContact O-N 2.97Å; E241-L245 HydrophobicContact CG-CD1 3.88Å; E241-L245 HydrophobicContact CG-CG 4.48Å; E241-L245 WeakPolarHBondContact O-CB 3.45Å; E241-L245 WeakPolarHBondContact O-CG 3.29Å; E241-L245 PolarHBondContact O-N 2.84Å
242Y71.8Confident65.6Low111 Ų11185.2 Ų85.244%0.43541%0.414SS..Hα-helixtrans-56.3-45175.8176.5-87000112.7S238 A239 V240 L245 L246S238-Y242 WeakPolarHBondContact O-CB 3.28Å; S238-Y242 PolarHBondContact O-N 3.32Å; A239-Y242 WeakPolarHBondContact O-CB 3.23Å; A239-Y242 PolarHBondContact O-N 3.11Å; V240-Y242 PolarHBondContact O-N 3.03Å; Y242-L245 PolarHBondContact O-N 2.87Å; Y242-L246 HydrophobicContact CD1-CD1 4.43Å; Y242-L246 HydrophobicContact CE1-CD1 3.64Å; Y242-L246 PolarHBondContact O-N 3.27Å
243F68.3Low65.1Low138 Ų13883.9 Ų83.961%0.60542%0.424SS*.Hα-helixtrans-69.6-37.8179-76.8-66.6000112.7A239 V240 E241 L245 L246A239-F243 WeakPolarHBondContact O-CD2 3.39Å; A239-F243 PolarHBondContact O-N 3.49Å; V240-F243 PolarHBondContact O-N 3.46Å; E241-F243 VanDerWaalsContact C-N 3.33Å; E241-F243 PolarHBondContact O-N 3.16Å; F243-L245 VanDerWaalsContact C-N 3.25Å; F243-L245 PolarHBondContact O-N 2.99Å; F243-L246 WeakPolarHBondContact O-CB 3.37Å; F243-L246 PolarHBondContact O-N 2.85Å
244L61.5Low63.8Low83 Ų8388 Ų8844%0.43544%0.442SS..Hα-helixtrans-63-34173.6-73.2170000111.8V223 V240 E241 P247V223-L244 HydrophobicContact CG1-CD1 4.12Å; V240-L244 HydrophobicContact CG1-CD1 3.96Å; V240-L244 HydrophobicContact CG1-CG 4.45Å; V240-L244 WeakPolarHBondContact O-CG 3.27Å; V240-L244 PolarHBondContact O-N 2.94Å; E241-L244 PolarHBondContact O-N 2.97Å; L244-P247 WeakPolarHBondContact O-CD 3.36Å
245L60Low62.7Low44 Ų4487.7 Ų87.723%0.2344%0.438CS..Hα-helixtrans-83-13.7178.6-66.9172.1000113.8E241 Y242 F243 Y248 R249E241-L245 HydrophobicContact CG-CD1 3.88Å; E241-L245 HydrophobicContact CG-CG 4.48Å; E241-L245 WeakPolarHBondContact O-CB 3.45Å; E241-L245 WeakPolarHBondContact O-CG 3.29Å; E241-L245 PolarHBondContact O-N 2.84Å; Y242-L245 PolarHBondContact O-N 2.87Å; F243-L245 VanDerWaalsContact C-N 3.25Å; F243-L245 PolarHBondContact O-N 2.99Å; L245-Y248 PolarHBondContact O-N 3.13Å; L245-R249 WeakPolarHBondContact O-CG 3.03Å; L245-R249 PolarHBondContact O-N 2.61Å
246L61.1Low61.3Low59 Ų5982.4 Ų82.431%0.30944%0.439SS..Hα-helixtrans-57.7-45-176.7-160.796.8000113.1Y242 F243 Y248 R249 I250Y242-L246 HydrophobicContact CD1-CD1 4.43Å; Y242-L246 HydrophobicContact CE1-CD1 3.64Å; Y242-L246 PolarHBondContact O-N 3.27Å; F243-L246 WeakPolarHBondContact O-CB 3.37Å; F243-L246 PolarHBondContact O-N 2.85Å; L246-Y248 PolarHBondContact O-N 3.11Å; L246-R249 PolarHBondContact O-N 3.16Å; L246-I250 HydrophobicContact CD2-CD1 3.73Å; L246-I250 HydrophobicContact CG-CD1 3.85Å; L246-I250 HydrophobicContact CG-CG1 4.46Å; L246-I250 WeakPolarHBondContact O-CB 3.4Å; L246-I250 WeakPolarHBondContact O-CD1 3.23Å; L246-I250 WeakPolarHBondContact O-CG1 3.29Å; L246-I250 PolarHBondContact O-N 2.87Å
247P57.6Low60.8Low82 Ų8289.4 Ų89.453%0.53246%0.463SS..Hα-helixtrans-63.1-39.5178.6-2134000112.8L244 I250 L251L244-P247 WeakPolarHBondContact O-CD 3.36Å; P247-I250 PolarHBondContact O-N 3.31Å; P247-L251 VanDerWaalsContact O-CB 3.29Å; P247-L251 WeakPolarHBondContact O-CB 3.31Å; P247-L251 PolarHBondContact O-N 3.19Å
248Y55.6Low59.6Low105 Ų10587.2 Ų87.241%0.41247%0.471SS..Hα-helixtrans-65.4-42.2175.8177-100.3000111.5L245 L246 L251 G252L245-Y248 PolarHBondContact O-N 3.13Å; L246-Y248 PolarHBondContact O-N 3.11Å; Y248-L251 PolarHBondContact O-N 3.04Å; Y248-G252 PolarHBondContact O-N 3.33Å
249R60.4Low58.6Low124 Ų12489.8 Ų89.847%0.46849%0.486SS..Hα-helixtrans-63.3-42.4175.4-70.4174179.6-164.70.2112.2L245 L246 G252 A253L245-R249 WeakPolarHBondContact O-CG 3.03Å; L245-R249 PolarHBondContact O-N 2.61Å; L246-R249 PolarHBondContact O-N 3.16Å; R249-G252 PolarHBondContact O-N 3.03Å; R249-A253 WeakPolarHBondContact O-CB 3.37Å; R249-A253 PolarHBondContact O-N 3.19Å
250I62.2Low57.8Low86 Ų8690.5 Ų90.544%0.44149%0.489SS..Hα-helixtrans-64.5-43.6175.8-68.4165.1000110.2L246 P247 A253 F254L246-I250 HydrophobicContact CD2-CD1 3.73Å; L246-I250 HydrophobicContact CG-CD1 3.85Å; L246-I250 HydrophobicContact CG-CG1 4.46Å; L246-I250 WeakPolarHBondContact O-CB 3.4Å; L246-I250 WeakPolarHBondContact O-CD1 3.23Å; L246-I250 WeakPolarHBondContact O-CG1 3.29Å; L246-I250 PolarHBondContact O-N 2.87Å; P247-I250 PolarHBondContact O-N 3.31Å; I250-A253 PolarHBondContact O-N 3.44Å; I250-F254 HydrophobicContact CG2-CD2 4.05Å; I250-F254 HydrophobicContact CG2-CE2 4.36Å; I250-F254 PolarHBondContact O-N 2.87Å
251L53.1Low57.1Low109 Ų10995.7 Ų95.757%0.57151%0.512SS*.Hα-helixtrans-63.9-42.6177.7-166.580000111.9P247 Y248 F254 T255P247-L251 VanDerWaalsContact O-CB 3.29Å; P247-L251 WeakPolarHBondContact O-CB 3.31Å; P247-L251 PolarHBondContact O-N 3.19Å; Y248-L251 PolarHBondContact O-N 3.04Å; L251-F254 PolarHBondContact O-N 3.4Å; L251-T255 HydrophobicContact CG-CG2 4.48Å; L251-T255 WeakPolarHBondContact O-CB 3.39Å; L251-T255 WeakPolarHBondContact O-CG2 3.41Å; L251-T255 PolarHBondContact O-N 3.12Å; L251-T255 PolarHBondContact O-OG1 3.19Å
252G55.2Low56.3Low16 Ų1697.9 Ų97.917%0.16552%0.522CS..Hα-helixtrans-64.1-40.7174.800000112.3Y248 R249 F254 T255 G256Y248-G252 PolarHBondContact O-N 3.33Å; R249-G252 PolarHBondContact O-N 3.03Å; G252-F254 VanDerWaalsContact C-N 3.31Å; G252-F254 PolarHBondContact O-N 3.34Å; G252-T255 PolarHBondContact O-N 2.85Å; G252-G256 PolarHBondContact O-N 3.13Å
253A61.5Low55.2Low86 Ų8694.5 Ų94.571%0.71152%0.515SS*.Hα-helixtrans-63.6-34.5174.600000113R249 I250R249-A253 WeakPolarHBondContact O-CB 3.37Å; R249-A253 PolarHBondContact O-N 3.19Å; I250-A253 PolarHBondContact O-N 3.44Å
254F50.3Low54.4Low180 Ų18092.4 Ų92.479%0.78950%0.503SS*.Hα-helixtrans-80.2-33.7178.9-101.2-83.2000114.2I250 L251 G252I250-F254 HydrophobicContact CG2-CD2 4.05Å; I250-F254 HydrophobicContact CG2-CE2 4.36Å; I250-F254 PolarHBondContact O-N 2.87Å; L251-F254 PolarHBondContact O-N 3.4Å; G252-F254 VanDerWaalsContact C-N 3.31Å; G252-F254 PolarHBondContact O-N 3.34Å
255T50.4Low53.9Low82 Ų8295.7 Ų95.750%0.50351%0.509SS..Hα-helixtrans-93.8-4.2-173.3550000113.8L251 G252 W257L251-T255 HydrophobicContact CG-CG2 4.48Å; L251-T255 WeakPolarHBondContact O-CB 3.39Å; L251-T255 WeakPolarHBondContact O-CG2 3.41Å; L251-T255 PolarHBondContact O-N 3.12Å; L251-T255 PolarHBondContact O-OG1 3.19Å; G252-T255 PolarHBondContact O-N 2.85Å; T255-W257 PolarHBondContact O-N 2.91Å; T255-W257 VanDerWaalsContact O-N 3.14Å
256G49.6Very low53.6Low67 Ų6799.3 Ų99.369%0.69152%0.523SS*.  trans70.62.3-179.500000114.2G252 G258G252-G256 PolarHBondContact O-N 3.13Å; G256-G258 PolarHBondContact O-N 3.44Å
257W53.9Low53.2Low192 Ų19298.8 Ų98.873%0.72752%0.523SS*.  trans-67.597.7163.2-87.966.8000107.3T255T255-W257 PolarHBondContact O-N 2.91Å; T255-W257 VanDerWaalsContact O-N 3.14Å
258G44.4Very low52.9Low54 Ų5498.2 Ų98.256%0.55752%0.515SS*.  trans-50.1144179.400000111.2G256 S260G256-G258 PolarHBondContact O-N 3.44Å; G258-S260 PolarHBondContact O-N 3.22Å
259P47.6Very low53Low124 Ų12498.9 Ų98.981%0.80552%0.522SS*.  trans-75.179.8-179.432.5-32.5000108.4E261P259-E261 PolarHBondContact O-N 3.21Å
260S53.5Low52.9Low47 Ų4798.1 Ų98.133%0.32953%0.526SS..  trans-84.8110.6163.979.70000107.8G258 E262 S263G258-S260 PolarHBondContact O-N 3.22Å; S260-E262 PolarHBondContact O-N 3.29Å; S260-S263 PolarHBondContact O-N 2.9Å; S260-S263 WeakPolarHBondContact OG-CB 3.41Å; S260-S263 PolarHBondContact OG-N 3.13Å; S260-S263 VanDerWaalsContact OG-N 3.1Å; S260-S263 PolarHBondContact OG-OG 2.64Å
261E51.6Low52.3Low136 Ų13695.3 Ų95.364%0.63651%0.511SS*.Hα-helixtrans-44.6-27.6162.3-157.4-176.6143.600110.8P259 R265P259-E261 PolarHBondContact O-N 3.21Å; E261-R265 VanDerWaalsContact O-CB 3.23Å; E261-R265 WeakPolarHBondContact O-CB 3.48Å; E261-R265 WeakPolarHBondContact O-CG 2.98Å; E261-R265 PolarHBondContact O-N 3.43Å; E261-R265 IonicContact OE1-CZ 2.61Å; E261-R265 IonicContact OE1-NE 3.25Å; E261-R265 PolarHBondContact OE1-NE 2.79Å; E261-R265 IonicContact OE1-NH2 2.75Å; E261-R265 PolarHBondContact OE1-NH2 2.84Å
262E52.8Low52.2Low130 Ų13095.1 Ų95.161%0.60751%0.51SS*.Hα-helixtrans-66.4-34.7173.7-145.2162.3-156.700115.3S260 K266S260-E262 PolarHBondContact O-N 3.29Å; E262-K266 WeakPolarHBondContact O-CB 3.33Å; E262-K266 VanDerWaalsContact O-CG 3.24Å; E262-K266 WeakPolarHBondContact O-CG 3.44Å; E262-K266 PolarHBondContact O-N 3.44Å
263S48.4Very low52.6Low41 Ų4197.6 Ų97.629%0.28752%0.522SS..Hα-helixtrans-71.1-40.5176.5-63.50000111.2S260 K266 V267S260-S263 PolarHBondContact O-N 2.9Å; S260-S263 WeakPolarHBondContact OG-CB 3.41Å; S260-S263 PolarHBondContact OG-N 3.13Å; S260-S263 VanDerWaalsContact OG-N 3.1Å; S260-S263 PolarHBondContact OG-OG 2.64Å; S263-K266 WeakPolarHBondContact O-CB 3.39Å; S263-K266 PolarHBondContact O-N 3.14Å; S263-V267 WeakPolarHBondContact O-CG2 3.35Å; S263-V267 PolarHBondContact O-N 3.41Å
264W51.2Low52.5Low94 Ų9496.4 Ų96.436%0.35650%0.502SS..Hα-helixtrans-77.8-31.8174.3-160.4-122.8000112.1K266 V267 L268W264-K266 VanDerWaalsContact C-N 3.26Å; W264-K266 PolarHBondContact O-N 2.79Å; W264-V267 HydrophobicContact CD2-CB 4.22Å; W264-V267 HydrophobicContact CE3-CB 3.49Å; W264-V267 VanDerWaalsContact CE3-CB 3.49Å; W264-V267 HydrophobicContact CE3-CG1 3.74Å; W264-V267 HydrophobicContact CE3-CG2 3.79Å; W264-V267 HydrophobicContact CH2-CB 4.36Å; W264-V267 HydrophobicContact CH2-CG1 3.67Å; W264-V267 HydrophobicContact CZ2-CG1 4.45Å; W264-V267 HydrophobicContact CZ3-CB 3.59Å; W264-V267 HydrophobicContact CZ3-CG1 3.27Å; W264-V267 HydrophobicContact CZ3-CG2 3.87Å; W264-V267 CarbonylContact O-C 3.6Å; W264-V267 PolarHBondContact O-N 3.42Å; W264-L268 HydrophobicContact CG-CD1 4.47Å; W264-L268 VanDerWaalsContact O-CB 3.27Å; W264-L268 WeakPolarHBondContact O-CB 3.35Å; W264-L268 VanDerWaalsContact O-CG 3.28Å; W264-L268 WeakPolarHBondContact O-CG 3.42Å; W264-L268 PolarHBondContact O-N 3.15Å
265R51Low53Low151 Ų15193.3 Ų93.357%0.5749%0.485SS*.Hα-helixtrans-60.1-37.9166.1-80.5169.9-176.6-97.10.8111.1E261 L268 E269E261-R265 VanDerWaalsContact O-CB 3.23Å; E261-R265 WeakPolarHBondContact O-CB 3.48Å; E261-R265 WeakPolarHBondContact O-CG 2.98Å; E261-R265 PolarHBondContact O-N 3.43Å; E261-R265 IonicContact OE1-CZ 2.61Å; E261-R265 IonicContact OE1-NE 3.25Å; E261-R265 PolarHBondContact OE1-NE 2.79Å; E261-R265 IonicContact OE1-NH2 2.75Å; E261-R265 PolarHBondContact OE1-NH2 2.84Å; R265-L268 CarbonylContact O-C 3.52Å; R265-E269 WeakPolarHBondContact O-CA 3.04Å; R265-E269 WeakPolarHBondContact O-CB 3.01Å; R265-E269 PolarHBondContact O-N 3.34Å
266K54Low53.7Low120 Ų12091.1 Ų91.152%0.52247%0.473SS..Hα-helixtrans-67.4-40.6172.6-79.8173.2-177.4177.20112.2E262 S263 W264 E269 I270E262-K266 WeakPolarHBondContact O-CB 3.33Å; E262-K266 VanDerWaalsContact O-CG 3.24Å; E262-K266 WeakPolarHBondContact O-CG 3.44Å; E262-K266 PolarHBondContact O-N 3.44Å; S263-K266 WeakPolarHBondContact O-CB 3.39Å; S263-K266 PolarHBondContact O-N 3.14Å; W264-K266 VanDerWaalsContact C-N 3.26Å; W264-K266 PolarHBondContact O-N 2.79Å; K266-E269 PolarHBondContact O-N 3.1Å; K266-I270 VanDerWaalsContact O-CB 3.26Å; K266-I270 WeakPolarHBondContact O-CB 3.15Å; K266-I270 VanDerWaalsContact O-CD1 3.31Å; K266-I270 WeakPolarHBondContact O-CD1 3.25Å; K266-I270 WeakPolarHBondContact O-CG1 3.29Å; K266-I270 PolarHBondContact O-N 3.38Å
267V53.9Low54.9Low49 Ų4992.8 Ų92.830%0.29746%0.463SS..Hα-helixtrans-66.2-45.9174.11750000110.8S263 W264 E269 I270 L271S263-V267 WeakPolarHBondContact O-CG2 3.35Å; S263-V267 PolarHBondContact O-N 3.41Å; W264-V267 HydrophobicContact CD2-CB 4.22Å; W264-V267 HydrophobicContact CE3-CB 3.49Å; W264-V267 VanDerWaalsContact CE3-CB 3.49Å; W264-V267 HydrophobicContact CE3-CG1 3.74Å; W264-V267 HydrophobicContact CE3-CG2 3.79Å; W264-V267 HydrophobicContact CH2-CB 4.36Å; W264-V267 HydrophobicContact CH2-CG1 3.67Å; W264-V267 HydrophobicContact CZ2-CG1 4.45Å; W264-V267 HydrophobicContact CZ3-CB 3.59Å; W264-V267 HydrophobicContact CZ3-CG1 3.27Å; W264-V267 HydrophobicContact CZ3-CG2 3.87Å; W264-V267 CarbonylContact O-C 3.6Å; W264-V267 PolarHBondContact O-N 3.42Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.17Å; V267-I270 PolarHBondContact O-N 3.49Å; V267-L271 HydrophobicContact CG1-CD1 3.71Å; V267-L271 HydrophobicContact CG1-CG 4.19Å; V267-L271 WeakPolarHBondContact O-CB 3.5Å; V267-L271 WeakPolarHBondContact O-CD1 3.45Å; V267-L271 WeakPolarHBondContact O-CG 3.32Å; V267-L271 PolarHBondContact O-N 3.46Å
268L50.2Low55.6Low70 Ų7088.2 Ų88.237%0.36645%0.445SS..Hα-helixtrans-62.4-39.1174.4-72.9171.8000111.6W264 R265 L271 L272W264-L268 HydrophobicContact CG-CD1 4.47Å; W264-L268 VanDerWaalsContact O-CB 3.27Å; W264-L268 WeakPolarHBondContact O-CB 3.35Å; W264-L268 VanDerWaalsContact O-CG 3.28Å; W264-L268 WeakPolarHBondContact O-CG 3.42Å; W264-L268 PolarHBondContact O-N 3.15Å; R265-L268 CarbonylContact O-C 3.52Å; L268-L271 PolarHBondContact O-N 3.26Å; L268-L272 WeakPolarHBondContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CD1 3.42Å; L268-L272 WeakPolarHBondContact O-CG 3.15Å; L268-L272 PolarHBondContact O-N 3.25Å
269E57.8Low57.2Low119 Ų11988.3 Ų88.356%0.55643%0.431SS*.Hα-helixtrans-67.9-42.3176.1-179.5178.9-164.600110.2R265 K266 V267 L272 T273R265-E269 WeakPolarHBondContact O-CA 3.04Å; R265-E269 WeakPolarHBondContact O-CB 3.01Å; R265-E269 PolarHBondContact O-N 3.34Å; K266-E269 PolarHBondContact O-N 3.1Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.17Å; E269-L272 PolarHBondContact O-N 3.34Å; E269-T273 WeakPolarHBondContact O-CA 3.35Å; E269-T273 WeakPolarHBondContact O-CB 3.4Å; E269-T273 PolarHBondContact O-N 3.4Å; E269-T273 PolarHBondContact O-OG1 2.95Å
270I57.8Low58.5Low108 Ų10888.5 Ų88.555%0.55442%0.416SS*.Hα-helixtrans-61.5-46.7172.6-71162.3000109.6K266 V267 T273 E274K266-I270 VanDerWaalsContact O-CB 3.26Å; K266-I270 WeakPolarHBondContact O-CB 3.15Å; K266-I270 VanDerWaalsContact O-CD1 3.31Å; K266-I270 WeakPolarHBondContact O-CD1 3.25Å; K266-I270 WeakPolarHBondContact O-CG1 3.29Å; K266-I270 PolarHBondContact O-N 3.38Å; V267-I270 PolarHBondContact O-N 3.49Å; I270-T273 PolarHBondContact O-N 2.9Å; I270-E274 WeakPolarHBondContact O-CB 3.5Å; I270-E274 PolarHBondContact O-N 2.96Å
271L49.9Very low59.9Low26 Ų2691.1 Ų91.114%0.13642%0.423CS..Hα-helixtrans-64.1-41.5178.4-69.5168000112.5L216 V267 L268 R275L216-L271 HydrophobicContact CB-CD2 4.26Å; L216-L271 HydrophobicContact CD2-CD1 3.85Å; L216-L271 HydrophobicContact CD2-CD2 4.15Å; V267-L271 HydrophobicContact CG1-CD1 3.71Å; V267-L271 HydrophobicContact CG1-CG 4.19Å; V267-L271 WeakPolarHBondContact O-CB 3.5Å; V267-L271 WeakPolarHBondContact O-CD1 3.45Å; V267-L271 WeakPolarHBondContact O-CG 3.32Å; V267-L271 PolarHBondContact O-N 3.46Å; L268-L271 PolarHBondContact O-N 3.26Å; L271-R275 WeakPolarHBondContact O-CB 3.37Å; L271-R275 PolarHBondContact O-N 2.98Å
272L52.3Low61.4Low105 Ų10584.9 Ų84.955%0.5540%0.395SS..Hα-helixtrans-75.7-35.4178.9-70.5169.7000111.7L268 E269 S276L268-L272 WeakPolarHBondContact O-CB 3.29Å; L268-L272 WeakPolarHBondContact O-CD1 3.42Å; L268-L272 WeakPolarHBondContact O-CG 3.15Å; L268-L272 PolarHBondContact O-N 3.25Å; E269-L272 PolarHBondContact O-N 3.34Å; L272-S276 WeakPolarHBondContact O-CB 3.44Å; L272-S276 PolarHBondContact O-N 3.43Å
273T62.6Low63Low68 Ų6879.6 Ų79.642%0.41737%0.37SS..Hα-helixtrans-69.8-44176.3-59.20000110E269 I270 S276 Q277E269-T273 WeakPolarHBondContact O-CA 3.35Å; E269-T273 WeakPolarHBondContact O-CB 3.4Å; E269-T273 PolarHBondContact O-N 3.4Å; E269-T273 PolarHBondContact O-OG1 2.95Å; I270-T273 PolarHBondContact O-N 2.9Å; T273-S276 CarbonylContact O-C 3.6Å; T273-S276 PolarHBondContact O-N 2.94Å; T273-S276 PolarHBondContact O-OG 3.16Å; T273-Q277 WeakPolarHBondContact O-CB 3.45Å; T273-Q277 PolarHBondContact O-N 2.93Å
274E58.8Low64.8Low62 Ų6284.5 Ų84.529%0.2939%0.389SS..Hα-helixtrans-63.8-41.3175.2-164-175.514900111.1Y217 I270 Q277 R278Y217-E274 PolarHBondContact OH-OE1 2.83Å; I270-E274 WeakPolarHBondContact O-CB 3.5Å; I270-E274 PolarHBondContact O-N 2.96Å; E274-Q277 PolarHBondContact O-N 3.31Å; E274-R278 PolarHBondContact O-N 2.91Å; E274-R278 IonicContact OE1-NE 3.8Å; E274-R278 IonicContact OE1-NH2 3.37Å; E274-R278 PolarHBondContact OE1-NH2 2.96Å
275R60.6Low66.5Low115 Ų11582.3 Ų82.343%0.43438%0.383SS..Hα-helixtrans-58.6-48.4170.1179.6-178.8169.4-178.5-0.4111.7L271 Q277 R278 E279L271-R275 WeakPolarHBondContact O-CB 3.37Å; L271-R275 PolarHBondContact O-N 2.98Å; R275-Q277 PolarHBondContact O-N 3.41Å; R275-R278 PolarHBondContact O-N 3.34Å; R275-E279 IonicContact CZ-OE1 3.71Å; R275-E279 IonicContact NE-OE1 3.79Å; R275-E279 PolarHBondContact NE-OE1 3.45Å; R275-E279 IonicContact NH2-OE1 3.72Å; R275-E279 PolarHBondContact NH2-OE1 2.79Å; R275-E279 WeakPolarHBondContact O-CG 3.31Å; R275-E279 PolarHBondContact O-N 3.46Å
276S66.4Low68.3Low35 Ų3575.1 Ų75.125%0.24536%0.356CS..Hα-helixtrans-61.8-30.6178.290.80000112L272 T273 R280L272-S276 WeakPolarHBondContact O-CB 3.44Å; L272-S276 PolarHBondContact O-N 3.43Å; T273-S276 CarbonylContact O-C 3.6Å; T273-S276 PolarHBondContact O-N 2.94Å; T273-S276 PolarHBondContact O-OG 3.16Å; S276-R280 WeakPolarHBondContact O-CD 3.44Å; S276-R280 WeakPolarHBondContact O-CG 3.25Å; S276-R280 PolarHBondContact O-N 3.31Å; S276-R280 VanDerWaalsContact O-N 3.1Å
277Q73.9Confident69.8Low102 Ų10274.2 Ų74.248%0.47737%0.365SS..Hα-helixtrans-75.8-43.1179.6-172.1154.2-18.200111.2T273 E274 R275 E279 R280 E281T273-Q277 WeakPolarHBondContact O-CB 3.45Å; T273-Q277 PolarHBondContact O-N 2.93Å; E274-Q277 PolarHBondContact O-N 3.31Å; R275-Q277 PolarHBondContact O-N 3.41Å; Q277-E279 PolarHBondContact O-N 2.85Å; Q277-R280 WeakPolarHBondContact O-CB 3.42Å; Q277-R280 PolarHBondContact O-N 3.47Å; Q277-R280 VanDerWaalsContact O-N 3.16Å; Q277-E281 WeakPolarHBondContact O-CG 3.24Å; Q277-E281 PolarHBondContact O-N 3.13Å
278R68.8Low71.4Confident96 Ų9672.8 Ų72.836%0.36236%0.356SS..Hα-helixtrans-63.8-37.9171.9-71.1-165.4-162.5-164.42.7113E274 R275 R280 E281 A282 T334E274-R278 PolarHBondContact O-N 2.91Å; E274-R278 IonicContact OE1-NE 3.8Å; E274-R278 IonicContact OE1-NH2 3.37Å; E274-R278 PolarHBondContact OE1-NH2 2.96Å; R275-R278 PolarHBondContact O-N 3.34Å; R278-R280 VanDerWaalsContact C-N 3.31Å; R278-R280 PolarHBondContact O-N 3.34Å; R278-E281 PolarHBondContact O-N 3.39Å; R278-A282 WeakPolarHBondContact O-CB 3.4Å; R278-A282 PolarHBondContact O-N 3.18Å; R278-T334 HydrophobicContact CB-CG2 4.48Å
279E77.2Confident73Confident57 Ų5774.1 Ų74.127%0.26636%0.364SS..Hα-helixtrans-61.6-41.9173.1-74.8174.2-174.700110.4R275 Q277 A282 L283R275-E279 IonicContact CZ-OE1 3.71Å; R275-E279 IonicContact NE-OE1 3.79Å; R275-E279 PolarHBondContact NE-OE1 3.45Å; R275-E279 IonicContact NH2-OE1 3.72Å; R275-E279 PolarHBondContact NH2-OE1 2.79Å; R275-E279 WeakPolarHBondContact O-CG 3.31Å; R275-E279 PolarHBondContact O-N 3.46Å; Q277-E279 PolarHBondContact O-N 2.85Å; E279-A282 PolarHBondContact O-N 3.39Å; E279-L283 WeakPolarHBondContact O-CB 3.32Å; E279-L283 WeakPolarHBondContact O-CD1 3.47Å; E279-L283 WeakPolarHBondContact O-CG 3.47Å; E279-L283 PolarHBondContact O-N 3.39Å
280R76.5Confident73.8Confident128 Ų12875.2 Ų75.248%0.48337%0.367SS..Hα-helixtrans-65-43.2174.8-71.9168-168.2-171.56.9112.9S276 Q277 R278 L283 Q284S276-R280 WeakPolarHBondContact O-CD 3.44Å; S276-R280 WeakPolarHBondContact O-CG 3.25Å; S276-R280 PolarHBondContact O-N 3.31Å; S276-R280 VanDerWaalsContact O-N 3.1Å; Q277-R280 WeakPolarHBondContact O-CB 3.42Å; Q277-R280 PolarHBondContact O-N 3.47Å; Q277-R280 VanDerWaalsContact O-N 3.16Å; R278-R280 VanDerWaalsContact C-N 3.31Å; R278-R280 PolarHBondContact O-N 3.34Å; R280-L283 PolarHBondContact O-N 3.07Å; R280-Q284 WeakPolarHBondContact O-CB 3.3Å; R280-Q284 VanDerWaalsContact O-CG 3.29Å; R280-Q284 WeakPolarHBondContact O-CG 3.32Å; R280-Q284 PolarHBondContact O-N 3.49Å
281E82Confident74.7Confident101 Ų10178.4 Ų78.447%0.47238%0.379SS..Hα-helixtrans-66.3-40.1177.9-73.3170.8-169.800111.3Q277 R278 Q284 M285Q277-E281 WeakPolarHBondContact O-CG 3.24Å; Q277-E281 PolarHBondContact O-N 3.13Å; R278-E281 PolarHBondContact O-N 3.39Å; E281-Q284 PolarHBondContact O-N 3.26Å; E281-M285 WeakPolarHBondContact O-CB 3.35Å; E281-M285 PolarHBondContact O-N 3.1Å
282A83.8Confident76Confident5 Ų577.3 Ų77.34%0.04137%0.374CS..Hα-helixtrans-65.8-40.717500000112.3R278 E279 M285 L286 A331 T334 L335R278-A282 WeakPolarHBondContact O-CB 3.4Å; R278-A282 PolarHBondContact O-N 3.18Å; E279-A282 PolarHBondContact O-N 3.39Å; A282-M285 PolarHBondContact O-N 3.36Å; A282-L286 PolarHBondContact O-N 3.14Å; A282-A331 HydrophobicContact CB-CB 3.82Å; A282-T334 HydrophobicContact CB-CG2 4.39Å; A282-L335 HydrophobicContact CB-CD1 4.25Å; A282-L335 HydrophobicContact CB-CD2 3.99Å; A282-L335 HydrophobicContact CB-CG 3.87Å
283L85.9Confident77.5Confident19 Ų1975.2 Ų75.210%0.09937%0.368CS..Hα-helixtrans-63.1-41.6173-71.9164.1000111.6E279 R280 L286 S287 V288 K290 L335E279-L283 WeakPolarHBondContact O-CB 3.32Å; E279-L283 WeakPolarHBondContact O-CD1 3.47Å; E279-L283 WeakPolarHBondContact O-CG 3.47Å; E279-L283 PolarHBondContact O-N 3.39Å; R280-L283 PolarHBondContact O-N 3.07Å; L283-L286 CarbonylContact O-C 3.56Å; L283-L286 PolarHBondContact O-N 3.04Å; L283-S287 PolarHBondContact O-N 3.11Å; L283-V288 HydrophobicContact CB-CG2 4.31Å; L283-V288 HydrophobicContact CD2-CG2 3.61Å; L283-V288 WeakPolarHBondContact O-CG2 3.4Å; L283-V288 PolarHBondContact O-N 3.02Å; L283-K290 HydrophobicContact CD1-CB 4.29Å; L283-K290 HydrophobicContact CD1-CG 4.08Å; L283-L335 HydrophobicContact CD2-CD1 3.85Å; L283-L335 HydrophobicContact CD2-CD2 3.97Å; L283-L335 HydrophobicContact CG-CD1 4.23Å; L283-L335 HydrophobicContact CG-CD2 3.81Å
284Q86.9Confident78.3Confident144 Ų14474.2 Ų74.267%0.67336%0.359SS*.Hα-helixtrans-64.9-42.3174.6-76.1176.7-0.200111.9R280 E281 L286 S287R280-Q284 WeakPolarHBondContact O-CB 3.3Å; R280-Q284 VanDerWaalsContact O-CG 3.29Å; R280-Q284 WeakPolarHBondContact O-CG 3.32Å; R280-Q284 PolarHBondContact O-N 3.49Å; E281-Q284 PolarHBondContact O-N 3.26Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; Q284-L286 PolarHBondContact O-N 3.12Å; Q284-S287 WeakPolarHBondContact O-CA 3.28Å; Q284-S287 PolarHBondContact O-N 3.14Å
285M86.8Confident79.4Confident49 Ų4976.9 Ų76.924%0.24138%0.376CS..Hα-helixtrans-61.8-41178.3-171.364.4-164.800111.7E281 A282 S287 M324 Q327 I328 A331E281-M285 WeakPolarHBondContact O-CB 3.35Å; E281-M285 PolarHBondContact O-N 3.1Å; A282-M285 PolarHBondContact O-N 3.36Å; M285-S287 VanDerWaalsContact C-N 3.25Å; M285-S287 PolarHBondContact O-N 3.18Å; M285-M324 HydrophobicContact CE-CE 3.32Å; M285-M324 HydrophobicContact CE-SD 3.99Å; M285-Q327 HydrophobicContact CE-CB 3.77Å; M285-Q327 HydrophobicContact SD-CB 4.49Å; M285-I328 HydrophobicContact CE-CG1 3.79Å; M285-A331 HydrophobicContact CB-CB 3.97Å; M285-A331 HydrophobicContact CG-CB 4.04Å
286L87.6Confident80.6Confident0 Ų075.5 Ų75.50%037%0.374CS..THydrogen-bonded Turntrans-83.22.7173.3-64.4-176.2000113.3A282 L283 Q284 V288 I297 S300 L304 I328 A331 L335A282-L286 PolarHBondContact O-N 3.14Å; L283-L286 CarbonylContact O-C 3.56Å; L283-L286 PolarHBondContact O-N 3.04Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; Q284-L286 PolarHBondContact O-N 3.12Å; L286-V288 HydrophobicContact CB-CG2 3.86Å; L286-V288 PolarHBondContact O-N 2.95Å; L286-V288 VanDerWaalsContact O-N 3.16Å; L286-I297 HydrophobicContact CD1-CG2 3.83Å; L286-S300 WeakPolarHBondContact O-CB 3.22Å; L286-S300 PolarHBondContact O-OG 2.69Å; L286-L304 HydrophobicContact CB-CD1 4.5Å; L286-L304 HydrophobicContact CD2-CD1 3.76Å; L286-I328 HydrophobicContact CD2-CG2 3.99Å; L286-A331 HydrophobicContact CG-CB 4.18Å; L286-L335 HydrophobicContact CD1-CD1 3.74Å
287S85.3Confident81.5Confident101 Ų10173.9 Ų73.971%0.70636%0.363SS*.THydrogen-bonded Turntrans51.936.3-180-59.10000114.1L283 Q284 M285L283-S287 PolarHBondContact O-N 3.11Å; Q284-S287 WeakPolarHBondContact O-CA 3.28Å; Q284-S287 PolarHBondContact O-N 3.14Å; M285-S287 VanDerWaalsContact C-N 3.25Å; M285-S287 PolarHBondContact O-N 3.18Å
288V87.7Confident82.2Confident18 Ų1870.1 Ų70.111%0.10935%0.347CS..  trans-112.6152.1-179.2-72.40000110.9L283 L286 A292 E296 I297L283-V288 HydrophobicContact CB-CG2 4.31Å; L283-V288 HydrophobicContact CD2-CG2 3.61Å; L283-V288 WeakPolarHBondContact O-CG2 3.4Å; L283-V288 PolarHBondContact O-N 3.02Å; L286-V288 HydrophobicContact CB-CG2 3.86Å; L286-V288 PolarHBondContact O-N 2.95Å; L286-V288 VanDerWaalsContact O-N 3.16Å; V288-A292 HydrophobicContact CB-CB 3.86Å; V288-A292 HydrophobicContact CG2-CB 4.44Å; V288-E296 HydrophobicContact CG1-CG 4.33Å; V288-I297 HydrophobicContact CG2-CG1 4.3Å
289N84.1Confident83.1Confident99 Ų9972.9 Ų72.953%0.52936%0.357SS..  trans-70.9157.2179-1662.6000111.4E291 A292N289-E291 PolarHBondContact O-N 3.33Å; N289-E291 VanDerWaalsContact O-N 3.12Å; N289-A292 WeakPolarHBondContact O-CB 3.4Å; N289-A292 PolarHBondContact O-N 3.08Å
290K75.7Confident83.7Confident142 Ų14271 Ų7162%0.61735%0.351SS*.THydrogen-bonded Turntrans-57.9-25.2176.2-64.8-178.3-178.6177.50113.9L283L283-K290 HydrophobicContact CD1-CB 4.29Å; L283-K290 HydrophobicContact CD1-CG 4.08Å
291E75.6Confident84.4Confident174 Ų17467.1 Ų67.181%0.81334%0.336SS*.THydrogen-bonded Turntrans-99.511.2179.4-65.8162.2-171.100112.5N289 S293N289-E291 PolarHBondContact O-N 3.33Å; N289-E291 VanDerWaalsContact O-N 3.12Å; E291-S293 PolarHBondContact O-N 2.86Å
292A77.5Confident84.7Confident4 Ų469.9 Ų69.93%0.03334%0.342CS..  trans-63.1135.6-176.800000112V288 N289 E296 I297 Q339V288-A292 HydrophobicContact CB-CB 3.86Å; V288-A292 HydrophobicContact CG2-CB 4.44Å; N289-A292 WeakPolarHBondContact O-CB 3.4Å; N289-A292 PolarHBondContact O-N 3.08Å; A292-E296 WeakPolarHBondContact CA-OE2 3.44Å; A292-E296 HydrophobicContact CB-CB 4.29Å; A292-E296 HydrophobicContact CB-CG 4.22Å; A292-E296 WeakPolarHBondContact CB-OE2 3.35Å; A292-I297 HydrophobicContact CB-CG1 4.16Å; A292-Q339 PolarHBondContact O-NE2 3.3Å
293S83.1Confident85Confident60 Ų6075 Ų7542%0.4237%0.365SS..  trans-71157.7175.4680000111.6E291 D295 E296 I297E291-S293 PolarHBondContact O-N 2.86Å; S293-D295 PolarHBondContact O-N 3.2Å; S293-D295 VanDerWaalsContact O-N 3.13Å; S293-E296 WeakPolarHBondContact O-CB 3.43Å; S293-E296 PolarHBondContact O-N 2.99Å; S293-E296 PolarHBondContact OG-N 2.75Å; S293-I297 WeakPolarHBondContact O-CG1 3.29Å; S293-I297 PolarHBondContact O-N 3.07Å
294M80.6Confident85.2Confident47 Ų4775.7 Ų75.723%0.23237%0.369CS..Hα-helixtrans-51.7-36.8173.5-85.8-39.3-6200112.9E296 I297 T298 L336 Q339M294-E296 VanDerWaalsContact C-N 3.29Å; M294-E296 PolarHBondContact O-N 3.48Å; M294-I297 PolarHBondContact O-N 3.07Å; M294-I297 HydrophobicContact SD-CD1 4.31Å; M294-T298 VanDerWaalsContact O-CB 3.27Å; M294-T298 WeakPolarHBondContact O-CB 3.11Å; M294-T298 PolarHBondContact O-N 3.08Å; M294-T298 PolarHBondContact O-OG1 3.27Å; M294-L336 HydrophobicContact CE-CD1 3.44Å; M294-L336 VanDerWaalsContact CE-CD1 3.44Å; M294-Q339 HydrophobicContact CG-CB 4.32Å; M294-Q339 HydrophobicContact SD-CB 3.54Å; M294-Q339 VanDerWaalsContact SD-CB 3.54Å; M294-Q339 HydrophobicContact SD-CG 3.82Å; M294-Q339 PolarHBondContact SD-OE1 2.73Å
295D82.3Confident85.3Confident119 Ų11970.1 Ų70.164%0.63635%0.345SS*.Hα-helixtrans-66.4-35.3-179-68-24.6000111.5S293 R299S293-D295 PolarHBondContact O-N 3.2Å; S293-D295 VanDerWaalsContact O-N 3.13Å; D295-R299 VanDerWaalsContact O-CB 3.25Å; D295-R299 WeakPolarHBondContact O-CB 3.35Å; D295-R299 PolarHBondContact O-N 2.63Å
296E84.4Confident85.3Confident85 Ų8574.8 Ų74.840%0.39736%0.363SS..Hα-helixtrans-73.2-43.4176.9-170.6174.3-172.500111.5V288 A292 S293 M294 T298 R299 S300V288-E296 HydrophobicContact CG1-CG 4.33Å; A292-E296 WeakPolarHBondContact CA-OE2 3.44Å; A292-E296 HydrophobicContact CB-CB 4.29Å; A292-E296 HydrophobicContact CB-CG 4.22Å; A292-E296 WeakPolarHBondContact CB-OE2 3.35Å; S293-E296 WeakPolarHBondContact O-CB 3.43Å; S293-E296 PolarHBondContact O-N 2.99Å; S293-E296 PolarHBondContact OG-N 2.75Å; M294-E296 VanDerWaalsContact C-N 3.29Å; M294-E296 PolarHBondContact O-N 3.48Å; E296-T298 PolarHBondContact O-N 2.89Å; E296-R299 PolarHBondContact O-N 3.31Å; E296-S300 PolarHBondContact O-N 3.04Å
297I86.7Confident85.3Confident2 Ų279 Ų791%0.0139%0.389CS..Hα-helixtrans-59.1-47.6173.4-65.9167.9000110.5L286 V288 A292 S293 M294 R299 S300 Y301 Y332 L335L286-I297 HydrophobicContact CD1-CG2 3.83Å; V288-I297 HydrophobicContact CG2-CG1 4.3Å; A292-I297 HydrophobicContact CB-CG1 4.16Å; S293-I297 WeakPolarHBondContact O-CG1 3.29Å; S293-I297 PolarHBondContact O-N 3.07Å; M294-I297 PolarHBondContact O-N 3.07Å; M294-I297 HydrophobicContact SD-CD1 4.31Å; I297-R299 VanDerWaalsContact C-N 3.32Å; I297-R299 PolarHBondContact O-N 3.1Å; I297-S300 PolarHBondContact O-N 2.79Å; I297-Y301 WeakPolarHBondContact O-CB 3.39Å; I297-Y301 PolarHBondContact O-N 3.15Å; I297-Y332 HydrophobicContact CG2-CD2 3.9Å; I297-Y332 HydrophobicContact CG2-CE2 4.13Å; I297-L335 HydrophobicContact CD1-CB 4.4Å; I297-L335 HydrophobicContact CD1-CD1 4.29Å; I297-L335 HydrophobicContact CG1-CD1 4.42Å; I297-L335 HydrophobicContact CG2-CB 4.33Å; I297-L335 HydrophobicContact CG2-CD1 4Å
298T86.9Confident85.4Confident23 Ų2377.7 Ų77.714%0.14137%0.369CS..Hα-helixtrans-66.6-35.2-179.8-550000111.8M294 E296 R302M294-T298 VanDerWaalsContact O-CB 3.27Å; M294-T298 WeakPolarHBondContact O-CB 3.11Å; M294-T298 PolarHBondContact O-N 3.08Å; M294-T298 PolarHBondContact O-OG1 3.27Å; E296-T298 PolarHBondContact O-N 2.89Å; T298-R302 VanDerWaalsContact O-CG 3.26Å; T298-R302 WeakPolarHBondContact O-CG 3.14Å; T298-R302 PolarHBondContact O-N 3.43Å; T298-R302 VanDerWaalsContact O-N 3.11Å
299R88.7Confident85.3Confident154 Ų15479.5 Ų79.558%0.58138%0.376SS*.Hα-helixtrans-66.6-51176.1-172.3-176.1-54.5156.66.2111.1D295 E296 I297 Y301 R302 E303D295-R299 VanDerWaalsContact O-CB 3.25Å; D295-R299 WeakPolarHBondContact O-CB 3.35Å; D295-R299 PolarHBondContact O-N 2.63Å; E296-R299 PolarHBondContact O-N 3.31Å; I297-R299 VanDerWaalsContact C-N 3.32Å; I297-R299 PolarHBondContact O-N 3.1Å; R299-Y301 VanDerWaalsContact C-N 3.33Å; R299-Y301 PolarHBondContact O-N 2.91Å; R299-R302 PolarHBondContact O-N 2.93Å; R299-R302 VanDerWaalsContact O-N 3.17Å; R299-E303 WeakPolarHBondContact O-CG 3.49Å; R299-E303 PolarHBondContact O-N 3.47Å
300S89.1Confident85.2Confident18 Ų1876.5 Ų76.513%0.12636%0.361CS..Hα-helixtrans-60.2-43.8178.5-177.40000111.7L286 E296 I297 R302 E303 L304L286-S300 WeakPolarHBondContact O-CB 3.22Å; L286-S300 PolarHBondContact O-OG 2.69Å; E296-S300 PolarHBondContact O-N 3.04Å; I297-S300 PolarHBondContact O-N 2.79Å; S300-R302 PolarHBondContact O-N 3.3Å; S300-E303 PolarHBondContact O-N 3.07Å; S300-E303 VanDerWaalsContact O-N 3.15Å; S300-L304 WeakPolarHBondContact O-CB 3.44Å; S300-L304 WeakPolarHBondContact O-CG 3.35Å; S300-L304 PolarHBondContact O-N 2.89Å
301Y91.1Very high85.5Confident45 Ų4575.8 Ų75.818%0.17637%0.365CS..Hα-helixtrans-54.2-49.2173.5168.2-105.1000112.5I297 R299 E303 L304 V305 I328 Y332I297-Y301 WeakPolarHBondContact O-CB 3.39Å; I297-Y301 PolarHBondContact O-N 3.15Å; R299-Y301 VanDerWaalsContact C-N 3.33Å; R299-Y301 PolarHBondContact O-N 2.91Å; Y301-E303 VanDerWaalsContact C-N 3.28Å; Y301-E303 PolarHBondContact O-N 2.76Å; Y301-L304 PolarHBondContact O-N 3.44Å; Y301-V305 HydrophobicContact CD2-CG2 3.86Å; Y301-V305 HydrophobicContact CE1-CG2 4.15Å; Y301-V305 HydrophobicContact CE2-CG2 3.4Å; Y301-V305 HydrophobicContact CG-CG2 4.41Å; Y301-V305 WeakPolarHBondContact O-CB 3.28Å; Y301-V305 VanDerWaalsContact O-CG2 3.29Å; Y301-V305 WeakPolarHBondContact O-CG2 3.36Å; Y301-V305 PolarHBondContact O-N 3.09Å; Y301-I328 HydrophobicContact CD2-CG2 3.73Å; Y301-I328 HydrophobicContact CE2-CG2 4.06Å; Y301-Y332 HydrophobicContact CD1-CD1 4.16Å; Y301-Y332 HydrophobicContact CD1-CD2 4.15Å; Y301-Y332 HydrophobicContact CD1-CE1 4.24Å; Y301-Y332 HydrophobicContact CD1-CE2 4.24Å; Y301-Y332 HydrophobicContact CD1-CG 4.11Å; Y301-Y332 VanDerWaalsContact CD2-CB 3.46Å; Y301-Y332 HydrophobicContact CD2-CD1 4.11Å; Y301-Y332 HydrophobicContact CD2-CD2 4.11Å; Y301-Y332 AromaticContact CD2-CG 3.63Å; Y301-Y332 HydrophobicContact CD2-CG 3.63Å; Y301-Y332 HydrophobicContact CE1-CD1 4.16Å; Y301-Y332 HydrophobicContact CE1-CE1 4.25Å; Y301-Y332 HydrophobicContact CE2-CD1 4.1Å; Y301-Y332 HydrophobicContact CE2-CG 4.05Å; Y301-Y332 HydrophobicContact CG-CD1 4.13Å; Y301-Y332 AromaticContact CG-CD2 3.69Å; Y301-Y332 HydrophobicContact CG-CD2 3.69Å; Y301-Y332 HydrophobicContact CG-CE2 4.2Å; Y301-Y332 AromaticContact CG-CG 3.65Å; Y301-Y332 HydrophobicContact CG-CG 3.65Å
302R89.6Confident85.8Confident160 Ų16073.7 Ų73.760%0.60436%0.355SS*.Hα-helixtrans-63.2-34179.4-73.6172.3-175.8-178.34.6112.7T298 R299 S300 K306T298-R302 VanDerWaalsContact O-CG 3.26Å; T298-R302 WeakPolarHBondContact O-CG 3.14Å; T298-R302 PolarHBondContact O-N 3.43Å; T298-R302 VanDerWaalsContact O-N 3.11Å; R299-R302 PolarHBondContact O-N 2.93Å; R299-R302 VanDerWaalsContact O-N 3.17Å; S300-R302 PolarHBondContact O-N 3.3Å; R302-K306 WeakPolarHBondContact O-CD 3.23Å; R302-K306 VanDerWaalsContact O-CG 3.24Å; R302-K306 WeakPolarHBondContact O-CG 3.48Å; R302-K306 PolarHBondContact O-N 3.22Å
303E90.2Very high86.1Confident112 Ų11275.1 Ų75.152%0.52336%0.362SS..Hα-helixtrans-71-48.4177.2-72174.5-175.700110.9R299 S300 Y301 V305 K306 V307R299-E303 WeakPolarHBondContact O-CG 3.49Å; R299-E303 PolarHBondContact O-N 3.47Å; S300-E303 PolarHBondContact O-N 3.07Å; S300-E303 VanDerWaalsContact O-N 3.15Å; Y301-E303 VanDerWaalsContact C-N 3.28Å; Y301-E303 PolarHBondContact O-N 2.76Å; E303-V305 PolarHBondContact O-N 2.97Å; E303-K306 PolarHBondContact O-N 3.34Å; E303-V307 WeakPolarHBondContact O-CG2 3.48Å; E303-V307 PolarHBondContact O-N 2.88Å; E303-V307 VanDerWaalsContact O-N 3.13Å
304L89.3Confident85.9Confident34 Ų3477 Ų7718%0.17837%0.372CS..Hα-helixtrans-63.9-38.8178.7-71.7170.8000112.6L286 S300 Y301 K306 V307 W308 I328L286-L304 HydrophobicContact CB-CD1 4.5Å; L286-L304 HydrophobicContact CD2-CD1 3.76Å; S300-L304 WeakPolarHBondContact O-CB 3.44Å; S300-L304 WeakPolarHBondContact O-CG 3.35Å; S300-L304 PolarHBondContact O-N 2.89Å; Y301-L304 PolarHBondContact O-N 3.44Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.14Å; L304-V307 PolarHBondContact O-N 2.78Å; L304-W308 PolarHBondContact O-N 3.49Å; L304-I328 HydrophobicContact CB-CD1 3.84Å; L304-I328 HydrophobicContact CB-CG1 4.26Å; L304-I328 HydrophobicContact CB-CG2 4.02Å
305V88.8Confident85.9Confident27 Ų2777.4 Ų77.416%0.16439%0.388CS..Hα-helixtrans-61.6-41.1174.6161.20000111.9Y301 E303 V307 H309 F325 I328Y301-V305 HydrophobicContact CD2-CG2 3.86Å; Y301-V305 HydrophobicContact CE1-CG2 4.15Å; Y301-V305 HydrophobicContact CE2-CG2 3.4Å; Y301-V305 HydrophobicContact CG-CG2 4.41Å; Y301-V305 WeakPolarHBondContact O-CB 3.28Å; Y301-V305 VanDerWaalsContact O-CG2 3.29Å; Y301-V305 WeakPolarHBondContact O-CG2 3.36Å; Y301-V305 PolarHBondContact O-N 3.09Å; E303-V305 PolarHBondContact O-N 2.97Å; V305-V307 VanDerWaalsContact C-N 3.31Å; V305-V307 PolarHBondContact O-N 3.2Å; V305-H309 WeakPolarHBondContact O-CB 3.46Å; V305-H309 PolarHBondContact O-N 3.04Å; V305-F325 HydrophobicContact CG1-CE2 4.01Å; V305-F325 HydrophobicContact CG2-CE2 4.35Å; V305-I328 HydrophobicContact CG2-CG2 4.13Å
306K87.8Confident85.6Confident146 Ų14677.3 Ų77.364%0.63540%0.397SS*.Hα-helixtrans-65.4-36.8176.7-72.7169.6-175.9-178.90111.9R302 E303 L304 H312R302-K306 WeakPolarHBondContact O-CD 3.23Å; R302-K306 VanDerWaalsContact O-CG 3.24Å; R302-K306 WeakPolarHBondContact O-CG 3.48Å; R302-K306 PolarHBondContact O-N 3.22Å; E303-K306 PolarHBondContact O-N 3.34Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.14Å; K306-H312 PolarHBondContact O-CD2 3.46Å; K306-H312 VanDerWaalsContact O-CD2 3.23Å
307V86.3Confident85.3Confident88 Ų8879.6 Ų79.653%0.53341%0.406SS..Hα-helixtrans-71.2-43.5179.9173.80000111.3E303 L304 V305 N313E303-V307 WeakPolarHBondContact O-CG2 3.48Å; E303-V307 PolarHBondContact O-N 2.88Å; E303-V307 VanDerWaalsContact O-N 3.13Å; L304-V307 PolarHBondContact O-N 2.78Å; V305-V307 VanDerWaalsContact C-N 3.31Å; V305-V307 PolarHBondContact O-N 3.2Å; V307-N313 PolarHBondContact O-ND2 3.29Å
308W87.3Confident85Confident74 Ų7483.5 Ų83.528%0.2843%0.425SS..Hα-helixtrans-100.610.5-172-65.9105.7000114.4L304 A321 M324 I328L304-W308 PolarHBondContact O-N 3.49Å; W308-A321 HydrophobicContact CE3-CB 4.06Å; W308-M324 HydrophobicContact CB-CB 4.33Å; W308-M324 HydrophobicContact CD2-CB 3.77Å; W308-M324 HydrophobicContact CD2-CG 4.15Å; W308-M324 HydrophobicContact CE3-CB 3.91Å; W308-M324 HydrophobicContact CE3-CG 4.06Å; W308-M324 HydrophobicContact CG-CB 4Å; W308-M324 HydrophobicContact CH2-CG 4.16Å; W308-M324 HydrophobicContact CZ2-CE 4.16Å; W308-M324 HydrophobicContact CZ2-CG 4.29Å; W308-M324 HydrophobicContact CZ3-CB 4.41Å; W308-M324 HydrophobicContact CZ3-CG 4.05Å; W308-I328 HydrophobicContact CB-CD1 4.03Å; W308-I328 VanDerWaalsContact CD1-CD1 3.47Å; W308-I328 HydrophobicContact CG-CD1 3.94Å
309H85.8Confident84.7Confident57 Ų5790.2 Ų90.226%0.26446%0.455SS..  trans-61.9135.3177.3-159.3-91.2000110.8V305 D311 H312 N313 F325V305-H309 WeakPolarHBondContact O-CB 3.46Å; V305-H309 PolarHBondContact O-N 3.04Å; H309-D311 VanDerWaalsContact C-N 3.25Å; H309-D311 IonicContact CE1-OD1 3.45Å; H309-D311 IonicContact CE1-OD2 3.68Å; H309-D311 PolarHBondContact CE1-OD2 3.35Å; H309-D311 VanDerWaalsContact ND1-CB 3.33Å; H309-D311 WeakPolarHBondContact ND1-CB 3.45Å; H309-D311 PolarHBondContact ND1-N 2.99Å; H309-D311 IonicContact ND1-OD1 2.78Å; H309-D311 IonicContact ND1-OD2 3.46Å; H309-D311 PolarHBondContact O-N 3.17Å; H309-H312 PolarHBondContact O-N 3.23Å; H309-N313 PolarHBondContact O-N 3.17Å; H309-N313 PolarHBondContact O-ND2 2.93Å; H309-F325 AromaticContact CD2-CE2 3.98Å
310P81.6Confident84.5Confident35 Ų3589 Ų8923%0.22746%0.456CS..G310 helixtrans-55.8-38.6179-26.634.5000113.2H312 N313P310-H312 PolarHBondContact O-N 3.39Å; P310-N313 CarbonylContact O-C 3.6Å; P310-N313 PolarHBondContact O-N 3.24Å
311D83.6Confident84.1Confident128 Ų12888.1 Ų88.168%0.68445%0.45SS*.G310 helixtrans-62.8-26.4178.6-60.4-1.5000113.7H309H309-D311 VanDerWaalsContact C-N 3.25Å; H309-D311 IonicContact CE1-OD1 3.45Å; H309-D311 IonicContact CE1-OD2 3.68Å; H309-D311 PolarHBondContact CE1-OD2 3.35Å; H309-D311 VanDerWaalsContact ND1-CB 3.33Å; H309-D311 WeakPolarHBondContact ND1-CB 3.45Å; H309-D311 PolarHBondContact ND1-N 2.99Å; H309-D311 IonicContact ND1-OD1 2.78Å; H309-D311 IonicContact ND1-OD2 3.46Å; H309-D311 PolarHBondContact O-N 3.17Å
312H81.8Confident83.7Confident130 Ų13091 Ų9160%0.60247%0.465SS*.G310 helixtrans-90-10.6177.7-64.4-45.3000112.6K306 H309 P310 P314K306-H312 PolarHBondContact O-CD2 3.46Å; K306-H312 VanDerWaalsContact O-CD2 3.23Å; H309-H312 PolarHBondContact O-N 3.23Å; P310-H312 PolarHBondContact O-N 3.39Å; H312-P314 VanDerWaalsContact C-CD 3.49Å
313N82.3Confident83.5Confident34 Ų3490 Ų9018%0.18247%0.465CS..SBendtrans-129.965.6-174.1-63.3-77.3000112.6V307 H309 P310 K317 M318 A321V307-N313 PolarHBondContact O-ND2 3.29Å; H309-N313 PolarHBondContact O-N 3.17Å; H309-N313 PolarHBondContact O-ND2 2.93Å; P310-N313 CarbonylContact O-C 3.6Å; P310-N313 PolarHBondContact O-N 3.24Å; N313-K317 HydrophobicContact CB-CB 4.49Å; N313-M318 VanDerWaalsContact O-CA 3.27Å; N313-M318 WeakPolarHBondContact O-CA 3.2Å; N313-M318 WeakPolarHBondContact O-CB 3.49Å; N313-M318 PolarHBondContact O-N 3.13Å; N313-A321 HydrophobicContact CB-CB 3.68Å
314P78.9Confident83.3Confident99 Ų9987.2 Ų87.264%0.64345%0.452SS*.  trans-74.6160.9-179.930.8-35.2000113.1H312H312-P314 VanDerWaalsContact C-CD 3.49Å
315G80.8Confident83.1Confident55 Ų5587.6 Ų87.657%0.56745%0.453SS*.G310 helixtrans81.9-136.6173.800000113.3K317 M318G315-K317 PolarHBondContact O-N 3.31Å; G315-M318 VanDerWaalsContact O-CB 3.32Å; G315-M318 WeakPolarHBondContact O-CB 3.45Å; G315-M318 PolarHBondContact O-N 2.75Å; G315-M318 VanDerWaalsContact O-N 3.17Å
316S76.8Confident82.9Confident117 Ų11790.9 Ų90.982%0.81847%0.468SS*.G310 helixtrans-66-17.2-173.853.10000114.9
317K78.2Confident82.9Confident133 Ų13387.7 Ų87.758%0.57846%0.455SS*.G310 helixtrans-91.5-5178.1-62.9-175.8-179.5-178.30113.6N313 G315 E319 E320 A321N313-K317 HydrophobicContact CB-CB 4.49Å; G315-K317 PolarHBondContact O-N 3.31Å; K317-E319 PolarHBondContact O-N 3.48Å; K317-E320 PolarHBondContact O-N 2.66Å; K317-A321 VanDerWaalsContact O-CB 3.27Å; K317-A321 WeakPolarHBondContact O-CB 3.26Å; K317-A321 PolarHBondContact O-N 3.01Å
318M80.4Confident83Confident85 Ų8583.5 Ų83.542%0.41943%0.43SS..Hα-helixtrans-66.7-38.8-173.8-172.6142.266.900112.1N313 G315 A321 Q322N313-M318 VanDerWaalsContact O-CA 3.27Å; N313-M318 WeakPolarHBondContact O-CA 3.2Å; N313-M318 WeakPolarHBondContact O-CB 3.49Å; N313-M318 PolarHBondContact O-N 3.13Å; G315-M318 VanDerWaalsContact O-CB 3.32Å; G315-M318 WeakPolarHBondContact O-CB 3.45Å; G315-M318 PolarHBondContact O-N 2.75Å; G315-M318 VanDerWaalsContact O-N 3.17Å; M318-A321 PolarHBondContact O-N 2.73Å; M318-Q322 VanDerWaalsContact O-CB 3.26Å; M318-Q322 WeakPolarHBondContact O-CB 3.24Å; M318-Q322 PolarHBondContact O-N 3.02Å
319E80.8Confident83.1Confident163 Ų16383.4 Ų83.476%0.76243%0.433SS*.Hα-helixtrans-68.6-41.8-179.6-164.2171.8-170.700111.8K317 K323K317-E319 PolarHBondContact O-N 3.48Å; E319-K323 WeakPolarHBondContact O-CB 3.38Å; E319-K323 PolarHBondContact O-N 3.42Å
320E83.8Confident83.1Confident129 Ų12986 Ų8660%0.60345%0.445SS*.Hα-helixtrans-64.7-44.6173.5-67.7-178.517600111.4K317 Q322 K323 M324K317-E320 PolarHBondContact O-N 2.66Å; E320-Q322 PolarHBondContact O-N 2.94Å; E320-K323 PolarHBondContact O-N 3.28Å; E320-M324 WeakPolarHBondContact O-CB 3.09Å; E320-M324 VanDerWaalsContact O-CG 3.32Å; E320-M324 WeakPolarHBondContact O-CG 3.36Å; E320-M324 PolarHBondContact O-N 2.79Å
321A81.8Confident83.3Confident0 Ų084.6 Ų84.60%044%0.436CS..Hα-helixtrans-63.9-41.6178.600000112.2W308 N313 K317 M318 K323 M324 F325W308-A321 HydrophobicContact CE3-CB 4.06Å; N313-A321 HydrophobicContact CB-CB 3.68Å; K317-A321 VanDerWaalsContact O-CB 3.27Å; K317-A321 WeakPolarHBondContact O-CB 3.26Å; K317-A321 PolarHBondContact O-N 3.01Å; M318-A321 PolarHBondContact O-N 2.73Å; A321-K323 PolarHBondContact O-N 3.05Å; A321-M324 PolarHBondContact O-N 2.69Å; A321-F325 WeakPolarHBondContact O-CB 3.46Å; A321-F325 PolarHBondContact O-N 3.36Å
322Q82.9Confident83.5Confident106 Ų10680.5 Ų80.550%0.49541%0.412SS..Hα-helixtrans-63.5-41.8176.1-173.2174.8-5.700111.7M318 E320 F325 I326M318-Q322 VanDerWaalsContact O-CB 3.26Å; M318-Q322 WeakPolarHBondContact O-CB 3.24Å; M318-Q322 PolarHBondContact O-N 3.02Å; E320-Q322 PolarHBondContact O-N 2.94Å; Q322-F325 PolarHBondContact O-N 3.25Å; Q322-I326 HydrophobicContact CG-CD1 4.35Å; Q322-I326 VanDerWaalsContact O-CG1 3.31Å; Q322-I326 WeakPolarHBondContact O-CG1 3.42Å; Q322-I326 PolarHBondContact O-N 3.01Å; Q322-I326 VanDerWaalsContact O-N 3.11Å
323K84.6Confident83.7Confident138 Ų13878 Ų7860%0.640%0.4SS*.Hα-helixtrans-64.2-46176.6-171.2179.1180-177.70111.7E319 E320 A321 I326 Q327E319-K323 WeakPolarHBondContact O-CB 3.38Å; E319-K323 PolarHBondContact O-N 3.42Å; E320-K323 PolarHBondContact O-N 3.28Å; A321-K323 PolarHBondContact O-N 3.05Å; K323-I326 PolarHBondContact O-N 3.44Å; K323-Q327 WeakPolarHBondContact O-CG 3.44Å; K323-Q327 PolarHBondContact O-N 3.4Å; K323-Q327 VanDerWaalsContact O-N 3.16Å
324M84.9Confident83.6Confident54 Ų5478.3 Ų78.327%0.26640%0.404SS..Hα-helixtrans-63.6-41.6177.1-71.7-61.4-68.500111.7M285 W308 E320 A321 I326 Q327 I328M285-M324 HydrophobicContact CE-CE 3.32Å; M285-M324 HydrophobicContact CE-SD 3.99Å; W308-M324 HydrophobicContact CB-CB 4.33Å; W308-M324 HydrophobicContact CD2-CB 3.77Å; W308-M324 HydrophobicContact CD2-CG 4.15Å; W308-M324 HydrophobicContact CE3-CB 3.91Å; W308-M324 HydrophobicContact CE3-CG 4.06Å; W308-M324 HydrophobicContact CG-CB 4Å; W308-M324 HydrophobicContact CH2-CG 4.16Å; W308-M324 HydrophobicContact CZ2-CE 4.16Å; W308-M324 HydrophobicContact CZ2-CG 4.29Å; W308-M324 HydrophobicContact CZ3-CB 4.41Å; W308-M324 HydrophobicContact CZ3-CG 4.05Å; E320-M324 WeakPolarHBondContact O-CB 3.09Å; E320-M324 VanDerWaalsContact O-CG 3.32Å; E320-M324 WeakPolarHBondContact O-CG 3.36Å; E320-M324 PolarHBondContact O-N 2.79Å; A321-M324 PolarHBondContact O-N 2.69Å; M324-I326 PolarHBondContact O-N 2.95Å; M324-Q327 PolarHBondContact O-N 2.88Å; M324-I328 WeakPolarHBondContact O-CB 3.49Å; M324-I328 WeakPolarHBondContact O-CD1 3.31Å; M324-I328 VanDerWaalsContact O-CG1 3.22Å; M324-I328 WeakPolarHBondContact O-CG1 3.39Å; M324-I328 PolarHBondContact O-N 3.22Å
325F85.3Confident83.8Confident42 Ų4274.1 Ų74.118%0.18438%0.376CS..Hα-helixtrans-58.2-45.9177.4-178.1-89.1000112.1V305 H309 A321 Q322 Q327 I328 Q329V305-F325 HydrophobicContact CG1-CE2 4.01Å; V305-F325 HydrophobicContact CG2-CE2 4.35Å; H309-F325 AromaticContact CD2-CE2 3.98Å; A321-F325 WeakPolarHBondContact O-CB 3.46Å; A321-F325 PolarHBondContact O-N 3.36Å; Q322-F325 PolarHBondContact O-N 3.25Å; F325-Q327 PolarHBondContact O-N 2.81Å; F325-I328 PolarHBondContact O-N 3.07Å; F325-Q329 WeakPolarHBondContact O-CB 3.37Å; F325-Q329 PolarHBondContact O-N 3.48Å
326I86.2Confident83.8Confident95 Ų9575.5 Ų75.549%0.48737%0.37SS..Hα-helixtrans-61.1-46176.5-66.9165.2000110.6Q322 K323 M324 I328 Q329 E330Q322-I326 HydrophobicContact CG-CD1 4.35Å; Q322-I326 VanDerWaalsContact O-CG1 3.31Å; Q322-I326 WeakPolarHBondContact O-CG1 3.42Å; Q322-I326 PolarHBondContact O-N 3.01Å; Q322-I326 VanDerWaalsContact O-N 3.11Å; K323-I326 PolarHBondContact O-N 3.44Å; M324-I326 PolarHBondContact O-N 2.95Å; I326-I328 PolarHBondContact O-N 3.04Å; I326-Q329 PolarHBondContact O-N 3.34Å; I326-E330 WeakPolarHBondContact O-CB 3.36Å; I326-E330 PolarHBondContact O-N 3.31Å
327Q86.9Confident83.5Confident79 Ų7977 Ų7737%0.36936%0.357SS..Hα-helixtrans-64.4-39.6179.6-71.4-179.9-14.800112.8M285 K323 M324 F325 Q329 E330 A331M285-Q327 HydrophobicContact CE-CB 3.77Å; M285-Q327 HydrophobicContact SD-CB 4.49Å; K323-Q327 WeakPolarHBondContact O-CG 3.44Å; K323-Q327 PolarHBondContact O-N 3.4Å; K323-Q327 VanDerWaalsContact O-N 3.16Å; M324-Q327 PolarHBondContact O-N 2.88Å; F325-Q327 PolarHBondContact O-N 2.81Å; Q327-Q329 VanDerWaalsContact C-N 3.34Å; Q327-E330 PolarHBondContact O-N 2.87Å; Q327-A331 WeakPolarHBondContact O-CB 3.46Å; Q327-A331 PolarHBondContact O-N 3.16Å
328I89.2Confident82.8Confident1 Ų172 Ų721%0.00534%0.344CS..Hα-helixtrans-63.3-42.5175.9-71157.8000110.6M285 L286 Y301 L304 V305 W308 M324 F325 I326 A331 Y332M285-I328 HydrophobicContact CE-CG1 3.79Å; L286-I328 HydrophobicContact CD2-CG2 3.99Å; Y301-I328 HydrophobicContact CD2-CG2 3.73Å; Y301-I328 HydrophobicContact CE2-CG2 4.06Å; L304-I328 HydrophobicContact CB-CD1 3.84Å; L304-I328 HydrophobicContact CB-CG1 4.26Å; L304-I328 HydrophobicContact CB-CG2 4.02Å; V305-I328 HydrophobicContact CG2-CG2 4.13Å; W308-I328 HydrophobicContact CB-CD1 4.03Å; W308-I328 VanDerWaalsContact CD1-CD1 3.47Å; W308-I328 HydrophobicContact CG-CD1 3.94Å; M324-I328 WeakPolarHBondContact O-CB 3.49Å; M324-I328 WeakPolarHBondContact O-CD1 3.31Å; M324-I328 VanDerWaalsContact O-CG1 3.22Å; M324-I328 WeakPolarHBondContact O-CG1 3.39Å; M324-I328 PolarHBondContact O-N 3.22Å; F325-I328 PolarHBondContact O-N 3.07Å; I326-I328 PolarHBondContact O-N 3.04Å; I328-A331 PolarHBondContact O-N 2.89Å; I328-Y332 WeakPolarHBondContact O-CB 3.27Å; I328-Y332 PolarHBondContact O-N 3.05Å
329Q88.4Confident82Confident71 Ų7172.1 Ų72.133%0.33234%0.344SS..Hα-helixtrans-67.4-43.2179-171.2164.6-17.900111.8F325 I326 Q327 Y332 E333F325-Q329 WeakPolarHBondContact O-CB 3.37Å; F325-Q329 PolarHBondContact O-N 3.48Å; I326-Q329 PolarHBondContact O-N 3.34Å; Q327-Q329 VanDerWaalsContact C-N 3.34Å; Q329-Y332 PolarHBondContact O-N 3.08Å; Q329-E333 PolarHBondContact O-N 3.4Å
330E86.7Confident80.2Confident111 Ų11172.5 Ų72.552%0.51934%0.342SS..Hα-helixtrans-62.3-41.7175.3-172.7174.9-169.700112.2I326 Q327 E333 T334I326-E330 WeakPolarHBondContact O-CB 3.36Å; I326-E330 PolarHBondContact O-N 3.31Å; Q327-E330 PolarHBondContact O-N 2.87Å; E330-E333 PolarHBondContact O-N 3.21Å; E330-T334 WeakPolarHBondContact O-CB 3.43Å; E330-T334 PolarHBondContact O-N 3.23Å; E330-T334 PolarHBondContact O-OG1 3.34Å
331A86.1Confident78Confident6 Ų671.6 Ų71.65%0.0535%0.348CS..Hα-helixtrans-62.1-45.7175.600000112A282 M285 L286 Q327 I328 T334 L335A282-A331 HydrophobicContact CB-CB 3.82Å; M285-A331 HydrophobicContact CB-CB 3.97Å; M285-A331 HydrophobicContact CG-CB 4.04Å; L286-A331 HydrophobicContact CG-CB 4.18Å; Q327-A331 WeakPolarHBondContact O-CB 3.46Å; Q327-A331 PolarHBondContact O-N 3.16Å; I328-A331 PolarHBondContact O-N 2.89Å; A331-T334 PolarHBondContact O-N 3.36Å; A331-L335 WeakPolarHBondContact O-CG 3.36Å; A331-L335 PolarHBondContact O-N 2.95Å; A331-L335 VanDerWaalsContact O-N 3.15Å
332Y86.8Confident75.9Confident42 Ų4280.6 Ų80.617%0.16539%0.39CS..Hα-helixtrans-63.4-44.1177.6178.3-107.8000112.4I297 Y301 I328 Q329 T334 L335 L336I297-Y332 HydrophobicContact CG2-CD2 3.9Å; I297-Y332 HydrophobicContact CG2-CE2 4.13Å; Y301-Y332 HydrophobicContact CD1-CD1 4.16Å; Y301-Y332 HydrophobicContact CD1-CD2 4.15Å; Y301-Y332 HydrophobicContact CD1-CE1 4.24Å; Y301-Y332 HydrophobicContact CD1-CE2 4.24Å; Y301-Y332 HydrophobicContact CD1-CG 4.11Å; Y301-Y332 VanDerWaalsContact CD2-CB 3.46Å; Y301-Y332 HydrophobicContact CD2-CD1 4.11Å; Y301-Y332 HydrophobicContact CD2-CD2 4.11Å; Y301-Y332 AromaticContact CD2-CG 3.63Å; Y301-Y332 HydrophobicContact CD2-CG 3.63Å; Y301-Y332 HydrophobicContact CE1-CD1 4.16Å; Y301-Y332 HydrophobicContact CE1-CE1 4.25Å; Y301-Y332 HydrophobicContact CE2-CD1 4.1Å; Y301-Y332 HydrophobicContact CE2-CG 4.05Å; Y301-Y332 HydrophobicContact CG-CD1 4.13Å; Y301-Y332 AromaticContact CG-CD2 3.69Å; Y301-Y332 HydrophobicContact CG-CD2 3.69Å; Y301-Y332 HydrophobicContact CG-CE2 4.2Å; Y301-Y332 AromaticContact CG-CG 3.65Å; Y301-Y332 HydrophobicContact CG-CG 3.65Å; I328-Y332 WeakPolarHBondContact O-CB 3.27Å; I328-Y332 PolarHBondContact O-N 3.05Å; Q329-Y332 PolarHBondContact O-N 3.08Å; Y332-T334 VanDerWaalsContact C-N 3.31Å; Y332-T334 PolarHBondContact O-N 3.1Å; Y332-L335 PolarHBondContact O-N 2.71Å; Y332-L336 VanDerWaalsContact O-CB 3.31Å; Y332-L336 WeakPolarHBondContact O-CB 3.39Å; Y332-L336 PolarHBondContact O-N 3.4Å
333E85.1Confident73.6Confident77 Ų7783.6 Ų83.636%0.3640%0.403SS..Hα-helixtrans-61.8-39.2175.7-76.2-170-159.600112.6Q329 E330 L336 R337Q329-E333 PolarHBondContact O-N 3.4Å; E330-E333 PolarHBondContact O-N 3.21Å; E333-L336 PolarHBondContact O-N 3.39Å; E333-R337 VanDerWaalsContact O-CG 3.28Å; E333-R337 WeakPolarHBondContact O-CG 3.47Å; E333-R337 PolarHBondContact O-N 3.2Å; E333-R337 IonicContact OE2-NH2 2.66Å; E333-R337 PolarHBondContact OE2-NH2 3.33Å; E333-R337 VanDerWaalsContact OE2-NH2 3.1Å
334T81.4Confident71.1Confident42 Ų4288.4 Ų88.426%0.25842%0.418SS..Hα-helixtrans-61.2-47.5178.8-60.70000111R278 A282 E330 A331 Y332 R337 G338R278-T334 HydrophobicContact CB-CG2 4.48Å; A282-T334 HydrophobicContact CB-CG2 4.39Å; E330-T334 WeakPolarHBondContact O-CB 3.43Å; E330-T334 PolarHBondContact O-N 3.23Å; E330-T334 PolarHBondContact O-OG1 3.34Å; A331-T334 PolarHBondContact O-N 3.36Å; Y332-T334 VanDerWaalsContact C-N 3.31Å; Y332-T334 PolarHBondContact O-N 3.1Å; T334-R337 PolarHBondContact O-N 3.4Å; T334-G338 PolarHBondContact O-N 3.12Å; T334-G338 VanDerWaalsContact O-N 3.11Å
335L82.4Confident68.5Low10 Ų1093.3 Ų93.35%0.05245%0.445CS..Hα-helixtrans-70.4-35.4179-61.7176000112.8A282 L283 L286 I297 A331 Y332 R337 G338 Q339A282-L335 HydrophobicContact CB-CD1 4.25Å; A282-L335 HydrophobicContact CB-CD2 3.99Å; A282-L335 HydrophobicContact CB-CG 3.87Å; L283-L335 HydrophobicContact CD2-CD1 3.85Å; L283-L335 HydrophobicContact CD2-CD2 3.97Å; L283-L335 HydrophobicContact CG-CD1 4.23Å; L283-L335 HydrophobicContact CG-CD2 3.81Å; L286-L335 HydrophobicContact CD1-CD1 3.74Å; I297-L335 HydrophobicContact CD1-CB 4.4Å; I297-L335 HydrophobicContact CD1-CD1 4.29Å; I297-L335 HydrophobicContact CG1-CD1 4.42Å; I297-L335 HydrophobicContact CG2-CB 4.33Å; I297-L335 HydrophobicContact CG2-CD1 4Å; A331-L335 WeakPolarHBondContact O-CG 3.36Å; A331-L335 PolarHBondContact O-N 2.95Å; A331-L335 VanDerWaalsContact O-N 3.15Å; Y332-L335 PolarHBondContact O-N 2.71Å; L335-R337 VanDerWaalsContact C-N 3.3Å; L335-R337 PolarHBondContact O-N 3.41Å; L335-G338 PolarHBondContact O-N 2.73Å; L335-Q339 PolarHBondContact O-N 2.87Å
336L80.2Confident66Low84 Ų84104.1 Ų104.144%0.4449%0.492SS..Hα-helixtrans-63.4-37.3175.6-167.477.4000111.8M294 Y332 E333M294-L336 HydrophobicContact CE-CD1 3.44Å; M294-L336 VanDerWaalsContact CE-CD1 3.44Å; Y332-L336 VanDerWaalsContact O-CB 3.31Å; Y332-L336 WeakPolarHBondContact O-CB 3.39Å; Y332-L336 PolarHBondContact O-N 3.4Å; E333-L336 PolarHBondContact O-N 3.39Å
337R71.3Confident65Low149 Ų149104.6 Ų104.656%0.56249%0.493SS*.Hα-helixtrans-69.8-38.7174.4-70.6175.4-163.2-167.111111.6E333 T334 L335E333-R337 VanDerWaalsContact O-CG 3.28Å; E333-R337 WeakPolarHBondContact O-CG 3.47Å; E333-R337 PolarHBondContact O-N 3.2Å; E333-R337 IonicContact OE2-NH2 2.66Å; E333-R337 PolarHBondContact OE2-NH2 3.33Å; E333-R337 VanDerWaalsContact OE2-NH2 3.1Å; T334-R337 PolarHBondContact O-N 3.4Å; L335-R337 VanDerWaalsContact C-N 3.3Å; L335-R337 PolarHBondContact O-N 3.41Å
338G64.3Low63.8Low29 Ų29105.9 Ų105.930%0.29950%0.499SS..Hα-helixtrans-68.1-32.5178.400000114.7T334 L335T334-G338 PolarHBondContact O-N 3.12Å; T334-G338 VanDerWaalsContact O-N 3.11Å; L335-G338 PolarHBondContact O-N 2.73Å
339Q62.1Low62.4Low87 Ų87111.8 Ų111.841%0.40753%0.526SS..THydrogen-bonded Turntrans-90.19.9-178.8-82.6-152.522.900115.5A292 M294 L335A292-Q339 PolarHBondContact O-NE2 3.3Å; M294-Q339 HydrophobicContact CG-CB 4.32Å; M294-Q339 HydrophobicContact SD-CB 3.54Å; M294-Q339 VanDerWaalsContact SD-CB 3.54Å; M294-Q339 HydrophobicContact SD-CG 3.82Å; M294-Q339 PolarHBondContact SD-OE1 2.73Å; L335-Q339 PolarHBondContact O-N 2.87Å
340K43.1Very low60.9Low170 Ų170114.2 Ų114.274%0.73954%0.538SS*.SBendtrans-54.8129.5168.8-104.5-179.9176.7176.90108.8E342K340-E342 PolarHBondContact O-N 3.03Å
341P38.8Very low59.2Low110 Ų110114.4 Ų114.471%0.71454%0.539SS*.  trans-68107.6-156.324.8-33.2000111.7H343P341-H343 PolarHBondContact O-N 2.94Å; P341-H343 VanDerWaalsContact O-N 3.16Å
342E37.7Very low57.5Low190 Ų190121.6 Ų121.689%0.88857%0.572SS**  trans-58.9111.1141.8-100.2-172.515400105.9K340 R344K340-E342 PolarHBondContact O-N 3.03Å; E342-R344 PolarHBondContact O-N 3.1Å
343H33.5Very low55.4Low168 Ų168127.3 Ų127.378%0.77860%0.601SS**  trans-49.8110.2176.7-106.8-68.6000109.2P341 N345P341-H343 PolarHBondContact O-N 2.94Å; P341-H343 VanDerWaalsContact O-N 3.16Å; H343-N345 VanDerWaalsContact C-N 3.27Å; H343-N345 PolarHBondContact O-N 3.02Å
344R32.8Very low53.1Low239 Ų239131.2 Ų131.290%0.90262%0.619SS**  trans-56.493.9164-114.5178.8174.8176.70.1107.4E342 K346E342-R344 PolarHBondContact O-N 3.1Å; R344-K346 PolarHBondContact O-N 3.29Å; R344-K346 VanDerWaalsContact O-N 3.16Å
345N31.3Very low50.7Low157 Ų157138.6 Ų138.684%0.8465%0.65SS**  trans-66.1108.2162.9-78.3-26000107H343H343-N345 VanDerWaalsContact C-N 3.27Å; H343-N345 PolarHBondContact O-N 3.02Å
346K31Very low47.8Very low270 Ų270150.3 Ų150.3100%1.17470%0.704SS**  trans-98.20153.6-89.6-169.4174.7-174.20108.3R344R344-K346 PolarHBondContact O-N 3.29Å; R344-K346 VanDerWaalsContact O-N 3.16Å

Retrieved 346 of 346 residues in 65.5 ms (Link to these results)

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