A0A077ZJ66_TRITR Loading...

Trehalase

AlphaFold DB , UniProt , Accession A0A077ZJ66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 390 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
1M67Low81.6Confident112 Ų11276.7 Ų76.755%0.55241%0.41SS*.  0132.50-68.4-175.7-70.700107.9V31 F35 N36 P38M1-V31 HydrophobicContact CE-CG1 3.77Å; M1-V31 HydrophobicContact SD-CG1 3.97Å; M1-F35 HydrophobicContact CB-CB 3.94Å; M1-F35 HydrophobicContact CB-CD1 3.95Å; M1-F35 HydrophobicContact CB-CG 4.36Å; M1-F35 HydrophobicContact CE-CB 4.3Å; M1-F35 HydrophobicContact CE-CD1 4.4Å; M1-F35 HydrophobicContact CE-CG 4.31Å; M1-F35 HydrophobicContact SD-CB 4.03Å; M1-N36 WeakPolarHBondContact CB-O 3.35Å; M1-N36 WeakPolarHBondContact CG-O 3.2Å; M1-P38 HydrophobicContact CG-CB 4.43Å; M1-P38 HydrophobicContact CG-CG 3.81Å; M1-P38 HydrophobicContact SD-CG 4.2Å
2S72.8Confident82.4Confident36 Ų3679.9 Ų79.925%0.25242%0.417SS..  trans-76.4146.9174.357.70000110.6F35 N36 S40S2-F35 WeakPolarHBondContact O-CA 3.4Å; S2-N36 PolarHBondContact O-N 3.48Å; S2-N36 WeakPolarHBondContact OG-CB 3.14Å; S2-N36 PolarHBondContact OG-ND2 3.38Å; S2-S40 PolarHBondContact OG-OG 3.17Å
3L77.4Confident83.2Confident69 Ų6974.2 Ų74.236%0.36139%0.388SS..BIsolated β-bridgetrans-73.9136.4174.7-65.1169.8000109.9H5 C7 T10 F35L3-H5 VanDerWaalsContact C-N 3.33Å; L3-H5 WeakPolarHBondContact CB-O 3.41Å; L3-C7 HydrophobicContact CD1-CB 4Å; L3-T10 HydrophobicContact CD2-CG2 3.83Å; L3-F35 HydrophobicContact CD2-CD1 3.88Å; L3-F35 HydrophobicContact CD2-CE1 3.43Å; L3-F35 VanDerWaalsContact CD2-CE1 3.43Å; L3-F35 HydrophobicContact CD2-CZ 3.83Å
4K86.6Confident83.7Confident92 Ų9272.9 Ų72.940%0.439%0.385SS..SBendtrans-75.4-26.5168.7-74.3172.7169.7176.70112.2D32 D33 Y34 F35 N36K4-D32 PolarHBondContact NZ-O 2.75Å; K4-D33 WeakPolarHBondContact CD-O 3.02Å; K4-Y34 PolarHBondContact N-O 3.19Å; K4-F35 WeakPolarHBondContact CE-O 3.04Å; K4-F35 PolarHBondContact NZ-O 3.43Å; K4-N36 WeakPolarHBondContact CE-OD1 3.39Å; K4-N36 WeakPolarHBondContact CG-OD1 3.42Å
5H85.4Confident84.2Confident90 Ų9078.3 Ų78.342%0.41740%0.404SS..SBendtrans-121.3173.9-178.9-59.1-71.5000111.2L3 E9 Y34L3-H5 VanDerWaalsContact C-N 3.33Å; L3-H5 WeakPolarHBondContact CB-O 3.41Å; H5-E9 HydrophobicContact CB-CB 4.12Å; H5-Y34 HydrophobicContact CB-CD1 4.42Å; H5-Y34 AromaticContact CD2-CD1 3.51Å; H5-Y34 AromaticContact CD2-CE1 3.78Å
6S81.5Confident84.7Confident56 Ų5683.6 Ų83.639%0.39243%0.427SS..  trans-63.2155.7173.1690000111.2N8 E9 T10S6-N8 PolarHBondContact O-N 2.72Å; S6-E9 VanDerWaalsContact CB-OE2 3.3Å; S6-E9 WeakPolarHBondContact CB-OE2 3.4Å; S6-E9 PolarHBondContact N-OE2 3.43Å; S6-E9 PolarHBondContact O-N 3.04Å; S6-E9 WeakPolarHBondContact OG-CB 3.47Å; S6-E9 VanDerWaalsContact OG-CG 3.23Å; S6-E9 WeakPolarHBondContact OG-CG 3.46Å; S6-E9 PolarHBondContact OG-N 2.87Å; S6-E9 PolarHBondContact OG-OE2 3.05Å; S6-T10 PolarHBondContact O-N 2.76Å; S6-T10 PolarHBondContact O-OG1 3.38Å
7C79.9Confident85.1Confident91 Ų9180.9 Ų80.962%0.61542%0.417SS*.Hα-helixtrans-55.6-39.2176-176.90000111.6L3 T10 L11L3-C7 HydrophobicContact CD1-CB 4Å; C7-T10 PolarHBondContact O-N 3.38Å; C7-L11 VanDerWaalsContact O-CB 3.25Å; C7-L11 WeakPolarHBondContact O-CB 3.46Å; C7-L11 PolarHBondContact O-N 2.95Å
8N83.1Confident85.4Confident96 Ų9678.6 Ų78.651%0.51342%0.417SS..Hα-helixtrans-68.5-40.5-180-164.914.6000112.6S6 K12S6-N8 PolarHBondContact O-N 2.72Å; N8-K12 WeakPolarHBondContact O-CB 3.39Å; N8-K12 VanDerWaalsContact O-CG 3.24Å; N8-K12 WeakPolarHBondContact O-CG 3.23Å; N8-K12 PolarHBondContact O-N 3.48Å
9E88.6Confident85.8Confident103 Ų10382.1 Ų82.148%0.48144%0.436SS..Hα-helixtrans-65.7-44.6175.4-72.9162.1145.300111.5H5 S6 K12 A13H5-E9 HydrophobicContact CB-CB 4.12Å; S6-E9 VanDerWaalsContact CB-OE2 3.3Å; S6-E9 WeakPolarHBondContact CB-OE2 3.4Å; S6-E9 PolarHBondContact N-OE2 3.43Å; S6-E9 PolarHBondContact O-N 3.04Å; S6-E9 WeakPolarHBondContact OG-CB 3.47Å; S6-E9 VanDerWaalsContact OG-CG 3.23Å; S6-E9 WeakPolarHBondContact OG-CG 3.46Å; S6-E9 PolarHBondContact OG-N 2.87Å; S6-E9 PolarHBondContact OG-OE2 3.05Å; E9-K12 PolarHBondContact O-N 2.94Å; E9-A13 WeakPolarHBondContact O-CB 3.33Å; E9-A13 PolarHBondContact O-N 3.14Å
10T86.9Confident86.1Confident8 Ų880.8 Ų80.85%0.04944%0.437CS..Hα-helixtrans-62.2-46.5178.5-52.20000110.9L3 S6 C7 K12 A13 V14 F30 Y34 F35L3-T10 HydrophobicContact CD2-CG2 3.83Å; S6-T10 PolarHBondContact O-N 2.76Å; S6-T10 PolarHBondContact O-OG1 3.38Å; C7-T10 PolarHBondContact O-N 3.38Å; T10-K12 PolarHBondContact O-N 3.49Å; T10-A13 WeakPolarHBondContact O-CB 3.48Å; T10-A13 PolarHBondContact O-N 2.99Å; T10-A13 VanDerWaalsContact O-N 3.16Å; T10-V14 WeakPolarHBondContact O-CG2 3.27Å; T10-V14 PolarHBondContact O-N 3.3Å; T10-F30 HydrophobicContact CG2-CE1 4.37Å; T10-F30 HydrophobicContact CG2-CZ 4.13Å; T10-Y34 HydrophobicContact CG2-CD1 3.94Å; T10-Y34 HydrophobicContact CG2-CG 4.21Å; T10-F35 HydrophobicContact CG2-CE2 4.23Å; T10-F35 HydrophobicContact CG2-CZ 4.2Å
11L88.8Confident86.2Confident91 Ų9178.1 Ų78.148%0.47642%0.422SS..Hα-helixtrans-61.9-42.9178.2-16489000111.8C7 A13 V14 F15C7-L11 VanDerWaalsContact O-CB 3.25Å; C7-L11 WeakPolarHBondContact O-CB 3.46Å; C7-L11 PolarHBondContact O-N 2.95Å; L11-A13 VanDerWaalsContact C-N 3.3Å; L11-A13 PolarHBondContact O-N 3.34Å; L11-V14 PolarHBondContact O-N 2.92Å; L11-F15 HydrophobicContact CD1-CE2 4.33Å; L11-F15 HydrophobicContact CD2-CD2 4.35Å; L11-F15 HydrophobicContact CD2-CE2 3.65Å; L11-F15 HydrophobicContact CG-CD2 4.05Å; L11-F15 HydrophobicContact CG-CE2 3.6Å; L11-F15 WeakPolarHBondContact O-CD2 3.42Å; L11-F15 PolarHBondContact O-N 3.28Å; L11-F15 VanDerWaalsContact O-N 3.08Å
12K91.3Very high87.4Confident115 Ų11579 Ų7950%0.543%0.429SS..Hα-helixtrans-59.9-41.5174.4-77.7173.5-178.3179.30111.7N8 E9 T10 F15 Q16N8-K12 WeakPolarHBondContact O-CB 3.39Å; N8-K12 VanDerWaalsContact O-CG 3.24Å; N8-K12 WeakPolarHBondContact O-CG 3.23Å; N8-K12 PolarHBondContact O-N 3.48Å; E9-K12 PolarHBondContact O-N 2.94Å; T10-K12 PolarHBondContact O-N 3.49Å; K12-F15 PolarHBondContact O-N 3.15Å; K12-Q16 WeakPolarHBondContact O-CB 3.2Å; K12-Q16 VanDerWaalsContact O-CG 3.29Å; K12-Q16 WeakPolarHBondContact O-CG 3.3Å; K12-Q16 PolarHBondContact O-N 3.29Å
13A92.5Very high88.4Confident5 Ų581.3 Ų81.34%0.04144%0.439CS..Hα-helixtrans-66.1-40178.400000112.1E9 T10 L11 F15 Q16 S17 F30 Y34E9-A13 WeakPolarHBondContact O-CB 3.33Å; E9-A13 PolarHBondContact O-N 3.14Å; T10-A13 WeakPolarHBondContact O-CB 3.48Å; T10-A13 PolarHBondContact O-N 2.99Å; T10-A13 VanDerWaalsContact O-N 3.16Å; L11-A13 VanDerWaalsContact C-N 3.3Å; L11-A13 PolarHBondContact O-N 3.34Å; A13-F15 VanDerWaalsContact C-N 3.33Å; A13-F15 PolarHBondContact O-N 3.42Å; A13-Q16 PolarHBondContact O-N 2.89Å; A13-S17 PolarHBondContact O-N 3.36Å; A13-S17 PolarHBondContact O-OG 3.36Å; A13-S17 VanDerWaalsContact O-OG 3.11Å; A13-F30 HydrophobicContact CB-CE2 3.67Å; A13-F30 HydrophobicContact CB-CZ 4.17Å; A13-Y34 HydrophobicContact CB-CD1 4.34Å; A13-Y34 HydrophobicContact CB-CE1 3.5Å; A13-Y34 VanDerWaalsContact CB-CE1 3.5Å; A13-Y34 HydrophobicContact CB-CE2 3.99Å; A13-Y34 WeakPolarHBondContact CB-OH 3.38Å
14V89.8Confident89.2Confident56 Ų5686 Ų8634%0.33946%0.459SS..Hα-helixtrans-56.5-48.5171.3176.30000110.7T10 L11 Q16 S17 F30T10-V14 WeakPolarHBondContact O-CG2 3.27Å; T10-V14 PolarHBondContact O-N 3.3Å; L11-V14 PolarHBondContact O-N 2.92Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.42Å; V14-S17 PolarHBondContact O-N 3.4Å; V14-F30 HydrophobicContact CB-CZ 4.28Å; V14-F30 HydrophobicContact CG2-CE1 3.54Å; V14-F30 HydrophobicContact CG2-CE2 4.18Å; V14-F30 HydrophobicContact CG2-CZ 3.28Å
15F91.5Very high89.5Confident154 Ų15488.8 Ų88.868%0.67547%0.473SS*.Hα-helixtrans-66.2-34.4-179.8-74-57.4000113.2L11 K12 A13 S17 G18L11-F15 HydrophobicContact CD1-CE2 4.33Å; L11-F15 HydrophobicContact CD2-CD2 4.35Å; L11-F15 HydrophobicContact CD2-CE2 3.65Å; L11-F15 HydrophobicContact CG-CD2 4.05Å; L11-F15 HydrophobicContact CG-CE2 3.6Å; L11-F15 WeakPolarHBondContact O-CD2 3.42Å; L11-F15 PolarHBondContact O-N 3.28Å; L11-F15 VanDerWaalsContact O-N 3.08Å; K12-F15 PolarHBondContact O-N 3.15Å; A13-F15 VanDerWaalsContact C-N 3.33Å; A13-F15 PolarHBondContact O-N 3.42Å; F15-S17 VanDerWaalsContact C-N 3.33Å; F15-G18 PolarHBondContact O-N 2.93Å
16Q93Very high89.9Confident163 Ų16387.2 Ų87.276%0.76247%0.47SS*.Hα-helixtrans-68.2-31.8176.5-76.1173-9.400112.7K12 A13 V14 G18K12-Q16 WeakPolarHBondContact O-CB 3.2Å; K12-Q16 VanDerWaalsContact O-CG 3.29Å; K12-Q16 WeakPolarHBondContact O-CG 3.3Å; K12-Q16 PolarHBondContact O-N 3.29Å; A13-Q16 PolarHBondContact O-N 2.89Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.42Å; Q16-G18 PolarHBondContact O-N 3.37Å
17S90.4Very high90.5Very high38 Ų3888.3 Ų88.327%0.26647%0.471SS..Hα-helixtrans-66.5-22.6175-61.60000113.1A13 V14 F15 D19 A20A13-S17 PolarHBondContact O-N 3.36Å; A13-S17 PolarHBondContact O-OG 3.36Å; A13-S17 VanDerWaalsContact O-OG 3.11Å; V14-S17 PolarHBondContact O-N 3.4Å; F15-S17 VanDerWaalsContact C-N 3.33Å; S17-D19 PolarHBondContact O-N 2.61Å; S17-A20 VanDerWaalsContact O-CB 3.28Å; S17-A20 WeakPolarHBondContact O-CB 3.21Å; S17-A20 PolarHBondContact O-N 3.17Å; S17-A20 VanDerWaalsContact O-N 3.12Å
18G91.4Very high91.2Very high40 Ų4087 Ų8741%0.41246%0.463SS..G310 helixtrans52.8-138.1179.600000112.2F15 Q16 A20 I21F15-G18 PolarHBondContact O-N 2.93Å; Q16-G18 PolarHBondContact O-N 3.37Å; G18-A20 PolarHBondContact O-N 3.23Å; G18-I21 VanDerWaalsContact O-CG2 3.24Å; G18-I21 WeakPolarHBondContact O-CG2 3.43Å; G18-I21 PolarHBondContact O-N 3.38Å
19D91.9Very high91.7Very high145 Ų14585.7 Ų85.778%0.77546%0.458SS*.G310 helixtrans-68.7-16.5179.7-67.3-32.4000113.9S17 I21 N22S17-D19 PolarHBondContact O-N 2.61Å; D19-I21 PolarHBondContact O-N 3.25Å; D19-N22 WeakPolarHBondContact O-CB 3.34Å; D19-N22 PolarHBondContact O-N 3.25Å; D19-N22 VanDerWaalsContact O-N 3.16Å; D19-N22 PolarHBondContact O-ND2 3.11Å
20A91.8Very high92Very high55 Ų5581.7 Ų81.746%0.45544%0.439SS..G310 helixtrans-65.2-25.6-179.900000112.1S17 G18 N22 N23 V26S17-A20 VanDerWaalsContact O-CB 3.28Å; S17-A20 WeakPolarHBondContact O-CB 3.21Å; S17-A20 PolarHBondContact O-N 3.17Å; S17-A20 VanDerWaalsContact O-N 3.12Å; G18-A20 PolarHBondContact O-N 3.23Å; A20-N22 PolarHBondContact O-N 3.46Å; A20-N22 VanDerWaalsContact O-N 3.13Å; A20-N23 WeakPolarHBondContact O-CB 3.32Å; A20-N23 PolarHBondContact O-N 3.3Å; A20-V26 WeakPolarHBondContact O-CB 3.38Å
21I89.4Confident92.3Very high25 Ų2583.2 Ų83.213%0.12845%0.449CS..G310 helixtrans-63.6-16.4177.1-156.262.4000112.9G18 D19 N23 L27 F30G18-I21 VanDerWaalsContact O-CG2 3.24Å; G18-I21 WeakPolarHBondContact O-CG2 3.43Å; G18-I21 PolarHBondContact O-N 3.38Å; D19-I21 PolarHBondContact O-N 3.25Å; I21-N23 VanDerWaalsContact C-N 3.26Å; I21-N23 PolarHBondContact O-N 2.74Å; I21-L27 HydrophobicContact CD1-CD1 4.08Å; I21-L27 HydrophobicContact CG1-CD1 4.05Å; I21-L27 WeakPolarHBondContact O-CB 3Å; I21-F30 HydrophobicContact CD1-CB 3.67Å; I21-F30 HydrophobicContact CD1-CD1 4.04Å; I21-F30 HydrophobicContact CD1-CD2 3.97Å; I21-F30 HydrophobicContact CD1-CG 3.6Å
22N90.8Very high92.5Very high130 Ų13083.6 Ų83.670%0.69545%0.451SS*.G310 helixtrans-79.2-9176.1-61.6-50.1000113D19 A20D19-N22 WeakPolarHBondContact O-CB 3.34Å; D19-N22 PolarHBondContact O-N 3.25Å; D19-N22 VanDerWaalsContact O-N 3.16Å; D19-N22 PolarHBondContact O-ND2 3.11Å; A20-N22 PolarHBondContact O-N 3.46Å; A20-N22 VanDerWaalsContact O-N 3.13Å
23N93.9Very high92.6Very high86 Ų8682.5 Ų82.546%0.4645%0.451SS..SBendtrans-80.2130.5170.6179.3-73000109.8A20 I21 E25 V26 L27A20-N23 WeakPolarHBondContact O-CB 3.32Å; A20-N23 PolarHBondContact O-N 3.3Å; I21-N23 VanDerWaalsContact C-N 3.26Å; I21-N23 PolarHBondContact O-N 2.74Å; N23-E25 VanDerWaalsContact C-N 3.34Å; N23-E25 PolarHBondContact O-N 3.33Å; N23-E25 WeakPolarHBondContact OD1-CB 3.43Å; N23-E25 PolarHBondContact OD1-N 3.09Å; N23-V26 HydrophobicContact CB-CB 4.2Å; N23-V26 HydrophobicContact CB-CG2 3.96Å; N23-V26 PolarHBondContact O-N 3.37Å; N23-V26 PolarHBondContact OD1-N 2.88Å; N23-L27 WeakPolarHBondContact O-CB 3.43Å; N23-L27 PolarHBondContact O-N 3.16Å
24E93.9Very high92.6Very high168 Ų16885 Ų8579%0.78546%0.46SS*.Hα-helixtrans-59.2-38.8-174.6-172.4175.8-179.200113.7L27 S28E24-L27 PolarHBondContact O-N 3.3Å; E24-S28 VanDerWaalsContact O-CB 3.3Å; E24-S28 WeakPolarHBondContact O-CB 3.02Å; E24-S28 PolarHBondContact O-N 2.91Å
25E94.5Very high92.6Very high149 Ų14984.8 Ų84.870%0.69645%0.454SS*.Hα-helixtrans-69.9-40.8179.5-172.3177.7-173.500111.4N23 S28 T29N23-E25 VanDerWaalsContact C-N 3.34Å; N23-E25 PolarHBondContact O-N 3.33Å; N23-E25 WeakPolarHBondContact OD1-CB 3.43Å; N23-E25 PolarHBondContact OD1-N 3.09Å; E25-S28 PolarHBondContact O-N 3.4Å; E25-T29 WeakPolarHBondContact O-CB 3.16Å; E25-T29 PolarHBondContact O-N 2.81Å; E25-T29 PolarHBondContact O-OG1 3.13Å
26V93.7Very high92.2Very high57 Ų5779.7 Ų79.735%0.34543%0.434SS..Hα-helixtrans-65.9-44.2175.2179.70000110.4A20 N23 T29 F30A20-V26 WeakPolarHBondContact O-CB 3.38Å; N23-V26 HydrophobicContact CB-CB 4.2Å; N23-V26 HydrophobicContact CB-CG2 3.96Å; N23-V26 PolarHBondContact O-N 3.37Å; N23-V26 PolarHBondContact OD1-N 2.88Å; V26-T29 PolarHBondContact O-N 2.81Å; V26-F30 VanDerWaalsContact O-CB 3.27Å; V26-F30 WeakPolarHBondContact O-CB 3.45Å; V26-F30 PolarHBondContact O-N 3.07Å
27L93.7Very high91.8Very high80 Ų8076.2 Ų76.242%0.41943%0.426SS..Hα-helixtrans-63.7-44.4177.2-177.859.8000111.5I21 N23 E24 F30 V31I21-L27 HydrophobicContact CD1-CD1 4.08Å; I21-L27 HydrophobicContact CG1-CD1 4.05Å; I21-L27 WeakPolarHBondContact O-CB 3Å; N23-L27 WeakPolarHBondContact O-CB 3.43Å; N23-L27 PolarHBondContact O-N 3.16Å; E24-L27 PolarHBondContact O-N 3.3Å; L27-F30 WeakPolarHBondContact O-CB 3.32Å; L27-F30 PolarHBondContact O-N 3.35Å; L27-V31 HydrophobicContact CD1-CG2 4.31Å; L27-V31 WeakPolarHBondContact O-CB 3.22Å; L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.25Å; L27-V31 PolarHBondContact O-N 3.13Å
28S93.6Very high90.8Very high63 Ų6378.2 Ų78.244%0.44144%0.438SS..Hα-helixtrans-60.2-47.9177.6-169.90000110.7E24 E25 F30 V31 D32E24-S28 VanDerWaalsContact O-CB 3.3Å; E24-S28 WeakPolarHBondContact O-CB 3.02Å; E24-S28 PolarHBondContact O-N 2.91Å; E25-S28 PolarHBondContact O-N 3.4Å; S28-F30 VanDerWaalsContact C-N 3.34Å; S28-F30 PolarHBondContact O-N 3.39Å; S28-V31 PolarHBondContact O-N 2.79Å; S28-D32 PolarHBondContact O-N 2.74Å
29T94.2Very high89.6Confident69 Ų6977 Ų7742%0.42343%0.425SS..Hα-helixtrans-61.8-43.2177-53.10000111.1E25 V26 V31 D32 D33E25-T29 WeakPolarHBondContact O-CB 3.16Å; E25-T29 PolarHBondContact O-N 2.81Å; E25-T29 PolarHBondContact O-OG1 3.13Å; V26-T29 PolarHBondContact O-N 2.81Å; T29-V31 VanDerWaalsContact C-N 3.34Å; T29-V31 PolarHBondContact O-N 3.12Å; T29-D32 PolarHBondContact O-N 2.91Å; T29-D33 WeakPolarHBondContact O-CB 3.49Å; T29-D33 PolarHBondContact O-N 3.29Å
30F95.2Very high88.5Confident18 Ų1873 Ų738%0.07941%0.408CS..Hα-helixtrans-60.5-43.3176-177.8-88.8000112T10 A13 V14 I21 V26 L27 S28 D33 Y34 F35T10-F30 HydrophobicContact CG2-CE1 4.37Å; T10-F30 HydrophobicContact CG2-CZ 4.13Å; A13-F30 HydrophobicContact CB-CE2 3.67Å; A13-F30 HydrophobicContact CB-CZ 4.17Å; V14-F30 HydrophobicContact CB-CZ 4.28Å; V14-F30 HydrophobicContact CG2-CE1 3.54Å; V14-F30 HydrophobicContact CG2-CE2 4.18Å; V14-F30 HydrophobicContact CG2-CZ 3.28Å; I21-F30 HydrophobicContact CD1-CB 3.67Å; I21-F30 HydrophobicContact CD1-CD1 4.04Å; I21-F30 HydrophobicContact CD1-CD2 3.97Å; I21-F30 HydrophobicContact CD1-CG 3.6Å; V26-F30 VanDerWaalsContact O-CB 3.27Å; V26-F30 WeakPolarHBondContact O-CB 3.45Å; V26-F30 PolarHBondContact O-N 3.07Å; L27-F30 WeakPolarHBondContact O-CB 3.32Å; L27-F30 PolarHBondContact O-N 3.35Å; S28-F30 VanDerWaalsContact C-N 3.34Å; S28-F30 PolarHBondContact O-N 3.39Å; F30-D33 PolarHBondContact O-N 2.86Å; F30-Y34 HydrophobicContact CD1-CD2 4.45Å; F30-Y34 AromaticContact CD2-CD2 3.68Å; F30-Y34 HydrophobicContact CD2-CD2 3.68Å; F30-Y34 AromaticContact CD2-CE2 3.83Å; F30-Y34 HydrophobicContact CD2-CE2 3.83Å; F30-Y34 HydrophobicContact CE1-CD2 4.29Å; F30-Y34 HydrophobicContact CE1-CG 4.32Å; F30-Y34 AromaticContact CE2-CD2 3.49Å; F30-Y34 HydrophobicContact CE2-CD2 3.49Å; F30-Y34 VanDerWaalsContact CE2-CD2 3.49Å; F30-Y34 AromaticContact CE2-CE2 3.58Å; F30-Y34 HydrophobicContact CE2-CE2 3.58Å; F30-Y34 HydrophobicContact CE2-CG 4.04Å; F30-Y34 HydrophobicContact CG-CD2 4.15Å; F30-Y34 HydrophobicContact CZ-CD1 4.4Å; F30-Y34 AromaticContact CZ-CD2 3.79Å; F30-Y34 HydrophobicContact CZ-CD2 3.79Å; F30-Y34 HydrophobicContact CZ-CE2 4.26Å; F30-Y34 AromaticContact CZ-CG 3.87Å; F30-Y34 HydrophobicContact CZ-CG 3.87Å; F30-Y34 WeakPolarHBondContact O-CB 3.42Å; F30-Y34 WeakPolarHBondContact O-CD2 3.28Å; F30-Y34 PolarHBondContact O-N 2.9Å; F30-F35 HydrophobicContact CD1-CE2 4.48Å; F30-F35 HydrophobicContact CE1-CE2 4.04Å
31V92.8Very high87.1Confident41 Ų4173.5 Ų73.525%0.24840%0.401CS..Hα-helixtrans-61.5-47.8176168.80000109.9M1 L27 S28 T29 D33 Y34 F35M1-V31 HydrophobicContact CE-CG1 3.77Å; M1-V31 HydrophobicContact SD-CG1 3.97Å; L27-V31 HydrophobicContact CD1-CG2 4.31Å; L27-V31 WeakPolarHBondContact O-CB 3.22Å; L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.25Å; L27-V31 PolarHBondContact O-N 3.13Å; S28-V31 PolarHBondContact O-N 2.79Å; T29-V31 VanDerWaalsContact C-N 3.34Å; T29-V31 PolarHBondContact O-N 3.12Å; V31-D33 VanDerWaalsContact C-N 3.3Å; V31-D33 PolarHBondContact O-N 3.39Å; V31-Y34 PolarHBondContact O-N 3.21Å; V31-F35 HydrophobicContact CG1-CB 4.44Å; V31-F35 WeakPolarHBondContact O-CA 3.19Å; V31-F35 VanDerWaalsContact O-CB 3.26Å; V31-F35 WeakPolarHBondContact O-CB 3.28Å; V31-F35 PolarHBondContact O-N 3.13Å
32D93Very high85.7Confident99 Ų9975.4 Ų75.453%0.52941%0.411SS..Hα-helixtrans-63.8-33.3179.1-73.1-25.2000112.7K4 S28 T29K4-D32 PolarHBondContact NZ-O 2.75Å; S28-D32 PolarHBondContact O-N 2.74Å; T29-D32 PolarHBondContact O-N 2.91Å
33D94Very high84.4Confident92 Ų9273.3 Ų73.349%0.49240%0.403SS..Hα-helixtrans-78.7-38.2-179.9-75.6-18.8000112.9K4 T29 F30 V31K4-D33 WeakPolarHBondContact CD-O 3.02Å; T29-D33 WeakPolarHBondContact O-CB 3.49Å; T29-D33 PolarHBondContact O-N 3.29Å; F30-D33 PolarHBondContact O-N 2.86Å; V31-D33 VanDerWaalsContact C-N 3.3Å; V31-D33 PolarHBondContact O-N 3.39Å
34Y92.6Very high83Confident58 Ų5878.2 Ų78.223%0.22742%0.423CS..Hα-helixtrans-103.3-15.1-171.5-74.2-93.4000114.7K4 H5 T10 A13 F30 V31K4-Y34 PolarHBondContact N-O 3.19Å; H5-Y34 HydrophobicContact CB-CD1 4.42Å; H5-Y34 AromaticContact CD2-CD1 3.51Å; H5-Y34 AromaticContact CD2-CE1 3.78Å; T10-Y34 HydrophobicContact CG2-CD1 3.94Å; T10-Y34 HydrophobicContact CG2-CG 4.21Å; A13-Y34 HydrophobicContact CB-CD1 4.34Å; A13-Y34 HydrophobicContact CB-CE1 3.5Å; A13-Y34 VanDerWaalsContact CB-CE1 3.5Å; A13-Y34 HydrophobicContact CB-CE2 3.99Å; A13-Y34 WeakPolarHBondContact CB-OH 3.38Å; F30-Y34 HydrophobicContact CD1-CD2 4.45Å; F30-Y34 AromaticContact CD2-CD2 3.68Å; F30-Y34 HydrophobicContact CD2-CD2 3.68Å; F30-Y34 AromaticContact CD2-CE2 3.83Å; F30-Y34 HydrophobicContact CD2-CE2 3.83Å; F30-Y34 HydrophobicContact CE1-CD2 4.29Å; F30-Y34 HydrophobicContact CE1-CG 4.32Å; F30-Y34 AromaticContact CE2-CD2 3.49Å; F30-Y34 HydrophobicContact CE2-CD2 3.49Å; F30-Y34 VanDerWaalsContact CE2-CD2 3.49Å; F30-Y34 AromaticContact CE2-CE2 3.58Å; F30-Y34 HydrophobicContact CE2-CE2 3.58Å; F30-Y34 HydrophobicContact CE2-CG 4.04Å; F30-Y34 HydrophobicContact CG-CD2 4.15Å; F30-Y34 HydrophobicContact CZ-CD1 4.4Å; F30-Y34 AromaticContact CZ-CD2 3.79Å; F30-Y34 HydrophobicContact CZ-CD2 3.79Å; F30-Y34 HydrophobicContact CZ-CE2 4.26Å; F30-Y34 AromaticContact CZ-CG 3.87Å; F30-Y34 HydrophobicContact CZ-CG 3.87Å; F30-Y34 WeakPolarHBondContact O-CB 3.42Å; F30-Y34 WeakPolarHBondContact O-CD2 3.28Å; F30-Y34 PolarHBondContact O-N 2.9Å; V31-Y34 PolarHBondContact O-N 3.21Å
35F90Very high82Confident50 Ų5075 Ų7522%0.21941%0.407CS..BIsolated β-bridgetrans-121.9142-179.8-60.6-98.4000110.2M1 S2 L3 K4 T10 F30 V31M1-F35 HydrophobicContact CB-CB 3.94Å; M1-F35 HydrophobicContact CB-CD1 3.95Å; M1-F35 HydrophobicContact CB-CG 4.36Å; M1-F35 HydrophobicContact CE-CB 4.3Å; M1-F35 HydrophobicContact CE-CD1 4.4Å; M1-F35 HydrophobicContact CE-CG 4.31Å; M1-F35 HydrophobicContact SD-CB 4.03Å; S2-F35 WeakPolarHBondContact O-CA 3.4Å; L3-F35 HydrophobicContact CD2-CD1 3.88Å; L3-F35 HydrophobicContact CD2-CE1 3.43Å; L3-F35 VanDerWaalsContact CD2-CE1 3.43Å; L3-F35 HydrophobicContact CD2-CZ 3.83Å; K4-F35 WeakPolarHBondContact CE-O 3.04Å; K4-F35 PolarHBondContact NZ-O 3.43Å; T10-F35 HydrophobicContact CG2-CE2 4.23Å; T10-F35 HydrophobicContact CG2-CZ 4.2Å; F30-F35 HydrophobicContact CD1-CE2 4.48Å; F30-F35 HydrophobicContact CE1-CE2 4.04Å; V31-F35 HydrophobicContact CG1-CB 4.44Å; V31-F35 WeakPolarHBondContact O-CA 3.19Å; V31-F35 VanDerWaalsContact O-CB 3.26Å; V31-F35 WeakPolarHBondContact O-CB 3.28Å; V31-F35 PolarHBondContact O-N 3.13Å
36N83.5Confident81.2Confident48 Ų4872.4 Ų72.426%0.25740%0.401SS..PPolyproline II helixtrans-76.5152.7165.8-64.7-57.4000109.4M1 S2 K4 S40M1-N36 WeakPolarHBondContact CB-O 3.35Å; M1-N36 WeakPolarHBondContact CG-O 3.2Å; S2-N36 PolarHBondContact O-N 3.48Å; S2-N36 WeakPolarHBondContact OG-CB 3.14Å; S2-N36 PolarHBondContact OG-ND2 3.38Å; K4-N36 WeakPolarHBondContact CE-OD1 3.39Å; K4-N36 WeakPolarHBondContact CG-OD1 3.42Å; N36-S40 WeakPolarHBondContact CB-OG 3.4Å
37P83.2Confident80.4Confident90 Ų9069.8 Ų69.858%0.58439%0.385SS*.PPolyproline II helixtrans-50.6147.7174.2-25.933.9000111G39 S40P37-G39 PolarHBondContact O-N 2.73Å; P37-S40 VanDerWaalsContact O-CB 3.27Å; P37-S40 WeakPolarHBondContact O-CB 3.25Å; P37-S40 PolarHBondContact O-N 3.2Å; P37-S40 VanDerWaalsContact O-N 3.15Å; P37-S40 PolarHBondContact O-OG 3.41Å
38P70.4Confident79.9Confident80 Ų8075 Ų7552%0.51941%0.408SS..THydrogen-bonded Turntrans-47139.1173.6-2633.1000110.6M1 S40 R91M1-P38 HydrophobicContact CG-CB 4.43Å; M1-P38 HydrophobicContact CG-CG 3.81Å; M1-P38 HydrophobicContact SD-CG 4.2Å; P38-S40 VanDerWaalsContact C-N 3.3Å; P38-S40 PolarHBondContact O-N 2.71Å; P38-R91 PolarHBondContact O-NH1 3.29Å
39G65.1Low79.4Confident14 Ų1473.3 Ų73.314%0.14440%0.398CS..THydrogen-bonded Turntrans80-5.3178.700000116.7P37 E41 L42P37-G39 PolarHBondContact O-N 2.73Å; G39-E41 WeakPolarHBondContact CA-OE1 3.32Å; G39-E41 WeakPolarHBondContact CA-OE2 3.17Å; G39-E41 PolarHBondContact N-OE1 3.42Å; G39-E41 VanDerWaalsContact N-OE1 3.07Å; G39-E41 PolarHBondContact N-OE2 2.94Å; G39-E41 VanDerWaalsContact N-OE2 3.13Å; G39-E41 PolarHBondContact O-N 2.84Å; G39-L42 VanDerWaalsContact O-CB 3.26Å; G39-L42 WeakPolarHBondContact O-CB 3.03Å; G39-L42 PolarHBondContact O-N 2.8Å
40S70.4Confident79Confident60 Ų6072.3 Ų72.342%0.4239%0.386SS..THydrogen-bonded Turntrans-59.3-23.1170.152.70000113.3S2 N36 P37 P38 L42S2-S40 PolarHBondContact OG-OG 3.17Å; N36-S40 WeakPolarHBondContact CB-OG 3.4Å; P37-S40 VanDerWaalsContact O-CB 3.27Å; P37-S40 WeakPolarHBondContact O-CB 3.25Å; P37-S40 PolarHBondContact O-N 3.2Å; P37-S40 VanDerWaalsContact O-N 3.15Å; P37-S40 PolarHBondContact O-OG 3.41Å; P38-S40 VanDerWaalsContact C-N 3.3Å; P38-S40 PolarHBondContact O-N 2.71Å; S40-L42 VanDerWaalsContact C-N 3.27Å
41E61.3Low78.6Confident67 Ų6773.5 Ų73.531%0.31340%0.399SS..THydrogen-bonded Turntrans-72.2-18.3172.267.4-76.1171.800113.9G39 V43G39-E41 WeakPolarHBondContact CA-OE1 3.32Å; G39-E41 WeakPolarHBondContact CA-OE2 3.17Å; G39-E41 PolarHBondContact N-OE1 3.42Å; G39-E41 VanDerWaalsContact N-OE1 3.07Å; G39-E41 PolarHBondContact N-OE2 2.94Å; G39-E41 VanDerWaalsContact N-OE2 3.13Å; G39-E41 PolarHBondContact O-N 2.84Å; E41-V43 PolarHBondContact O-N 3.38Å
42L60.5Low78.3Confident65 Ų6576.8 Ų76.834%0.3441%0.412SS..  trans-79.3116179.2-61.5178.3000109G39 S40 I85 R91G39-L42 VanDerWaalsContact O-CB 3.26Å; G39-L42 WeakPolarHBondContact O-CB 3.03Å; G39-L42 PolarHBondContact O-N 2.8Å; S40-L42 VanDerWaalsContact C-N 3.27Å; L42-I85 HydrophobicContact CD1-CD1 4.45Å; L42-R91 HydrophobicContact CD1-CB 3.91Å; L42-R91 HydrophobicContact CD1-CG 3.9Å; L42-R91 HydrophobicContact CD2-CB 4.3Å; L42-R91 WeakPolarHBondContact CD2-O 3.43Å; L42-R91 HydrophobicContact CG-CB 4.32Å
43V63.3Low78Confident86 Ų8678.7 Ų78.752%0.52142%0.416SS..  trans-86.1114.9167.9-177.20000106.9E41 F45 G81E41-V43 PolarHBondContact O-N 3.38Å; V43-F45 PolarHBondContact O-N 3.1Å; V43-G81 WeakPolarHBondContact O-CA 3.48Å
44E64.7Low77.6Confident189 Ų18974.9 Ų74.988%0.88340%0.396SS*.  trans-55.3127.6169.4-73.1-174.3179.300109
45F72Confident77.3Confident101 Ų10176.8 Ų76.844%0.44341%0.41SS..  trans-137.7129.7-177.8172.7-105.8000108.4V43 P47 C80 G81V43-F45 PolarHBondContact O-N 3.1Å; F45-P47 HydrophobicContact CD1-CG 4.28Å; F45-P47 VanDerWaalsContact CE1-CA 3.45Å; F45-P47 HydrophobicContact CE1-CB 4.03Å; F45-P47 HydrophobicContact CE1-CG 4.12Å; F45-C80 WeakPolarHBondContact O-CB 3.26Å; F45-G81 WeakPolarHBondContact CD1-O 3.41Å
46T77.4Confident77.1Confident93 Ų9374.9 Ų74.957%0.57140%0.402SS*.  trans-96.3118.1168.6-61.30000107.8E48 L77T46-E48 PolarHBondContact O-N 2.88Å; T46-L77 HydrophobicContact CG2-CD2 3.9Å
47P78Confident77.3Confident3 Ų373.1 Ų73.12%0.01939%0.392CS..  trans-61.9135.2177.9-19.330.7000111F45 A49 W50 C80 M110 T113F45-P47 HydrophobicContact CD1-CG 4.28Å; F45-P47 VanDerWaalsContact CE1-CA 3.45Å; F45-P47 HydrophobicContact CE1-CB 4.03Å; F45-P47 HydrophobicContact CE1-CG 4.12Å; P47-A49 PolarHBondContact O-N 3.48Å; P47-A49 VanDerWaalsContact O-N 3.07Å; P47-W50 HydrophobicContact CB-CB 4.49Å; P47-W50 VanDerWaalsContact O-CB 3.31Å; P47-W50 WeakPolarHBondContact O-CB 3.49Å; P47-W50 PolarHBondContact O-N 3.14Å; P47-C80 WeakPolarHBondContact CD-SG 3.2Å; P47-C80 HydrophobicContact CG-CB 4.18Å; P47-C80 WeakPolarHBondContact CG-SG 3.46Å; P47-M110 HydrophobicContact CB-CE 3.81Å; P47-M110 HydrophobicContact CG-CE 3.84Å; P47-T113 HydrophobicContact CB-CG2 4.07Å; P47-T113 VanDerWaalsContact CB-OG1 3.3Å; P47-T113 WeakPolarHBondContact CB-OG1 3.35Å; P47-T113 HydrophobicContact CG-CG2 4.26Å
48E81.8Confident77Confident189 Ų18975.1 Ų75.188%0.88339%0.394SS*.THydrogen-bonded Turntrans-55.4-29.4177.6-63.4-179.6171.400112.9T46 W50T46-E48 PolarHBondContact O-N 2.88Å; E48-W50 VanDerWaalsContact C-N 3.27Å; E48-W50 PolarHBondContact O-N 2.94Å
49A83.2Confident77Confident28 Ų2879.9 Ų79.923%0.23141%0.409CS..THydrogen-bonded Turntrans-74.9-13.9178.400000113.9P47 A51 M110 S112 T113P47-A49 PolarHBondContact O-N 3.48Å; P47-A49 VanDerWaalsContact O-N 3.07Å; A49-A51 PolarHBondContact O-N 2.91Å; A49-M110 HydrophobicContact CB-CB 4.08Å; A49-M110 HydrophobicContact CB-CG 4.36Å; A49-S112 WeakPolarHBondContact CB-OG 3.38Å; A49-T113 WeakPolarHBondContact CB-OG1 3.25Å
50W86.8Confident77.5Confident47 Ų4785.5 Ų85.518%0.17843%0.43CS..  trans-77.4115.9-176.1-16991.9000109.4P47 E48 Q52 H73 T74 L77 M110P47-W50 HydrophobicContact CB-CB 4.49Å; P47-W50 VanDerWaalsContact O-CB 3.31Å; P47-W50 WeakPolarHBondContact O-CB 3.49Å; P47-W50 PolarHBondContact O-N 3.14Å; E48-W50 VanDerWaalsContact C-N 3.27Å; E48-W50 PolarHBondContact O-N 2.94Å; W50-Q52 VanDerWaalsContact CH2-CA 3.47Å; W50-Q52 HydrophobicContact CH2-CB 3.9Å; W50-Q52 HydrophobicContact CH2-CG 4.09Å; W50-Q52 HydrophobicContact CZ3-CB 3.91Å; W50-H73 AromaticContact CD1-CE1 3.61Å; W50-H73 AromaticContact CD1-NE2 3.73Å; W50-H73 AromaticContact CE2-NE2 3.59Å; W50-H73 AromaticContact NE1-CD2 3.71Å; W50-H73 AromaticContact NE1-CE1 3.41Å; W50-H73 PolarHBondContact NE1-CE1 2.82Å; W50-H73 AromaticContact NE1-ND1 3.99Å; W50-H73 AromaticContact NE1-NE2 3.21Å; W50-H73 PolarHBondContact NE1-NE2 3.49Å; W50-H73 PolarHBondContact NE1-O 3.32Å; W50-T74 HydrophobicContact CZ2-CG2 4.49Å; W50-L77 HydrophobicContact CB-CD2 4.47Å; W50-L77 HydrophobicContact CD2-CD1 4.18Å; W50-L77 HydrophobicContact CD2-CD2 3.65Å; W50-L77 HydrophobicContact CD2-CG 4.01Å; W50-L77 HydrophobicContact CE3-CD1 4.32Å; W50-L77 HydrophobicContact CE3-CD2 4.07Å; W50-L77 HydrophobicContact CG-CD2 3.8Å; W50-L77 HydrophobicContact CG-CG 4.4Å; W50-L77 HydrophobicContact CH2-CD1 3.62Å; W50-L77 HydrophobicContact CH2-CG 4.44Å; W50-L77 HydrophobicContact CZ2-CD1 3.46Å; W50-L77 VanDerWaalsContact CZ2-CD1 3.46Å; W50-L77 HydrophobicContact CZ2-CD2 4.43Å; W50-L77 HydrophobicContact CZ2-CG 3.9Å; W50-L77 HydrophobicContact CZ3-CD1 4.06Å; W50-M110 HydrophobicContact CB-CE 3.9Å; W50-M110 HydrophobicContact CG-CE 4.38Å
51A87.1Confident78.3Confident44 Ų4483.6 Ų83.636%0.36442%0.415SS..  trans-104148.4168.100000109.3A49 P54 H73A49-A51 PolarHBondContact O-N 2.91Å; A51-P54 HydrophobicContact CB-CB 4.26Å; A51-P54 WeakPolarHBondContact O-CD 3.35Å; A51-H73 PolarHBondContact O-NE2 3.43Å
52Q85.7Confident79.5Confident110 Ų11082.8 Ų82.851%0.51442%0.415SS..SBendtrans-67-40.4175.5-170.4177.420.900111.7W50 F70W50-Q52 VanDerWaalsContact CH2-CA 3.47Å; W50-Q52 HydrophobicContact CH2-CB 3.9Å; W50-Q52 HydrophobicContact CH2-CG 4.09Å; W50-Q52 HydrophobicContact CZ3-CB 3.91Å; Q52-F70 HydrophobicContact CG-CE2 4.36Å; Q52-F70 WeakPolarHBondContact O-CE2 3.41Å
53F87.1Confident80.8Confident138 Ų13885 Ų8561%0.60542%0.424SS*.SBendtrans-12973.1179.4-58.2-73.1000110F70F53-F70 HydrophobicContact CD1-CD2 4.31Å; F53-F70 HydrophobicContact CD1-CE2 4.05Å; F53-F70 HydrophobicContact CE1-CD2 4.06Å; F53-F70 AromaticContact CE1-CE2 3.58Å; F53-F70 HydrophobicContact CE1-CE2 3.58Å; F53-F70 HydrophobicContact CE1-CZ 4.36Å; F53-F70 HydrophobicContact CZ-CE2 4.19Å
54P85.9Confident82Confident12 Ų1284.1 Ų84.18%0.07842%0.42CS..  trans-69.7156.1175.829.9-35.2000111A51 F56 L57A51-P54 HydrophobicContact CB-CB 4.26Å; A51-P54 WeakPolarHBondContact O-CD 3.35Å; P54-F56 HydrophobicContact CB-CD1 3.69Å; P54-F56 HydrophobicContact CB-CE1 3.68Å; P54-F56 HydrophobicContact CG-CD1 3.46Å; P54-F56 VanDerWaalsContact CG-CD1 3.46Å; P54-F56 HydrophobicContact CG-CE1 3.03Å; P54-F56 HydrophobicContact CG-CG 4.37Å; P54-F56 HydrophobicContact CG-CZ 3.67Å; P54-F56 PolarHBondContact O-N 2.84Å; P54-L57 HydrophobicContact CG-CD1 4.11Å; P54-L57 HydrophobicContact CG-CG 4.08Å; P54-L57 WeakPolarHBondContact O-CB 3.43Å; P54-L57 PolarHBondContact O-N 3.2Å
55D86.7Confident83.4Confident99 Ų9975.3 Ų75.353%0.52938%0.379SS..THydrogen-bonded Turntrans-54.6-20.6-175.7-511.9000114.8L57 K60D55-L57 VanDerWaalsContact C-N 3.28Å; D55-K60 WeakPolarHBondContact O-CE 3.33Å; D55-K60 PolarHBondContact O-NZ 2.91Å
56F85.3Confident84.3Confident9 Ų971.3 Ų71.34%0.03936%0.362CS..THydrogen-bonded Turntrans-74.4-19.2175.678.6-99.1000113.1P54 L69 H73 S108 M348 L352P54-F56 HydrophobicContact CB-CD1 3.69Å; P54-F56 HydrophobicContact CB-CE1 3.68Å; P54-F56 HydrophobicContact CG-CD1 3.46Å; P54-F56 VanDerWaalsContact CG-CD1 3.46Å; P54-F56 HydrophobicContact CG-CE1 3.03Å; P54-F56 HydrophobicContact CG-CG 4.37Å; P54-F56 HydrophobicContact CG-CZ 3.67Å; P54-F56 PolarHBondContact O-N 2.84Å; F56-L69 HydrophobicContact CD2-CD2 4.16Å; F56-L69 HydrophobicContact CE2-CD1 4.3Å; F56-L69 HydrophobicContact CE2-CD2 4.28Å; F56-L69 HydrophobicContact CE2-CG 4.18Å; F56-H73 AromaticContact CE1-ND1 3.97Å; F56-H73 HydrophobicContact CZ-CB 4Å; F56-H73 AromaticContact CZ-CG 3.67Å; F56-H73 AromaticContact CZ-ND1 3.51Å; F56-S108 VanDerWaalsContact CE1-O 3.31Å; F56-S108 WeakPolarHBondContact CE1-O 3.33Å; F56-M348 HydrophobicContact CE2-CE 3.96Å; F56-M348 HydrophobicContact CZ-CE 3.96Å; F56-L352 HydrophobicContact CD2-CD1 4.38Å; F56-L352 HydrophobicContact CD2-CD2 4.18Å
57L86.9Confident85Confident11 Ų1170.9 Ų70.96%0.05836%0.356CS..SBendtrans-93.3-7176.5-66.1-174000114.2P54 D55 E59 N66 L69 F70 H73P54-L57 HydrophobicContact CG-CD1 4.11Å; P54-L57 HydrophobicContact CG-CG 4.08Å; P54-L57 WeakPolarHBondContact O-CB 3.43Å; P54-L57 PolarHBondContact O-N 3.2Å; D55-L57 VanDerWaalsContact C-N 3.28Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 3.27Å; L57-N66 PolarHBondContact O-ND2 3.43Å; L57-L69 HydrophobicContact CD2-CB 4.18Å; L57-L69 HydrophobicContact CD2-CD2 3.62Å; L57-L69 HydrophobicContact CD2-CG 3.52Å; L57-F70 HydrophobicContact CD1-CB 4.19Å; L57-F70 HydrophobicContact CD1-CD2 3.71Å; L57-F70 HydrophobicContact CD1-CG 4.41Å; L57-H73 HydrophobicContact CD1-CB 4.44Å
58E78Confident85.8Confident133 Ų13370.9 Ų70.962%0.62136%0.356SS*.SBendtrans-63.580.7-179.5-73.9-177.216900112K60E58-K60 VanDerWaalsContact O-CG 3.28Å; E58-K60 WeakPolarHBondContact O-CG 3.23Å; E58-K60 PolarHBondContact O-N 2.79Å
59E69.1Low86.4Confident179 Ų17961.9 Ų61.984%0.83631%0.314SS*.SBendtrans37.336.4177.4-65.4-172177.800115.2L57 L61L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 3.27Å; E59-L61 VanDerWaalsContact C-N 3.32Å
60K76.4Confident86.9Confident132 Ų13263.5 Ų63.557%0.57432%0.316SS*.  trans-74.6-28-178.9-64.3-169.5177.5165.10112.1D55 E58D55-K60 WeakPolarHBondContact O-CE 3.33Å; D55-K60 PolarHBondContact O-NZ 2.91Å; E58-K60 VanDerWaalsContact O-CG 3.28Å; E58-K60 WeakPolarHBondContact O-CG 3.23Å; E58-K60 PolarHBondContact O-N 2.79Å
61L86.7Confident87.2Confident21 Ų2163.6 Ų63.611%0.1132%0.318CS..SBendtrans-109.8145.3-178.6-56.8-169.7000110.8E59 L65 N66 L69 L351 A355E59-L61 VanDerWaalsContact C-N 3.32Å; L61-L65 HydrophobicContact CB-CB 4.21Å; L61-L65 HydrophobicContact CD1-CB 4.33Å; L61-N66 HydrophobicContact CB-CB 4.1Å; L61-N66 WeakPolarHBondContact O-CB 3.47Å; L61-L69 HydrophobicContact CD1-CB 4.3Å; L61-L69 HydrophobicContact CD1-CD2 3.72Å; L61-L69 HydrophobicContact CG-CD2 4.35Å; L61-L351 HydrophobicContact CD1-CD1 4.21Å; L61-L351 HydrophobicContact CD1-CD2 4.29Å; L61-L351 HydrophobicContact CD1-CG 3.89Å; L61-A355 HydrophobicContact CD1-CB 4.34Å; L61-A355 HydrophobicContact CD2-CB 3.25Å; L61-A355 HydrophobicContact CG-CB 4.41Å
62P86.8Confident87.5Confident50 Ų5061.5 Ų61.533%0.32530%0.301SS..  trans-69.4151.317227.7-31.3000110.8L65 N66 E359P62-L65 WeakPolarHBondContact O-CA 3.28Å; P62-L65 WeakPolarHBondContact O-CB 3.32Å; P62-L65 PolarHBondContact O-N 3.27Å; P62-N66 PolarHBondContact O-N 3.38Å; P62-E359 VanDerWaalsContact CG-CD 3.42Å; P62-E359 HydrophobicContact CG-CG 4.1Å
63Q87.7Confident87.8Confident110 Ų11056.3 Ų56.351%0.51428%0.277SS..THydrogen-bonded Turntrans-67.1143.6170.6-66.2-625.200111.4D67Q63-D67 VanDerWaalsContact CD-CG 3.49Å; Q63-D67 VanDerWaalsContact CD-OD1 3.3Å; Q63-D67 PolarHBondContact NE2-OD1 2.99Å; Q63-D67 PolarHBondContact OE1-OD1 3.18Å; Q63-D67 VanDerWaalsContact OE1-OD1 3.13Å; Q63-D67 PolarHBondContact OE1-OD2 2.93Å; Q63-D67 VanDerWaalsContact OE1-OD2 3.13Å
64P89.8Confident88Confident68 Ų6852 Ų5244%0.44226%0.262SS..THydrogen-bonded Turncis-89.29.4537-38.4000115.1N66 D67 W68 Y305P64-N66 VanDerWaalsContact C-N 3.34Å; P64-N66 PolarHBondContact O-N 3.37Å; P64-D67 PolarHBondContact O-N 3.37Å; P64-W68 PolarHBondContact O-N 2.95Å; P64-Y305 VanDerWaalsContact CG-OH 3.23Å; P64-Y305 WeakPolarHBondContact CG-OH 3.3Å
65L92.2Very high88.2Confident4 Ų452.5 Ų52.52%0.02126%0.263CS..Hα-helixtrans-70.8-31-174-60.6-175.3000112.9L61 P62 W68 L69 Y305 F358 E359 L362L61-L65 HydrophobicContact CB-CB 4.21Å; L61-L65 HydrophobicContact CD1-CB 4.33Å; P62-L65 WeakPolarHBondContact O-CA 3.28Å; P62-L65 WeakPolarHBondContact O-CB 3.32Å; P62-L65 PolarHBondContact O-N 3.27Å; L65-W68 PolarHBondContact O-N 3.47Å; L65-L69 WeakPolarHBondContact O-CB 3.43Å; L65-L69 PolarHBondContact O-N 3.31Å; L65-Y305 HydrophobicContact CD2-CE2 4.45Å; L65-F358 HydrophobicContact CD1-CD1 3.98Å; L65-F358 HydrophobicContact CD1-CE1 4.35Å; L65-F358 HydrophobicContact CD2-CD1 3.99Å; L65-F358 HydrophobicContact CD2-CE1 3.49Å; L65-F358 VanDerWaalsContact CD2-CE1 3.49Å; L65-F358 HydrophobicContact CD2-CZ 4.37Å; L65-E359 HydrophobicContact CD1-CB 4.21Å; L65-L362 HydrophobicContact CD1-CD1 4.43Å; L65-L362 HydrophobicContact CD2-CD1 3.72Å; L65-L362 HydrophobicContact CG-CD1 4.45Å
66N91.5Very high88.2Confident18 Ų1847.8 Ų47.810%0.09624%0.238CC..Hα-helixtrans-67.5-40.8176.1-151.157.6000111.6L57 L61 P62 P64 L69 F70L57-N66 PolarHBondContact O-ND2 3.43Å; L61-N66 HydrophobicContact CB-CB 4.1Å; L61-N66 WeakPolarHBondContact O-CB 3.47Å; P62-N66 PolarHBondContact O-N 3.38Å; P64-N66 VanDerWaalsContact C-N 3.34Å; P64-N66 PolarHBondContact O-N 3.37Å; N66-L69 PolarHBondContact O-N 3.11Å; N66-F70 PolarHBondContact O-N 3.06Å
67D92.6Very high88.2Confident83 Ų8350.1 Ų50.144%0.44425%0.251SS..Hα-helixtrans-61.5-45174.6-68.9-14.2000111.3Q63 P64 L69 F70 E71Q63-D67 VanDerWaalsContact CD-CG 3.49Å; Q63-D67 VanDerWaalsContact CD-OD1 3.3Å; Q63-D67 PolarHBondContact NE2-OD1 2.99Å; Q63-D67 PolarHBondContact OE1-OD1 3.18Å; Q63-D67 VanDerWaalsContact OE1-OD1 3.13Å; Q63-D67 PolarHBondContact OE1-OD2 2.93Å; Q63-D67 VanDerWaalsContact OE1-OD2 3.13Å; P64-D67 PolarHBondContact O-N 3.37Å; D67-L69 VanDerWaalsContact C-N 3.35Å; D67-L69 PolarHBondContact O-N 3.2Å; D67-F70 WeakPolarHBondContact O-CB 3.28Å; D67-F70 PolarHBondContact O-N 2.94Å; D67-E71 WeakPolarHBondContact O-CG 3.49Å; D67-E71 PolarHBondContact O-N 3.48Å
68W94.7Very high88Confident4 Ų453.8 Ų53.82%0.01528%0.278CS..Hα-helixtrans-62.9-41.5176.2-176.641000112.1P64 L65 F70 E71 L72 L301 Y305 Y308 M314 T347 L351 F358P64-W68 PolarHBondContact O-N 2.95Å; L65-W68 PolarHBondContact O-N 3.47Å; W68-F70 VanDerWaalsContact C-N 3.34Å; W68-F70 PolarHBondContact O-N 2.87Å; W68-E71 PolarHBondContact O-N 3.21Å; W68-L72 HydrophobicContact CD2-CD1 4.11Å; W68-L72 HydrophobicContact CZ2-CD1 4.16Å; W68-L72 VanDerWaalsContact O-CG 3.31Å; W68-L72 WeakPolarHBondContact O-CG 3.37Å; W68-L72 PolarHBondContact O-N 3.45Å; W68-L301 HydrophobicContact CH2-CD2 4.23Å; W68-L301 HydrophobicContact CZ3-CD2 4.23Å; W68-Y305 HydrophobicContact CB-CE2 4.29Å; W68-Y305 AromaticContact CD2-CD2 3.58Å; W68-Y305 HydrophobicContact CD2-CD2 3.58Å; W68-Y305 HydrophobicContact CD2-CE2 4.21Å; W68-Y305 AromaticContact CE3-CD2 3.49Å; W68-Y305 HydrophobicContact CE3-CD2 3.49Å; W68-Y305 VanDerWaalsContact CE3-CD2 3.49Å; W68-Y305 HydrophobicContact CE3-CE2 4.21Å; W68-Y305 HydrophobicContact CE3-CG 4.3Å; W68-Y305 HydrophobicContact CG-CD2 4.05Å; W68-Y305 HydrophobicContact CG-CE2 4.26Å; W68-Y305 HydrophobicContact CH2-CD2 4.28Å; W68-Y305 HydrophobicContact CH2-CG 4.49Å; W68-Y305 HydrophobicContact CZ2-CD2 4.36Å; W68-Y305 AromaticContact CZ3-CD2 3.87Å; W68-Y305 HydrophobicContact CZ3-CD2 3.87Å; W68-Y305 HydrophobicContact CZ3-CG 4.24Å; W68-Y308 AromaticContact CD1-CD1 3.35Å; W68-Y308 AromaticContact CD1-CE1 3.48Å; W68-Y308 VanDerWaalsContact CD1-CE1 3.48Å; W68-Y308 AromaticContact CD1-CG 3.94Å; W68-Y308 HydrophobicContact CG-CD1 4.4Å; W68-Y308 AromaticContact NE1-CD1 3.35Å; W68-Y308 VanDerWaalsContact NE1-CD1 3.35Å; W68-Y308 AromaticContact NE1-CD2 3.98Å; W68-Y308 AromaticContact NE1-CE1 3.85Å; W68-Y308 AromaticContact NE1-CG 3.43Å; W68-M314 HydrophobicContact CZ2-CE 4.45Å; W68-M314 HydrophobicContact CZ2-SD 4.43Å; W68-T347 HydrophobicContact CH2-CG2 3.48Å; W68-T347 VanDerWaalsContact CH2-CG2 3.48Å; W68-T347 HydrophobicContact CZ2-CG2 3.64Å; W68-T347 HydrophobicContact CZ3-CG2 4.37Å; W68-L351 HydrophobicContact CD2-CD2 4.37Å; W68-L351 HydrophobicContact CE3-CD1 4.37Å; W68-L351 HydrophobicContact CE3-CD2 3.63Å; W68-L351 HydrophobicContact CZ3-CD1 4.24Å; W68-L351 HydrophobicContact CZ3-CD2 3.96Å; W68-F358 HydrophobicContact CE3-CE1 4.35Å; W68-F358 AromaticContact CZ3-CE1 3.82Å; W68-F358 HydrophobicContact CZ3-CE1 3.82Å; W68-F358 HydrophobicContact CZ3-CZ 4.26Å
69L93.9Very high88.1Confident0 Ų047.8 Ų47.80%025%0.25CC..Hα-helixtrans-62.8-40.1176.1-178.764000112F56 L57 L61 L65 N66 D67 L72 H73 M348 L351 L352F56-L69 HydrophobicContact CD2-CD2 4.16Å; F56-L69 HydrophobicContact CE2-CD1 4.3Å; F56-L69 HydrophobicContact CE2-CD2 4.28Å; F56-L69 HydrophobicContact CE2-CG 4.18Å; L57-L69 HydrophobicContact CD2-CB 4.18Å; L57-L69 HydrophobicContact CD2-CD2 3.62Å; L57-L69 HydrophobicContact CD2-CG 3.52Å; L61-L69 HydrophobicContact CD1-CB 4.3Å; L61-L69 HydrophobicContact CD1-CD2 3.72Å; L61-L69 HydrophobicContact CG-CD2 4.35Å; L65-L69 WeakPolarHBondContact O-CB 3.43Å; L65-L69 PolarHBondContact O-N 3.31Å; N66-L69 PolarHBondContact O-N 3.11Å; D67-L69 VanDerWaalsContact C-N 3.35Å; D67-L69 PolarHBondContact O-N 3.2Å; L69-L72 PolarHBondContact O-N 3.27Å; L69-H73 PolarHBondContact O-N 3.05Å; L69-M348 HydrophobicContact CD1-CE 4.06Å; L69-M348 HydrophobicContact CD1-CG 4.31Å; L69-L351 HydrophobicContact CB-CD2 3.85Å; L69-L351 HydrophobicContact CD1-CD2 4Å; L69-L351 HydrophobicContact CG-CD2 4.43Å; L69-L352 HydrophobicContact CD1-CD2 4.46Å; L69-L352 HydrophobicContact CD1-CG 4.26Å; L69-L352 HydrophobicContact CD2-CD2 3.74Å; L69-L352 HydrophobicContact CD2-CG 4.4Å
70F93.5Very high88.4Confident62 Ų6239.9 Ų39.927%0.27221%0.214SC..Hα-helixtrans-60.1-46.3172.6173.4-92000110.9Q52 F53 L57 N66 D67 W68 L72 H73 T74Q52-F70 HydrophobicContact CG-CE2 4.36Å; Q52-F70 WeakPolarHBondContact O-CE2 3.41Å; F53-F70 HydrophobicContact CD1-CD2 4.31Å; F53-F70 HydrophobicContact CD1-CE2 4.05Å; F53-F70 HydrophobicContact CE1-CD2 4.06Å; F53-F70 AromaticContact CE1-CE2 3.58Å; F53-F70 HydrophobicContact CE1-CE2 3.58Å; F53-F70 HydrophobicContact CE1-CZ 4.36Å; F53-F70 HydrophobicContact CZ-CE2 4.19Å; L57-F70 HydrophobicContact CD1-CB 4.19Å; L57-F70 HydrophobicContact CD1-CD2 3.71Å; L57-F70 HydrophobicContact CD1-CG 4.41Å; N66-F70 PolarHBondContact O-N 3.06Å; D67-F70 WeakPolarHBondContact O-CB 3.28Å; D67-F70 PolarHBondContact O-N 2.94Å; W68-F70 VanDerWaalsContact C-N 3.34Å; W68-F70 PolarHBondContact O-N 2.87Å; F70-L72 PolarHBondContact O-N 2.99Å; F70-H73 WeakPolarHBondContact O-CB 3.34Å; F70-H73 PolarHBondContact O-N 3.4Å; F70-H73 VanDerWaalsContact O-N 3.11Å; F70-T74 HydrophobicContact CD1-CG2 4.22Å; F70-T74 HydrophobicContact CE1-CG2 3.78Å; F70-T74 HydrophobicContact CE2-CG2 4.48Å; F70-T74 HydrophobicContact CZ-CG2 3.92Å; F70-T74 WeakPolarHBondContact O-CG2 3.44Å; F70-T74 PolarHBondContact O-N 2.9Å
71E93.4Very high88Confident49 Ų4934 Ų3423%0.22919%0.191CC..Hα-helixtrans-62-43.1178.1-70.1170166.800112D67 W68 H73 T74 I75 Y308 R312D67-E71 WeakPolarHBondContact O-CG 3.49Å; D67-E71 PolarHBondContact O-N 3.48Å; W68-E71 PolarHBondContact O-N 3.21Å; E71-H73 VanDerWaalsContact C-N 3.3Å; E71-H73 PolarHBondContact O-N 3.39Å; E71-T74 PolarHBondContact O-N 3.38Å; E71-T74 VanDerWaalsContact O-N 3.14Å; E71-T74 PolarHBondContact O-OG1 3.46Å; E71-I75 PolarHBondContact O-N 2.89Å; E71-Y308 WeakPolarHBondContact CB-OH 3.28Å; E71-Y308 WeakPolarHBondContact OE2-CE1 3.39Å; E71-Y308 PolarHBondContact OE2-OH 3.26Å; E71-R312 IonicContact OE1-CZ 3.98Å; E71-R312 IonicContact OE1-NH2 3.58Å; E71-R312 PolarHBondContact OE1-NH2 2.89Å; E71-R312 IonicContact OE2-CZ 3.91Å; E71-R312 IonicContact OE2-NH1 2.74Å; E71-R312 PolarHBondContact OE2-NH1 2.99Å; E71-R312 IonicContact OE2-NH2 2.91Å; E71-R312 PolarHBondContact OE2-NH2 2.99Å
72L93.7Very high86.8Confident0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-59.1-39.5172.6-66.8174.6000112.1W68 L69 F70 T74 I75 M314 N344 T347 M348 L351W68-L72 HydrophobicContact CD2-CD1 4.11Å; W68-L72 HydrophobicContact CZ2-CD1 4.16Å; W68-L72 VanDerWaalsContact O-CG 3.31Å; W68-L72 WeakPolarHBondContact O-CG 3.37Å; W68-L72 PolarHBondContact O-N 3.45Å; L69-L72 PolarHBondContact O-N 3.27Å; F70-L72 PolarHBondContact O-N 2.99Å; L72-T74 VanDerWaalsContact C-N 3.34Å; L72-T74 PolarHBondContact O-N 2.98Å; L72-I75 HydrophobicContact CD2-CD1 4.2Å; L72-I75 WeakPolarHBondContact O-CB 3.34Å; L72-I75 PolarHBondContact O-N 3.4Å; L72-M314 HydrophobicContact CD2-CE 3.81Å; L72-M314 HydrophobicContact CD2-CG 3.7Å; L72-M314 HydrophobicContact CD2-SD 3.66Å; L72-N344 WeakPolarHBondContact CB-OD1 3.42Å; L72-N344 VanDerWaalsContact CD2-OD1 3.28Å; L72-N344 WeakPolarHBondContact CD2-OD1 3.49Å; L72-N344 PolarHBondContact O-ND2 3.15Å; L72-N344 PolarHBondContact O-OD1 2.91Å; L72-T347 HydrophobicContact CD1-CG2 3.88Å; L72-M348 HydrophobicContact CB-CG 3.66Å; L72-M348 HydrophobicContact CB-SD 4Å; L72-M348 HydrophobicContact CD1-CG 3.95Å; L72-M348 HydrophobicContact CG-CG 4.4Å; L72-L351 HydrophobicContact CD1-CD2 4.23Å
73H91.9Very high86Confident0 Ų037.1 Ų37.10%020%0.198CC..Hα-helixtrans-65.3-36.4175.5-17957.4000112.5W50 A51 F56 L57 L69 F70 E71 I75 W76 M348W50-H73 AromaticContact CD1-CE1 3.61Å; W50-H73 AromaticContact CD1-NE2 3.73Å; W50-H73 AromaticContact CE2-NE2 3.59Å; W50-H73 AromaticContact NE1-CD2 3.71Å; W50-H73 AromaticContact NE1-CE1 3.41Å; W50-H73 PolarHBondContact NE1-CE1 2.82Å; W50-H73 AromaticContact NE1-ND1 3.99Å; W50-H73 AromaticContact NE1-NE2 3.21Å; W50-H73 PolarHBondContact NE1-NE2 3.49Å; W50-H73 PolarHBondContact NE1-O 3.32Å; A51-H73 PolarHBondContact O-NE2 3.43Å; F56-H73 AromaticContact CE1-ND1 3.97Å; F56-H73 HydrophobicContact CZ-CB 4Å; F56-H73 AromaticContact CZ-CG 3.67Å; F56-H73 AromaticContact CZ-ND1 3.51Å; L57-H73 HydrophobicContact CD1-CB 4.44Å; L69-H73 PolarHBondContact O-N 3.05Å; F70-H73 WeakPolarHBondContact O-CB 3.34Å; F70-H73 PolarHBondContact O-N 3.4Å; F70-H73 VanDerWaalsContact O-N 3.11Å; E71-H73 VanDerWaalsContact C-N 3.3Å; E71-H73 PolarHBondContact O-N 3.39Å; H73-I75 VanDerWaalsContact C-N 3.29Å; H73-I75 PolarHBondContact O-N 3.44Å; H73-W76 AromaticContact ND1-CD1 3.73Å; H73-W76 VanDerWaalsContact O-CD1 3.29Å; H73-W76 PolarHBondContact O-N 3.42Å; H73-M348 HydrophobicContact CB-CE 3.95Å
74T90.7Very high85.7Confident48 Ų4832.1 Ų32.129%0.29418%0.175SC..Hα-helixtrans-68.9-25.5176.564.90000113.4W50 F70 E71 L72 W76 L77W50-T74 HydrophobicContact CZ2-CG2 4.49Å; F70-T74 HydrophobicContact CD1-CG2 4.22Å; F70-T74 HydrophobicContact CE1-CG2 3.78Å; F70-T74 HydrophobicContact CE2-CG2 4.48Å; F70-T74 HydrophobicContact CZ-CG2 3.92Å; F70-T74 WeakPolarHBondContact O-CG2 3.44Å; F70-T74 PolarHBondContact O-N 2.9Å; E71-T74 PolarHBondContact O-N 3.38Å; E71-T74 VanDerWaalsContact O-N 3.14Å; E71-T74 PolarHBondContact O-OG1 3.46Å; L72-T74 VanDerWaalsContact C-N 3.34Å; L72-T74 PolarHBondContact O-N 2.98Å; T74-W76 PolarHBondContact O-N 2.87Å; T74-L77 WeakPolarHBondContact O-CB 3.46Å; T74-L77 PolarHBondContact O-N 3.1Å
75I90Very high85.4Confident22 Ų2229.8 Ų29.811%0.11316%0.159CC..Hα-helixtrans-58.3-31.5175.9-67.9173.3000110.9E71 L72 H73 L77 S78 L79 M314 N344E71-I75 PolarHBondContact O-N 2.89Å; L72-I75 HydrophobicContact CD2-CD1 4.2Å; L72-I75 WeakPolarHBondContact O-CB 3.34Å; L72-I75 PolarHBondContact O-N 3.4Å; H73-I75 VanDerWaalsContact C-N 3.29Å; H73-I75 PolarHBondContact O-N 3.44Å; I75-L77 VanDerWaalsContact C-N 3.25Å; I75-L77 PolarHBondContact O-N 3.33Å; I75-S78 PolarHBondContact O-N 3.03Å; I75-S78 PolarHBondContact O-OG 2.75Å; I75-L79 HydrophobicContact CG2-CD1 3.93Å; I75-L79 HydrophobicContact CG2-CG 4.17Å; I75-L79 PolarHBondContact O-N 3.01Å; I75-M314 HydrophobicContact CD1-CB 4.22Å; I75-M314 HydrophobicContact CD1-CG 3.56Å; I75-N344 HydrophobicContact CG2-CB 4.47Å
76W87.9Confident85.2Confident0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-54.6-42.1176.1-63.9127.4000112.1H73 T74 S78 L79 C80 I84 I101 L105 S108 N344 M348H73-W76 AromaticContact ND1-CD1 3.73Å; H73-W76 VanDerWaalsContact O-CD1 3.29Å; H73-W76 PolarHBondContact O-N 3.42Å; T74-W76 PolarHBondContact O-N 2.87Å; W76-S78 VanDerWaalsContact C-N 3.28Å; W76-S78 PolarHBondContact O-N 3.12Å; W76-L79 HydrophobicContact CE3-CD1 4.15Å; W76-L79 HydrophobicContact CZ3-CD1 4.2Å; W76-L79 CarbonylContact O-C 3.42Å; W76-L79 PolarHBondContact O-N 3.28Å; W76-C80 PolarHBondContact O-N 2.92Å; W76-C80 PolarHBondContact O-SG 3.29Å; W76-I84 HydrophobicContact CE3-CG2 3.76Å; W76-I84 HydrophobicContact CZ3-CG2 4.02Å; W76-I101 HydrophobicContact CH2-CG2 4.33Å; W76-I101 HydrophobicContact CZ3-CB 4.36Å; W76-I101 HydrophobicContact CZ3-CG1 4.28Å; W76-I101 HydrophobicContact CZ3-CG2 3.82Å; W76-L105 HydrophobicContact CD2-CD2 3.7Å; W76-L105 HydrophobicContact CE3-CD2 4Å; W76-L105 HydrophobicContact CG-CD2 3.97Å; W76-L105 HydrophobicContact CZ2-CD2 4.5Å; W76-S108 PolarHBondContact NE1-OG 3.41Å; W76-N344 HydrophobicContact CH2-CB 4.01Å; W76-N344 HydrophobicContact CZ2-CB 4.25Å; W76-N344 VanDerWaalsContact CZ2-ND2 3.26Å; W76-N344 WeakPolarHBondContact CZ2-ND2 3.26Å; W76-N344 HydrophobicContact CZ3-CB 4.42Å; W76-M348 HydrophobicContact CZ2-SD 3.99Å; W76-M348 PolarHBondContact NE1-SD 3.34Å
77L84.5Confident84.7Confident59 Ų5928.9 Ų28.931%0.30915%0.154SC..Hα-helixtrans-58.3-40.1177.5-66.9177.2000112.4T46 W50 T74 I75 L79 C80T46-L77 HydrophobicContact CG2-CD2 3.9Å; W50-L77 HydrophobicContact CB-CD2 4.47Å; W50-L77 HydrophobicContact CD2-CD1 4.18Å; W50-L77 HydrophobicContact CD2-CD2 3.65Å; W50-L77 HydrophobicContact CD2-CG 4.01Å; W50-L77 HydrophobicContact CE3-CD1 4.32Å; W50-L77 HydrophobicContact CE3-CD2 4.07Å; W50-L77 HydrophobicContact CG-CD2 3.8Å; W50-L77 HydrophobicContact CG-CG 4.4Å; W50-L77 HydrophobicContact CH2-CD1 3.62Å; W50-L77 HydrophobicContact CH2-CG 4.44Å; W50-L77 HydrophobicContact CZ2-CD1 3.46Å; W50-L77 VanDerWaalsContact CZ2-CD1 3.46Å; W50-L77 HydrophobicContact CZ2-CD2 4.43Å; W50-L77 HydrophobicContact CZ2-CG 3.9Å; W50-L77 HydrophobicContact CZ3-CD1 4.06Å; T74-L77 WeakPolarHBondContact O-CB 3.46Å; T74-L77 PolarHBondContact O-N 3.1Å; I75-L77 VanDerWaalsContact C-N 3.25Å; I75-L77 PolarHBondContact O-N 3.33Å; L77-L79 PolarHBondContact O-N 2.92Å; L77-C80 PolarHBondContact O-N 2.66Å
78S82.1Confident84Confident88 Ų8826.6 Ų26.662%0.61515%0.151SC*.Hα-helixtrans-70.2-18.6178.373.90000113.9I75 W76I75-S78 PolarHBondContact O-N 3.03Å; I75-S78 PolarHBondContact O-OG 2.75Å; W76-S78 VanDerWaalsContact C-N 3.28Å; W76-S78 PolarHBondContact O-N 3.12Å
79L80.4Confident83.2Confident6 Ų630.4 Ų30.43%0.03117%0.169CC..Hα-helixtrans-101.3-5.5178.7-61.3179.8000112.8I75 W76 L77 G81 I84 I85 G87 G339I75-L79 HydrophobicContact CG2-CD1 3.93Å; I75-L79 HydrophobicContact CG2-CG 4.17Å; I75-L79 PolarHBondContact O-N 3.01Å; W76-L79 HydrophobicContact CE3-CD1 4.15Å; W76-L79 HydrophobicContact CZ3-CD1 4.2Å; W76-L79 CarbonylContact O-C 3.42Å; W76-L79 PolarHBondContact O-N 3.28Å; L77-L79 PolarHBondContact O-N 2.92Å; L79-G81 PolarHBondContact O-N 2.73Å; L79-I84 HydrophobicContact CB-CG2 3.88Å; L79-I84 WeakPolarHBondContact O-CA 3.27Å; L79-I85 HydrophobicContact CB-CG1 4.45Å; L79-I85 HydrophobicContact CD2-CG1 4.28Å; L79-I85 PolarHBondContact O-N 3.42Å; L79-G87 VanDerWaalsContact CD2-CA 3.43Å; L79-G339 VanDerWaalsContact CD1-O 3.31Å; L79-G339 WeakPolarHBondContact CD1-O 3.25Å; L79-G339 WeakPolarHBondContact CD2-O 3.35Å
80C76.3Confident82.4Confident13 Ų1331.5 Ų31.59%0.08817%0.173CC..BIsolated β-bridgetrans-81122.1-176.7-73.50000111.5F45 P47 W76 L77 I84F45-C80 WeakPolarHBondContact O-CB 3.26Å; P47-C80 WeakPolarHBondContact CD-SG 3.2Å; P47-C80 HydrophobicContact CG-CB 4.18Å; P47-C80 WeakPolarHBondContact CG-SG 3.46Å; W76-C80 PolarHBondContact O-N 2.92Å; W76-C80 PolarHBondContact O-SG 3.29Å; L77-C80 PolarHBondContact O-N 2.66Å; C80-I84 VanDerWaalsContact SG-CD1 3.53Å
81G66.8Low81.4Confident8 Ų833 Ų338%0.08218%0.177CC..SBendtrans-130.9-140.3154.300000109.2V43 F45 L79 F83V43-G81 WeakPolarHBondContact O-CA 3.48Å; F45-G81 WeakPolarHBondContact CD1-O 3.41Å; L79-G81 PolarHBondContact O-N 2.73Å; G81-F83 CarbonylContact C-O 3.49Å; G81-F83 PolarHBondContact N-O 2.91Å; G81-F83 PolarHBondContact O-N 2.89Å; G81-F83 VanDerWaalsContact O-N 3.17Å
82K62Low80.5Confident126 Ų12634.9 Ų34.955%0.54819%0.186SC..SBendtrans-60-23.2169.9-68.4174.3170.9178.10113.1T138K82-T138 HydrophobicContact CD-CG2 3.61Å; K82-T138 VanDerWaalsContact NZ-CG2 3.26Å
83F71Confident79.8Confident12 Ų1235 Ų355%0.05319%0.187CC..SBendtrans-129.7157.7164.4-85.5-93.4000109.1G81 I85 F93 M117 N120 M124 V137G81-F83 CarbonylContact C-O 3.49Å; G81-F83 PolarHBondContact N-O 2.91Å; G81-F83 PolarHBondContact O-N 2.89Å; G81-F83 VanDerWaalsContact O-N 3.17Å; F83-I85 PolarHBondContact O-N 3.21Å; F83-F93 HydrophobicContact CB-CB 4.29Å; F83-F93 HydrophobicContact CD1-CB 4.32Å; F83-F93 AromaticContact CD1-CD2 3.42Å; F83-F93 HydrophobicContact CD1-CD2 3.42Å; F83-F93 VanDerWaalsContact CD1-CD2 3.42Å; F83-F93 HydrophobicContact CD1-CE2 4.11Å; F83-F93 HydrophobicContact CD1-CG 4.21Å; F83-F93 HydrophobicContact CD2-CB 4.25Å; F83-F93 AromaticContact CE1-CD2 3.39Å; F83-F93 HydrophobicContact CE1-CD2 3.39Å; F83-F93 AromaticContact CE1-CE2 3.75Å; F83-F93 HydrophobicContact CE1-CE2 3.75Å; F83-F93 HydrophobicContact CE1-CG 4.14Å; F83-F93 HydrophobicContact CG-CB 4.07Å; F83-F93 HydrophobicContact CG-CD2 4.03Å; F83-F93 HydrophobicContact CG-CG 4.44Å; F83-F93 AromaticContact CZ-CD2 3.99Å; F83-F93 HydrophobicContact CZ-CD2 3.99Å; F83-F93 HydrophobicContact CZ-CE2 4.43Å; F83-F93 HydrophobicContact CZ-CG 4.31Å; F83-M117 HydrophobicContact CD1-CE 4.33Å; F83-M117 HydrophobicContact CD1-CG 4.38Å; F83-N120 HydrophobicContact CE1-CB 3.52Å; F83-N120 HydrophobicContact CE2-CB 3.66Å; F83-N120 WeakPolarHBondContact CE2-ND2 3.45Å; F83-N120 HydrophobicContact CZ-CB 3Å; F83-N120 WeakPolarHBondContact CZ-ND2 3.37Å; F83-M124 HydrophobicContact CZ-CE 4.15Å; F83-V137 HydrophobicContact CE2-CB 4.1Å
84I80.5Confident79.5Confident4 Ų437.5 Ų37.52%0.02120%0.196CC..BIsolated β-bridgetrans-80.5115.1163.1-58.9-169.7000107.6W76 L79 C80 I101 L105 T113 M117W76-I84 HydrophobicContact CE3-CG2 3.76Å; W76-I84 HydrophobicContact CZ3-CG2 4.02Å; L79-I84 HydrophobicContact CB-CG2 3.88Å; L79-I84 WeakPolarHBondContact O-CA 3.27Å; C80-I84 VanDerWaalsContact SG-CD1 3.53Å; I84-I101 HydrophobicContact CB-CG2 3.84Å; I84-I101 HydrophobicContact CG2-CG2 3.51Å; I84-L105 HydrophobicContact CD1-CD1 3.66Å; I84-L105 HydrophobicContact CD1-CD2 3.46Å; I84-L105 VanDerWaalsContact CD1-CD2 3.46Å; I84-L105 HydrophobicContact CD1-CG 4.16Å; I84-L105 HydrophobicContact CG1-CD1 4.47Å; I84-T113 HydrophobicContact CD1-CG2 3.72Å; I84-T113 HydrophobicContact CG1-CG2 4.39Å; I84-M117 HydrophobicContact CB-CE 3.98Å; I84-M117 HydrophobicContact CB-SD 4.08Å; I84-M117 HydrophobicContact CG1-SD 4.24Å
85I84.6Confident79.4Confident19 Ų1938.2 Ų38.210%0.09719%0.194CC..  trans-91.7170.1-172.465.8-176.9000112L42 L79 F83 F90 I101L42-I85 HydrophobicContact CD1-CD1 4.45Å; L79-I85 HydrophobicContact CB-CG1 4.45Å; L79-I85 HydrophobicContact CD2-CG1 4.28Å; L79-I85 PolarHBondContact O-N 3.42Å; F83-I85 PolarHBondContact O-N 3.21Å; I85-F90 WeakPolarHBondContact CD1-O 3.5Å; I85-I101 WeakPolarHBondContact O-CD1 3.2Å
86A86.4Confident79.5Confident1 Ų142.1 Ų42.11%0.00821%0.208CC..  trans-68.4-33.1175.700000112.7F90 D97 F340 G341A86-F90 HydrophobicContact CB-CB 4.22Å; A86-D97 HydrophobicContact CB-CB 4.3Å; A86-D97 WeakPolarHBondContact CB-OD1 3.03Å; A86-F340 HydrophobicContact CB-CE1 3.83Å; A86-F340 HydrophobicContact CB-CE2 4.06Å; A86-F340 HydrophobicContact CB-CZ 3.58Å; A86-F340 CarbonylContact O-C 3.59Å; A86-F340 WeakPolarHBondContact O-CA 3.47Å; A86-F340 WeakPolarHBondContact O-CD2 3.41Å; A86-F340 WeakPolarHBondContact O-CG 3.41Å; A86-G341 PolarHBondContact O-N 3.47Å
87G82.4Confident79.6Confident2 Ų242.4 Ų42.42%0.02121%0.209CC..BIsolated β-bridgetrans104.2168.817500000114.8L79 F90L79-G87 VanDerWaalsContact CD2-CA 3.43Å; G87-F90 WeakPolarHBondContact O-CB 3.42Å; G87-F90 WeakPolarHBondContact O-CD2 3.34Å; G87-F90 PolarHBondContact O-N 3.26Å
88G78Confident79.9Confident36 Ų3639.7 Ų39.737%0.37120%0.195SC..THydrogen-bonded Turntrans68.8-130-173.800000112.7F90G88-F90 PolarHBondContact O-N 2.94Å
89Q76.9Confident80.4Confident83 Ų8339.4 Ų39.439%0.38818%0.183SC..THydrogen-bonded Turntrans-72-15.117676.2-175.4-0.700113.1R91 H334Q89-R91 PolarHBondContact O-N 3.45Å; Q89-R91 VanDerWaalsContact O-N 3.08Å; Q89-H334 PolarHBondContact NE2-CD2 3.24Å
90F77.9Confident81Confident23 Ų2339.4 Ų39.410%0.10118%0.183CC..BIsolated β-bridgetrans-82.787.5-179.4-59.1-66.8000109.9I85 A86 G87 G88 E92 Y94 K316 Q337 F340I85-F90 WeakPolarHBondContact CD1-O 3.5Å; A86-F90 HydrophobicContact CB-CB 4.22Å; G87-F90 WeakPolarHBondContact O-CB 3.42Å; G87-F90 WeakPolarHBondContact O-CD2 3.34Å; G87-F90 PolarHBondContact O-N 3.26Å; G88-F90 PolarHBondContact O-N 2.94Å; F90-E92 VanDerWaalsContact C-N 3.31Å; F90-Y94 HydrophobicContact CB-CD2 4.2Å; F90-Y94 HydrophobicContact CB-CE2 3.68Å; F90-Y94 AromaticContact CD1-CE2 3.68Å; F90-Y94 HydrophobicContact CD1-CE2 3.68Å; F90-Y94 AromaticContact CD1-CZ 3.63Å; F90-Y94 WeakPolarHBondContact CD1-OH 3.45Å; F90-Y94 HydrophobicContact CG-CE2 4.03Å; F90-K316 HydrophobicContact CE2-CD 4.01Å; F90-K316 VanDerWaalsContact CE2-NZ 3.26Å; F90-Q337 HydrophobicContact CD2-CG 4.42Å; F90-Q337 HydrophobicContact CE2-CG 3.85Å; F90-F340 AromaticContact CD2-CE2 3.68Å; F90-F340 HydrophobicContact CD2-CE2 3.68Å; F90-F340 HydrophobicContact CD2-CZ 4.27Å; F90-F340 AromaticContact CE2-CE2 3.93Å; F90-F340 HydrophobicContact CE2-CE2 3.93Å; F90-F340 HydrophobicContact CE2-CZ 4.49Å
91R72.9Confident81.8Confident94 Ų9438.9 Ų38.936%0.35518%0.179SC..  trans-94.914.6-175.7-61.2-173-175.2-167.10.4113.4P38 L42 Q89P38-R91 PolarHBondContact O-NH1 3.29Å; L42-R91 HydrophobicContact CD1-CB 3.91Å; L42-R91 HydrophobicContact CD1-CG 3.9Å; L42-R91 HydrophobicContact CD2-CB 4.3Å; L42-R91 WeakPolarHBondContact CD2-O 3.43Å; L42-R91 HydrophobicContact CG-CB 4.32Å; Q89-R91 PolarHBondContact O-N 3.45Å; Q89-R91 VanDerWaalsContact O-N 3.08Å
92E73.3Confident83Confident88 Ų8839.4 Ų39.441%0.41118%0.18SC..SBendtrans-119.8160.6177.8-65.8174.8-17800109.1F90 Y94F90-E92 VanDerWaalsContact C-N 3.31Å; E92-Y94 HydrophobicContact CB-CE2 4.29Å; E92-Y94 WeakPolarHBondContact O-CD2 3.46Å
93F80.4Confident84.4Confident4 Ų435.3 Ų35.32%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-60.7142.5163.8159.7-85.5000109.3F83 Y95 T98 L121 M124 I131 G134F83-F93 HydrophobicContact CB-CB 4.29Å; F83-F93 HydrophobicContact CD1-CB 4.32Å; F83-F93 AromaticContact CD1-CD2 3.42Å; F83-F93 HydrophobicContact CD1-CD2 3.42Å; F83-F93 VanDerWaalsContact CD1-CD2 3.42Å; F83-F93 HydrophobicContact CD1-CE2 4.11Å; F83-F93 HydrophobicContact CD1-CG 4.21Å; F83-F93 HydrophobicContact CD2-CB 4.25Å; F83-F93 AromaticContact CE1-CD2 3.39Å; F83-F93 HydrophobicContact CE1-CD2 3.39Å; F83-F93 AromaticContact CE1-CE2 3.75Å; F83-F93 HydrophobicContact CE1-CE2 3.75Å; F83-F93 HydrophobicContact CE1-CG 4.14Å; F83-F93 HydrophobicContact CG-CB 4.07Å; F83-F93 HydrophobicContact CG-CD2 4.03Å; F83-F93 HydrophobicContact CG-CG 4.44Å; F83-F93 AromaticContact CZ-CD2 3.99Å; F83-F93 HydrophobicContact CZ-CD2 3.99Å; F83-F93 HydrophobicContact CZ-CE2 4.43Å; F83-F93 HydrophobicContact CZ-CG 4.31Å; F93-Y95 HydrophobicContact CZ-CD2 4.48Å; F93-T98 HydrophobicContact CD2-CG2 4.48Å; F93-T98 WeakPolarHBondContact CD2-OG1 3.32Å; F93-T98 VanDerWaalsContact CE2-CB 3.5Å; F93-T98 HydrophobicContact CE2-CG2 3.73Å; F93-T98 WeakPolarHBondContact CE2-OG1 3.27Å; F93-L121 HydrophobicContact CE1-CD2 4.2Å; F93-L121 HydrophobicContact CE2-CD2 3.32Å; F93-L121 HydrophobicContact CZ-CD2 3.12Å; F93-M124 HydrophobicContact CD1-CE 4.01Å; F93-M124 HydrophobicContact CD1-SD 4.22Å; F93-M124 HydrophobicContact CE1-CE 3.56Å; F93-M124 HydrophobicContact CE1-SD 4.1Å; F93-M124 HydrophobicContact CE2-CE 4.17Å; F93-M124 HydrophobicContact CZ-CE 3.65Å; F93-I131 HydrophobicContact CE1-CG2 3.87Å; F93-I131 HydrophobicContact CZ-CG2 4.09Å; F93-G134 WeakPolarHBondContact O-CA 3.44Å
94Y85.3Confident85.4Confident51 Ų5134.7 Ų34.720%0.216%0.159CC..EExtended strand (participates in β ladder)trans-125.7134.7170.2-80.4-93.2000110.6F90 E92 D97 T98 N133F90-Y94 HydrophobicContact CB-CD2 4.2Å; F90-Y94 HydrophobicContact CB-CE2 3.68Å; F90-Y94 AromaticContact CD1-CE2 3.68Å; F90-Y94 HydrophobicContact CD1-CE2 3.68Å; F90-Y94 AromaticContact CD1-CZ 3.63Å; F90-Y94 WeakPolarHBondContact CD1-OH 3.45Å; F90-Y94 HydrophobicContact CG-CE2 4.03Å; E92-Y94 HydrophobicContact CB-CE2 4.29Å; E92-Y94 WeakPolarHBondContact O-CD2 3.46Å; Y94-D97 WeakPolarHBondContact CB-OD2 3.34Å; Y94-T98 WeakPolarHBondContact O-CB 3.31Å; Y94-T98 PolarHBondContact O-N 2.76Å; Y94-T98 VanDerWaalsContact O-N 3.08Å; Y94-T98 PolarHBondContact O-OG1 2.98Å; Y94-N133 WeakPolarHBondContact CA-O 3.27Å
95Y88.8Confident86Confident64 Ų6434.5 Ų34.525%0.25116%0.158SC..Hα-helixtrans-59.4-66.9-166.9-179.3-164.7000113.1F93 D97 T98 I131 N133 E154F93-Y95 HydrophobicContact CZ-CD2 4.48Å; Y95-D97 PolarHBondContact O-N 2.98Å; Y95-T98 WeakPolarHBondContact O-CB 3.43Å; Y95-T98 PolarHBondContact O-N 3.27Å; Y95-I131 HydrophobicContact CD1-CB 3.83Å; Y95-I131 HydrophobicContact CD1-CG2 3.87Å; Y95-I131 HydrophobicContact CD2-CB 4.02Å; Y95-I131 HydrophobicContact CD2-CD1 3.9Å; Y95-I131 HydrophobicContact CD2-CG2 3.57Å; Y95-I131 HydrophobicContact CE1-CB 3.85Å; Y95-I131 HydrophobicContact CE1-CD1 4.31Å; Y95-I131 HydrophobicContact CE1-CG2 4.34Å; Y95-I131 HydrophobicContact CE2-CB 4.09Å; Y95-I131 HydrophobicContact CE2-CD1 3.33Å; Y95-I131 HydrophobicContact CE2-CG1 4.29Å; Y95-I131 HydrophobicContact CE2-CG2 4.13Å; Y95-I131 HydrophobicContact CG-CB 3.94Å; Y95-I131 HydrophobicContact CG-CG2 3.48Å; Y95-I131 VanDerWaalsContact CG-CG2 3.48Å; Y95-N133 PolarHBondContact N-O 2.96Å; Y95-E154 VanDerWaalsContact CE1-OE1 3.24Å; Y95-E154 WeakPolarHBondContact CE1-OE1 3.4Å; Y95-E154 PolarHBondContact OH-OE1 3.29Å; Y95-E154 PolarHBondContact OH-OE2 2.97Å
96W90.9Very high86.3Confident103 Ų10337.1 Ų37.139%0.3917%0.172SC..Hα-helixtrans-72.9-27.2-175.875.9-42.9000113.4T98 F99 W100 W264 W342W96-T98 PolarHBondContact O-N 2.81Å; W96-F99 WeakPolarHBondContact O-CB 3.49Å; W96-F99 PolarHBondContact O-N 3.49Å; W96-W100 PolarHBondContact O-NE1 2.92Å; W96-W264 AromaticContact CH2-CH2 3.19Å; W96-W264 HydrophobicContact CH2-CH2 3.19Å; W96-W264 AromaticContact CH2-CZ2 3.56Å; W96-W264 HydrophobicContact CH2-CZ2 3.56Å; W96-W264 AromaticContact CH2-CZ3 3.94Å; W96-W264 HydrophobicContact CH2-CZ3 3.94Å; W96-W264 AromaticContact CZ2-CH2 3.63Å; W96-W264 HydrophobicContact CZ2-CH2 3.63Å; W96-W264 AromaticContact CZ2-CZ2 3.56Å; W96-W264 HydrophobicContact CZ2-CZ2 3.56Å; W96-W264 HydrophobicContact CZ3-CH2 4.32Å; W96-W342 AromaticContact CE2-CZ3 3.8Å; W96-W342 HydrophobicContact CH2-CZ3 4.49Å; W96-W342 HydrophobicContact CZ2-CH2 4.2Å; W96-W342 AromaticContact CZ2-CZ3 3.69Å; W96-W342 HydrophobicContact CZ2-CZ3 3.69Å; W96-W342 AromaticContact NE1-CZ3 3.9Å
97D90.3Very high86.3Confident6 Ų638.4 Ų38.43%0.03218%0.182CC..Hα-helixtrans-56.9-41.9170.8-62.8-119.3000110.8A86 Y94 Y95 F99 W100 I101 F340 W342A86-D97 HydrophobicContact CB-CB 4.3Å; A86-D97 WeakPolarHBondContact CB-OD1 3.03Å; Y94-D97 WeakPolarHBondContact CB-OD2 3.34Å; Y95-D97 PolarHBondContact O-N 2.98Å; D97-F99 PolarHBondContact O-N 2.64Å; D97-W100 PolarHBondContact O-N 3.09Å; D97-W100 VanDerWaalsContact O-N 3.08Å; D97-I101 PolarHBondContact O-N 2.85Å; D97-I101 VanDerWaalsContact O-N 3.09Å; D97-F340 WeakPolarHBondContact OD1-CE1 3.43Å; D97-W342 HydrophobicContact CB-CE3 4.21Å; D97-W342 WeakPolarHBondContact OD1-CZ3 3.07Å
98T91.1Very high86.6Confident2 Ų238.4 Ų38.41%0.01218%0.182CC..Hα-helixtrans-60-32.5-178.2-66.70000112.9F93 Y94 Y95 W96 W100 I101 I102 M117 L121F93-T98 HydrophobicContact CD2-CG2 4.48Å; F93-T98 WeakPolarHBondContact CD2-OG1 3.32Å; F93-T98 VanDerWaalsContact CE2-CB 3.5Å; F93-T98 HydrophobicContact CE2-CG2 3.73Å; F93-T98 WeakPolarHBondContact CE2-OG1 3.27Å; Y94-T98 WeakPolarHBondContact O-CB 3.31Å; Y94-T98 PolarHBondContact O-N 2.76Å; Y94-T98 VanDerWaalsContact O-N 3.08Å; Y94-T98 PolarHBondContact O-OG1 2.98Å; Y95-T98 WeakPolarHBondContact O-CB 3.43Å; Y95-T98 PolarHBondContact O-N 3.27Å; W96-T98 PolarHBondContact O-N 2.81Å; T98-W100 VanDerWaalsContact C-N 3.32Å; T98-W100 PolarHBondContact O-N 2.78Å; T98-I101 PolarHBondContact O-N 2.96Å; T98-I102 HydrophobicContact CG2-CD1 3.64Å; T98-I102 HydrophobicContact CG2-CG1 4.06Å; T98-I102 WeakPolarHBondContact O-CB 3.48Å; T98-I102 VanDerWaalsContact O-CG1 3.31Å; T98-I102 WeakPolarHBondContact O-CG1 3.38Å; T98-I102 PolarHBondContact O-N 2.71Å; T98-M117 HydrophobicContact CG2-CE 3.54Å; T98-L121 HydrophobicContact CG2-CD1 4.47Å
99F91.9Very high87.1Confident83 Ų8340 Ų4036%0.36418%0.182SC..Hα-helixtrans-59.7-43.8176.1178.3-100.6000112.1W96 D97 I102 K103 Y223W96-F99 WeakPolarHBondContact O-CB 3.49Å; W96-F99 PolarHBondContact O-N 3.49Å; D97-F99 PolarHBondContact O-N 2.64Å; F99-I102 PolarHBondContact O-N 2.88Å; F99-K103 HydrophobicContact CE1-CD 4.16Å; F99-K103 VanDerWaalsContact CE1-CE 3.47Å; F99-K103 HydrophobicContact CZ-CD 4.43Å; F99-K103 PolarHBondContact O-N 3.28Å; F99-K103 VanDerWaalsContact O-N 3.08Å; F99-Y223 VanDerWaalsContact CE1-OH 3.27Å; F99-Y223 WeakPolarHBondContact CE1-OH 3.15Å; F99-Y223 VanDerWaalsContact CZ-OH 3.23Å; F99-Y223 WeakPolarHBondContact CZ-OH 3.09Å
100W93.5Very high87.7Confident6 Ų636 Ų362%0.02316%0.163CC..Hα-helixtrans-74.3-34.6-179.7-52.1104.7000112.3W96 D97 T98 K103 G104 P272 H275 M276 W342 V346W96-W100 PolarHBondContact O-NE1 2.92Å; D97-W100 PolarHBondContact O-N 3.09Å; D97-W100 VanDerWaalsContact O-N 3.08Å; T98-W100 VanDerWaalsContact C-N 3.32Å; T98-W100 PolarHBondContact O-N 2.78Å; W100-K103 HydrophobicContact CE3-CD 4.4Å; W100-K103 HydrophobicContact CZ3-CD 4.46Å; W100-K103 PolarHBondContact O-N 3.32Å; W100-G104 PolarHBondContact O-N 3.21Å; W100-G104 VanDerWaalsContact O-N 3.15Å; W100-P272 HydrophobicContact CD2-CB 4.03Å; W100-P272 HydrophobicContact CD2-CG 4.11Å; W100-P272 VanDerWaalsContact CE2-CB 3.44Å; W100-P272 HydrophobicContact CG-CB 4.42Å; W100-P272 HydrophobicContact CG-CG 4Å; W100-P272 HydrophobicContact CH2-CB 4.45Å; W100-P272 HydrophobicContact CZ2-CB 3.71Å; W100-H275 HydrophobicContact CE3-CB 4.19Å; W100-H275 HydrophobicContact CH2-CB 4.39Å; W100-H275 HydrophobicContact CZ3-CB 3.65Å; W100-H275 AromaticContact CZ3-CG 3.68Å; W100-H275 AromaticContact CZ3-ND1 3.77Å; W100-M276 HydrophobicContact CH2-CE 3.87Å; W100-M276 HydrophobicContact CH2-CG 3.76Å; W100-M276 HydrophobicContact CZ2-CE 3.46Å; W100-M276 VanDerWaalsContact CZ2-CE 3.46Å; W100-M276 HydrophobicContact CZ2-CG 4.3Å; W100-W342 HydrophobicContact CB-CB 3.49Å; W100-W342 VanDerWaalsContact CB-CB 3.49Å; W100-W342 HydrophobicContact CG-CB 3.94Å; W100-V346 HydrophobicContact CB-CG2 4.48Å; W100-V346 HydrophobicContact CE3-CG2 4.01Å
101I92.9Very high88.2Confident1 Ų140.6 Ų40.61%0.00518%0.183CC..Hα-helixtrans-60.3-50.6170.4-69.4168.9000109.6W76 I84 I85 D97 T98 K103 G104 L105 M117W76-I101 HydrophobicContact CH2-CG2 4.33Å; W76-I101 HydrophobicContact CZ3-CB 4.36Å; W76-I101 HydrophobicContact CZ3-CG1 4.28Å; W76-I101 HydrophobicContact CZ3-CG2 3.82Å; I84-I101 HydrophobicContact CB-CG2 3.84Å; I84-I101 HydrophobicContact CG2-CG2 3.51Å; I85-I101 WeakPolarHBondContact O-CD1 3.2Å; D97-I101 PolarHBondContact O-N 2.85Å; D97-I101 VanDerWaalsContact O-N 3.09Å; T98-I101 PolarHBondContact O-N 2.96Å; I101-K103 VanDerWaalsContact C-N 3.3Å; I101-K103 PolarHBondContact O-N 3.21Å; I101-G104 WeakPolarHBondContact O-CA 3.43Å; I101-G104 PolarHBondContact O-N 2.78Å; I101-L105 HydrophobicContact CG2-CD1 3.73Å; I101-L105 HydrophobicContact CG2-CG 4.16Å; I101-L105 VanDerWaalsContact O-CG 3.32Å; I101-L105 WeakPolarHBondContact O-CG 3.37Å; I101-L105 PolarHBondContact O-N 3.48Å; I101-M117 HydrophobicContact CG2-CE 3.9Å; I101-M117 HydrophobicContact CG2-SD 4.39Å
102I92.4Very high88.9Confident20 Ų2039.1 Ų39.110%0.10319%0.188CC..Hα-helixtrans-55.9-42.9177.4-76.8169.6000111.3T98 F99 G104 L105 L106 V114 M117 I118T98-I102 HydrophobicContact CG2-CD1 3.64Å; T98-I102 HydrophobicContact CG2-CG1 4.06Å; T98-I102 WeakPolarHBondContact O-CB 3.48Å; T98-I102 VanDerWaalsContact O-CG1 3.31Å; T98-I102 WeakPolarHBondContact O-CG1 3.38Å; T98-I102 PolarHBondContact O-N 2.71Å; F99-I102 PolarHBondContact O-N 2.88Å; I102-G104 VanDerWaalsContact C-N 3.33Å; I102-G104 PolarHBondContact O-N 2.95Å; I102-L105 PolarHBondContact O-N 3.03Å; I102-L106 HydrophobicContact CG2-CD1 4.02Å; I102-L106 HydrophobicContact CG2-CG 4.3Å; I102-L106 WeakPolarHBondContact O-CB 3.44Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.11Å; I102-L106 PolarHBondContact O-N 3.05Å; I102-V114 HydrophobicContact CG1-CG1 4.49Å; I102-V114 HydrophobicContact CG2-CG1 3.69Å; I102-V114 HydrophobicContact CG2-CG2 4.3Å; I102-M117 HydrophobicContact CD1-CB 4.36Å; I102-M117 HydrophobicContact CG1-CB 4.49Å; I102-M117 HydrophobicContact CG1-CE 4.43Å; I102-M117 HydrophobicContact CG1-SD 4.28Å; I102-I118 HydrophobicContact CD1-CG1 3.99Å
103K91.9Very high89.6Confident39 Ų3936 Ų3617%0.1717%0.174CC..Hα-helixtrans-57.8-45.3174.7-75-159.9172.2-157.50112.2F99 W100 I101 L106 A107 H275 E279F99-K103 HydrophobicContact CE1-CD 4.16Å; F99-K103 VanDerWaalsContact CE1-CE 3.47Å; F99-K103 HydrophobicContact CZ-CD 4.43Å; F99-K103 PolarHBondContact O-N 3.28Å; F99-K103 VanDerWaalsContact O-N 3.08Å; W100-K103 HydrophobicContact CE3-CD 4.4Å; W100-K103 HydrophobicContact CZ3-CD 4.46Å; W100-K103 PolarHBondContact O-N 3.32Å; I101-K103 VanDerWaalsContact C-N 3.3Å; I101-K103 PolarHBondContact O-N 3.21Å; K103-L106 PolarHBondContact O-N 2.96Å; K103-A107 PolarHBondContact O-N 2.81Å; K103-H275 PolarHBondContact NZ-CE1 3.29Å; K103-E279 IonicContact NZ-OE1 3.31Å; K103-E279 PolarHBondContact NZ-OE1 2.76Å; K103-E279 IonicContact NZ-OE2 3.39Å; K103-E279 PolarHBondContact NZ-OE2 2.94Å
104G91.5Very high90Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-61.2-44175.200000113.8W100 I101 I102 A107 S108 G345W100-G104 PolarHBondContact O-N 3.21Å; W100-G104 VanDerWaalsContact O-N 3.15Å; I101-G104 WeakPolarHBondContact O-CA 3.43Å; I101-G104 PolarHBondContact O-N 2.78Å; I102-G104 VanDerWaalsContact C-N 3.33Å; I102-G104 PolarHBondContact O-N 2.95Å; G104-A107 CarbonylContact O-C 3.35Å; G104-A107 WeakPolarHBondContact O-CB 3.36Å; G104-A107 PolarHBondContact O-N 3.23Å; G104-S108 WeakPolarHBondContact O-CB 3.43Å; G104-S108 PolarHBondContact O-N 3.06Å; G104-S108 PolarHBondContact O-OG 3.06Å; G104-G345 VanDerWaalsContact CA-CA 3.46Å
105L92.1Very high90.1Very high0 Ų040.2 Ų40.20%019%0.191CC..Hα-helixtrans-66.5-38.2178.3-64.4171.3000112.3W76 I84 I101 I102 S108 N109 M110 T113 V114 M117W76-L105 HydrophobicContact CD2-CD2 3.7Å; W76-L105 HydrophobicContact CE3-CD2 4Å; W76-L105 HydrophobicContact CG-CD2 3.97Å; W76-L105 HydrophobicContact CZ2-CD2 4.5Å; I84-L105 HydrophobicContact CD1-CD1 3.66Å; I84-L105 HydrophobicContact CD1-CD2 3.46Å; I84-L105 VanDerWaalsContact CD1-CD2 3.46Å; I84-L105 HydrophobicContact CD1-CG 4.16Å; I84-L105 HydrophobicContact CG1-CD1 4.47Å; I101-L105 HydrophobicContact CG2-CD1 3.73Å; I101-L105 HydrophobicContact CG2-CG 4.16Å; I101-L105 VanDerWaalsContact O-CG 3.32Å; I101-L105 WeakPolarHBondContact O-CG 3.37Å; I101-L105 PolarHBondContact O-N 3.48Å; I102-L105 PolarHBondContact O-N 3.03Å; L105-S108 CarbonylContact O-C 3.52Å; L105-S108 WeakPolarHBondContact O-CA 3.38Å; L105-S108 PolarHBondContact O-N 3.28Å; L105-S108 VanDerWaalsContact O-N 3.09Å; L105-N109 PolarHBondContact O-N 3.44Å; L105-M110 HydrophobicContact CB-CB 4.21Å; L105-M110 HydrophobicContact CD2-CB 4.37Å; L105-M110 HydrophobicContact CD2-CE 4.07Å; L105-M110 HydrophobicContact CD2-SD 3.59Å; L105-M110 VanDerWaalsContact CD2-SD 3.59Å; L105-M110 PolarHBondContact O-N 3.49Å; L105-T113 HydrophobicContact CD1-CG2 4.28Å; L105-V114 HydrophobicContact CB-CG2 3.49Å; L105-V114 VanDerWaalsContact CB-CG2 3.49Å; L105-V114 HydrophobicContact CD1-CG2 4.23Å; L105-M117 HydrophobicContact CD1-SD 3.4Å; L105-M117 WeakPolarHBondContact CD1-SD 3.34Å
106L91.3Very high89.8Confident74 Ų7438.3 Ų38.339%0.38719%0.19SC..Hα-helixtrans-62.1-44.3171.9-74.1173.6000111.2I102 K103 S108 N109 F111 V114I102-L106 HydrophobicContact CG2-CD1 4.02Å; I102-L106 HydrophobicContact CG2-CG 4.3Å; I102-L106 WeakPolarHBondContact O-CB 3.44Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.11Å; I102-L106 PolarHBondContact O-N 3.05Å; K103-L106 PolarHBondContact O-N 2.96Å; L106-S108 PolarHBondContact O-N 3.48Å; L106-N109 PolarHBondContact O-N 2.77Å; L106-F111 HydrophobicContact CD2-CD1 3.71Å; L106-F111 HydrophobicContact CD2-CE1 3.99Å; L106-V114 HydrophobicContact CD2-CB 4.26Å; L106-V114 HydrophobicContact CD2-CG1 3.96Å; L106-V114 HydrophobicContact CD2-CG2 4.01Å; L106-V114 HydrophobicContact CG-CG1 4.23Å; L106-V114 HydrophobicContact CG-CG2 3.98Å
107A87.7Confident89.6Confident27 Ų2733.7 Ų33.722%0.22317%0.173CC..Hα-helixtrans-63.3-24.5174.100000112.2K103 G104 L352K103-A107 PolarHBondContact O-N 2.81Å; G104-A107 CarbonylContact O-C 3.35Å; G104-A107 WeakPolarHBondContact O-CB 3.36Å; G104-A107 PolarHBondContact O-N 3.23Å; A107-L352 HydrophobicContact CB-CD1 3.8Å; A107-L352 WeakPolarHBondContact O-CD1 3.24Å
108S87.7Confident89.5Confident2 Ų235.2 Ų35.21%0.01418%0.181CC..THydrogen-bonded Turntrans-91.511.2175.8-47.30000113.7F56 W76 G104 L105 L106 M110 M348F56-S108 VanDerWaalsContact CE1-O 3.31Å; F56-S108 WeakPolarHBondContact CE1-O 3.33Å; W76-S108 PolarHBondContact NE1-OG 3.41Å; G104-S108 WeakPolarHBondContact O-CB 3.43Å; G104-S108 PolarHBondContact O-N 3.06Å; G104-S108 PolarHBondContact O-OG 3.06Å; L105-S108 CarbonylContact O-C 3.52Å; L105-S108 WeakPolarHBondContact O-CA 3.38Å; L105-S108 PolarHBondContact O-N 3.28Å; L105-S108 VanDerWaalsContact O-N 3.09Å; L106-S108 PolarHBondContact O-N 3.48Å; S108-M110 PolarHBondContact O-N 3.43Å; S108-M110 VanDerWaalsContact O-N 3.1Å; S108-M348 WeakPolarHBondContact OG-CE 3.43Å
109N89.1Confident89.1Confident69 Ų6936.7 Ų36.737%0.36919%0.187SC..THydrogen-bonded Turntrans56.219.7-176-66.3-20.4000115.5L105 L106 F111L105-N109 PolarHBondContact O-N 3.44Å; L106-N109 PolarHBondContact O-N 2.77Å; N109-F111 HydrophobicContact CB-CE2 3.85Å; N109-F111 HydrophobicContact CB-CZ 4.2Å; N109-F111 VanDerWaalsContact O-CD2 3.29Å; N109-F111 WeakPolarHBondContact O-CD2 3.12Å; N109-F111 PolarHBondContact O-N 3.32Å; N109-F111 WeakPolarHBondContact OD1-CZ 3.36Å
110M88.9Confident88.5Confident1 Ų133.7 Ų33.71%0.00518%0.175CC..  trans-8353.6-179.5-63.8179.567.800111.9P47 A49 W50 L105 S108 S112 T113 V114P47-M110 HydrophobicContact CB-CE 3.81Å; P47-M110 HydrophobicContact CG-CE 3.84Å; A49-M110 HydrophobicContact CB-CB 4.08Å; A49-M110 HydrophobicContact CB-CG 4.36Å; W50-M110 HydrophobicContact CB-CE 3.9Å; W50-M110 HydrophobicContact CG-CE 4.38Å; L105-M110 HydrophobicContact CB-CB 4.21Å; L105-M110 HydrophobicContact CD2-CB 4.37Å; L105-M110 HydrophobicContact CD2-CE 4.07Å; L105-M110 HydrophobicContact CD2-SD 3.59Å; L105-M110 VanDerWaalsContact CD2-SD 3.59Å; L105-M110 PolarHBondContact O-N 3.49Å; S108-M110 PolarHBondContact O-N 3.43Å; S108-M110 VanDerWaalsContact O-N 3.1Å; M110-S112 PolarHBondContact O-N 2.81Å; M110-T113 HydrophobicContact CE-CG2 4.27Å; M110-T113 WeakPolarHBondContact O-CB 3.41Å; M110-T113 PolarHBondContact O-N 3.35Å; M110-V114 WeakPolarHBondContact O-CG2 3.49Å; M110-V114 PolarHBondContact O-N 3.18Å
111F89.2Confident88.1Confident118 Ų11834.6 Ų34.652%0.51818%0.18SC..Hα-helixtrans-62.9-36.9-170.1-56.7-64.1000114L106 N109 V114 R115L106-F111 HydrophobicContact CD2-CD1 3.71Å; L106-F111 HydrophobicContact CD2-CE1 3.99Å; N109-F111 HydrophobicContact CB-CE2 3.85Å; N109-F111 HydrophobicContact CB-CZ 4.2Å; N109-F111 VanDerWaalsContact O-CD2 3.29Å; N109-F111 WeakPolarHBondContact O-CD2 3.12Å; N109-F111 PolarHBondContact O-N 3.32Å; N109-F111 WeakPolarHBondContact OD1-CZ 3.36Å; F111-V114 PolarHBondContact O-N 2.99Å; F111-R115 WeakPolarHBondContact O-CB 3.16Å; F111-R115 PolarHBondContact O-N 2.71Å
112S87Confident87.7Confident64 Ų6434.8 Ų34.845%0.44818%0.181SC..Hα-helixtrans-69.9-38.1177.252.50000111.7A49 M110 R115 G116A49-S112 WeakPolarHBondContact CB-OG 3.38Å; M110-S112 PolarHBondContact O-N 2.81Å; S112-R115 WeakPolarHBondContact O-CB 3.33Å; S112-R115 PolarHBondContact O-N 2.97Å; S112-G116 PolarHBondContact O-N 2.54Å
113T88.1Confident87Confident21 Ų2136.8 Ų36.813%0.12919%0.188CC..Hα-helixtrans-61.1-47.1172.1-50.70000111.2P47 A49 I84 L105 M110 R115 G116 M117P47-T113 HydrophobicContact CB-CG2 4.07Å; P47-T113 VanDerWaalsContact CB-OG1 3.3Å; P47-T113 WeakPolarHBondContact CB-OG1 3.35Å; P47-T113 HydrophobicContact CG-CG2 4.26Å; A49-T113 WeakPolarHBondContact CB-OG1 3.25Å; I84-T113 HydrophobicContact CD1-CG2 3.72Å; I84-T113 HydrophobicContact CG1-CG2 4.39Å; L105-T113 HydrophobicContact CD1-CG2 4.28Å; M110-T113 HydrophobicContact CE-CG2 4.27Å; M110-T113 WeakPolarHBondContact O-CB 3.41Å; M110-T113 PolarHBondContact O-N 3.35Å; T113-R115 VanDerWaalsContact C-N 3.3Å; T113-R115 PolarHBondContact O-N 2.73Å; T113-G116 PolarHBondContact O-N 3.39Å; T113-G116 VanDerWaalsContact O-N 3.17Å; T113-M117 WeakPolarHBondContact O-CG 3.42Å; T113-M117 PolarHBondContact O-N 2.86Å
114V89.4Confident86.4Confident7 Ų734.9 Ų34.94%0.04218%0.18CC..Hα-helixtrans-58.2-43.7175.5169.60000111.1I102 L105 L106 M110 F111 G116 M117 I118I102-V114 HydrophobicContact CG1-CG1 4.49Å; I102-V114 HydrophobicContact CG2-CG1 3.69Å; I102-V114 HydrophobicContact CG2-CG2 4.3Å; L105-V114 HydrophobicContact CB-CG2 3.49Å; L105-V114 VanDerWaalsContact CB-CG2 3.49Å; L105-V114 HydrophobicContact CD1-CG2 4.23Å; L106-V114 HydrophobicContact CD2-CB 4.26Å; L106-V114 HydrophobicContact CD2-CG1 3.96Å; L106-V114 HydrophobicContact CD2-CG2 4.01Å; L106-V114 HydrophobicContact CG-CG1 4.23Å; L106-V114 HydrophobicContact CG-CG2 3.98Å; M110-V114 WeakPolarHBondContact O-CG2 3.49Å; M110-V114 PolarHBondContact O-N 3.18Å; F111-V114 PolarHBondContact O-N 2.99Å; V114-G116 PolarHBondContact O-N 2.6Å; V114-M117 PolarHBondContact O-N 3.21Å; V114-I118 HydrophobicContact CG1-CD1 3.75Å; V114-I118 HydrophobicContact CG1-CG1 4.45Å; V114-I118 WeakPolarHBondContact O-CG1 3.33Å; V114-I118 PolarHBondContact O-N 3.33Å
115R86.3Confident86Confident138 Ų13835 Ų3552%0.52118%0.181SC..Hα-helixtrans-59-46.5175.9-173-175.9-68.6178.5-0.3111.6F111 S112 T113 I118 K119 F143F111-R115 WeakPolarHBondContact O-CB 3.16Å; F111-R115 PolarHBondContact O-N 2.71Å; S112-R115 WeakPolarHBondContact O-CB 3.33Å; S112-R115 PolarHBondContact O-N 2.97Å; T113-R115 VanDerWaalsContact C-N 3.3Å; T113-R115 PolarHBondContact O-N 2.73Å; R115-I118 PolarHBondContact O-N 3.1Å; R115-K119 HydrophobicContact CG-CD 4.49Å; R115-K119 VanDerWaalsContact O-CG 3.31Å; R115-K119 WeakPolarHBondContact O-CG 3.43Å; R115-K119 PolarHBondContact O-N 3.33Å; R115-F143 HydrophobicContact CB-CD2 4.5Å; R115-F143 HydrophobicContact CG-CB 4.18Å; R115-F143 HydrophobicContact CG-CD2 3.5Å; R115-F143 VanDerWaalsContact CG-CD2 3.5Å; R115-F143 HydrophobicContact CG-CE2 3.93Å; R115-F143 HydrophobicContact CG-CG 3.84Å
116G83.6Confident85.5Confident23 Ų2337.8 Ų37.824%0.23720%0.196CC..Hα-helixtrans-59.9-45.4176.500000112.6S112 T113 V114 I118 K119 N120S112-G116 PolarHBondContact O-N 2.54Å; T113-G116 PolarHBondContact O-N 3.39Å; T113-G116 VanDerWaalsContact O-N 3.17Å; V114-G116 PolarHBondContact O-N 2.6Å; G116-I118 PolarHBondContact O-N 3.02Å; G116-K119 WeakPolarHBondContact O-CB 3.4Å; G116-K119 PolarHBondContact O-N 2.95Å; G116-N120 VanDerWaalsContact O-CG 3.28Å; G116-N120 PolarHBondContact O-N 3.39Å; G116-N120 PolarHBondContact O-OD1 3.21Å
117M86.8Confident84.6Confident6 Ų639.4 Ų39.43%0.0320%0.202CC..Hα-helixtrans-61-44.8176.8-68.8179.778.500112.1F83 I84 T98 I101 I102 L105 T113 V114 K119 N120 L121F83-M117 HydrophobicContact CD1-CE 4.33Å; F83-M117 HydrophobicContact CD1-CG 4.38Å; I84-M117 HydrophobicContact CB-CE 3.98Å; I84-M117 HydrophobicContact CB-SD 4.08Å; I84-M117 HydrophobicContact CG1-SD 4.24Å; T98-M117 HydrophobicContact CG2-CE 3.54Å; I101-M117 HydrophobicContact CG2-CE 3.9Å; I101-M117 HydrophobicContact CG2-SD 4.39Å; I102-M117 HydrophobicContact CD1-CB 4.36Å; I102-M117 HydrophobicContact CG1-CB 4.49Å; I102-M117 HydrophobicContact CG1-CE 4.43Å; I102-M117 HydrophobicContact CG1-SD 4.28Å; L105-M117 HydrophobicContact CD1-SD 3.4Å; L105-M117 WeakPolarHBondContact CD1-SD 3.34Å; T113-M117 WeakPolarHBondContact O-CG 3.42Å; T113-M117 PolarHBondContact O-N 2.86Å; V114-M117 PolarHBondContact O-N 3.21Å; M117-K119 VanDerWaalsContact C-N 3.34Å; M117-K119 PolarHBondContact O-N 2.96Å; M117-N120 PolarHBondContact O-N 2.98Å; M117-L121 WeakPolarHBondContact O-CG 3.39Å; M117-L121 PolarHBondContact O-N 3.14Å
118I86.8Confident84.2Confident38 Ų3842.1 Ų42.120%0.19521%0.21CC..Hα-helixtrans-64.1-38.5177.8-66.6167.5000111.5I102 V114 R115 G116 N120 L121 A122 F143 L147I102-I118 HydrophobicContact CD1-CG1 3.99Å; V114-I118 HydrophobicContact CG1-CD1 3.75Å; V114-I118 HydrophobicContact CG1-CG1 4.45Å; V114-I118 WeakPolarHBondContact O-CG1 3.33Å; V114-I118 PolarHBondContact O-N 3.33Å; R115-I118 PolarHBondContact O-N 3.1Å; G116-I118 PolarHBondContact O-N 3.02Å; I118-N120 VanDerWaalsContact C-N 3.34Å; I118-N120 PolarHBondContact O-N 2.85Å; I118-L121 WeakPolarHBondContact O-CB 3.44Å; I118-L121 PolarHBondContact O-N 2.98Å; I118-A122 PolarHBondContact O-N 3.44Å; I118-F143 HydrophobicContact CB-CE2 4.06Å; I118-F143 HydrophobicContact CD1-CE2 4.13Å; I118-F143 HydrophobicContact CG2-CD2 4.36Å; I118-F143 HydrophobicContact CG2-CE2 3.8Å; I118-L147 HydrophobicContact CG2-CD1 3.75Å; I118-L147 HydrophobicContact CG2-CD2 3.96Å
119K82.3Confident83.9Confident34 Ų3442.6 Ų42.615%0.14822%0.216CC..Hα-helixtrans-60.3-44.2173.8-74.2170.5167.8-140.50111.6R115 G116 M117 L121 A122 Y123 D140 F141 F143R115-K119 HydrophobicContact CG-CD 4.49Å; R115-K119 VanDerWaalsContact O-CG 3.31Å; R115-K119 WeakPolarHBondContact O-CG 3.43Å; R115-K119 PolarHBondContact O-N 3.33Å; G116-K119 WeakPolarHBondContact O-CB 3.4Å; G116-K119 PolarHBondContact O-N 2.95Å; M117-K119 VanDerWaalsContact C-N 3.34Å; M117-K119 PolarHBondContact O-N 2.96Å; K119-L121 VanDerWaalsContact C-N 3.29Å; K119-L121 PolarHBondContact O-N 3.49Å; K119-A122 WeakPolarHBondContact O-CB 3.3Å; K119-A122 PolarHBondContact O-N 3.07Å; K119-Y123 PolarHBondContact O-N 3.08Å; K119-D140 IonicContact NZ-OD1 2.75Å; K119-F141 HydrophobicContact CB-CB 4.03Å; K119-F141 WeakPolarHBondContact CD-O 3.47Å; K119-F141 WeakPolarHBondContact CE-O 3.45Å; K119-F141 HydrophobicContact CG-CB 4.28Å; K119-F141 VanDerWaalsContact CG-O 3.3Å; K119-F141 WeakPolarHBondContact CG-O 3.43Å; K119-F141 PolarHBondContact NZ-O 3.45Å; K119-F143 HydrophobicContact CG-CD2 4.46Å
120N80.8Confident83.6Confident19 Ų1942.5 Ų42.510%0.10221%0.212CC..Hα-helixtrans-66.2-32176.8-58.2-18.2000112.1F83 G116 M117 I118 Y123 M124 G139F83-N120 HydrophobicContact CE1-CB 3.52Å; F83-N120 HydrophobicContact CE2-CB 3.66Å; F83-N120 WeakPolarHBondContact CE2-ND2 3.45Å; F83-N120 HydrophobicContact CZ-CB 3Å; F83-N120 WeakPolarHBondContact CZ-ND2 3.37Å; G116-N120 VanDerWaalsContact O-CG 3.28Å; G116-N120 PolarHBondContact O-N 3.39Å; G116-N120 PolarHBondContact O-OD1 3.21Å; M117-N120 PolarHBondContact O-N 2.98Å; I118-N120 VanDerWaalsContact C-N 3.34Å; I118-N120 PolarHBondContact O-N 2.85Å; N120-Y123 WeakPolarHBondContact O-CB 3.37Å; N120-Y123 PolarHBondContact O-N 3.42Å; N120-M124 PolarHBondContact O-N 3.29Å; N120-G139 PolarHBondContact OD1-O 2.68Å
121L85.1Confident83.3Confident26 Ų2642.8 Ų42.814%0.13621%0.213CC..Hα-helixtrans-62.1-47.8171-65-178000111.4F93 T98 M117 I118 K119 Y123 M124 V125 I131F93-L121 HydrophobicContact CE1-CD2 4.2Å; F93-L121 HydrophobicContact CE2-CD2 3.32Å; F93-L121 HydrophobicContact CZ-CD2 3.12Å; T98-L121 HydrophobicContact CG2-CD1 4.47Å; M117-L121 WeakPolarHBondContact O-CG 3.39Å; M117-L121 PolarHBondContact O-N 3.14Å; I118-L121 WeakPolarHBondContact O-CB 3.44Å; I118-L121 PolarHBondContact O-N 2.98Å; K119-L121 VanDerWaalsContact C-N 3.29Å; K119-L121 PolarHBondContact O-N 3.49Å; L121-Y123 VanDerWaalsContact C-N 3.26Å; L121-Y123 PolarHBondContact O-N 3.11Å; L121-M124 HydrophobicContact CD2-CE 3.47Å; L121-M124 VanDerWaalsContact CD2-CE 3.47Å; L121-M124 HydrophobicContact CG-CE 4.48Å; L121-M124 PolarHBondContact O-N 3.43Å; L121-M124 VanDerWaalsContact O-N 3.15Å; L121-V125 PolarHBondContact O-N 3.15Å; L121-I131 HydrophobicContact CB-CD1 4.02Å; L121-I131 HydrophobicContact CD2-CD1 4.12Å; L121-I131 HydrophobicContact CD2-CG2 4.33Å; L121-I131 HydrophobicContact CG-CD1 4.47Å
122A82.8Confident82.9Confident4 Ų438.2 Ų38.23%0.03320%0.196CC..Hα-helixtrans-58.6-40.3175.800000111.2I118 K119 M124 V125 D126 L147 A150I118-A122 PolarHBondContact O-N 3.44Å; K119-A122 WeakPolarHBondContact O-CB 3.3Å; K119-A122 PolarHBondContact O-N 3.07Å; A122-M124 VanDerWaalsContact C-N 3.32Å; A122-M124 PolarHBondContact O-N 2.88Å; A122-V125 PolarHBondContact O-N 2.89Å; A122-V125 VanDerWaalsContact O-N 3.14Å; A122-D126 PolarHBondContact O-N 3.39Å; A122-L147 HydrophobicContact CB-CD1 4.12Å; A122-A150 HydrophobicContact CB-CB 4Å
123Y77.9Confident82.6Confident62 Ų6240.6 Ų40.624%0.24320%0.203CC..Hα-helixtrans-54.4-46173.9-172.9-80.4000113.3K119 N120 L121 V125 D126 M127 V137 F141K119-Y123 PolarHBondContact O-N 3.08Å; N120-Y123 WeakPolarHBondContact O-CB 3.37Å; N120-Y123 PolarHBondContact O-N 3.42Å; L121-Y123 VanDerWaalsContact C-N 3.26Å; L121-Y123 PolarHBondContact O-N 3.11Å; Y123-V125 VanDerWaalsContact C-N 3.32Å; Y123-V125 PolarHBondContact O-N 2.89Å; Y123-D126 PolarHBondContact O-N 2.99Å; Y123-M127 HydrophobicContact CE1-CB 4.37Å; Y123-M127 HydrophobicContact CE1-CE 3.5Å; Y123-M127 VanDerWaalsContact CE1-CE 3.5Å; Y123-M127 HydrophobicContact CE1-SD 3.99Å; Y123-M127 WeakPolarHBondContact O-CB 3.39Å; Y123-M127 PolarHBondContact O-N 3.45Å; Y123-M127 WeakPolarHBondContact OH-CE 3.4Å; Y123-V137 HydrophobicContact CD1-CG1 3.44Å; Y123-V137 VanDerWaalsContact CD1-CG1 3.44Å; Y123-V137 HydrophobicContact CE1-CG1 3.77Å; Y123-V137 HydrophobicContact CG-CG1 4.29Å; Y123-F141 VanDerWaalsContact CA-CD2 3.48Å; Y123-F141 VanDerWaalsContact CB-CD2 3.4Å; Y123-F141 AromaticContact CD2-CD2 3.55Å; Y123-F141 HydrophobicContact CD2-CD2 3.55Å; Y123-F141 AromaticContact CD2-CE2 3.16Å; Y123-F141 HydrophobicContact CD2-CE2 3.16Å; Y123-F141 HydrophobicContact CD2-CZ 4.35Å; Y123-F141 HydrophobicContact CE2-CE2 4.08Å; Y123-F141 AromaticContact CG-CD2 3.91Å; Y123-F141 HydrophobicContact CG-CD2 3.91Å; Y123-F141 AromaticContact CG-CE2 3.56Å; Y123-F141 HydrophobicContact CG-CE2 3.56Å
124M79.4Confident81.9Confident0 Ų040.6 Ų40.60%021%0.208CC..Hα-helixtrans-63.8-40.2179.3-72.4-175.8-7500111.8F83 F93 N120 L121 A122 D126 M127 H128 I131 V135 V137F83-M124 HydrophobicContact CZ-CE 4.15Å; F93-M124 HydrophobicContact CD1-CE 4.01Å; F93-M124 HydrophobicContact CD1-SD 4.22Å; F93-M124 HydrophobicContact CE1-CE 3.56Å; F93-M124 HydrophobicContact CE1-SD 4.1Å; F93-M124 HydrophobicContact CE2-CE 4.17Å; F93-M124 HydrophobicContact CZ-CE 3.65Å; N120-M124 PolarHBondContact O-N 3.29Å; L121-M124 HydrophobicContact CD2-CE 3.47Å; L121-M124 VanDerWaalsContact CD2-CE 3.47Å; L121-M124 HydrophobicContact CG-CE 4.48Å; L121-M124 PolarHBondContact O-N 3.43Å; L121-M124 VanDerWaalsContact O-N 3.15Å; A122-M124 VanDerWaalsContact C-N 3.32Å; A122-M124 PolarHBondContact O-N 2.88Å; M124-D126 VanDerWaalsContact C-N 3.34Å; M124-M127 PolarHBondContact O-N 2.73Å; M124-H128 WeakPolarHBondContact O-CB 3.13Å; M124-H128 PolarHBondContact O-CD2 3.47Å; M124-H128 PolarHBondContact O-N 3.32Å; M124-I131 HydrophobicContact CB-CG1 4.49Å; M124-I131 HydrophobicContact CE-CG2 3.83Å; M124-I131 HydrophobicContact SD-CG2 4.24Å; M124-V135 HydrophobicContact SD-CB 4.2Å; M124-V135 HydrophobicContact SD-CG2 3.99Å; M124-V137 HydrophobicContact CG-CB 4.45Å; M124-V137 HydrophobicContact CG-CG1 4.29Å; M124-V137 HydrophobicContact CG-CG2 3.8Å; M124-V137 HydrophobicContact SD-CG2 3.83Å
125V84.6Confident80.5Confident2 Ų241.9 Ų41.91%0.01222%0.215CC..Hα-helixtrans-66.2-39176.2-178.30000111.4L121 A122 Y123 G129 I131 A150 K153 E154L121-V125 PolarHBondContact O-N 3.15Å; A122-V125 PolarHBondContact O-N 2.89Å; A122-V125 VanDerWaalsContact O-N 3.14Å; Y123-V125 VanDerWaalsContact C-N 3.32Å; Y123-V125 PolarHBondContact O-N 2.89Å; V125-G129 WeakPolarHBondContact O-CA 3.27Å; V125-G129 PolarHBondContact O-N 3.35Å; V125-I131 HydrophobicContact CG2-CD1 4.07Å; V125-I131 HydrophobicContact CG2-CG1 3.51Å; V125-A150 HydrophobicContact CB-CB 3.92Å; V125-A150 HydrophobicContact CG1-CB 4.03Å; V125-A150 WeakPolarHBondContact CG1-O 3.49Å; V125-K153 HydrophobicContact CG1-CB 3.93Å; V125-K153 HydrophobicContact CG1-CD 3.95Å; V125-K153 HydrophobicContact CG1-CG 4.14Å; V125-K153 WeakPolarHBondContact O-CE 3.48Å; V125-K153 PolarHBondContact O-NZ 3.26Å; V125-E154 HydrophobicContact CG1-CB 4.03Å; V125-E154 HydrophobicContact CG2-CB 4.08Å
126D80.3Confident79.1Confident59 Ų5939.8 Ų39.832%0.31622%0.222SC..Hα-helixtrans-66.6-41.3177-82.1-8.2000112.2A122 Y123 M124 F141 K153A122-D126 PolarHBondContact O-N 3.39Å; Y123-D126 PolarHBondContact O-N 2.99Å; M124-D126 VanDerWaalsContact C-N 3.34Å; D126-F141 HydrophobicContact CB-CE1 4.41Å; D126-F141 HydrophobicContact CB-CE2 4.46Å; D126-F141 HydrophobicContact CB-CZ 3.71Å; D126-F141 WeakPolarHBondContact OD2-CE1 3.38Å; D126-F141 WeakPolarHBondContact OD2-CZ 3.17Å; D126-K153 PolarHBondContact O-NZ 3.39Å
127M73Confident77.6Confident108 Ų10839.3 Ų39.353%0.53222%0.215SC..Hα-helixtrans-71.2-43.8178.1-176.5174.7-86.200113.6Y123 M124Y123-M127 HydrophobicContact CE1-CB 4.37Å; Y123-M127 HydrophobicContact CE1-CE 3.5Å; Y123-M127 VanDerWaalsContact CE1-CE 3.5Å; Y123-M127 HydrophobicContact CE1-SD 3.99Å; Y123-M127 WeakPolarHBondContact O-CB 3.39Å; Y123-M127 PolarHBondContact O-N 3.45Å; Y123-M127 WeakPolarHBondContact OH-CE 3.4Å; M124-M127 PolarHBondContact O-N 2.73Å
128H78.6Confident75.5Confident84 Ų8443.2 Ų43.239%0.38924%0.239SC..Hα-helixtrans-112.4-16.7-169-58-61.4000114.5M124 F130M124-H128 WeakPolarHBondContact O-CB 3.13Å; M124-H128 PolarHBondContact O-CD2 3.47Å; M124-H128 PolarHBondContact O-N 3.32Å; H128-F130 VanDerWaalsContact C-N 3.3Å; H128-F130 HydrophobicContact CB-CD1 4.36Å; H128-F130 HydrophobicContact CB-CE1 4.22Å; H128-F130 WeakPolarHBondContact O-CD1 3.41Å
129G81.2Confident73.6Confident12 Ų1242.5 Ų42.512%0.12424%0.241CC..SBendtrans86.1-5.2-173.100000115V125V125-G129 WeakPolarHBondContact O-CA 3.27Å; V125-G129 PolarHBondContact O-N 3.35Å
130F82.5Confident71.6Confident66 Ų6647.1 Ų47.129%0.28927%0.267SS..SBendtrans-157.8167.3177.363.9-80.7000108.8H128 P132 F157H128-F130 VanDerWaalsContact C-N 3.3Å; H128-F130 HydrophobicContact CB-CD1 4.36Å; H128-F130 HydrophobicContact CB-CE1 4.22Å; H128-F130 WeakPolarHBondContact O-CD1 3.41Å; F130-P132 HydrophobicContact CE2-CB 4.19Å; F130-P132 HydrophobicContact CE2-CG 4.18Å; F130-P132 WeakPolarHBondContact O-CD 3.31Å; F130-F157 HydrophobicContact CB-CB 4.33Å; F130-F157 HydrophobicContact CB-CD1 3.55Å; F130-F157 HydrophobicContact CB-CD2 4.03Å; F130-F157 HydrophobicContact CB-CE1 3.77Å; F130-F157 HydrophobicContact CB-CE2 4.22Å; F130-F157 HydrophobicContact CB-CG 3.7Å; F130-F157 HydrophobicContact CB-CZ 4.1Å; F130-F157 AromaticContact CD1-CD2 3.9Å; F130-F157 HydrophobicContact CD1-CD2 3.9Å; F130-F157 HydrophobicContact CD1-CE1 4.4Å; F130-F157 AromaticContact CD1-CE2 3.57Å; F130-F157 HydrophobicContact CD1-CE2 3.57Å; F130-F157 HydrophobicContact CD1-CG 4.44Å; F130-F157 AromaticContact CD1-CZ 3.85Å; F130-F157 HydrophobicContact CD1-CZ 3.85Å; F130-F157 HydrophobicContact CD2-CE1 4.27Å; F130-F157 HydrophobicContact CD2-CZ 4.17Å; F130-F157 HydrophobicContact CE1-CE2 4.1Å; F130-F157 HydrophobicContact CE1-CZ 4.34Å; F130-F157 HydrophobicContact CG-CD1 4.17Å; F130-F157 HydrophobicContact CG-CD2 4.19Å; F130-F157 AromaticContact CG-CE1 3.91Å; F130-F157 HydrophobicContact CG-CE1 3.91Å; F130-F157 AromaticContact CG-CE2 3.92Å; F130-F157 HydrophobicContact CG-CE2 3.92Å; F130-F157 HydrophobicContact CG-CG 4.31Å; F130-F157 AromaticContact CG-CZ 3.77Å; F130-F157 HydrophobicContact CG-CZ 3.77Å
131I84.4Confident69.9Low8 Ų848.2 Ų48.24%0.04127%0.271CS..  trans-87.8117.5171.7-60.4164.9000108.4F93 Y95 L121 M124 V125F93-I131 HydrophobicContact CE1-CG2 3.87Å; F93-I131 HydrophobicContact CZ-CG2 4.09Å; Y95-I131 HydrophobicContact CD1-CB 3.83Å; Y95-I131 HydrophobicContact CD1-CG2 3.87Å; Y95-I131 HydrophobicContact CD2-CB 4.02Å; Y95-I131 HydrophobicContact CD2-CD1 3.9Å; Y95-I131 HydrophobicContact CD2-CG2 3.57Å; Y95-I131 HydrophobicContact CE1-CB 3.85Å; Y95-I131 HydrophobicContact CE1-CD1 4.31Å; Y95-I131 HydrophobicContact CE1-CG2 4.34Å; Y95-I131 HydrophobicContact CE2-CB 4.09Å; Y95-I131 HydrophobicContact CE2-CD1 3.33Å; Y95-I131 HydrophobicContact CE2-CG1 4.29Å; Y95-I131 HydrophobicContact CE2-CG2 4.13Å; Y95-I131 HydrophobicContact CG-CB 3.94Å; Y95-I131 HydrophobicContact CG-CG2 3.48Å; Y95-I131 VanDerWaalsContact CG-CG2 3.48Å; L121-I131 HydrophobicContact CB-CD1 4.02Å; L121-I131 HydrophobicContact CD2-CD1 4.12Å; L121-I131 HydrophobicContact CD2-CG2 4.33Å; L121-I131 HydrophobicContact CG-CD1 4.47Å; M124-I131 HydrophobicContact CB-CG1 4.49Å; M124-I131 HydrophobicContact CE-CG2 3.83Å; M124-I131 HydrophobicContact SD-CG2 4.24Å; V125-I131 HydrophobicContact CG2-CD1 4.07Å; V125-I131 HydrophobicContact CG2-CG1 3.51Å
132P80.6Confident68.3Low22 Ų2252.5 Ų52.514%0.14329%0.294CS..  trans-67160.4176.4-16.131.9000111F130 G134 V135F130-P132 HydrophobicContact CE2-CB 4.19Å; F130-P132 HydrophobicContact CE2-CG 4.18Å; F130-P132 WeakPolarHBondContact O-CD 3.31Å; P132-G134 PolarHBondContact O-N 2.93Å; P132-V135 HydrophobicContact CB-CG2 3.46Å; P132-V135 VanDerWaalsContact CB-CG2 3.46Å; P132-V135 HydrophobicContact CG-CG2 3.41Å; P132-V135 VanDerWaalsContact CG-CG2 3.41Å
133N80Confident66.8Low113 Ų11356.2 Ų56.260%0.60431%0.309SS*.SBendtrans-54.3-43-177.4-174.830.6000112.4Y94 Y95Y94-N133 WeakPolarHBondContact CA-O 3.27Å; Y95-N133 PolarHBondContact N-O 2.96Å
134G72.5Confident65.4Low22 Ų2257 Ų5723%0.22733%0.329CS..EExtended strand (participates in β ladder)trans-154.8150.6168.600000111.6F93 P132F93-G134 WeakPolarHBondContact O-CA 3.44Å; P132-G134 PolarHBondContact O-N 2.93Å
135V61.3Low64.2Low33 Ų3362 Ų6220%0.236%0.359CS..EExtended strand (participates in β ladder)trans-155.8147.7-178.1-164.90000109.8M124 P132 V137M124-V135 HydrophobicContact SD-CB 4.2Å; M124-V135 HydrophobicContact SD-CG2 3.99Å; P132-V135 HydrophobicContact CB-CG2 3.46Å; P132-V135 VanDerWaalsContact CB-CG2 3.46Å; P132-V135 HydrophobicContact CG-CG2 3.41Å; P132-V135 VanDerWaalsContact CG-CG2 3.41Å; V135-V137 HydrophobicContact CB-CG2 3.5Å; V135-V137 HydrophobicContact CG1-CG2 3.24Å; V135-V137 HydrophobicContact CG2-CG2 4.41Å
136S56.9Low63.2Low94 Ų9464 Ų6466%0.65737%0.37SS*.  trans-84.6108.4159.8-52.70000109.6
137V50.9Low62.9Low14 Ų1463.3 Ų63.39%0.08537%0.366CS..  trans-126.3141.8-175.7-174.20000112.4F83 Y123 M124 V135F83-V137 HydrophobicContact CE2-CB 4.1Å; Y123-V137 HydrophobicContact CD1-CG1 3.44Å; Y123-V137 VanDerWaalsContact CD1-CG1 3.44Å; Y123-V137 HydrophobicContact CE1-CG1 3.77Å; Y123-V137 HydrophobicContact CG-CG1 4.29Å; M124-V137 HydrophobicContact CG-CB 4.45Å; M124-V137 HydrophobicContact CG-CG1 4.29Å; M124-V137 HydrophobicContact CG-CG2 3.8Å; M124-V137 HydrophobicContact SD-CG2 3.83Å; V135-V137 HydrophobicContact CB-CG2 3.5Å; V135-V137 HydrophobicContact CG1-CG2 3.24Å; V135-V137 HydrophobicContact CG2-CG2 4.41Å
138T42.9Very low62.9Low87 Ų8760.5 Ų60.553%0.53435%0.352SS..  trans-126.7116.7170.447.70000109K82K82-T138 HydrophobicContact CD-CG2 3.61Å; K82-T138 VanDerWaalsContact NZ-CG2 3.26Å
139G46.7Very low63Low23 Ų2359.9 Ų59.924%0.23736%0.356CS..  trans175.3132.116800000113.2N120N120-G139 PolarHBondContact OD1-O 2.68Å
140D41.1Very low63Low132 Ų13259.4 Ų59.471%0.70635%0.35SS*.  trans-92.5142.3177.2-115-42.9000110.9K119K119-D140 IonicContact NZ-OD1 2.75Å
141F45.4Very low62.9Low42 Ų4258.4 Ų58.418%0.18435%0.347CS..  trans-129161.5178.1-99.4-87.1000110.9K119 Y123 D126 D146K119-F141 HydrophobicContact CB-CB 4.03Å; K119-F141 WeakPolarHBondContact CD-O 3.47Å; K119-F141 WeakPolarHBondContact CE-O 3.45Å; K119-F141 HydrophobicContact CG-CB 4.28Å; K119-F141 VanDerWaalsContact CG-O 3.3Å; K119-F141 WeakPolarHBondContact CG-O 3.43Å; K119-F141 PolarHBondContact NZ-O 3.45Å; Y123-F141 VanDerWaalsContact CA-CD2 3.48Å; Y123-F141 VanDerWaalsContact CB-CD2 3.4Å; Y123-F141 AromaticContact CD2-CD2 3.55Å; Y123-F141 HydrophobicContact CD2-CD2 3.55Å; Y123-F141 AromaticContact CD2-CE2 3.16Å; Y123-F141 HydrophobicContact CD2-CE2 3.16Å; Y123-F141 HydrophobicContact CD2-CZ 4.35Å; Y123-F141 HydrophobicContact CE2-CE2 4.08Å; Y123-F141 AromaticContact CG-CD2 3.91Å; Y123-F141 HydrophobicContact CG-CD2 3.91Å; Y123-F141 AromaticContact CG-CE2 3.56Å; Y123-F141 HydrophobicContact CG-CE2 3.56Å; D126-F141 HydrophobicContact CB-CE1 4.41Å; D126-F141 HydrophobicContact CB-CE2 4.46Å; D126-F141 HydrophobicContact CB-CZ 3.71Å; D126-F141 WeakPolarHBondContact OD2-CE1 3.38Å; D126-F141 WeakPolarHBondContact OD2-CZ 3.17Å; F141-D146 HydrophobicContact CD1-CB 3.47Å; F141-D146 VanDerWaalsContact CD1-CB 3.47Å; F141-D146 WeakPolarHBondContact CD1-OD2 3.28Å; F141-D146 HydrophobicContact CE1-CB 4.07Å; F141-D146 HydrophobicContact CG-CB 4.45Å
142D52.1Low62.9Low115 Ų11560.4 Ų60.462%0.61536%0.357SS*.  trans-92.1120.9173.8-92.5-26.7000112.2A144 D146D142-A144 PolarHBondContact O-N 3.33Å; D142-A144 VanDerWaalsContact O-N 3.14Å; D142-D146 WeakPolarHBondContact CA-OD2 3.33Å; D142-D146 WeakPolarHBondContact CB-OD2 3.46Å; D142-D146 PolarHBondContact N-OD2 2.65Å; D142-D146 WeakPolarHBondContact O-CB 3.43Å; D142-D146 PolarHBondContact O-N 3Å
143F50.8Low63.2Low82 Ų8263.4 Ų63.436%0.3637%0.367SS..THydrogen-bonded Turntrans-62.8-31.3-155.8-177.3-105.2000116.5R115 I118 K119 L147R115-F143 HydrophobicContact CB-CD2 4.5Å; R115-F143 HydrophobicContact CG-CB 4.18Å; R115-F143 HydrophobicContact CG-CD2 3.5Å; R115-F143 VanDerWaalsContact CG-CD2 3.5Å; R115-F143 HydrophobicContact CG-CE2 3.93Å; R115-F143 HydrophobicContact CG-CG 3.84Å; I118-F143 HydrophobicContact CB-CE2 4.06Å; I118-F143 HydrophobicContact CD1-CE2 4.13Å; I118-F143 HydrophobicContact CG2-CD2 4.36Å; I118-F143 HydrophobicContact CG2-CE2 3.8Å; K119-F143 HydrophobicContact CG-CD2 4.46Å; F143-L147 WeakPolarHBondContact O-CB 3.28Å
144A47.2Very low63.5Low78 Ų7858.7 Ų58.765%0.64534%0.342SS*.THydrogen-bonded Turntrans-99.2-34.2-171.700000113.5D142D142-A144 PolarHBondContact O-N 3.33Å; D142-A144 VanDerWaalsContact O-N 3.14Å
145T56.1Low64Low106 Ų10658.4 Ų58.465%0.6533%0.334SS*.THydrogen-bonded Turntrans-84.3-33.7-177-450000111.3P149T145-P149 VanDerWaalsContact O-CD 3.27Å; T145-P149 WeakPolarHBondContact O-CD 3.42Å
146D63.5Low65Low45 Ų4560.2 Ų60.224%0.24134%0.343CS..SBendtrans-95.7-19.9-167.7-54-25.2000112.8F141 D142 P149 A150F141-D146 HydrophobicContact CD1-CB 3.47Å; F141-D146 VanDerWaalsContact CD1-CB 3.47Å; F141-D146 WeakPolarHBondContact CD1-OD2 3.28Å; F141-D146 HydrophobicContact CE1-CB 4.07Å; F141-D146 HydrophobicContact CG-CB 4.45Å; D142-D146 WeakPolarHBondContact CA-OD2 3.33Å; D142-D146 WeakPolarHBondContact CB-OD2 3.46Å; D142-D146 PolarHBondContact N-OD2 2.65Å; D142-D146 WeakPolarHBondContact O-CB 3.43Å; D142-D146 PolarHBondContact O-N 3Å; D146-P149 WeakPolarHBondContact O-CD 3.15Å; D146-A150 PolarHBondContact O-N 3.44Å
147L72.7Confident66.4Low43 Ų4358 Ų5823%0.22532%0.322CS..Hα-helixtrans-71.7-39.9-176.4-172.763000112.7I118 A122 F143 A150 M151I118-L147 HydrophobicContact CG2-CD1 3.75Å; I118-L147 HydrophobicContact CG2-CD2 3.96Å; A122-L147 HydrophobicContact CB-CD1 4.12Å; F143-L147 WeakPolarHBondContact O-CB 3.28Å; L147-A150 PolarHBondContact O-N 3.42Å; L147-M151 HydrophobicContact CD1-CG 4.25Å; L147-M151 HydrophobicContact CD2-SD 4.3Å; L147-M151 HydrophobicContact CG-CG 4.16Å; L147-M151 HydrophobicContact CG-SD 3.94Å; L147-M151 VanDerWaalsContact O-CG 3.26Å; L147-M151 WeakPolarHBondContact O-CG 3.41Å; L147-M151 PolarHBondContact O-N 2.93Å
148M72.9Confident67.9Low50 Ų5060.5 Ų60.525%0.24633%0.329CS..Hα-helixtrans-65.3-48.2-177.3-69.5-165.8-56.200113.1A150 M151 E152 V202M148-A150 VanDerWaalsContact C-N 3.28Å; M148-A150 PolarHBondContact O-N 3.29Å; M148-M151 PolarHBondContact O-N 3.48Å; M148-E152 PolarHBondContact O-N 2.93Å; M148-V202 HydrophobicContact CE-CB 4.22Å; M148-V202 HydrophobicContact CE-CG1 3.98Å; M148-V202 HydrophobicContact CE-CG2 3.86Å; M148-V202 HydrophobicContact SD-CB 4.3Å; M148-V202 HydrophobicContact SD-CG1 3.77Å; M148-V202 HydrophobicContact SD-CG2 3.71Å
149P80.8Confident69.6Low70 Ų7059.4 Ų59.446%0.45532%0.32SS..Hα-helixtrans-57.4-41.3174.5-25.135.3000112.5T145 D146 E152 K153T145-P149 VanDerWaalsContact O-CD 3.27Å; T145-P149 WeakPolarHBondContact O-CD 3.42Å; D146-P149 WeakPolarHBondContact O-CD 3.15Å; P149-E152 PolarHBondContact O-N 3.44Å; P149-K153 VanDerWaalsContact O-CB 3.23Å; P149-K153 WeakPolarHBondContact O-CB 3.46Å; P149-K153 PolarHBondContact O-N 2.99Å
150A82.7Confident71.3Confident2 Ų267.6 Ų67.62%0.01734%0.344CS..Hα-helixtrans-60.6-50.3174.600000111.6A122 V125 D146 L147 M148 E152 K153 E154A122-A150 HydrophobicContact CB-CB 4Å; V125-A150 HydrophobicContact CB-CB 3.92Å; V125-A150 HydrophobicContact CG1-CB 4.03Å; V125-A150 WeakPolarHBondContact CG1-O 3.49Å; D146-A150 PolarHBondContact O-N 3.44Å; L147-A150 PolarHBondContact O-N 3.42Å; M148-A150 VanDerWaalsContact C-N 3.28Å; M148-A150 PolarHBondContact O-N 3.29Å; A150-E152 VanDerWaalsContact C-N 3.34Å; A150-E152 PolarHBondContact O-N 2.89Å; A150-K153 PolarHBondContact O-N 3.4Å; A150-E154 PolarHBondContact O-N 3.32Å
151M80.2Confident73.1Confident45 Ų4564.4 Ų64.422%0.22233%0.327CS..Hα-helixtrans-59.3-42179.2-70.6177.569.500112.9L147 M148 F155 L195 L198L147-M151 HydrophobicContact CD1-CG 4.25Å; L147-M151 HydrophobicContact CD2-SD 4.3Å; L147-M151 HydrophobicContact CG-CG 4.16Å; L147-M151 HydrophobicContact CG-SD 3.94Å; L147-M151 VanDerWaalsContact O-CG 3.26Å; L147-M151 WeakPolarHBondContact O-CG 3.41Å; L147-M151 PolarHBondContact O-N 2.93Å; M148-M151 PolarHBondContact O-N 3.48Å; M151-F155 VanDerWaalsContact O-CB 3.3Å; M151-F155 WeakPolarHBondContact O-CB 3.19Å; M151-F155 PolarHBondContact O-N 3.38Å; M151-L195 HydrophobicContact CB-CD2 3.79Å; M151-L195 HydrophobicContact CE-CD2 4.2Å; M151-L198 HydrophobicContact CE-CD1 3.6Å; M151-L198 HydrophobicContact SD-CD1 3.7Å
152E83.4Confident74.3Confident51 Ų5167.1 Ų67.124%0.23834%0.336CS..Hα-helixtrans-65.7-43.7176.3-70.6-176.6167.500111.6M148 P149 A150 E154 F155 D156 L195 K207M148-E152 PolarHBondContact O-N 2.93Å; P149-E152 PolarHBondContact O-N 3.44Å; A150-E152 VanDerWaalsContact C-N 3.34Å; A150-E152 PolarHBondContact O-N 2.89Å; E152-E154 PolarHBondContact O-N 2.86Å; E152-F155 PolarHBondContact O-N 3.41Å; E152-D156 WeakPolarHBondContact O-CB 3.41Å; E152-D156 PolarHBondContact O-N 3.33Å; E152-L195 HydrophobicContact CG-CD2 3.9Å; E152-K207 VanDerWaalsContact OE1-CD 3.31Å; E152-K207 WeakPolarHBondContact OE1-CD 3.31Å; E152-K207 IonicContact OE1-NZ 2.66Å; E152-K207 PolarHBondContact OE1-NZ 2.95Å; E152-K207 IonicContact OE2-NZ 3.77Å; E152-K207 PolarHBondContact OE2-NZ 3.09Å
153K86.5Confident75Confident84 Ų8465.9 Ų65.937%0.36534%0.336SS..Hα-helixtrans-61.3-44.3178.5-172.2-177.6-172.7-161.90112V125 D126 P149 A150 F157V125-K153 HydrophobicContact CG1-CB 3.93Å; V125-K153 HydrophobicContact CG1-CD 3.95Å; V125-K153 HydrophobicContact CG1-CG 4.14Å; V125-K153 WeakPolarHBondContact O-CE 3.48Å; V125-K153 PolarHBondContact O-NZ 3.26Å; D126-K153 PolarHBondContact O-NZ 3.39Å; P149-K153 VanDerWaalsContact O-CB 3.23Å; P149-K153 WeakPolarHBondContact O-CB 3.46Å; P149-K153 PolarHBondContact O-N 2.99Å; A150-K153 PolarHBondContact O-N 3.4Å; K153-F157 PolarHBondContact O-N 2.95Å
154E86Confident75.6Confident14 Ų1467.3 Ų67.37%0.06535%0.347CS..Hα-helixtrans-66.5-42.6175.4177.4174.5-152.800111.7Y95 V125 A150 E152 D156 F157 W158Y95-E154 VanDerWaalsContact CE1-OE1 3.24Å; Y95-E154 WeakPolarHBondContact CE1-OE1 3.4Å; Y95-E154 PolarHBondContact OH-OE1 3.29Å; Y95-E154 PolarHBondContact OH-OE2 2.97Å; V125-E154 HydrophobicContact CG1-CB 4.03Å; V125-E154 HydrophobicContact CG2-CB 4.08Å; A150-E154 PolarHBondContact O-N 3.32Å; E152-E154 PolarHBondContact O-N 2.86Å; E154-D156 VanDerWaalsContact C-N 3.31Å; E154-D156 PolarHBondContact O-N 3.27Å; E154-F157 WeakPolarHBondContact O-CB 3.35Å; E154-F157 PolarHBondContact O-N 2.83Å; E154-W158 PolarHBondContact O-N 3.08Å; E154-W158 PolarHBondContact OE1-NE1 3.13Å
155F83.7Confident76.2Confident16 Ų1670.4 Ų70.47%0.0735%0.347CS..Hα-helixtrans-59.9-43.2177.4-179.3-106.5000111.8M151 E152 F157 W158 L159 M188 N191 A192 L195 I211M151-F155 VanDerWaalsContact O-CB 3.3Å; M151-F155 WeakPolarHBondContact O-CB 3.19Å; M151-F155 PolarHBondContact O-N 3.38Å; E152-F155 PolarHBondContact O-N 3.41Å; F155-F157 VanDerWaalsContact C-N 3.35Å; F155-F157 PolarHBondContact O-N 3.23Å; F155-W158 PolarHBondContact O-N 3.09Å; F155-L159 HydrophobicContact CD1-CD1 3.76Å; F155-L159 HydrophobicContact CD1-CG 4.32Å; F155-L159 HydrophobicContact CE1-CD1 3.41Å; F155-L159 VanDerWaalsContact CE1-CD1 3.41Å; F155-L159 HydrophobicContact CE1-CG 4.04Å; F155-L159 HydrophobicContact CZ-CD1 4.01Å; F155-L159 HydrophobicContact CZ-CD2 4.3Å; F155-L159 HydrophobicContact CZ-CG 4.22Å; F155-L159 WeakPolarHBondContact O-CG 3.15Å; F155-L159 PolarHBondContact O-N 2.96Å; F155-M188 HydrophobicContact CD2-CE 3.54Å; F155-M188 HydrophobicContact CD2-SD 4.29Å; F155-M188 HydrophobicContact CE2-CE 3.46Å; F155-M188 VanDerWaalsContact CE2-CE 3.46Å; F155-M188 HydrophobicContact CE2-SD 4.42Å; F155-M188 HydrophobicContact CG-CE 4.39Å; F155-M188 HydrophobicContact CZ-CE 4.26Å; F155-N191 HydrophobicContact CD2-CB 3.91Å; F155-N191 HydrophobicContact CE2-CB 4.25Å; F155-A192 HydrophobicContact CE2-CB 4.02Å; F155-A192 HydrophobicContact CZ-CB 3.86Å; F155-L195 HydrophobicContact CB-CD1 3.77Å; F155-L195 HydrophobicContact CD1-CD1 3.93Å; F155-L195 HydrophobicContact CD2-CD1 4.21Å; F155-L195 HydrophobicContact CG-CD1 3.71Å; F155-I211 HydrophobicContact CE1-CD1 3.45Å; F155-I211 VanDerWaalsContact CE1-CD1 3.45Å; F155-I211 HydrophobicContact CZ-CD1 3.52Å
156D83.5Confident76.2Confident72 Ų7269 Ų6939%0.38534%0.339SS..Hα-helixtrans-62.5-39.5174.2-88-1.4000112.6E152 E154 L159 R160E152-D156 WeakPolarHBondContact O-CB 3.41Å; E152-D156 PolarHBondContact O-N 3.33Å; E154-D156 VanDerWaalsContact C-N 3.31Å; E154-D156 PolarHBondContact O-N 3.27Å; D156-L159 PolarHBondContact O-N 3.47Å; D156-R160 WeakPolarHBondContact O-CG 3.28Å; D156-R160 PolarHBondContact O-N 3.33Å; D156-R160 IonicContact OD2-NH2 3.04Å
157F86.4Confident75.8Confident48 Ų4870 Ų7021%0.21135%0.353CS..Hα-helixtrans-57.5-50.9173.8170.8-90.6000111F130 K153 E154 F155 L159 R160 N161F130-F157 HydrophobicContact CB-CB 4.33Å; F130-F157 HydrophobicContact CB-CD1 3.55Å; F130-F157 HydrophobicContact CB-CD2 4.03Å; F130-F157 HydrophobicContact CB-CE1 3.77Å; F130-F157 HydrophobicContact CB-CE2 4.22Å; F130-F157 HydrophobicContact CB-CG 3.7Å; F130-F157 HydrophobicContact CB-CZ 4.1Å; F130-F157 AromaticContact CD1-CD2 3.9Å; F130-F157 HydrophobicContact CD1-CD2 3.9Å; F130-F157 HydrophobicContact CD1-CE1 4.4Å; F130-F157 AromaticContact CD1-CE2 3.57Å; F130-F157 HydrophobicContact CD1-CE2 3.57Å; F130-F157 HydrophobicContact CD1-CG 4.44Å; F130-F157 AromaticContact CD1-CZ 3.85Å; F130-F157 HydrophobicContact CD1-CZ 3.85Å; F130-F157 HydrophobicContact CD2-CE1 4.27Å; F130-F157 HydrophobicContact CD2-CZ 4.17Å; F130-F157 HydrophobicContact CE1-CE2 4.1Å; F130-F157 HydrophobicContact CE1-CZ 4.34Å; F130-F157 HydrophobicContact CG-CD1 4.17Å; F130-F157 HydrophobicContact CG-CD2 4.19Å; F130-F157 AromaticContact CG-CE1 3.91Å; F130-F157 HydrophobicContact CG-CE1 3.91Å; F130-F157 AromaticContact CG-CE2 3.92Å; F130-F157 HydrophobicContact CG-CE2 3.92Å; F130-F157 HydrophobicContact CG-CG 4.31Å; F130-F157 AromaticContact CG-CZ 3.77Å; F130-F157 HydrophobicContact CG-CZ 3.77Å; K153-F157 PolarHBondContact O-N 2.95Å; E154-F157 WeakPolarHBondContact O-CB 3.35Å; E154-F157 PolarHBondContact O-N 2.83Å; F155-F157 VanDerWaalsContact C-N 3.35Å; F155-F157 PolarHBondContact O-N 3.23Å; F157-L159 VanDerWaalsContact C-N 3.31Å; F157-L159 PolarHBondContact O-N 3.32Å; F157-R160 PolarHBondContact O-N 2.96Å; F157-R160 VanDerWaalsContact O-N 3.17Å; F157-N161 WeakPolarHBondContact CD2-ND2 3.37Å; F157-N161 HydrophobicContact CE1-CB 4.37Å; F157-N161 HydrophobicContact CE2-CB 4.19Å; F157-N161 HydrophobicContact CZ-CB 4.09Å; F157-N161 WeakPolarHBondContact O-CB 3.34Å; F157-N161 PolarHBondContact O-N 3.38Å; F157-N161 PolarHBondContact O-ND2 3.48Å
158W82.1Confident74.9Confident65 Ų6575.6 Ų75.625%0.24638%0.383CS..Hα-helixtrans-70.2-25180-72.4112.3000113.3E154 F155 R160 R162 L184 M188E154-W158 PolarHBondContact O-N 3.08Å; E154-W158 PolarHBondContact OE1-NE1 3.13Å; F155-W158 PolarHBondContact O-N 3.09Å; W158-R160 VanDerWaalsContact C-N 3.33Å; W158-R162 WeakPolarHBondContact O-CG 3.34Å; W158-R162 PolarHBondContact O-NE 3.28Å; W158-L184 HydrophobicContact CE3-CD1 4.19Å; W158-L184 HydrophobicContact CZ3-CD1 4.38Å; W158-M188 HydrophobicContact CB-CE 3.62Å; W158-M188 HydrophobicContact CB-SD 3.39Å; W158-M188 WeakPolarHBondContact CB-SD 3.31Å; W158-M188 HydrophobicContact CG-SD 4.08Å
159L78.7Confident74Confident65 Ų6576.3 Ų76.334%0.3439%0.388SS..Hα-helixtrans-65.8-36.8170.6-78.4174.9000112.1F155 D156 F157 M188 I211F155-L159 HydrophobicContact CD1-CD1 3.76Å; F155-L159 HydrophobicContact CD1-CG 4.32Å; F155-L159 HydrophobicContact CE1-CD1 3.41Å; F155-L159 VanDerWaalsContact CE1-CD1 3.41Å; F155-L159 HydrophobicContact CE1-CG 4.04Å; F155-L159 HydrophobicContact CZ-CD1 4.01Å; F155-L159 HydrophobicContact CZ-CD2 4.3Å; F155-L159 HydrophobicContact CZ-CG 4.22Å; F155-L159 WeakPolarHBondContact O-CG 3.15Å; F155-L159 PolarHBondContact O-N 2.96Å; D156-L159 PolarHBondContact O-N 3.47Å; F157-L159 VanDerWaalsContact C-N 3.31Å; F157-L159 PolarHBondContact O-N 3.32Å; L159-M188 HydrophobicContact CD2-CE 4.01Å; L159-M188 HydrophobicContact CG-CE 3.93Å; L159-I211 HydrophobicContact CD1-CD1 4.29Å
160R80.8Confident72.7Confident194 Ų19481.4 Ų81.473%0.73240%0.398SS*.Hα-helixtrans-91.2-28.3-174.6-62.9175.2-164.1-171.88113.9D156 F157 W158D156-R160 WeakPolarHBondContact O-CG 3.28Å; D156-R160 PolarHBondContact O-N 3.33Å; D156-R160 IonicContact OD2-NH2 3.04Å; F157-R160 PolarHBondContact O-N 2.96Å; F157-R160 VanDerWaalsContact O-N 3.17Å; W158-R160 VanDerWaalsContact C-N 3.33Å
161N78.8Confident71.4Confident66 Ų6684.5 Ų84.535%0.35341%0.413SS..  trans-119.537.2-168-58.4-75000113.9F157 S163F157-N161 WeakPolarHBondContact CD2-ND2 3.37Å; F157-N161 HydrophobicContact CE1-CB 4.37Å; F157-N161 HydrophobicContact CE2-CB 4.19Å; F157-N161 HydrophobicContact CZ-CB 4.09Å; F157-N161 WeakPolarHBondContact O-CB 3.34Å; F157-N161 PolarHBondContact O-N 3.38Å; F157-N161 PolarHBondContact O-ND2 3.48Å; N161-S163 PolarHBondContact O-N 3.03Å
162R71.4Confident70.3Confident98 Ų9892.5 Ų92.537%0.3745%0.446SS..SBendtrans-64.3-22-176.6-65.9-170.9178.1-179.4-1.4115.2W158W158-R162 WeakPolarHBondContact O-CG 3.34Å; W158-R162 PolarHBondContact O-NE 3.28Å
163S66.7Low69.3Low89 Ų8995 Ų9562%0.62247%0.469SS*.  trans-146.8116.9-175.447.40000109.2N161N161-S163 PolarHBondContact O-N 3.03Å
164I62.7Low68.2Low113 Ų11393.8 Ų93.858%0.57947%0.466SS*.  trans-111.8133.2172.2-59.4170.2000106.8V166I164-V166 PolarHBondContact O-N 3.34Å
165H60Low67.2Low143 Ų14399.2 Ų99.266%0.66249%0.49SS*.  trans-73.3126174-177.4-79.2000109.6
166V57.5Low66.4Low77 Ų77102.6 Ų102.647%0.46751%0.512SS..  trans-118.3121.1174.2-171.60000107.7I164I164-V166 PolarHBondContact O-N 3.34Å
167A53.9Low65.6Low65 Ų65104.1 Ų104.154%0.53751%0.512SS..  trans-81145.9172.500000110.1
168D53.6Low64.5Low161 Ų161105.5 Ų105.586%0.86153%0.528SS*.  trans66.175167.7-56.7-38.2000117.5
169L54.3Low63.8Low65 Ų65107.4 Ų107.434%0.3454%0.542SS..  trans-97.5135.5166.1-65.7174000111.7M171 I174 W177L169-M171 CarbonylContact O-C 3.52Å; L169-M171 PolarHBondContact O-N 3.49Å; L169-M171 VanDerWaalsContact O-N 3.12Å; L169-I174 HydrophobicContact CB-CG2 4.12Å; L169-I174 HydrophobicContact CD1-CG2 3.58Å; L169-W177 HydrophobicContact CD1-CZ3 3.85Å
170W52.9Low63.4Low176 Ų176109.6 Ų109.667%0.66756%0.557SS**SBendtrans-55.6-18.6174.263.6-57.2000114.8E333W170-E333 HydrophobicContact CH2-CG 3.33Å; W170-E333 WeakPolarHBondContact CH2-OE1 3.3Å; W170-E333 VanDerWaalsContact CZ2-CD 3.42Å; W170-E333 HydrophobicContact CZ2-CG 4.03Å; W170-E333 WeakPolarHBondContact CZ2-OE1 2.84Å; W170-E333 HydrophobicContact CZ3-CG 4.05Å
171M56.6Low63.1Low68 Ų68102.7 Ų102.734%0.33554%0.538SS..SBendtrans-97.788162.9-72.4174.769.500110.6L169 S173 I174L169-M171 CarbonylContact O-C 3.52Å; L169-M171 PolarHBondContact O-N 3.49Å; L169-M171 VanDerWaalsContact O-N 3.12Å; M171-S173 PolarHBondContact O-N 2.96Å; M171-I174 HydrophobicContact CB-CB 4.08Å; M171-I174 HydrophobicContact CB-CG2 4.05Å; M171-I174 HydrophobicContact CE-CD1 4.41Å; M171-I174 VanDerWaalsContact O-CG2 3.23Å; M171-I174 WeakPolarHBondContact O-CG2 3.47Å; M171-I174 PolarHBondContact O-N 3.27Å; M171-I174 HydrophobicContact SD-CD1 4.43Å
172K56.7Low63Low212 Ų212100.1 Ų100.192%0.92253%0.526SS*.THydrogen-bonded Turntrans-57.2-18.5-169.9-64.4-174.4179.3-178.10116
173S62.6Low63.3Low103 Ų10399.2 Ų99.272%0.7253%0.529SS*.THydrogen-bonded Turntrans-100.6-5.1178.962.80000114.8M171M171-S173 PolarHBondContact O-N 2.96Å
174I62.8Low63.9Low60 Ų6097 Ų9731%0.30851%0.51SS..  trans-71.4137.5179-156.6174.1000109.8L169 M171L169-I174 HydrophobicContact CB-CG2 4.12Å; L169-I174 HydrophobicContact CD1-CG2 3.58Å; M171-I174 HydrophobicContact CB-CB 4.08Å; M171-I174 HydrophobicContact CB-CG2 4.05Å; M171-I174 HydrophobicContact CE-CD1 4.41Å; M171-I174 VanDerWaalsContact O-CG2 3.23Å; M171-I174 WeakPolarHBondContact O-CG2 3.47Å; M171-I174 PolarHBondContact O-N 3.27Å; M171-I174 HydrophobicContact SD-CD1 4.43Å
175K65.4Low64.6Low128 Ų12892 Ų9256%0.55748%0.484SS*.  trans-13343.8-176.1-57.5-177.5179178.70111.6W177 S178K175-W177 PolarHBondContact O-N 3.46Å; K175-W177 VanDerWaalsContact O-N 3.12Å; K175-S178 VanDerWaalsContact CB-OG 3.29Å; K175-S178 WeakPolarHBondContact CB-OG 3.33Å; K175-S178 PolarHBondContact O-N 3.05Å; K175-S178 PolarHBondContact O-OG 3.01Å; K175-S178 VanDerWaalsContact O-OG 3.05Å
176T66.4Low65.5Low87 Ų8785.2 Ų85.253%0.53445%0.453SS..G310 helixtrans-52-39.7-173.8-46.10000112.2S178 I179T176-S178 VanDerWaalsContact C-N 3.27Å; T176-S178 PolarHBondContact O-N 2.98Å; T176-I179 PolarHBondContact O-N 3.46Å
177W67.9Low66.6Low103 Ų10384.4 Ų84.439%0.3945%0.448SS..G310 helixtrans-68-19.5179.561.580.2000114.8L169 K175L169-W177 HydrophobicContact CD1-CZ3 3.85Å; K175-W177 PolarHBondContact O-N 3.46Å; K175-W177 VanDerWaalsContact O-N 3.12Å
178S62.9Low67.8Low77 Ų7781.6 Ų81.654%0.53842%0.424SS..G310 helixtrans-97.52.9178.775.20000113.1K175 T176K175-S178 VanDerWaalsContact CB-OG 3.29Å; K175-S178 WeakPolarHBondContact CB-OG 3.33Å; K175-S178 PolarHBondContact O-N 3.05Å; K175-S178 PolarHBondContact O-OG 3.01Å; K175-S178 VanDerWaalsContact O-OG 3.05Å; T176-S178 VanDerWaalsContact C-N 3.27Å; T176-S178 PolarHBondContact O-N 2.98Å
179I66.7Low68.9Low105 Ų10574.6 Ų74.654%0.53839%0.388SS..SBendtrans-106.8126.8178.7-61.5170.4000106.8T176 P181T176-I179 PolarHBondContact O-N 3.46Å; I179-P181 WeakPolarHBondContact O-CD 3.26Å
180V71.8Confident70.2Confident111 Ų11173.3 Ų73.367%0.67338%0.381SS*.  trans-82.1105.4167.3178.50000106.7A182V180-A182 PolarHBondContact O-N 2.83Å
181P74.4Confident71.6Confident49 Ų4966.6 Ų66.632%0.31836%0.358SS..  trans-83.5128.4-169.534.7-27.3000107.7I179 D183 L184 S185I179-P181 WeakPolarHBondContact O-CD 3.26Å; P181-D183 VanDerWaalsContact C-N 3.3Å; P181-D183 VanDerWaalsContact CB-OD1 3.26Å; P181-D183 WeakPolarHBondContact CB-OD1 3.29Å; P181-D183 PolarHBondContact O-N 2.71Å; P181-L184 HydrophobicContact CG-CB 3.77Å; P181-L184 HydrophobicContact CG-CD2 4.11Å; P181-L184 PolarHBondContact O-N 3.3Å; P181-S185 PolarHBondContact O-N 3.36Å; P181-S185 VanDerWaalsContact O-N 3.08Å; P181-S185 PolarHBondContact O-OG 3.37Å
182A75Confident72.4Confident13 Ų1363.8 Ų63.811%0.10735%0.345CS..Hα-helixtrans-78.8-16.8-168.800000113.2V180 S186 I216 L217V180-A182 PolarHBondContact O-N 2.83Å; A182-S186 VanDerWaalsContact O-CB 3.26Å; A182-S186 WeakPolarHBondContact O-CB 3.38Å; A182-S186 PolarHBondContact O-N 3.14Å; A182-S186 PolarHBondContact O-OG 3.43Å; A182-I216 WeakPolarHBondContact CB-O 3.5Å; A182-L217 HydrophobicContact CB-CB 3.53Å; A182-L217 HydrophobicContact CB-CD1 3.92Å; A182-L217 HydrophobicContact CB-CG 4.27Å
183D78.9Confident73.5Confident79 Ų7957.9 Ų57.942%0.42232%0.317SS..Hα-helixtrans-65.2-53.5164.354.8-7.9000111.9P181 S185 S186 T187 V220P181-D183 VanDerWaalsContact C-N 3.3Å; P181-D183 VanDerWaalsContact CB-OD1 3.26Å; P181-D183 WeakPolarHBondContact CB-OD1 3.29Å; P181-D183 PolarHBondContact O-N 2.71Å; D183-S185 PolarHBondContact O-N 2.65Å; D183-S186 WeakPolarHBondContact O-CB 3.17Å; D183-S186 PolarHBondContact O-N 3.22Å; D183-S186 VanDerWaalsContact O-N 3.08Å; D183-T187 PolarHBondContact O-N 3.09Å; D183-T187 PolarHBondContact O-OG1 2.89Å; D183-T187 VanDerWaalsContact O-OG1 3.1Å; D183-V220 HydrophobicContact CB-CG1 4.45Å
184L79.6Confident74.3Confident43 Ų4356.5 Ų56.523%0.22530%0.301CS..Hα-helixtrans-56.2-43.4174.8-179.860.8000110.7W158 P181 S186 T187 M188W158-L184 HydrophobicContact CE3-CD1 4.19Å; W158-L184 HydrophobicContact CZ3-CD1 4.38Å; P181-L184 HydrophobicContact CG-CB 3.77Å; P181-L184 HydrophobicContact CG-CD2 4.11Å; P181-L184 PolarHBondContact O-N 3.3Å; L184-S186 VanDerWaalsContact C-N 3.33Å; L184-S186 PolarHBondContact O-N 3.34Å; L184-T187 PolarHBondContact O-N 2.93Å; L184-M188 HydrophobicContact CD1-CG 4.44Å; L184-M188 WeakPolarHBondContact O-CB 3.35Å; L184-M188 VanDerWaalsContact O-CG 3.28Å; L184-M188 WeakPolarHBondContact O-CG 3.25Å; L184-M188 PolarHBondContact O-N 2.82Å
185S76.1Confident75Confident6 Ų654.4 Ų54.44%0.04229%0.291CS..Hα-helixtrans-64.4-38.5179.1-55.10000112.1P181 D183 C189P181-S185 PolarHBondContact O-N 3.36Å; P181-S185 VanDerWaalsContact O-N 3.08Å; P181-S185 PolarHBondContact O-OG 3.37Å; D183-S185 PolarHBondContact O-N 2.65Å; S185-C189 PolarHBondContact O-N 3.17Å; S185-C189 VanDerWaalsContact O-N 3.11Å
186S79.6Confident75.3Confident2 Ų249.6 Ų49.61%0.01427%0.274CS..Hα-helixtrans-68.4-42.2175.7-63.20000111.9A182 D183 L184 C189 M190 S224A182-S186 VanDerWaalsContact O-CB 3.26Å; A182-S186 WeakPolarHBondContact O-CB 3.38Å; A182-S186 PolarHBondContact O-N 3.14Å; A182-S186 PolarHBondContact O-OG 3.43Å; D183-S186 WeakPolarHBondContact O-CB 3.17Å; D183-S186 PolarHBondContact O-N 3.22Å; D183-S186 VanDerWaalsContact O-N 3.08Å; L184-S186 VanDerWaalsContact C-N 3.33Å; L184-S186 PolarHBondContact O-N 3.34Å; S186-C189 PolarHBondContact O-N 2.9Å; S186-M190 PolarHBondContact O-N 3.27Å; S186-S224 VanDerWaalsContact O-CB 3.24Å; S186-S224 WeakPolarHBondContact O-CB 2.87Å
187T81.4Confident75.7Confident60 Ų6050 Ų5037%0.36827%0.27SS..Hα-helixtrans-63.1-42.6175-58.50000111.2D183 L184 C189 M190 N191D183-T187 PolarHBondContact O-N 3.09Å; D183-T187 PolarHBondContact O-OG1 2.89Å; D183-T187 VanDerWaalsContact O-OG1 3.1Å; L184-T187 PolarHBondContact O-N 2.93Å; T187-C189 VanDerWaalsContact C-N 3.32Å; T187-C189 PolarHBondContact O-N 2.86Å; T187-M190 WeakPolarHBondContact O-CB 3.49Å; T187-M190 PolarHBondContact O-N 2.87Å; T187-M190 VanDerWaalsContact O-N 3.14Å; T187-N191 PolarHBondContact O-N 3.31Å; T187-N191 PolarHBondContact O-OD1 3.21Å
188M79.2Confident76Confident5 Ų548 Ų483%0.02527%0.267CS..Hα-helixtrans-61.2-40174.9-74.8-59.1-70.300112.4F155 W158 L159 L184 N191 A192F155-M188 HydrophobicContact CD2-CE 3.54Å; F155-M188 HydrophobicContact CD2-SD 4.29Å; F155-M188 HydrophobicContact CE2-CE 3.46Å; F155-M188 VanDerWaalsContact CE2-CE 3.46Å; F155-M188 HydrophobicContact CE2-SD 4.42Å; F155-M188 HydrophobicContact CG-CE 4.39Å; F155-M188 HydrophobicContact CZ-CE 4.26Å; W158-M188 HydrophobicContact CB-CE 3.62Å; W158-M188 HydrophobicContact CB-SD 3.39Å; W158-M188 WeakPolarHBondContact CB-SD 3.31Å; W158-M188 HydrophobicContact CG-SD 4.08Å; L159-M188 HydrophobicContact CD2-CE 4.01Å; L159-M188 HydrophobicContact CG-CE 3.93Å; L184-M188 HydrophobicContact CD1-CG 4.44Å; L184-M188 WeakPolarHBondContact O-CB 3.35Å; L184-M188 VanDerWaalsContact O-CG 3.28Å; L184-M188 WeakPolarHBondContact O-CG 3.25Å; L184-M188 PolarHBondContact O-N 2.82Å; M188-N191 PolarHBondContact O-N 3.25Å; M188-A192 PolarHBondContact O-N 3.32Å
189C76.6Confident76.4Confident15 Ų1544.6 Ų44.610%0.10124%0.243CC..Hα-helixtrans-66.3-40.3173.9172.30000112.1S185 S186 T187 N191 A192 R193 P213 C226S185-C189 PolarHBondContact O-N 3.17Å; S185-C189 VanDerWaalsContact O-N 3.11Å; S186-C189 PolarHBondContact O-N 2.9Å; T187-C189 VanDerWaalsContact C-N 3.32Å; T187-C189 PolarHBondContact O-N 2.86Å; C189-N191 VanDerWaalsContact C-N 3.33Å; C189-N191 PolarHBondContact O-N 3.06Å; C189-A192 PolarHBondContact O-N 3Å; C189-R193 PolarHBondContact O-N 3.25Å; C189-P213 HydrophobicContact CB-CB 4.44Å; C189-P213 HydrophobicContact CB-CG 3.84Å; C189-C226 HydrophobicContact CB-CB 3.73Å; C189-C226 WeakPolarHBondContact CB-SG 3.34Å; C189-C226 WeakPolarHBondContact SG-CB 3.4Å; C189-C226 CovalentContact SG-SG 2.01Å; C189-C226 PolarHBondContact SG-SG 3.31Å
190M80.5Confident76.8Confident38 Ų3844.8 Ų44.819%0.18724%0.24CC..Hα-helixtrans-59.3-44.8173.5-169.7173.2-175.700111.4S186 T187 R193 L194 Y223S186-M190 PolarHBondContact O-N 3.27Å; T187-M190 WeakPolarHBondContact O-CB 3.49Å; T187-M190 PolarHBondContact O-N 2.87Å; T187-M190 VanDerWaalsContact O-N 3.14Å; M190-R193 PolarHBondContact O-N 2.69Å; M190-L194 HydrophobicContact CG-CD1 4.16Å; M190-L194 WeakPolarHBondContact O-CG 3.34Å; M190-L194 PolarHBondContact O-N 3.02Å; M190-Y223 HydrophobicContact SD-CE1 4.22Å
191N81.9Confident77Confident35 Ų3547.7 Ų47.719%0.18724%0.243CC..Hα-helixtrans-61.3-46.4177.5-747.3000111.6F155 T187 M188 C189 R193 L194 L195F155-N191 HydrophobicContact CD2-CB 3.91Å; F155-N191 HydrophobicContact CE2-CB 4.25Å; T187-N191 PolarHBondContact O-N 3.31Å; T187-N191 PolarHBondContact O-OD1 3.21Å; M188-N191 PolarHBondContact O-N 3.25Å; C189-N191 VanDerWaalsContact C-N 3.33Å; C189-N191 PolarHBondContact O-N 3.06Å; N191-R193 VanDerWaalsContact C-N 3.32Å; N191-R193 PolarHBondContact O-N 3.18Å; N191-L194 PolarHBondContact O-N 3.33Å; N191-L195 WeakPolarHBondContact O-CB 3.31Å; N191-L195 WeakPolarHBondContact O-CG 3.4Å; N191-L195 PolarHBondContact O-N 3.45Å
192A75.2Confident77.1Confident9 Ų949.2 Ų49.27%0.07425%0.252CS..Hα-helixtrans-57.6-44.817600000111.9F155 M188 C189 L195 A196 I211F155-A192 HydrophobicContact CE2-CB 4.02Å; F155-A192 HydrophobicContact CZ-CB 3.86Å; M188-A192 PolarHBondContact O-N 3.32Å; C189-A192 PolarHBondContact O-N 3Å; A192-L195 PolarHBondContact O-N 3.43Å; A192-A196 WeakPolarHBondContact O-CB 3.12Å; A192-A196 PolarHBondContact O-N 3.26Å; A192-I211 HydrophobicContact CB-CB 4.17Å; A192-I211 HydrophobicContact CB-CG2 3.96Å
193R78.4Confident77.1Confident88 Ų8851.2 Ų51.233%0.33227%0.273SS..Hα-helixtrans-63.8-42.7177.2-175.8171.564.5107-2.7112.4C189 M190 N191 A196 E197 S224C189-R193 PolarHBondContact O-N 3.25Å; M190-R193 PolarHBondContact O-N 2.69Å; N191-R193 VanDerWaalsContact C-N 3.32Å; N191-R193 PolarHBondContact O-N 3.18Å; R193-A196 PolarHBondContact O-N 2.75Å; R193-E197 PolarHBondContact O-N 3.41Å; R193-E197 VanDerWaalsContact O-N 3.08Å; R193-S224 PolarHBondContact NH2-O 2.91Å
194L80.8Confident76.6Confident73 Ų7350 Ų5038%0.38227%0.266SS..Hα-helixtrans-65-45177.5-72.7171000111.6M190 N191 A196 E197 L198M190-L194 HydrophobicContact CG-CD1 4.16Å; M190-L194 WeakPolarHBondContact O-CG 3.34Å; M190-L194 PolarHBondContact O-N 3.02Å; N191-L194 PolarHBondContact O-N 3.33Å; L194-A196 VanDerWaalsContact C-N 3.3Å; L194-A196 PolarHBondContact O-N 2.93Å; L194-E197 PolarHBondContact O-N 3.41Å; L194-L198 WeakPolarHBondContact O-CB 3.42Å; L194-L198 WeakPolarHBondContact O-CG 3.19Å; L194-L198 PolarHBondContact O-N 3.27Å
195L77Confident76.1Confident17 Ų1753.2 Ų53.29%0.08928%0.283CS..Hα-helixtrans-58.9-41.6175.3-78.1171.9000111.6M151 E152 F155 N191 A192 L198 N199M151-L195 HydrophobicContact CB-CD2 3.79Å; M151-L195 HydrophobicContact CE-CD2 4.2Å; E152-L195 HydrophobicContact CG-CD2 3.9Å; F155-L195 HydrophobicContact CB-CD1 3.77Å; F155-L195 HydrophobicContact CD1-CD1 3.93Å; F155-L195 HydrophobicContact CD2-CD1 4.21Å; F155-L195 HydrophobicContact CG-CD1 3.71Å; N191-L195 WeakPolarHBondContact O-CB 3.31Å; N191-L195 WeakPolarHBondContact O-CG 3.4Å; N191-L195 PolarHBondContact O-N 3.45Å; A192-L195 PolarHBondContact O-N 3.43Å; L195-L198 PolarHBondContact O-N 3.26Å; L195-N199 VanDerWaalsContact O-CB 3.31Å; L195-N199 WeakPolarHBondContact O-CB 3.39Å; L195-N199 PolarHBondContact O-N 3.36Å; L195-N199 PolarHBondContact O-ND2 2.94Å
196A71.1Confident75.6Confident26 Ų2660.3 Ų60.322%0.21532%0.321CS..Hα-helixtrans-63.8-44.8176.800000112.5A192 R193 L194 K200A192-A196 WeakPolarHBondContact O-CB 3.12Å; A192-A196 PolarHBondContact O-N 3.26Å; R193-A196 PolarHBondContact O-N 2.75Å; L194-A196 VanDerWaalsContact C-N 3.3Å; L194-A196 PolarHBondContact O-N 2.93Å; A196-K200 WeakPolarHBondContact O-CB 3.38Å; A196-K200 PolarHBondContact O-N 3.4Å
197E74.6Confident74.7Confident95 Ų9564.9 Ų64.944%0.44434%0.341SS..Hα-helixtrans-68.1-36.7177.6-73.2-59.8142.200112.7R193 L194 K201R193-E197 PolarHBondContact O-N 3.41Å; R193-E197 VanDerWaalsContact O-N 3.08Å; L194-E197 PolarHBondContact O-N 3.41Å; E197-K201 WeakPolarHBondContact O-CG 3.39Å; E197-K201 PolarHBondContact O-N 3.09Å; E197-K201 VanDerWaalsContact O-N 3.08Å
198L74.3Confident73.3Confident62 Ų6267.9 Ų67.933%0.32535%0.349SS..Hα-helixtrans-66.6-49.4175-73.8172.4000111.2M151 L194 L195 K200 K201 V202M151-L198 HydrophobicContact CE-CD1 3.6Å; M151-L198 HydrophobicContact SD-CD1 3.7Å; L194-L198 WeakPolarHBondContact O-CB 3.42Å; L194-L198 WeakPolarHBondContact O-CG 3.19Å; L194-L198 PolarHBondContact O-N 3.27Å; L195-L198 PolarHBondContact O-N 3.26Å; L198-K200 PolarHBondContact O-N 3.01Å; L198-K201 WeakPolarHBondContact O-CB 3.4Å; L198-K201 PolarHBondContact O-N 2.67Å; L198-V202 WeakPolarHBondContact O-CG2 3.42Å; L198-V202 PolarHBondContact O-N 3.43Å
199N72.6Confident71.7Confident6 Ų675.6 Ų75.63%0.03238%0.384CS..Hα-helixtrans-56-40.4176.2-87-71.3000111.7L195 V202 G203 N204 K207L195-N199 VanDerWaalsContact O-CB 3.31Å; L195-N199 WeakPolarHBondContact O-CB 3.39Å; L195-N199 PolarHBondContact O-N 3.36Å; L195-N199 PolarHBondContact O-ND2 2.94Å; N199-V202 WeakPolarHBondContact O-CG2 3.31Å; N199-V202 PolarHBondContact O-N 3.01Å; N199-G203 PolarHBondContact O-N 3.24Å; N199-N204 HydrophobicContact CB-CB 4.28Å; N199-N204 PolarHBondContact O-N 2.75Å; N199-N204 WeakPolarHBondContact OD1-CB 3.04Å; N199-N204 PolarHBondContact OD1-ND2 3.29Å; N199-K207 HydrophobicContact CB-CB 4.32Å
200K74.3Confident70.2Confident109 Ų10985 Ų8547%0.47442%0.419SS..Hα-helixtrans-60.9-44173-179.8-175.3173.2-169.70112.6A196 L198 G203A196-K200 WeakPolarHBondContact O-CB 3.38Å; A196-K200 PolarHBondContact O-N 3.4Å; L198-K200 PolarHBondContact O-N 3.01Å; K200-G203 PolarHBondContact O-N 3.15Å
201K76.3Confident68.1Low172 Ų17286.6 Ų86.675%0.74843%0.428SS*.Hα-helixtrans-67.3-33.2-179.6-78.3176.5176.8-112.20113.2E197 L198E197-K201 WeakPolarHBondContact O-CG 3.39Å; E197-K201 PolarHBondContact O-N 3.09Å; E197-K201 VanDerWaalsContact O-N 3.08Å; L198-K201 WeakPolarHBondContact O-CB 3.4Å; L198-K201 PolarHBondContact O-N 2.67Å
202V75.7Confident65.6Low81 Ų8195.3 Ų95.349%0.49146%0.464SS..THydrogen-bonded Turntrans-890.9178.7-58.20000113.7M148 L198 N199 N204M148-V202 HydrophobicContact CE-CB 4.22Å; M148-V202 HydrophobicContact CE-CG1 3.98Å; M148-V202 HydrophobicContact CE-CG2 3.86Å; M148-V202 HydrophobicContact SD-CB 4.3Å; M148-V202 HydrophobicContact SD-CG1 3.77Å; M148-V202 HydrophobicContact SD-CG2 3.71Å; L198-V202 WeakPolarHBondContact O-CG2 3.42Å; L198-V202 PolarHBondContact O-N 3.43Å; N199-V202 WeakPolarHBondContact O-CG2 3.31Å; N199-V202 PolarHBondContact O-N 3.01Å; V202-N204 HydrophobicContact CG2-CB 4.12Å
203G75.2Confident63.6Low54 Ų5495.8 Ų95.856%0.55747%0.467SS*.THydrogen-bonded Turntrans8410.3177.300000115.4N199 K200 L205N199-G203 PolarHBondContact O-N 3.24Å; K200-G203 PolarHBondContact O-N 3.15Å; G203-L205 VanDerWaalsContact C-N 3.32Å; G203-L205 PolarHBondContact O-N 2.65Å; G203-L205 VanDerWaalsContact O-N 3.09Å
204N69.5Low61.2Low53 Ų5397.4 Ų97.428%0.28348%0.478SS..  trans-86.970.3177.6-168.56.5000111.1N199 V202 D206 K207N199-N204 HydrophobicContact CB-CB 4.28Å; N199-N204 PolarHBondContact O-N 2.75Å; N199-N204 WeakPolarHBondContact OD1-CB 3.04Å; N199-N204 PolarHBondContact OD1-ND2 3.29Å; V202-N204 HydrophobicContact CG2-CB 4.12Å; N204-D206 VanDerWaalsContact C-N 3.29Å; N204-D206 PolarHBondContact O-N 3.38Å; N204-K207 WeakPolarHBondContact ND2-CD 3.26Å; N204-K207 WeakPolarHBondContact ND2-CE 3.47Å; N204-K207 WeakPolarHBondContact ND2-CG 3.33Å; N204-K207 PolarHBondContact O-N 3.04Å
205L68Low59Low111 Ų11199 Ų9958%0.58148%0.48SS*.G310 helixtrans-69.4-23.8-170.4-62.8176.8000113.7G203 K207 K208G203-L205 VanDerWaalsContact C-N 3.32Å; G203-L205 PolarHBondContact O-N 2.65Å; G203-L205 VanDerWaalsContact O-N 3.09Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 2.83Å; L205-K208 WeakPolarHBondContact O-CB 3.41Å; L205-K208 PolarHBondContact O-N 2.84Å
206D65Low56.7Low155 Ų155104.4 Ų104.483%0.82951%0.507SS*.G310 helixtrans-69.9-25.7-179.3-62.8-24.1000112.6N204 K208N204-D206 VanDerWaalsContact C-N 3.29Å; N204-D206 PolarHBondContact O-N 3.38Å; D206-K208 VanDerWaalsContact C-N 3.3Å; D206-K208 PolarHBondContact O-N 3.4Å
207K61.5Low55.5Low99 Ų99107.3 Ų107.343%0.4352%0.518SS..G310 helixtrans-843176.2-69.2-164.1-175.81690114.2E152 N199 N204 L205E152-K207 VanDerWaalsContact OE1-CD 3.31Å; E152-K207 WeakPolarHBondContact OE1-CD 3.31Å; E152-K207 IonicContact OE1-NZ 2.66Å; E152-K207 PolarHBondContact OE1-NZ 2.95Å; E152-K207 IonicContact OE2-NZ 3.77Å; E152-K207 PolarHBondContact OE2-NZ 3.09Å; N199-K207 HydrophobicContact CB-CB 4.32Å; N204-K207 WeakPolarHBondContact ND2-CD 3.26Å; N204-K207 WeakPolarHBondContact ND2-CE 3.47Å; N204-K207 WeakPolarHBondContact ND2-CG 3.33Å; N204-K207 PolarHBondContact O-N 3.04Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 2.83Å
208K51.4Low55Low123 Ų123105.4 Ų105.454%0.53551%0.511SS..G310 helixtrans-74-32-175.2-175.8-175.2171.5-166.60113.2L205 D206 Y210L205-K208 WeakPolarHBondContact O-CB 3.41Å; L205-K208 PolarHBondContact O-N 2.84Å; D206-K208 VanDerWaalsContact C-N 3.3Å; D206-K208 PolarHBondContact O-N 3.4Å; K208-Y210 PolarHBondContact O-N 3.08Å
209E45.6Very low54.8Low166 Ų166103 Ų10378%0.77650%0.501SS*.SBendtrans-85.6100.7175.4-80.9-173.6145.300108.3
210Y45.2Very low55Low213 Ų213103.5 Ų103.584%0.83550%0.504SS*.  trans175138.8143.8-103.8-77.1000111K208K208-Y210 PolarHBondContact O-N 3.08Å
211I37.6Very low55Low72 Ų7298.5 Ų98.537%0.36948%0.482SS..  trans90.291.6164.8-52.7162000116.3F155 L159 A192 P213F155-I211 HydrophobicContact CE1-CD1 3.45Å; F155-I211 VanDerWaalsContact CE1-CD1 3.45Å; F155-I211 HydrophobicContact CZ-CD1 3.52Å; L159-I211 HydrophobicContact CD1-CD1 4.29Å; A192-I211 HydrophobicContact CB-CB 4.17Å; A192-I211 HydrophobicContact CB-CG2 3.96Å; I211-P213 HydrophobicContact CG2-CG 3.52Å; I211-P213 WeakPolarHBondContact O-CD 3.46Å
212K29.6Very low55.2Low217 Ų21790.3 Ų90.394%0.94345%0.447SS*.  trans-104.497.4155.8-82.4-176.5172.2-177.90109.5
213P32Very low55.5Low20 Ų2087.5 Ų87.513%0.1343%0.428CS..  trans-93.3144.2167.18.312.1000110.5C189 I211 Y215C189-P213 HydrophobicContact CB-CB 4.44Å; C189-P213 HydrophobicContact CB-CG 3.84Å; I211-P213 HydrophobicContact CG2-CG 3.52Å; I211-P213 WeakPolarHBondContact O-CD 3.46Å; P213-Y215 HydrophobicContact CB-CD2 4.01Å; P213-Y215 HydrophobicContact CB-CE2 3.63Å
214H28Very low55.7Low121 Ų12185 Ų8556%0.5640%0.402SS*.  trans-127.7119178.6-160.179.6000108.9C226H214-C226 PolarHBondContact ND1-O 2.87Å
215Y34.6Very low56.1Low108 Ų10889.1 Ų89.142%0.42441%0.413SS..  trans-150.9152.9-178-63-74000113.1P213P213-Y215 HydrophobicContact CB-CD2 4.01Å; P213-Y215 HydrophobicContact CB-CE2 3.63Å
216I28.8Very low56.3Low129 Ų12984.6 Ų84.666%0.66239%0.391SS*.  trans-108.799.5-161.8-61.3170.2000110.8A182A182-I216 WeakPolarHBondContact CB-O 3.5Å
217L46.4Very low56.5Low87 Ų8778.1 Ų78.146%0.45536%0.357SS..  trans-134.2123.6145.7-142.277.3000106.9A182 A219 V220 A221A182-L217 HydrophobicContact CB-CB 3.53Å; A182-L217 HydrophobicContact CB-CD1 3.92Å; A182-L217 HydrophobicContact CB-CG 4.27Å; L217-A219 PolarHBondContact O-N 3.32Å; L217-A219 VanDerWaalsContact O-N 3.09Å; L217-V220 HydrophobicContact CD2-CG2 4.42Å; L217-V220 PolarHBondContact O-N 3.23Å; L217-A221 WeakPolarHBondContact O-CB 3.43Å; L217-A221 PolarHBondContact O-N 3.02Å; L217-A221 VanDerWaalsContact O-N 3.12Å
218N62.6Low56.7Low55 Ų5578.8 Ų78.829%0.29437%0.365SS..THydrogen-bonded Turntrans-56.8-41.7-147.2-69.2-20.3000114.4V237 Y240N218-V237 HydrophobicContact CB-CB 4.09Å; N218-V237 HydrophobicContact CB-CG1 3.73Å; N218-V237 HydrophobicContact CB-CG2 3.78Å; N218-V237 WeakPolarHBondContact O-CG1 3.31Å; N218-V237 WeakPolarHBondContact O-CG2 3.47Å; N218-Y240 WeakPolarHBondContact ND2-CD1 3.49Å; N218-Y240 WeakPolarHBondContact ND2-CE1 3.22Å
219A70.8Confident57.2Low13 Ų1376 Ų7611%0.10736%0.358CS..THydrogen-bonded Turntrans-98.4-31.1178.900000115.2L217 A221 L222 Y223 V237 M241 I277L217-A219 PolarHBondContact O-N 3.32Å; L217-A219 VanDerWaalsContact O-N 3.09Å; A219-A221 PolarHBondContact O-N 3.12Å; A219-L222 WeakPolarHBondContact O-CB 3.49Å; A219-L222 PolarHBondContact O-N 3.12Å; A219-L222 VanDerWaalsContact O-N 3.1Å; A219-Y223 PolarHBondContact O-N 3.12Å; A219-V237 HydrophobicContact CB-CG1 4.3Å; A219-M241 HydrophobicContact CB-SD 4.15Å; A219-I277 HydrophobicContact CB-CG1 4.09Å
220V76.5Confident58.1Low16 Ų1673.8 Ų73.810%0.09735%0.348CS..Hα-helixtrans-66.3-32.9-179.9-1730000110.8D183 L217 L222 Y223 S224 M276D183-V220 HydrophobicContact CB-CG1 4.45Å; L217-V220 HydrophobicContact CD2-CG2 4.42Å; L217-V220 PolarHBondContact O-N 3.23Å; V220-L222 VanDerWaalsContact C-N 3.31Å; V220-L222 PolarHBondContact O-N 3.28Å; V220-Y223 HydrophobicContact CG1-CD1 4.5Å; V220-Y223 WeakPolarHBondContact O-CB 3.43Å; V220-Y223 PolarHBondContact O-N 3.24Å; V220-S224 PolarHBondContact O-N 3.22Å; V220-S224 PolarHBondContact O-OG 2.94Å; V220-M276 HydrophobicContact CG1-SD 4.01Å; V220-M276 HydrophobicContact CG2-SD 3.87Å
221A75.4Confident59.3Low3 Ų367.3 Ų67.33%0.02533%0.328CS..Hα-helixtrans-67.4-32.3174.900000112.6L217 A219 S224 R225 C226 V227L217-A221 WeakPolarHBondContact O-CB 3.43Å; L217-A221 PolarHBondContact O-N 3.02Å; L217-A221 VanDerWaalsContact O-N 3.12Å; A219-A221 PolarHBondContact O-N 3.12Å; A221-S224 PolarHBondContact O-OG 3.48Å; A221-R225 PolarHBondContact O-N 3.1Å; A221-C226 PolarHBondContact O-N 3.36Å; A221-C226 VanDerWaalsContact O-N 3.12Å; A221-V227 HydrophobicContact CB-CG1 3.69Å; A221-V227 HydrophobicContact CB-CG2 4.39Å
222L80.5Confident61.3Low1 Ų167.6 Ų67.61%0.00533%0.333CS..Hα-helixtrans-67.9-47169.6-61.7173000110A219 V220 S224 R225 V227 A234 V237 F281 S283 T284A219-L222 WeakPolarHBondContact O-CB 3.49Å; A219-L222 PolarHBondContact O-N 3.12Å; A219-L222 VanDerWaalsContact O-N 3.1Å; V220-L222 VanDerWaalsContact C-N 3.31Å; V220-L222 PolarHBondContact O-N 3.28Å; L222-S224 PolarHBondContact O-N 2.98Å; L222-R225 WeakPolarHBondContact O-CA 3.43Å; L222-R225 PolarHBondContact O-N 3.3Å; L222-V227 HydrophobicContact CD2-CG2 3.66Å; L222-V227 HydrophobicContact CG-CG2 4.42Å; L222-A234 HydrophobicContact CD1-CB 3.99Å; L222-A234 HydrophobicContact CD2-CB 3.71Å; L222-V237 HydrophobicContact CD1-CB 4.1Å; L222-V237 HydrophobicContact CD1-CG1 3.83Å; L222-V237 HydrophobicContact CD1-CG2 4.25Å; L222-F281 HydrophobicContact CD1-CD1 3.79Å; L222-F281 HydrophobicContact CD1-CE1 3.81Å; L222-S283 PolarHBondContact O-OG 2.92Å; L222-S283 VanDerWaalsContact O-OG 3.08Å; L222-T284 HydrophobicContact CD2-CG2 4.21Å
223Y81.9Confident63.9Low22 Ų2259.7 Ų59.79%0.08630%0.303CS..Hα-helixtrans-55.9-46.5176.9170.6-114.1000113F99 M190 A219 V220 R225 M276 E279F99-Y223 VanDerWaalsContact CE1-OH 3.27Å; F99-Y223 WeakPolarHBondContact CE1-OH 3.15Å; F99-Y223 VanDerWaalsContact CZ-OH 3.23Å; F99-Y223 WeakPolarHBondContact CZ-OH 3.09Å; M190-Y223 HydrophobicContact SD-CE1 4.22Å; A219-Y223 PolarHBondContact O-N 3.12Å; V220-Y223 HydrophobicContact CG1-CD1 4.5Å; V220-Y223 WeakPolarHBondContact O-CB 3.43Å; V220-Y223 PolarHBondContact O-N 3.24Å; Y223-R225 PolarHBondContact O-N 3.15Å; Y223-M276 HydrophobicContact CD1-CB 4.25Å; Y223-M276 HydrophobicContact CD1-CG 3.75Å; Y223-M276 HydrophobicContact CD1-SD 4.19Å; Y223-M276 HydrophobicContact CE1-CG 3.99Å; Y223-M276 HydrophobicContact CG-CB 4.1Å; Y223-M276 HydrophobicContact CG-CG 4.07Å; Y223-E279 HydrophobicContact CD2-CB 3.78Å; Y223-E279 HydrophobicContact CE2-CB 4.09Å; Y223-E279 WeakPolarHBondContact CE2-OE2 3.26Å
224S79.2Confident66.3Low1 Ų158.8 Ų58.81%0.00730%0.297CS..Hα-helixtrans-71.2-16.9178.266.90000113.5S186 R193 V220 A221 L222 C226S186-S224 VanDerWaalsContact O-CB 3.24Å; S186-S224 WeakPolarHBondContact O-CB 2.87Å; R193-S224 PolarHBondContact NH2-O 2.91Å; V220-S224 PolarHBondContact O-N 3.22Å; V220-S224 PolarHBondContact O-OG 2.94Å; A221-S224 PolarHBondContact O-OG 3.48Å; L222-S224 PolarHBondContact O-N 2.98Å; S224-C226 VanDerWaalsContact OG-CB 3.31Å; S224-C226 WeakPolarHBondContact OG-CB 3.09Å; S224-C226 PolarHBondContact OG-SG 3.08Å; S224-C226 VanDerWaalsContact OG-SG 3.37Å
225R77.9Confident69.1Low139 Ų13955.1 Ų55.153%0.52528%0.281SS..THydrogen-bonded Turntrans60.741.3-173.1-48.8-175.6-169.7-174.7-4.6112.6A221 L222 Y223A221-R225 PolarHBondContact O-N 3.1Å; L222-R225 WeakPolarHBondContact O-CA 3.43Å; L222-R225 PolarHBondContact O-N 3.3Å; Y223-R225 PolarHBondContact O-N 3.15Å
226C71.4Confident71.6Confident16 Ų1658.2 Ų58.211%0.10829%0.292CS..  trans-109.23.5-175.7-68.80000114.1C189 H214 A221 S224C189-C226 HydrophobicContact CB-CB 3.73Å; C189-C226 WeakPolarHBondContact CB-SG 3.34Å; C189-C226 WeakPolarHBondContact SG-CB 3.4Å; C189-C226 CovalentContact SG-SG 2.01Å; C189-C226 PolarHBondContact SG-SG 3.31Å; H214-C226 PolarHBondContact ND1-O 2.87Å; A221-C226 PolarHBondContact O-N 3.36Å; A221-C226 VanDerWaalsContact O-N 3.12Å; S224-C226 VanDerWaalsContact OG-CB 3.31Å; S224-C226 WeakPolarHBondContact OG-CB 3.09Å; S224-C226 PolarHBondContact OG-SG 3.08Å; S224-C226 VanDerWaalsContact OG-SG 3.37Å
227V70.7Confident74.2Confident20 Ų2052.5 Ų52.512%0.12126%0.263CS..SBendtrans-105.9154165.8-70.80000109A221 L222 T229A221-V227 HydrophobicContact CB-CG1 3.69Å; A221-V227 HydrophobicContact CB-CG2 4.39Å; L222-V227 HydrophobicContact CD2-CG2 3.66Å; L222-V227 HydrophobicContact CG-CG2 4.42Å; V227-T229 PolarHBondContact O-N 3.45Å; V227-T229 VanDerWaalsContact O-N 3.08Å
228D65.3Low76Confident112 Ų11249.8 Ų49.860%0.59925%0.246SC*.  trans-58.5118.9170.4-134.1-28.3000107.3E230D228-E230 PolarHBondContact O-N 2.8Å
229T60.8Low77.1Confident65 Ų6553 Ų5340%0.39926%0.258SS..  trans-76.330.6-17654.60000111.1V227 N231V227-T229 PolarHBondContact O-N 3.45Å; V227-T229 VanDerWaalsContact O-N 3.08Å; T229-N231 PolarHBondContact O-N 2.89Å
230E65.1Low77.6Confident119 Ų11958.7 Ų58.756%0.55628%0.277SS*.  trans-59.4124.9166.1-68.5-167.1167.900107.9D228 V232 V233D228-E230 PolarHBondContact O-N 2.8Å; E230-V232 PolarHBondContact O-N 3.41Å; E230-V233 PolarHBondContact O-N 2.65Å
231N70.1Confident77.8Confident77 Ų7758.6 Ų58.641%0.41228%0.276SS..Hα-helixtrans-48.1-26.8179.3-72.8-23.5000113T229 M235T229-N231 PolarHBondContact O-N 2.89Å; N231-M235 VanDerWaalsContact O-CB 3.31Å; N231-M235 WeakPolarHBondContact O-CB 3.36Å; N231-M235 VanDerWaalsContact O-CG 3.27Å; N231-M235 WeakPolarHBondContact O-CG 3.23Å; N231-M235 PolarHBondContact O-N 3.31Å
232V80.6Confident78Confident78 Ų7862.7 Ų62.747%0.47330%0.295SS..Hα-helixtrans-62.4-45177.3-176.80000112.4E230 R236E230-V232 PolarHBondContact O-N 3.41Å; V232-R236 VanDerWaalsContact O-CG 3.27Å; V232-R236 WeakPolarHBondContact O-CG 3.49Å; V232-R236 PolarHBondContact O-N 3.1Å; V232-R236 VanDerWaalsContact O-N 3.08Å
233V82.4Confident77.7Confident52 Ų5268.4 Ų68.432%0.31533%0.33SS..Hα-helixtrans-69-47.4-178.6177.40000109.8E230 M235 R236 V237E230-V233 PolarHBondContact O-N 2.65Å; V233-M235 VanDerWaalsContact C-N 3.33Å; V233-M235 PolarHBondContact O-N 3.02Å; V233-R236 WeakPolarHBondContact O-CB 3.02Å; V233-R236 PolarHBondContact O-N 2.93Å; V233-R236 VanDerWaalsContact O-N 3.07Å; V233-V237 WeakPolarHBondContact O-CG2 3.44Å; V233-V237 PolarHBondContact O-N 3.35Å
234A84.2Confident77.1Confident1 Ų170 Ų701%0.00834%0.342CS..Hα-helixtrans-62.6-39-179.700000112.7L222 V237 Y238 T284 L289L222-A234 HydrophobicContact CD1-CB 3.99Å; L222-A234 HydrophobicContact CD2-CB 3.71Å; A234-V237 WeakPolarHBondContact O-CB 3.42Å; A234-V237 PolarHBondContact O-N 2.97Å; A234-Y238 PolarHBondContact O-N 2.99Å; A234-T284 HydrophobicContact CB-CG2 3.55Å; A234-L289 HydrophobicContact CB-CD1 3.35Å
235M85.8Confident76.5Confident44 Ų4472 Ų7222%0.21736%0.363CS..Hα-helixtrans-67.9-33173.3-75-60.3-66.500112.9N231 V233 Y238 K239 L289N231-M235 VanDerWaalsContact O-CB 3.31Å; N231-M235 WeakPolarHBondContact O-CB 3.36Å; N231-M235 VanDerWaalsContact O-CG 3.27Å; N231-M235 WeakPolarHBondContact O-CG 3.23Å; N231-M235 PolarHBondContact O-N 3.31Å; V233-M235 VanDerWaalsContact C-N 3.33Å; V233-M235 PolarHBondContact O-N 3.02Å; M235-Y238 HydrophobicContact CE-CD1 4.01Å; M235-Y238 HydrophobicContact CE-CE1 4.38Å; M235-Y238 PolarHBondContact O-N 3.47Å; M235-Y238 HydrophobicContact SD-CD1 4.39Å; M235-K239 WeakPolarHBondContact O-CB 3Å; M235-K239 VanDerWaalsContact O-CG 3.32Å; M235-K239 WeakPolarHBondContact O-CG 3.29Å; M235-K239 PolarHBondContact O-N 2.98Å; M235-L289 HydrophobicContact CG-CD1 4.46Å; M235-L289 HydrophobicContact SD-CD1 4.16Å; M235-L289 HydrophobicContact SD-CD2 3.52Å; M235-L289 VanDerWaalsContact SD-CD2 3.52Å; M235-L289 HydrophobicContact SD-CG 3.66Å
236R86.2Confident76Confident173 Ų17366.1 Ų66.165%0.65334%0.343SS*.Hα-helixtrans-65.9-40.5172.8-75.1173-174.8-178.24.3111.6V232 V233 K239 Y240V232-R236 VanDerWaalsContact O-CG 3.27Å; V232-R236 WeakPolarHBondContact O-CG 3.49Å; V232-R236 PolarHBondContact O-N 3.1Å; V232-R236 VanDerWaalsContact O-N 3.08Å; V233-R236 WeakPolarHBondContact O-CB 3.02Å; V233-R236 PolarHBondContact O-N 2.93Å; V233-R236 VanDerWaalsContact O-N 3.07Å; R236-K239 PolarHBondContact O-N 3.49Å; R236-Y240 WeakPolarHBondContact O-CB 3.4Å; R236-Y240 PolarHBondContact O-N 3.33Å
237V84Confident75.9Confident9 Ų967.6 Ų67.66%0.05535%0.348CS..Hα-helixtrans-57.1-51.5173162.90000110.2N218 A219 L222 V233 A234 Y240 M241 F281N218-V237 HydrophobicContact CB-CB 4.09Å; N218-V237 HydrophobicContact CB-CG1 3.73Å; N218-V237 HydrophobicContact CB-CG2 3.78Å; N218-V237 WeakPolarHBondContact O-CG1 3.31Å; N218-V237 WeakPolarHBondContact O-CG2 3.47Å; A219-V237 HydrophobicContact CB-CG1 4.3Å; L222-V237 HydrophobicContact CD1-CB 4.1Å; L222-V237 HydrophobicContact CD1-CG1 3.83Å; L222-V237 HydrophobicContact CD1-CG2 4.25Å; V233-V237 WeakPolarHBondContact O-CG2 3.44Å; V233-V237 PolarHBondContact O-N 3.35Å; A234-V237 WeakPolarHBondContact O-CB 3.42Å; A234-V237 PolarHBondContact O-N 2.97Å; V237-Y240 WeakPolarHBondContact O-CB 3.3Å; V237-Y240 PolarHBondContact O-N 2.84Å; V237-M241 HydrophobicContact CG1-SD 4.06Å; V237-M241 WeakPolarHBondContact O-CG 3.49Å; V237-M241 PolarHBondContact O-N 2.91Å; V237-F281 HydrophobicContact CG1-CE1 3.98Å; V237-F281 HydrophobicContact CG1-CZ 4.46Å
238Y85Confident75.2Confident29 Ų2967.1 Ų67.111%0.11435%0.345CS..Hα-helixtrans-59.4-48.6177.9165.3-108.8000112.4A234 M235 Y240 M241 E242 F247 F281 L289 I292A234-Y238 PolarHBondContact O-N 2.99Å; M235-Y238 HydrophobicContact CE-CD1 4.01Å; M235-Y238 HydrophobicContact CE-CE1 4.38Å; M235-Y238 PolarHBondContact O-N 3.47Å; M235-Y238 HydrophobicContact SD-CD1 4.39Å; Y238-Y240 VanDerWaalsContact C-N 3.28Å; Y238-Y240 PolarHBondContact O-N 2.86Å; Y238-M241 WeakPolarHBondContact O-CB 3.26Å; Y238-M241 PolarHBondContact O-N 3.24Å; Y238-M241 VanDerWaalsContact O-N 3.1Å; Y238-E242 PolarHBondContact O-N 3.45Å; Y238-F247 HydrophobicContact CE2-CD2 4.07Å; Y238-F247 AromaticContact CE2-CE2 3.39Å; Y238-F247 HydrophobicContact CE2-CE2 3.39Å; Y238-F247 HydrophobicContact CE2-CZ 4.26Å; Y238-F247 AromaticContact CZ-CE2 3.42Å; Y238-F247 VanDerWaalsContact CZ-CE2 3.42Å; Y238-F247 WeakPolarHBondContact OH-CE2 3.47Å; Y238-F247 VanDerWaalsContact OH-CZ 3.22Å; Y238-F247 WeakPolarHBondContact OH-CZ 3.43Å; Y238-F281 HydrophobicContact CD2-CE2 4.4Å; Y238-F281 HydrophobicContact CD2-CZ 4.37Å; Y238-L289 HydrophobicContact CD1-CD2 4.45Å; Y238-L289 HydrophobicContact CG-CD2 4.01Å; Y238-I292 HydrophobicContact CD1-CD1 3.95Å; Y238-I292 HydrophobicContact CD2-CD1 3.78Å; Y238-I292 HydrophobicContact CD2-CG1 4.43Å; Y238-I292 HydrophobicContact CD2-CG2 3.78Å; Y238-I292 HydrophobicContact CE1-CD1 3.57Å; Y238-I292 HydrophobicContact CE2-CB 4.27Å; Y238-I292 HydrophobicContact CE2-CD1 3.35Å; Y238-I292 HydrophobicContact CE2-CG1 3.75Å; Y238-I292 HydrophobicContact CE2-CG2 3.54Å; Y238-I292 HydrophobicContact CG-CD1 4.02Å; Y238-I292 WeakPolarHBondContact OH-CD1 3.49Å
239K86.2Confident74.8Confident124 Ų12466.5 Ų66.554%0.53935%0.35SS..Hα-helixtrans-60.5-36.9177.6-74.8-178.5178.8-171.10112.8M235 R236 T243M235-K239 WeakPolarHBondContact O-CB 3Å; M235-K239 VanDerWaalsContact O-CG 3.32Å; M235-K239 WeakPolarHBondContact O-CG 3.29Å; M235-K239 PolarHBondContact O-N 2.98Å; R236-K239 PolarHBondContact O-N 3.49Å; K239-T243 WeakPolarHBondContact O-CB 3.4Å; K239-T243 PolarHBondContact O-N 3.47Å; K239-T243 PolarHBondContact O-OG1 2.88Å
240Y80.8Confident74.9Confident131 Ų13164.6 Ų64.651%0.51434%0.341SS..Hα-helixtrans-64.3-47.5173.2172.8-96000111.3N218 R236 V237 Y238 E242 T243 V244N218-Y240 WeakPolarHBondContact ND2-CD1 3.49Å; N218-Y240 WeakPolarHBondContact ND2-CE1 3.22Å; R236-Y240 WeakPolarHBondContact O-CB 3.4Å; R236-Y240 PolarHBondContact O-N 3.33Å; V237-Y240 WeakPolarHBondContact O-CB 3.3Å; V237-Y240 PolarHBondContact O-N 2.84Å; Y238-Y240 VanDerWaalsContact C-N 3.28Å; Y238-Y240 PolarHBondContact O-N 2.86Å; Y240-E242 VanDerWaalsContact C-N 3.31Å; Y240-E242 PolarHBondContact O-N 3.13Å; Y240-T243 WeakPolarHBondContact O-CB 3.32Å; Y240-T243 PolarHBondContact O-N 3.45Å; Y240-T243 VanDerWaalsContact O-N 3.12Å; Y240-V244 HydrophobicContact CD2-CG1 4.4Å; Y240-V244 HydrophobicContact CE1-CG1 4.15Å; Y240-V244 HydrophobicContact CE1-CG2 4.35Å; Y240-V244 HydrophobicContact CE2-CG1 3.88Å; Y240-V244 WeakPolarHBondContact O-CG2 3.48Å; Y240-V244 PolarHBondContact O-N 2.87Å
241M80.5Confident75.4Confident15 Ų1561.4 Ų61.47%0.07433%0.325CS..Hα-helixtrans-58.4-42.7176.7-72.71787000112A219 V237 Y238 V244 G245 S246 I277 F281A219-M241 HydrophobicContact CB-SD 4.15Å; V237-M241 HydrophobicContact CG1-SD 4.06Å; V237-M241 WeakPolarHBondContact O-CG 3.49Å; V237-M241 PolarHBondContact O-N 2.91Å; Y238-M241 WeakPolarHBondContact O-CB 3.26Å; Y238-M241 PolarHBondContact O-N 3.24Å; Y238-M241 VanDerWaalsContact O-N 3.1Å; M241-V244 WeakPolarHBondContact O-CG2 3.37Å; M241-V244 PolarHBondContact O-N 3.23Å; M241-G245 PolarHBondContact O-N 3.42Å; M241-S246 WeakPolarHBondContact O-CA 3.43Å; M241-S246 WeakPolarHBondContact O-CB 3.49Å; M241-S246 PolarHBondContact O-N 3.27Å; M241-I277 HydrophobicContact CE-CD1 3.62Å; M241-I277 HydrophobicContact CE-CG1 3.85Å; M241-I277 HydrophobicContact CE-CG2 4.01Å; M241-F281 HydrophobicContact SD-CZ 3.75Å
242E79Confident75.9Confident89 Ų8957.8 Ų57.842%0.41631%0.306SS..Hα-helixtrans-58.3-47.4172.9-176.9175.6-127.600111.6Y238 Y240 V244 G245 F247Y238-E242 PolarHBondContact O-N 3.45Å; Y240-E242 VanDerWaalsContact C-N 3.31Å; Y240-E242 PolarHBondContact O-N 3.13Å; E242-V244 VanDerWaalsContact C-N 3.33Å; E242-V244 PolarHBondContact O-N 3.07Å; E242-G245 PolarHBondContact O-N 3.05Å; E242-G245 VanDerWaalsContact O-N 3.13Å; E242-F247 HydrophobicContact CB-CD2 3.59Å; E242-F247 HydrophobicContact CB-CE2 4.04Å; E242-F247 HydrophobicContact CG-CD2 3.49Å; E242-F247 VanDerWaalsContact CG-CD2 3.49Å; E242-F247 HydrophobicContact CG-CE2 3.78Å; E242-F247 HydrophobicContact CG-CG 4.16Å; E242-F247 VanDerWaalsContact OE1-CE2 3.25Å; E242-F247 WeakPolarHBondContact OE1-CE2 3.37Å
243T74.8Confident76Confident120 Ų12054.5 Ų54.574%0.73629%0.286SS*.Hα-helixtrans-61.8-36.9-179.3-56.80000112.8K239 Y240 G245K239-T243 WeakPolarHBondContact O-CB 3.4Å; K239-T243 PolarHBondContact O-N 3.47Å; K239-T243 PolarHBondContact O-OG1 2.88Å; Y240-T243 WeakPolarHBondContact O-CB 3.32Å; Y240-T243 PolarHBondContact O-N 3.45Å; Y240-T243 VanDerWaalsContact O-N 3.12Å; T243-G245 VanDerWaalsContact C-N 3.27Å; T243-G245 PolarHBondContact O-N 3.19Å
244V68.7Low76Confident55 Ų5553 Ų5333%0.33328%0.277SS..THydrogen-bonded Turntrans-86.37179.9-57.30000113.6Y240 M241 E242Y240-V244 HydrophobicContact CD2-CG1 4.4Å; Y240-V244 HydrophobicContact CE1-CG1 4.15Å; Y240-V244 HydrophobicContact CE1-CG2 4.35Å; Y240-V244 HydrophobicContact CE2-CG1 3.88Å; Y240-V244 WeakPolarHBondContact O-CG2 3.48Å; Y240-V244 PolarHBondContact O-N 2.87Å; M241-V244 WeakPolarHBondContact O-CG2 3.37Å; M241-V244 PolarHBondContact O-N 3.23Å; E242-V244 VanDerWaalsContact C-N 3.33Å; E242-V244 PolarHBondContact O-N 3.07Å
245G67.3Low75.9Confident45 Ų4554.9 Ų54.946%0.46429%0.289SS..THydrogen-bonded Turntrans76.620.817800000114.1M241 E242 T243 F247M241-G245 PolarHBondContact O-N 3.42Å; E242-G245 PolarHBondContact O-N 3.05Å; E242-G245 VanDerWaalsContact O-N 3.13Å; T243-G245 VanDerWaalsContact C-N 3.27Å; T243-G245 PolarHBondContact O-N 3.19Å; G245-F247 PolarHBondContact O-N 3.07Å
246S68.3Low75.5Confident14 Ų1454.2 Ų54.210%0.09829%0.288CS..  trans-79.95.1174.3-167.50000112.4M241 S253 Y296M241-S246 WeakPolarHBondContact O-CA 3.43Å; M241-S246 WeakPolarHBondContact O-CB 3.49Å; M241-S246 PolarHBondContact O-N 3.27Å; S246-S253 PolarHBondContact OG-OG 3.36Å; S246-Y296 WeakPolarHBondContact O-CE1 3.36Å; S246-Y296 PolarHBondContact O-OH 2.89Å
247F68.4Low74.8Confident47 Ų4750.2 Ų50.221%0.20629%0.287CS..SBendtrans-75.8151.9-168.2-156.4-99.9000115.2Y238 E242 G245 S249 A250Y238-F247 HydrophobicContact CE2-CD2 4.07Å; Y238-F247 AromaticContact CE2-CE2 3.39Å; Y238-F247 HydrophobicContact CE2-CE2 3.39Å; Y238-F247 HydrophobicContact CE2-CZ 4.26Å; Y238-F247 AromaticContact CZ-CE2 3.42Å; Y238-F247 VanDerWaalsContact CZ-CE2 3.42Å; Y238-F247 WeakPolarHBondContact OH-CE2 3.47Å; Y238-F247 VanDerWaalsContact OH-CZ 3.22Å; Y238-F247 WeakPolarHBondContact OH-CZ 3.43Å; E242-F247 HydrophobicContact CB-CD2 3.59Å; E242-F247 HydrophobicContact CB-CE2 4.04Å; E242-F247 HydrophobicContact CG-CD2 3.49Å; E242-F247 VanDerWaalsContact CG-CD2 3.49Å; E242-F247 HydrophobicContact CG-CE2 3.78Å; E242-F247 HydrophobicContact CG-CG 4.16Å; E242-F247 VanDerWaalsContact OE1-CE2 3.25Å; E242-F247 WeakPolarHBondContact OE1-CE2 3.37Å; G245-F247 PolarHBondContact O-N 3.07Å; F247-S249 PolarHBondContact O-N 3.04Å; F247-A250 PolarHBondContact O-N 3.08Å; F247-A250 VanDerWaalsContact O-N 3.12Å
248P56.1Low74.1Confident11 Ų1154.7 Ų54.77%0.07131%0.31CS..THydrogen-bonded Turntrans-62.55.6176.918.6-32.3000118R295 N299P248-R295 HydrophobicContact CB-CB 4.41Å; P248-R295 HydrophobicContact CB-CG 3.44Å; P248-R295 VanDerWaalsContact CB-CG 3.44Å; P248-R295 HydrophobicContact CG-CB 4.48Å; P248-R295 HydrophobicContact CG-CG 3.82Å; P248-N299 VanDerWaalsContact CA-ND2 3.28Å; P248-N299 WeakPolarHBondContact CA-ND2 3.33Å; P248-N299 VanDerWaalsContact CB-ND2 3.3Å; P248-N299 WeakPolarHBondContact CB-ND2 3.44Å; P248-N299 PolarHBondContact O-ND2 3.5Å
249S56.2Low73.6Confident99 Ų9959.9 Ų59.969%0.69233%0.333SS*.THydrogen-bonded Turntrans-74.3-16.3166.355.10000112.2F247F247-S249 PolarHBondContact O-N 3.04Å
250A63Low73.1Confident25 Ų2557 Ų5721%0.20733%0.328CS..SBendtrans-86.6162.3167.100000111.5F247 S252 N299F247-A250 PolarHBondContact O-N 3.08Å; F247-A250 VanDerWaalsContact O-N 3.12Å; A250-S252 PolarHBondContact O-N 3.43Å; A250-S252 VanDerWaalsContact O-N 3.07Å; A250-N299 PolarHBondContact O-ND2 2.82Å; A250-N299 VanDerWaalsContact O-ND2 3.16Å
251K76.2Confident73Confident52 Ų5253.2 Ų53.223%0.22633%0.329CS..SBendtrans-52.2-34.1178-65.1-178.5173.2171.30112.6L303 S321 M322 S324K251-L303 HydrophobicContact CB-CD1 4.28Å; K251-L303 HydrophobicContact CD-CD1 4.31Å; K251-S321 WeakPolarHBondContact CE-O 3.37Å; K251-S321 PolarHBondContact NZ-O 3.3Å; K251-S321 VanDerWaalsContact NZ-O 3.09Å; K251-M322 HydrophobicContact CD-SD 4.38Å; K251-M322 HydrophobicContact CG-SD 3.56Å; K251-M322 VanDerWaalsContact CG-SD 3.56Å; K251-S324 PolarHBondContact NZ-O 3.28Å
252S80.5Confident73Confident1 Ų155.8 Ų55.81%0.00734%0.341CS..SBendtrans-166.2-178.9169.8-167.60000109.7A250 P254 T320A250-S252 PolarHBondContact O-N 3.43Å; A250-S252 VanDerWaalsContact O-N 3.07Å; S252-P254 WeakPolarHBondContact O-CD 3.3Å; S252-T320 WeakPolarHBondContact O-CG2 3.43Å
253S82.4Confident73.3Confident9 Ų952.8 Ų52.86%0.06333%0.327CS..  trans-74.8113.4177.1-166.50000111S246 A269S246-S253 PolarHBondContact OG-OG 3.36Å; S253-A269 VanDerWaalsContact O-CB 3.25Å; S253-A269 WeakPolarHBondContact O-CB 2.91Å
254P83Confident73.7Confident20 Ų2051.9 Ų51.913%0.1331%0.31CS..  trans-67.7155.3171.330.1-34.5000110.9S252 S256S252-P254 WeakPolarHBondContact O-CD 3.3Å; P254-S256 VanDerWaalsContact C-N 3.28Å; P254-S256 PolarHBondContact O-N 3.09Å
255T82.2Confident74.1Confident40 Ų4050.8 Ų50.825%0.24530%0.302CS..SBendtrans-58.6-41.1179.3-51.20000112.1W264 N268 W270 L273T255-W264 HydrophobicContact CG2-CB 4.43Å; T255-W264 HydrophobicContact CG2-CE3 4.14Å; T255-W264 WeakPolarHBondContact CG2-O 3.38Å; T255-N268 PolarHBondContact N-O 2.96Å; T255-N268 PolarHBondContact OG1-O 3.46Å; T255-W270 PolarHBondContact OG1-NE1 2.68Å; T255-L273 HydrophobicContact CG2-CD1 3.75Å
256S77.1Confident74.5Confident30 Ų3049.1 Ų49.121%0.2129%0.285CS..  trans-151168.9178.679.40000109.8P254 I258 D265 G266P254-S256 VanDerWaalsContact C-N 3.28Å; P254-S256 PolarHBondContact O-N 3.09Å; S256-I258 PolarHBondContact OG-N 3.08Å; S256-I258 VanDerWaalsContact OG-N 3.1Å; S256-I258 PolarHBondContact OG-O 3.39Å; S256-D265 WeakPolarHBondContact CB-OD1 3.27Å; S256-D265 WeakPolarHBondContact OG-CA 3.33Å; S256-D265 PolarHBondContact OG-OD1 3.48Å; S256-G266 WeakPolarHBondContact O-CA 3.46Å; S256-G266 PolarHBondContact O-N 3.29Å; S256-G266 PolarHBondContact OG-N 3.4Å
257S70.3Confident75.1Confident90 Ų9050.5 Ų50.563%0.62929%0.291SS*.SBendtrans-81.5-4168.855.90000113.1
258I69.9Low76Confident103 Ų10348.7 Ų48.753%0.52828%0.284SS..  trans-87.8136.4-177.7-59.8174.8000108.6S256 D265 G266S256-I258 PolarHBondContact OG-N 3.08Å; S256-I258 VanDerWaalsContact OG-N 3.1Å; S256-I258 PolarHBondContact OG-O 3.39Å; I258-D265 WeakPolarHBondContact O-CB 3.46Å; I258-G266 WeakPolarHBondContact O-CA 3.26Å; I258-G266 PolarHBondContact O-N 3.1Å
259K75.3Confident77.5Confident138 Ų13848.2 Ų48.260%0.628%0.28SS*.  trans-112.972.5174.6-57.6-167.6-173.2-155.30110.4G266 D267K259-G266 WeakPolarHBondContact CA-O 3.31Å; K259-D267 WeakPolarHBondContact CE-OD1 3.45Å; K259-D267 IonicContact NZ-OD1 2.88Å; K259-D267 PolarHBondContact NZ-OD1 3.26Å; K259-D267 IonicContact NZ-OD2 2.95Å; K259-D267 PolarHBondContact NZ-OD2 3.35Å
260S74.5Confident79.2Confident62 Ų6243.5 Ų43.543%0.43425%0.248SC..  trans-78-20.4-176.561.10000113.6E262 D265S260-E262 VanDerWaalsContact C-N 3.33Å; S260-E262 VanDerWaalsContact OG-CB 3.31Å; S260-E262 WeakPolarHBondContact OG-CB 3.41Å; S260-E262 PolarHBondContact OG-N 3.08Å; S260-D265 VanDerWaalsContact CB-OD2 3.3Å; S260-D265 WeakPolarHBondContact CB-OD2 3.26Å; S260-D265 WeakPolarHBondContact OG-CB 3.23Å; S260-D265 PolarHBondContact OG-OD2 3.34Å
261G79.8Confident80.7Confident52 Ų5242.3 Ų42.354%0.53624%0.238SC..SBendtrans92.8-8.9-166.300000113.3G331 G332G261-G331 WeakPolarHBondContact O-CA 3.49Å; G261-G332 PolarHBondContact O-N 3.47Å
262E80.5Confident81.5Confident69 Ų6939.9 Ų39.932%0.32223%0.227SC..SBendtrans-78.7161.2176.4-61.5-57.1155.700113S260 W264 N268S260-E262 VanDerWaalsContact C-N 3.33Å; S260-E262 VanDerWaalsContact OG-CB 3.31Å; S260-E262 WeakPolarHBondContact OG-CB 3.41Å; S260-E262 PolarHBondContact OG-N 3.08Å; E262-W264 VanDerWaalsContact C-N 3.35Å; E262-W264 PolarHBondContact O-N 3.08Å; E262-N268 PolarHBondContact O-ND2 3.29Å
263Q85.2Confident82Confident26 Ų2642.2 Ų42.212%0.12124%0.239CC..THydrogen-bonded Turntrans-68.1-34.8-174-44.8-143.51.700112.9D265 N268 W270 K317 G331 G332Q263-D265 VanDerWaalsContact C-N 3.31Å; Q263-D265 PolarHBondContact O-N 3.23Å; Q263-N268 WeakPolarHBondContact O-CB 3.24Å; Q263-N268 PolarHBondContact O-ND2 3.08Å; Q263-W270 HydrophobicContact CB-CH2 4.24Å; Q263-W270 HydrophobicContact CB-CZ2 3.78Å; Q263-W270 VanDerWaalsContact O-CZ2 3.29Å; Q263-W270 WeakPolarHBondContact O-CZ2 3.2Å; Q263-W270 PolarHBondContact O-NE1 3.37Å; Q263-W270 VanDerWaalsContact O-NE1 3.13Å; Q263-K317 VanDerWaalsContact CB-NZ 3.31Å; Q263-K317 VanDerWaalsContact CG-NZ 3.34Å; Q263-G331 WeakPolarHBondContact CG-O 3.01Å; Q263-G331 PolarHBondContact NE2-O 2.97Å; Q263-G331 VanDerWaalsContact NE2-O 3.08Å; Q263-G332 VanDerWaalsContact CG-CA 3.47Å
264W82.9Confident82.4Confident102 Ų10241.9 Ų41.939%0.38624%0.237SC..THydrogen-bonded Turntrans-96.735.5-174.3-70.299.9000112.8W96 T255 E262 W270 L273 W342W96-W264 AromaticContact CH2-CH2 3.19Å; W96-W264 HydrophobicContact CH2-CH2 3.19Å; W96-W264 AromaticContact CH2-CZ2 3.56Å; W96-W264 HydrophobicContact CH2-CZ2 3.56Å; W96-W264 AromaticContact CH2-CZ3 3.94Å; W96-W264 HydrophobicContact CH2-CZ3 3.94Å; W96-W264 AromaticContact CZ2-CH2 3.63Å; W96-W264 HydrophobicContact CZ2-CH2 3.63Å; W96-W264 AromaticContact CZ2-CZ2 3.56Å; W96-W264 HydrophobicContact CZ2-CZ2 3.56Å; W96-W264 HydrophobicContact CZ3-CH2 4.32Å; T255-W264 HydrophobicContact CG2-CB 4.43Å; T255-W264 HydrophobicContact CG2-CE3 4.14Å; T255-W264 WeakPolarHBondContact CG2-O 3.38Å; E262-W264 VanDerWaalsContact C-N 3.35Å; E262-W264 PolarHBondContact O-N 3.08Å; W264-W270 HydrophobicContact CD2-CD2 4.43Å; W264-W270 AromaticContact CD2-CE2 3.93Å; W264-W270 HydrophobicContact CD2-CH2 4.47Å; W264-W270 AromaticContact CD2-CZ2 3.98Å; W264-W270 HydrophobicContact CD2-CZ2 3.98Å; W264-W270 AromaticContact CE2-CH2 3.81Å; W264-W270 AromaticContact CE2-CZ2 3.78Å; W264-W270 AromaticContact CE3-CD1 3.89Å; W264-W270 HydrophobicContact CE3-CD2 4.08Å; W264-W270 AromaticContact CE3-CE2 3.87Å; W264-W270 HydrophobicContact CE3-CG 4.11Å; W264-W270 HydrophobicContact CE3-CZ2 4.39Å; W264-W270 AromaticContact CE3-NE1 3.76Å; W264-W270 HydrophobicContact CG-CZ2 4.38Å; W264-W270 HydrophobicContact CH2-CB 4.27Å; W264-W270 AromaticContact CH2-CD2 3.41Å; W264-W270 HydrophobicContact CH2-CD2 3.41Å; W264-W270 VanDerWaalsContact CH2-CD2 3.41Å; W264-W270 AromaticContact CH2-CE2 3.9Å; W264-W270 AromaticContact CH2-CE3 3.35Å; W264-W270 HydrophobicContact CH2-CE3 3.35Å; W264-W270 AromaticContact CH2-CG 3.81Å; W264-W270 HydrophobicContact CH2-CG 3.81Å; W264-W270 HydrophobicContact CH2-CH2 4.27Å; W264-W270 HydrophobicContact CH2-CZ2 4.33Å; W264-W270 AromaticContact CH2-CZ3 3.76Å; W264-W270 HydrophobicContact CH2-CZ3 3.76Å; W264-W270 AromaticContact CZ2-CD2 3.88Å; W264-W270 HydrophobicContact CZ2-CD2 3.88Å; W264-W270 AromaticContact CZ2-CE3 3.6Å; W264-W270 HydrophobicContact CZ2-CE3 3.6Å; W264-W270 AromaticContact CZ2-CH2 3.7Å; W264-W270 HydrophobicContact CZ2-CH2 3.7Å; W264-W270 AromaticContact CZ2-CZ2 3.97Å; W264-W270 HydrophobicContact CZ2-CZ2 3.97Å; W264-W270 AromaticContact CZ2-CZ3 3.45Å; W264-W270 HydrophobicContact CZ2-CZ3 3.45Å; W264-W270 VanDerWaalsContact CZ2-CZ3 3.45Å; W264-W270 HydrophobicContact CZ3-CB 4.01Å; W264-W270 AromaticContact CZ3-CD1 3.75Å; W264-W270 AromaticContact CZ3-CD2 3.57Å; W264-W270 HydrophobicContact CZ3-CD2 3.57Å; W264-W270 AromaticContact CZ3-CE2 3.87Å; W264-W270 HydrophobicContact CZ3-CE3 4.03Å; W264-W270 AromaticContact CZ3-CG 3.52Å; W264-W270 HydrophobicContact CZ3-CG 3.52Å; W264-W270 AromaticContact CZ3-NE1 3.96Å; W264-L273 HydrophobicContact CE3-CD1 4.43Å; W264-L273 HydrophobicContact CZ3-CD1 4.09Å; W264-L273 HydrophobicContact CZ3-CG 4.45Å; W264-W342 HydrophobicContact CH2-CH2 4.44Å; W264-W342 HydrophobicContact CZ2-CH2 4.32Å
265D78Confident82.9Confident32 Ų3241 Ų4117%0.17123%0.231CC..SBendtrans-137.9170.3179.2-89.5-39.3000110.7S256 I258 S260 Q263 N268S256-D265 WeakPolarHBondContact CB-OD1 3.27Å; S256-D265 WeakPolarHBondContact OG-CA 3.33Å; S256-D265 PolarHBondContact OG-OD1 3.48Å; I258-D265 WeakPolarHBondContact O-CB 3.46Å; S260-D265 VanDerWaalsContact CB-OD2 3.3Å; S260-D265 WeakPolarHBondContact CB-OD2 3.26Å; S260-D265 WeakPolarHBondContact OG-CB 3.23Å; S260-D265 PolarHBondContact OG-OD2 3.34Å; Q263-D265 VanDerWaalsContact C-N 3.31Å; Q263-D265 PolarHBondContact O-N 3.23Å; D265-N268 WeakPolarHBondContact O-CB 2.9Å; D265-N268 PolarHBondContact O-N 3.08Å
266G73.8Confident83.3Confident10 Ų1040.3 Ų40.310%0.10323%0.225CC..THydrogen-bonded Turntrans-60142.9174.900000112.6S256 I258 K259S256-G266 WeakPolarHBondContact O-CA 3.46Å; S256-G266 PolarHBondContact O-N 3.29Å; S256-G266 PolarHBondContact OG-N 3.4Å; I258-G266 WeakPolarHBondContact O-CA 3.26Å; I258-G266 PolarHBondContact O-N 3.1Å; K259-G266 WeakPolarHBondContact CA-O 3.31Å
267D81.8Confident83.9Confident42 Ų4239.6 Ų39.623%0.22522%0.219CC..THydrogen-bonded Turncis-9523.97.3-63.6-37.3000113.3K259 T320 S321K259-D267 WeakPolarHBondContact CE-OD1 3.45Å; K259-D267 IonicContact NZ-OD1 2.88Å; K259-D267 PolarHBondContact NZ-OD1 3.26Å; K259-D267 IonicContact NZ-OD2 2.95Å; K259-D267 PolarHBondContact NZ-OD2 3.35Å; D267-T320 PolarHBondContact O-N 2.95Å; D267-T320 PolarHBondContact O-OG1 2.85Å; D267-T320 VanDerWaalsContact O-OG1 3.11Å; D267-S321 WeakPolarHBondContact OD2-CB 3.44Å; D267-S321 PolarHBondContact OD2-OG 3.24Å
268N86.7Confident85Confident10 Ų1035.3 Ų35.35%0.05319%0.189CC..EExtended strand (participates in β ladder)trans-79.3139.4-178.4-63.4-41.2000111.7T255 E262 Q263 D265 Y318 G329 R330T255-N268 PolarHBondContact N-O 2.96Å; T255-N268 PolarHBondContact OG1-O 3.46Å; E262-N268 PolarHBondContact O-ND2 3.29Å; Q263-N268 WeakPolarHBondContact O-CB 3.24Å; Q263-N268 PolarHBondContact O-ND2 3.08Å; D265-N268 WeakPolarHBondContact O-CB 2.9Å; D265-N268 PolarHBondContact O-N 3.08Å; N268-Y318 CarbonylContact C-O 3.52Å; N268-Y318 WeakPolarHBondContact CA-O 3.31Å; N268-G329 WeakPolarHBondContact OD1-CA 3.2Å; N268-R330 PolarHBondContact ND2-O 3.32Å; N268-R330 PolarHBondContact OD1-N 3.42Å; N268-R330 PolarHBondContact OD1-O 2.96Å
269A88.5Confident86Confident0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-117.2147.6168.200000111.2S253 W300 K317 Y318 T320S253-A269 VanDerWaalsContact O-CB 3.25Å; S253-A269 WeakPolarHBondContact O-CB 2.91Å; A269-W300 HydrophobicContact CB-CZ3 4.17Å; A269-K317 WeakPolarHBondContact O-CA 3.44Å; A269-Y318 PolarHBondContact N-O 3.39Å; A269-Y318 PolarHBondContact O-N 3.08Å; A269-T320 HydrophobicContact CB-CG2 3.37Å
270W91.6Very high86.7Confident1 Ų126.4 Ų26.40%0.00415%0.147CC..  trans-128.5133.7-176-61.579.3000110.2T255 Q263 W264 P272 L273 T274 K316 K317 W342T255-W270 PolarHBondContact OG1-NE1 2.68Å; Q263-W270 HydrophobicContact CB-CH2 4.24Å; Q263-W270 HydrophobicContact CB-CZ2 3.78Å; Q263-W270 VanDerWaalsContact O-CZ2 3.29Å; Q263-W270 WeakPolarHBondContact O-CZ2 3.2Å; Q263-W270 PolarHBondContact O-NE1 3.37Å; Q263-W270 VanDerWaalsContact O-NE1 3.13Å; W264-W270 HydrophobicContact CD2-CD2 4.43Å; W264-W270 AromaticContact CD2-CE2 3.93Å; W264-W270 HydrophobicContact CD2-CH2 4.47Å; W264-W270 AromaticContact CD2-CZ2 3.98Å; W264-W270 HydrophobicContact CD2-CZ2 3.98Å; W264-W270 AromaticContact CE2-CH2 3.81Å; W264-W270 AromaticContact CE2-CZ2 3.78Å; W264-W270 AromaticContact CE3-CD1 3.89Å; W264-W270 HydrophobicContact CE3-CD2 4.08Å; W264-W270 AromaticContact CE3-CE2 3.87Å; W264-W270 HydrophobicContact CE3-CG 4.11Å; W264-W270 HydrophobicContact CE3-CZ2 4.39Å; W264-W270 AromaticContact CE3-NE1 3.76Å; W264-W270 HydrophobicContact CG-CZ2 4.38Å; W264-W270 HydrophobicContact CH2-CB 4.27Å; W264-W270 AromaticContact CH2-CD2 3.41Å; W264-W270 HydrophobicContact CH2-CD2 3.41Å; W264-W270 VanDerWaalsContact CH2-CD2 3.41Å; W264-W270 AromaticContact CH2-CE2 3.9Å; W264-W270 AromaticContact CH2-CE3 3.35Å; W264-W270 HydrophobicContact CH2-CE3 3.35Å; W264-W270 AromaticContact CH2-CG 3.81Å; W264-W270 HydrophobicContact CH2-CG 3.81Å; W264-W270 HydrophobicContact CH2-CH2 4.27Å; W264-W270 HydrophobicContact CH2-CZ2 4.33Å; W264-W270 AromaticContact CH2-CZ3 3.76Å; W264-W270 HydrophobicContact CH2-CZ3 3.76Å; W264-W270 AromaticContact CZ2-CD2 3.88Å; W264-W270 HydrophobicContact CZ2-CD2 3.88Å; W264-W270 AromaticContact CZ2-CE3 3.6Å; W264-W270 HydrophobicContact CZ2-CE3 3.6Å; W264-W270 AromaticContact CZ2-CH2 3.7Å; W264-W270 HydrophobicContact CZ2-CH2 3.7Å; W264-W270 AromaticContact CZ2-CZ2 3.97Å; W264-W270 HydrophobicContact CZ2-CZ2 3.97Å; W264-W270 AromaticContact CZ2-CZ3 3.45Å; W264-W270 HydrophobicContact CZ2-CZ3 3.45Å; W264-W270 VanDerWaalsContact CZ2-CZ3 3.45Å; W264-W270 HydrophobicContact CZ3-CB 4.01Å; W264-W270 AromaticContact CZ3-CD1 3.75Å; W264-W270 AromaticContact CZ3-CD2 3.57Å; W264-W270 HydrophobicContact CZ3-CD2 3.57Å; W264-W270 AromaticContact CZ3-CE2 3.87Å; W264-W270 HydrophobicContact CZ3-CE3 4.03Å; W264-W270 AromaticContact CZ3-CG 3.52Å; W264-W270 HydrophobicContact CZ3-CG 3.52Å; W264-W270 AromaticContact CZ3-NE1 3.96Å; W270-P272 VanDerWaalsContact C-CD 3.5Å; W270-L273 HydrophobicContact CB-CD1 4.31Å; W270-L273 HydrophobicContact CB-CG 4.3Å; W270-L273 PolarHBondContact O-N 3.41Å; W270-L273 VanDerWaalsContact O-N 3.09Å; W270-T274 PolarHBondContact O-N 3.47Å; W270-T274 PolarHBondContact O-OG1 3.12Å; W270-K316 HydrophobicContact CH2-CD 4.38Å; W270-K316 HydrophobicContact CH2-CG 4.38Å; W270-K316 HydrophobicContact CZ3-CD 4.15Å; W270-K316 VanDerWaalsContact CZ3-CE 3.43Å; W270-K316 HydrophobicContact CZ3-CG 3.83Å; W270-K317 HydrophobicContact CD2-CB 3.96Å; W270-K317 HydrophobicContact CE3-CB 4.21Å; W270-K317 HydrophobicContact CH2-CB 4.35Å; W270-K317 HydrophobicContact CH2-CD 3.84Å; W270-K317 HydrophobicContact CZ2-CB 4.08Å; W270-K317 HydrophobicContact CZ2-CD 3.49Å; W270-K317 VanDerWaalsContact CZ2-CD 3.49Å; W270-K317 HydrophobicContact CZ2-CG 4.36Å; W270-K317 HydrophobicContact CZ3-CB 4.43Å; W270-W342 AromaticContact CE3-CE2 3.99Å; W270-W342 AromaticContact CE3-CH2 3.65Å; W270-W342 HydrophobicContact CE3-CH2 3.65Å; W270-W342 AromaticContact CE3-CZ2 3.21Å; W270-W342 HydrophobicContact CE3-CZ2 3.21Å; W270-W342 AromaticContact CZ3-CH2 3.46Å; W270-W342 HydrophobicContact CZ3-CH2 3.46Å; W270-W342 VanDerWaalsContact CZ3-CH2 3.46Å; W270-W342 AromaticContact CZ3-CZ2 3.19Å; W270-W342 HydrophobicContact CZ3-CZ2 3.19Å
271A94Very high87.4Confident0 Ų023.5 Ų23.50%013%0.127CC..Hα-helixtrans-54.1-45.2-176.400000113L273 T274 H275 W300 V346A271-L273 VanDerWaalsContact C-N 3.34Å; A271-L273 PolarHBondContact O-N 3.29Å; A271-T274 PolarHBondContact O-N 2.92Å; A271-H275 PolarHBondContact O-N 3.05Å; A271-W300 VanDerWaalsContact CA-CZ2 3.48Å; A271-W300 HydrophobicContact CB-CH2 3.57Å; A271-W300 HydrophobicContact CB-CZ2 3.23Å; A271-V346 HydrophobicContact CB-CB 3.7Å; A271-V346 HydrophobicContact CB-CG1 3.9Å; A271-V346 HydrophobicContact CB-CG2 3.78Å
272P93.1Very high88Confident0 Ų023.1 Ų23.10%011%0.111CC..Hα-helixtrans-52.2-46.9175.2-3340.4000114.2W100 W270 H275 M276 W342W100-P272 HydrophobicContact CD2-CB 4.03Å; W100-P272 HydrophobicContact CD2-CG 4.11Å; W100-P272 VanDerWaalsContact CE2-CB 3.44Å; W100-P272 HydrophobicContact CG-CB 4.42Å; W100-P272 HydrophobicContact CG-CG 4Å; W100-P272 HydrophobicContact CH2-CB 4.45Å; W100-P272 HydrophobicContact CZ2-CB 3.71Å; W270-P272 VanDerWaalsContact C-CD 3.5Å; P272-H275 PolarHBondContact O-N 3.26Å; P272-M276 WeakPolarHBondContact O-CG 3.29Å; P272-M276 PolarHBondContact O-N 2.92Å; P272-W342 HydrophobicContact CG-CB 4.18Å; P272-W342 HydrophobicContact CG-CD2 3.81Å; P272-W342 HydrophobicContact CG-CE3 3.75Å; P272-W342 HydrophobicContact CG-CG 3.98Å; P272-W342 HydrophobicContact CG-CZ3 4.49Å
273L90.7Very high88.3Confident51 Ų5121 Ų2127%0.26710%0.104SC..Hα-helixtrans-68.2-41.8-176-61.2-178.9000111.1T255 W264 W270 A271 H275 M276 I277T255-L273 HydrophobicContact CG2-CD1 3.75Å; W264-L273 HydrophobicContact CE3-CD1 4.43Å; W264-L273 HydrophobicContact CZ3-CD1 4.09Å; W264-L273 HydrophobicContact CZ3-CG 4.45Å; W270-L273 HydrophobicContact CB-CD1 4.31Å; W270-L273 HydrophobicContact CB-CG 4.3Å; W270-L273 PolarHBondContact O-N 3.41Å; W270-L273 VanDerWaalsContact O-N 3.09Å; A271-L273 VanDerWaalsContact C-N 3.34Å; A271-L273 PolarHBondContact O-N 3.29Å; L273-H275 VanDerWaalsContact C-N 3.32Å; L273-H275 PolarHBondContact O-N 3.47Å; L273-M276 PolarHBondContact O-N 2.86Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 2.01Å
274T91.8Very high88.4Confident1 Ų120.3 Ų20.31%0.00610%0.102CC..Hα-helixtrans-62.3-42.2174.6-50.50000111.3W270 A271 M276 I277 V278 W300 F350W270-T274 PolarHBondContact O-N 3.47Å; W270-T274 PolarHBondContact O-OG1 3.12Å; A271-T274 PolarHBondContact O-N 2.92Å; T274-M276 PolarHBondContact O-N 3.37Å; T274-I277 PolarHBondContact O-N 3.29Å; T274-V278 WeakPolarHBondContact O-CG2 3.27Å; T274-V278 PolarHBondContact O-N 3.39Å; T274-W300 HydrophobicContact CG2-CB 4.04Å; T274-W300 HydrophobicContact CG2-CD2 4.39Å; T274-W300 HydrophobicContact CG2-CE3 4.17Å; T274-W300 HydrophobicContact CG2-CG 4.34Å; T274-F350 HydrophobicContact CG2-CE2 3.93Å; T274-F350 HydrophobicContact CG2-CZ 4.38Å
275H93.7Very high88.5Confident2 Ų218 Ų181%0.00911%0.11CC..Hα-helixtrans-61.7-42.9176.7-159.3-65.7000112.8W100 K103 A271 P272 L273 I277 V278 E279 V346 F350W100-H275 HydrophobicContact CE3-CB 4.19Å; W100-H275 HydrophobicContact CH2-CB 4.39Å; W100-H275 HydrophobicContact CZ3-CB 3.65Å; W100-H275 AromaticContact CZ3-CG 3.68Å; W100-H275 AromaticContact CZ3-ND1 3.77Å; K103-H275 PolarHBondContact NZ-CE1 3.29Å; A271-H275 PolarHBondContact O-N 3.05Å; P272-H275 PolarHBondContact O-N 3.26Å; L273-H275 VanDerWaalsContact C-N 3.32Å; L273-H275 PolarHBondContact O-N 3.47Å; H275-I277 PolarHBondContact O-N 2.91Å; H275-V278 PolarHBondContact O-N 2.6Å; H275-E279 IonicContact CE1-OE1 2.86Å; H275-E279 PolarHBondContact CE1-OE1 3.41Å; H275-E279 VanDerWaalsContact CE1-OE1 3.29Å; H275-E279 IonicContact CE1-OE2 3.46Å; H275-E279 PolarHBondContact CE1-OE2 3.07Å; H275-E279 IonicContact ND1-OE1 3.75Å; H275-E279 IonicContact ND1-OE2 2.7Å; H275-E279 PolarHBondContact ND1-OE2 2.87Å; H275-E279 PolarHBondContact O-N 3.27Å; H275-V346 HydrophobicContact CB-CG1 4.13Å; H275-V346 HydrophobicContact CB-CG2 3.95Å; H275-F350 HydrophobicContact CB-CZ 4.24Å; H275-F350 AromaticContact CD2-CE1 3.65Å
276M91.1Very high89.1Confident25 Ų2517.5 Ų17.512%0.12311%0.107CC..Hα-helixtrans-62.3-40.8175.5-69.3-174.6-168.900112.2W100 V220 Y223 P272 L273 T274 G280W100-M276 HydrophobicContact CH2-CE 3.87Å; W100-M276 HydrophobicContact CH2-CG 3.76Å; W100-M276 HydrophobicContact CZ2-CE 3.46Å; W100-M276 VanDerWaalsContact CZ2-CE 3.46Å; W100-M276 HydrophobicContact CZ2-CG 4.3Å; V220-M276 HydrophobicContact CG1-SD 4.01Å; V220-M276 HydrophobicContact CG2-SD 3.87Å; Y223-M276 HydrophobicContact CD1-CB 4.25Å; Y223-M276 HydrophobicContact CD1-CG 3.75Å; Y223-M276 HydrophobicContact CD1-SD 4.19Å; Y223-M276 HydrophobicContact CE1-CG 3.99Å; Y223-M276 HydrophobicContact CG-CB 4.1Å; Y223-M276 HydrophobicContact CG-CG 4.07Å; P272-M276 WeakPolarHBondContact O-CG 3.29Å; P272-M276 PolarHBondContact O-N 2.92Å; L273-M276 PolarHBondContact O-N 2.86Å; T274-M276 PolarHBondContact O-N 3.37Å; M276-G280 WeakPolarHBondContact O-CA 3.4Å; M276-G280 PolarHBondContact O-N 3.37Å
277I89.3Confident90Very high15 Ų1524.5 Ų24.58%0.07714%0.137CC..Hα-helixtrans-61-50.3176.1-68.4162000110.4A219 M241 L273 T274 H275 G280 F281 Y296A219-I277 HydrophobicContact CB-CG1 4.09Å; M241-I277 HydrophobicContact CE-CD1 3.62Å; M241-I277 HydrophobicContact CE-CG1 3.85Å; M241-I277 HydrophobicContact CE-CG2 4.01Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 2.01Å; T274-I277 PolarHBondContact O-N 3.29Å; H275-I277 PolarHBondContact O-N 2.91Å; I277-G280 PolarHBondContact O-N 3.24Å; I277-F281 HydrophobicContact CG2-CD2 3.92Å; I277-F281 HydrophobicContact CG2-CE2 3.64Å; I277-F281 HydrophobicContact CG2-CZ 4.28Å; I277-F281 PolarHBondContact O-N 3.43Å; I277-Y296 HydrophobicContact CG2-CD1 4.32Å; I277-Y296 HydrophobicContact CG2-CD2 3.88Å; I277-Y296 HydrophobicContact CG2-CE1 4.42Å; I277-Y296 HydrophobicContact CG2-CE2 4.01Å; I277-Y296 HydrophobicContact CG2-CG 4.05Å
278V92.5Very high90.5Very high1 Ų126.7 Ų26.71%0.00615%0.148CC..Hα-helixtrans-60.6-53.6-177.7171.80000111T274 H275 G280 F281 Q282 A293 A297 F350 Y354T274-V278 WeakPolarHBondContact O-CG2 3.27Å; T274-V278 PolarHBondContact O-N 3.39Å; H275-V278 PolarHBondContact O-N 2.6Å; V278-G280 VanDerWaalsContact C-N 3.33Å; V278-G280 PolarHBondContact O-N 3.36Å; V278-F281 PolarHBondContact O-N 2.69Å; V278-Q282 WeakPolarHBondContact O-CB 3.15Å; V278-Q282 VanDerWaalsContact O-CG 3.25Å; V278-Q282 WeakPolarHBondContact O-CG 3.11Å; V278-Q282 PolarHBondContact O-N 3.15Å; V278-A293 HydrophobicContact CG1-CB 4.24Å; V278-A293 WeakPolarHBondContact CG2-O 3.41Å; V278-A297 HydrophobicContact CG1-CB 4.38Å; V278-A297 HydrophobicContact CG2-CB 4.12Å; V278-F350 HydrophobicContact CB-CE1 4.07Å; V278-F350 HydrophobicContact CB-CZ 3.83Å; V278-F350 HydrophobicContact CG1-CE1 3.93Å; V278-F350 HydrophobicContact CG1-CZ 4.14Å; V278-F350 HydrophobicContact CG2-CE1 4.24Å; V278-F350 HydrophobicContact CG2-CE2 4.22Å; V278-F350 HydrophobicContact CG2-CZ 3.59Å; V278-Y354 HydrophobicContact CG1-CE2 4.14Å; V278-Y354 WeakPolarHBondContact CG1-OH 3.09Å
279E92.1Very high90.8Very high54 Ų5426.2 Ų26.225%0.25215%0.146SC..Hα-helixtrans-69.1-32.2179.6-79.2-175.4144.700113K103 Y223 H275 Q282 S283K103-E279 IonicContact NZ-OE1 3.31Å; K103-E279 PolarHBondContact NZ-OE1 2.76Å; K103-E279 IonicContact NZ-OE2 3.39Å; K103-E279 PolarHBondContact NZ-OE2 2.94Å; Y223-E279 HydrophobicContact CD2-CB 3.78Å; Y223-E279 HydrophobicContact CE2-CB 4.09Å; Y223-E279 WeakPolarHBondContact CE2-OE2 3.26Å; H275-E279 IonicContact CE1-OE1 2.86Å; H275-E279 PolarHBondContact CE1-OE1 3.41Å; H275-E279 VanDerWaalsContact CE1-OE1 3.29Å; H275-E279 IonicContact CE1-OE2 3.46Å; H275-E279 PolarHBondContact CE1-OE2 3.07Å; H275-E279 IonicContact ND1-OE1 3.75Å; H275-E279 IonicContact ND1-OE2 2.7Å; H275-E279 PolarHBondContact ND1-OE2 2.87Å; H275-E279 PolarHBondContact O-N 3.27Å; E279-Q282 PolarHBondContact O-N 2.93Å; E279-S283 WeakPolarHBondContact O-CB 2.93Å; E279-S283 PolarHBondContact O-N 3.39Å
280G88.8Confident91Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-59.5-51.5174.700000111.5M276 I277 V278 S283M276-G280 WeakPolarHBondContact O-CA 3.4Å; M276-G280 PolarHBondContact O-N 3.37Å; I277-G280 PolarHBondContact O-N 3.24Å; V278-G280 VanDerWaalsContact C-N 3.33Å; V278-G280 PolarHBondContact O-N 3.36Å; G280-S283 PolarHBondContact O-N 3.2Å; G280-S283 PolarHBondContact O-OG 3.28Å
281F90.4Very high91.1Very high0 Ų035.9 Ų35.90%019%0.193CC..Hα-helixtrans-64.7-40.6175.9-71.5-18000113.1L222 V237 Y238 M241 I277 V278 S283 T284 L289 I292 A293 Y296L222-F281 HydrophobicContact CD1-CD1 3.79Å; L222-F281 HydrophobicContact CD1-CE1 3.81Å; V237-F281 HydrophobicContact CG1-CE1 3.98Å; V237-F281 HydrophobicContact CG1-CZ 4.46Å; Y238-F281 HydrophobicContact CD2-CE2 4.4Å; Y238-F281 HydrophobicContact CD2-CZ 4.37Å; M241-F281 HydrophobicContact SD-CZ 3.75Å; I277-F281 HydrophobicContact CG2-CD2 3.92Å; I277-F281 HydrophobicContact CG2-CE2 3.64Å; I277-F281 HydrophobicContact CG2-CZ 4.28Å; I277-F281 PolarHBondContact O-N 3.43Å; V278-F281 PolarHBondContact O-N 2.69Å; F281-S283 VanDerWaalsContact C-N 3.27Å; F281-S283 PolarHBondContact O-N 3.48Å; F281-T284 WeakPolarHBondContact O-CB 3.37Å; F281-T284 WeakPolarHBondContact O-CG2 3.4Å; F281-T284 PolarHBondContact O-N 3.17Å; F281-T284 PolarHBondContact O-OG1 2.83Å; F281-L289 HydrophobicContact CB-CB 4.1Å; F281-L289 HydrophobicContact CD1-CD2 4.23Å; F281-L289 HydrophobicContact CE1-CD2 4.39Å; F281-L289 HydrophobicContact CG-CB 4.41Å; F281-L289 HydrophobicContact CG-CD2 4.43Å; F281-I292 HydrophobicContact CD2-CG2 3.93Å; F281-I292 HydrophobicContact CE2-CG2 3.84Å; F281-A293 HydrophobicContact CB-CB 3.89Å; F281-Y296 HydrophobicContact CD2-CD2 4.46Å; F281-Y296 HydrophobicContact CD2-CE2 4.46Å; F281-Y296 HydrophobicContact CE2-CD2 4.24Å; F281-Y296 AromaticContact CE2-CE2 3.81Å; F281-Y296 HydrophobicContact CE2-CE2 3.81Å
282Q91.2Very high91Very high45 Ų4536.8 Ų36.821%0.2120%0.197CC..Hα-helixtrans-62.8-34175.5-72.8-175.4-48.400113.5V278 E279 T284 G285 A293 Y354V278-Q282 WeakPolarHBondContact O-CB 3.15Å; V278-Q282 VanDerWaalsContact O-CG 3.25Å; V278-Q282 WeakPolarHBondContact O-CG 3.11Å; V278-Q282 PolarHBondContact O-N 3.15Å; E279-Q282 PolarHBondContact O-N 2.93Å; Q282-T284 PolarHBondContact O-N 2.85Å; Q282-T284 VanDerWaalsContact O-N 3.14Å; Q282-G285 PolarHBondContact O-N 2.86Å; Q282-A293 HydrophobicContact CG-CB 3.86Å; Q282-Y354 PolarHBondContact NE2-OH 3.44Å; Q282-Y354 PolarHBondContact OE1-OH 2.97Å
283S86.8Confident91Very high23 Ų2336.8 Ų36.816%0.16120%0.197CC..THydrogen-bonded Turntrans-67.4-12.8-179.376.10000114.1L222 E279 G280 F281L222-S283 PolarHBondContact O-OG 2.92Å; L222-S283 VanDerWaalsContact O-OG 3.08Å; E279-S283 WeakPolarHBondContact O-CB 2.93Å; E279-S283 PolarHBondContact O-N 3.39Å; G280-S283 PolarHBondContact O-N 3.2Å; G280-S283 PolarHBondContact O-OG 3.28Å; F281-S283 VanDerWaalsContact C-N 3.27Å; F281-S283 PolarHBondContact O-N 3.48Å
284T87.1Confident91.2Very high13 Ų1337.8 Ų37.88%0.0820%0.201CC..THydrogen-bonded Turntrans-77.9-23.6-179.469.70000113.1L222 A234 F281 Q282 N286 L289L222-T284 HydrophobicContact CD2-CG2 4.21Å; A234-T284 HydrophobicContact CB-CG2 3.55Å; F281-T284 WeakPolarHBondContact O-CB 3.37Å; F281-T284 WeakPolarHBondContact O-CG2 3.4Å; F281-T284 PolarHBondContact O-N 3.17Å; F281-T284 PolarHBondContact O-OG1 2.83Å; Q282-T284 PolarHBondContact O-N 2.85Å; Q282-T284 VanDerWaalsContact O-N 3.14Å; T284-N286 PolarHBondContact O-N 2.93Å; T284-N286 WeakPolarHBondContact OG1-CB 3.3Å; T284-N286 PolarHBondContact OG1-N 3.29Å; T284-L289 HydrophobicContact CG2-CD1 4.03Å
285G86.5Confident91.3Very high54 Ų5442.1 Ų42.156%0.55722%0.217SC*.THydrogen-bonded Turntrans66.610.7-171.200000114.3Q282Q282-G285 PolarHBondContact O-N 2.86Å
286N90.5Very high91.2Very high20 Ų2042 Ų4211%0.10722%0.216CC..  trans-83.8122176.4-179.7-73000110.1T284 D288 L289 E290T284-N286 PolarHBondContact O-N 2.93Å; T284-N286 WeakPolarHBondContact OG1-CB 3.3Å; T284-N286 PolarHBondContact OG1-N 3.29Å; N286-D288 VanDerWaalsContact C-N 3.34Å; N286-D288 PolarHBondContact O-N 3.17Å; N286-D288 WeakPolarHBondContact OD1-CA 3.33Å; N286-D288 WeakPolarHBondContact OD1-CB 3.09Å; N286-D288 PolarHBondContact OD1-N 3.39Å; N286-L289 HydrophobicContact CB-CB 4.05Å; N286-L289 HydrophobicContact CB-CD1 3.97Å; N286-L289 HydrophobicContact CB-CG 4.09Å; N286-L289 PolarHBondContact O-N 3Å; N286-L289 PolarHBondContact OD1-N 3.23Å; N286-E290 WeakPolarHBondContact O-CG 3.27Å; N286-E290 PolarHBondContact O-N 3.36Å
287Q92.9Very high91.4Very high157 Ų15740.8 Ų40.873%0.73421%0.21SC*.Hα-helixtrans-60.2-38.5-176.3-68.7-179.4-15.700113.5E290 M291Q287-E290 PolarHBondContact O-N 2.95Å; Q287-M291 WeakPolarHBondContact O-CG 3.4Å; Q287-M291 PolarHBondContact O-N 3.12Å
288D92.4Very high91.6Very high88 Ų8840.3 Ų40.347%0.47121%0.208SC..Hα-helixtrans-64.3-46.6177-61.6-34.7000110.6N286 E290 M291 I292N286-D288 VanDerWaalsContact C-N 3.34Å; N286-D288 PolarHBondContact O-N 3.17Å; N286-D288 WeakPolarHBondContact OD1-CA 3.33Å; N286-D288 WeakPolarHBondContact OD1-CB 3.09Å; N286-D288 PolarHBondContact OD1-N 3.39Å; D288-E290 VanDerWaalsContact C-N 3.33Å; D288-E290 PolarHBondContact O-N 3.48Å; D288-M291 HydrophobicContact CB-CE 4.49Å; D288-M291 PolarHBondContact O-N 3.26Å; D288-I292 VanDerWaalsContact O-CD1 3.27Å; D288-I292 WeakPolarHBondContact O-CD1 3.29Å; D288-I292 VanDerWaalsContact O-CG1 3.26Å; D288-I292 WeakPolarHBondContact O-CG1 3.44Å; D288-I292 PolarHBondContact O-N 3.45Å
289L91.7Very high91.6Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-67-32.7178.2-65.7179.3000112.7A234 M235 Y238 F281 T284 N286 I292 A293A234-L289 HydrophobicContact CB-CD1 3.35Å; M235-L289 HydrophobicContact CG-CD1 4.46Å; M235-L289 HydrophobicContact SD-CD1 4.16Å; M235-L289 HydrophobicContact SD-CD2 3.52Å; M235-L289 VanDerWaalsContact SD-CD2 3.52Å; M235-L289 HydrophobicContact SD-CG 3.66Å; Y238-L289 HydrophobicContact CD1-CD2 4.45Å; Y238-L289 HydrophobicContact CG-CD2 4.01Å; F281-L289 HydrophobicContact CB-CB 4.1Å; F281-L289 HydrophobicContact CD1-CD2 4.23Å; F281-L289 HydrophobicContact CE1-CD2 4.39Å; F281-L289 HydrophobicContact CG-CB 4.41Å; F281-L289 HydrophobicContact CG-CD2 4.43Å; T284-L289 HydrophobicContact CG2-CD1 4.03Å; N286-L289 HydrophobicContact CB-CB 4.05Å; N286-L289 HydrophobicContact CB-CD1 3.97Å; N286-L289 HydrophobicContact CB-CG 4.09Å; N286-L289 PolarHBondContact O-N 3Å; N286-L289 PolarHBondContact OD1-N 3.23Å; L289-I292 HydrophobicContact CD2-CD1 4Å; L289-I292 PolarHBondContact O-N 3.27Å; L289-A293 WeakPolarHBondContact O-CB 3.48Å; L289-A293 PolarHBondContact O-N 2.99Å
290E92.9Very high91.7Very high83 Ų8338 Ų3839%0.38820%0.198SC..Hα-helixtrans-64.7-43.2172.7-76.7-178.6-166.300112N286 Q287 D288 I292 A293 E294N286-E290 WeakPolarHBondContact O-CG 3.27Å; N286-E290 PolarHBondContact O-N 3.36Å; Q287-E290 PolarHBondContact O-N 2.95Å; D288-E290 VanDerWaalsContact C-N 3.33Å; D288-E290 PolarHBondContact O-N 3.48Å; E290-I292 VanDerWaalsContact C-N 3.32Å; E290-I292 PolarHBondContact O-N 3.13Å; E290-A293 WeakPolarHBondContact O-CB 3.26Å; E290-A293 PolarHBondContact O-N 3.24Å; E290-E294 PolarHBondContact O-N 3.21Å
291M93.4Very high92Very high121 Ų12138 Ų3860%0.59620%0.198SC*.Hα-helixtrans-62.6-40.9173.5-69-173.7-64.200111.7Q287 D288 A293 E294 R295Q287-M291 WeakPolarHBondContact O-CG 3.4Å; Q287-M291 PolarHBondContact O-N 3.12Å; D288-M291 HydrophobicContact CB-CE 4.49Å; D288-M291 PolarHBondContact O-N 3.26Å; M291-A293 VanDerWaalsContact C-N 3.34Å; M291-E294 PolarHBondContact O-N 3.16Å; M291-R295 PolarHBondContact O-N 3.18Å
292I92Very high92.1Very high19 Ų1939.4 Ų39.410%0.09721%0.205CC..Hα-helixtrans-63.2-42175.1-69.6155000110.6Y238 F281 D288 L289 E290 R295 Y296Y238-I292 HydrophobicContact CD1-CD1 3.95Å; Y238-I292 HydrophobicContact CD2-CD1 3.78Å; Y238-I292 HydrophobicContact CD2-CG1 4.43Å; Y238-I292 HydrophobicContact CD2-CG2 3.78Å; Y238-I292 HydrophobicContact CE1-CD1 3.57Å; Y238-I292 HydrophobicContact CE2-CB 4.27Å; Y238-I292 HydrophobicContact CE2-CD1 3.35Å; Y238-I292 HydrophobicContact CE2-CG1 3.75Å; Y238-I292 HydrophobicContact CE2-CG2 3.54Å; Y238-I292 HydrophobicContact CG-CD1 4.02Å; Y238-I292 WeakPolarHBondContact OH-CD1 3.49Å; F281-I292 HydrophobicContact CD2-CG2 3.93Å; F281-I292 HydrophobicContact CE2-CG2 3.84Å; D288-I292 VanDerWaalsContact O-CD1 3.27Å; D288-I292 WeakPolarHBondContact O-CD1 3.29Å; D288-I292 VanDerWaalsContact O-CG1 3.26Å; D288-I292 WeakPolarHBondContact O-CG1 3.44Å; D288-I292 PolarHBondContact O-N 3.45Å; L289-I292 HydrophobicContact CD2-CD1 4Å; L289-I292 PolarHBondContact O-N 3.27Å; E290-I292 VanDerWaalsContact C-N 3.32Å; E290-I292 PolarHBondContact O-N 3.13Å; I292-R295 WeakPolarHBondContact O-CB 3.4Å; I292-R295 PolarHBondContact O-N 2.57Å; I292-R295 VanDerWaalsContact O-N 3.15Å; I292-Y296 HydrophobicContact CG2-CD2 3.82Å; I292-Y296 HydrophobicContact CG2-CE2 3.58Å; I292-Y296 VanDerWaalsContact O-CD2 3.28Å; I292-Y296 WeakPolarHBondContact O-CD2 3.39Å; I292-Y296 PolarHBondContact O-N 2.85Å
293A93.2Very high92.1Very high0 Ų037.7 Ų37.70%020%0.197CC..Hα-helixtrans-61.8-43.9176.700000111.9V278 F281 Q282 L289 E290 M291 R295 Y296 A297V278-A293 HydrophobicContact CG1-CB 4.24Å; V278-A293 WeakPolarHBondContact CG2-O 3.41Å; F281-A293 HydrophobicContact CB-CB 3.89Å; Q282-A293 HydrophobicContact CG-CB 3.86Å; L289-A293 WeakPolarHBondContact O-CB 3.48Å; L289-A293 PolarHBondContact O-N 2.99Å; E290-A293 WeakPolarHBondContact O-CB 3.26Å; E290-A293 PolarHBondContact O-N 3.24Å; M291-A293 VanDerWaalsContact C-N 3.34Å; A293-R295 VanDerWaalsContact C-N 3.27Å; A293-R295 PolarHBondContact O-N 3.36Å; A293-Y296 PolarHBondContact O-N 3.46Å; A293-A297 PolarHBondContact O-N 3.4Å
294E94.9Very high92.4Very high73 Ų7336.6 Ų36.634%0.34119%0.189SC..Hα-helixtrans-56.2-44.5172178.1172.2119.600110.5E290 M291 Y296 A297 V298 Y354 A357 R360E290-E294 PolarHBondContact O-N 3.21Å; M291-E294 PolarHBondContact O-N 3.16Å; E294-Y296 PolarHBondContact O-N 2.96Å; E294-A297 PolarHBondContact O-N 2.77Å; E294-V298 HydrophobicContact CG-CG2 4.24Å; E294-V298 WeakPolarHBondContact O-CB 3.41Å; E294-V298 WeakPolarHBondContact O-CG2 3.41Å; E294-V298 PolarHBondContact O-N 3.14Å; E294-Y354 HydrophobicContact CB-CD1 4.29Å; E294-Y354 HydrophobicContact CB-CE1 4.15Å; E294-Y354 HydrophobicContact CG-CD1 3.96Å; E294-Y354 HydrophobicContact CG-CE1 4.33Å; E294-A357 VanDerWaalsContact CD-CB 3.45Å; E294-A357 HydrophobicContact CG-CB 3.83Å; E294-A357 VanDerWaalsContact OE1-CB 3.23Å; E294-A357 WeakPolarHBondContact OE1-CB 3.35Å; E294-R360 IonicContact OE1-NH2 2.81Å; E294-R360 PolarHBondContact OE1-NH2 3.03Å
295R93.4Very high92.7Very high91 Ų9137.2 Ų37.234%0.34319%0.191SC..Hα-helixtrans-62.9-41.4178.6-172.263.7179.1-177.75.8113P248 M291 I292 A293 A297 V298 N299 E361P248-R295 HydrophobicContact CB-CB 4.41Å; P248-R295 HydrophobicContact CB-CG 3.44Å; P248-R295 VanDerWaalsContact CB-CG 3.44Å; P248-R295 HydrophobicContact CG-CB 4.48Å; P248-R295 HydrophobicContact CG-CG 3.82Å; M291-R295 PolarHBondContact O-N 3.18Å; I292-R295 WeakPolarHBondContact O-CB 3.4Å; I292-R295 PolarHBondContact O-N 2.57Å; I292-R295 VanDerWaalsContact O-N 3.15Å; A293-R295 VanDerWaalsContact C-N 3.27Å; A293-R295 PolarHBondContact O-N 3.36Å; R295-A297 VanDerWaalsContact C-N 3.35Å; R295-V298 PolarHBondContact O-N 3.4Å; R295-N299 PolarHBondContact NE-OD1 3.11Å; R295-N299 WeakPolarHBondContact O-CB 3.33Å; R295-N299 PolarHBondContact O-N 2.92Å; R295-N299 PolarHBondContact O-OD1 2.87Å; R295-E361 IonicContact CZ-OE2 2.65Å; R295-E361 IonicContact NH1-OE1 2.83Å; R295-E361 PolarHBondContact NH1-OE1 2.99Å; R295-E361 IonicContact NH1-OE2 3.29Å; R295-E361 PolarHBondContact NH1-OE2 3.17Å
296Y92.7Very high92.9Very high0 Ų039.5 Ų39.50%019%0.187CC..Hα-helixtrans-61.3-42.8174.2-85-76.4000112.1S246 I277 F281 I292 A293 E294 N299 W300S246-Y296 WeakPolarHBondContact O-CE1 3.36Å; S246-Y296 PolarHBondContact O-OH 2.89Å; I277-Y296 HydrophobicContact CG2-CD1 4.32Å; I277-Y296 HydrophobicContact CG2-CD2 3.88Å; I277-Y296 HydrophobicContact CG2-CE1 4.42Å; I277-Y296 HydrophobicContact CG2-CE2 4.01Å; I277-Y296 HydrophobicContact CG2-CG 4.05Å; F281-Y296 HydrophobicContact CD2-CD2 4.46Å; F281-Y296 HydrophobicContact CD2-CE2 4.46Å; F281-Y296 HydrophobicContact CE2-CD2 4.24Å; F281-Y296 AromaticContact CE2-CE2 3.81Å; F281-Y296 HydrophobicContact CE2-CE2 3.81Å; I292-Y296 HydrophobicContact CG2-CD2 3.82Å; I292-Y296 HydrophobicContact CG2-CE2 3.58Å; I292-Y296 VanDerWaalsContact O-CD2 3.28Å; I292-Y296 WeakPolarHBondContact O-CD2 3.39Å; I292-Y296 PolarHBondContact O-N 2.85Å; A293-Y296 PolarHBondContact O-N 3.46Å; E294-Y296 PolarHBondContact O-N 2.96Å; Y296-N299 PolarHBondContact O-N 3.28Å; Y296-W300 PolarHBondContact O-N 3.36Å
297A95Very high92.9Very high0 Ų038.6 Ų38.60%018%0.182CC..Hα-helixtrans-65.8-44.6178.700000111.9V278 A293 E294 R295 W300 L301 F350 Y354V278-A297 HydrophobicContact CG1-CB 4.38Å; V278-A297 HydrophobicContact CG2-CB 4.12Å; A293-A297 PolarHBondContact O-N 3.4Å; E294-A297 PolarHBondContact O-N 2.77Å; R295-A297 VanDerWaalsContact C-N 3.35Å; A297-W300 WeakPolarHBondContact O-CB 3.45Å; A297-W300 PolarHBondContact O-N 3.03Å; A297-L301 WeakPolarHBondContact O-CG 3.45Å; A297-L301 PolarHBondContact O-N 3.49Å; A297-F350 HydrophobicContact CB-CB 4.49Å; A297-F350 HydrophobicContact CB-CD1 4.31Å; A297-F350 HydrophobicContact CB-CD2 3.84Å; A297-F350 HydrophobicContact CB-CE1 4.45Å; A297-F350 HydrophobicContact CB-CE2 4.02Å; A297-F350 HydrophobicContact CB-CG 3.98Å; A297-F350 HydrophobicContact CB-CZ 4.3Å; A297-Y354 HydrophobicContact CB-CD2 3.34Å; A297-Y354 HydrophobicContact CB-CE2 3.29Å; A297-Y354 HydrophobicContact CB-CG 4.03Å
298V94.4Very high92.9Very high4 Ų431.9 Ų31.92%0.02415%0.15CC..Hα-helixtrans-61.4-44175.8163.70000111.6E294 R295 W300 L301 L302 A357 E361E294-V298 HydrophobicContact CG-CG2 4.24Å; E294-V298 WeakPolarHBondContact O-CB 3.41Å; E294-V298 WeakPolarHBondContact O-CG2 3.41Å; E294-V298 PolarHBondContact O-N 3.14Å; R295-V298 PolarHBondContact O-N 3.4Å; V298-W300 VanDerWaalsContact C-N 3.31Å; V298-W300 PolarHBondContact O-N 3Å; V298-L301 PolarHBondContact O-N 3.47Å; V298-L302 HydrophobicContact CG1-CD1 3.97Å; V298-L302 HydrophobicContact CG1-CG 4.48Å; V298-L302 WeakPolarHBondContact O-CG 3.28Å; V298-L302 PolarHBondContact O-N 2.92Å; V298-A357 HydrophobicContact CG2-CB 3.8Å; V298-E361 HydrophobicContact CG1-CB 4.08Å; V298-E361 HydrophobicContact CG1-CG 3.74Å
299N91.8Very high92.9Very high8 Ų832.3 Ų32.34%0.04315%0.151CC..Hα-helixtrans-61.4-41176.4-81.616000111.8P248 A250 R295 Y296 L302 L303P248-N299 VanDerWaalsContact CA-ND2 3.28Å; P248-N299 WeakPolarHBondContact CA-ND2 3.33Å; P248-N299 VanDerWaalsContact CB-ND2 3.3Å; P248-N299 WeakPolarHBondContact CB-ND2 3.44Å; P248-N299 PolarHBondContact O-ND2 3.5Å; A250-N299 PolarHBondContact O-ND2 2.82Å; A250-N299 VanDerWaalsContact O-ND2 3.16Å; R295-N299 PolarHBondContact NE-OD1 3.11Å; R295-N299 WeakPolarHBondContact O-CB 3.33Å; R295-N299 PolarHBondContact O-N 2.92Å; R295-N299 PolarHBondContact O-OD1 2.87Å; Y296-N299 PolarHBondContact O-N 3.28Å; N299-L302 PolarHBondContact O-N 2.84Å; N299-L303 WeakPolarHBondContact O-CB 3.24Å; N299-L303 PolarHBondContact O-N 3.11Å
300W93.5Very high92.7Very high0 Ų038.7 Ų38.70%018%0.18CC..Hα-helixtrans-61.3-45.1173-179.2-90.7000112.3A269 A271 T274 Y296 A297 V298 L303 T304 Y318 T343 T347 F350A269-W300 HydrophobicContact CB-CZ3 4.17Å; A271-W300 VanDerWaalsContact CA-CZ2 3.48Å; A271-W300 HydrophobicContact CB-CH2 3.57Å; A271-W300 HydrophobicContact CB-CZ2 3.23Å; T274-W300 HydrophobicContact CG2-CB 4.04Å; T274-W300 HydrophobicContact CG2-CD2 4.39Å; T274-W300 HydrophobicContact CG2-CE3 4.17Å; T274-W300 HydrophobicContact CG2-CG 4.34Å; Y296-W300 PolarHBondContact O-N 3.36Å; A297-W300 WeakPolarHBondContact O-CB 3.45Å; A297-W300 PolarHBondContact O-N 3.03Å; V298-W300 VanDerWaalsContact C-N 3.31Å; V298-W300 PolarHBondContact O-N 3Å; W300-L303 PolarHBondContact O-N 2.94Å; W300-T304 HydrophobicContact CD2-CG2 4.2Å; W300-T304 HydrophobicContact CG-CG2 4.46Å; W300-T304 HydrophobicContact CZ2-CG2 3.8Å; W300-T304 WeakPolarHBondContact O-CB 3.15Å; W300-T304 WeakPolarHBondContact O-CG2 3.31Å; W300-T304 PolarHBondContact O-N 3.38Å; W300-T304 PolarHBondContact O-OG1 3.48Å; W300-Y318 AromaticContact CH2-CD2 3.91Å; W300-Y318 HydrophobicContact CH2-CD2 3.91Å; W300-Y318 HydrophobicContact CH2-CE2 4.45Å; W300-Y318 HydrophobicContact CZ2-CD2 4.34Å; W300-Y318 HydrophobicContact CZ2-CE2 4.47Å; W300-T343 HydrophobicContact CZ2-CG2 4.1Å; W300-T347 PolarHBondContact NE1-OG1 3.21Å; W300-T347 VanDerWaalsContact NE1-OG1 3.09Å; W300-F350 HydrophobicContact CB-CD2 4.14Å; W300-F350 HydrophobicContact CB-CE2 4.13Å; W300-F350 AromaticContact CD1-CD2 3.7Å; W300-F350 HydrophobicContact CG-CD2 4.08Å; W300-F350 HydrophobicContact CG-CE2 4.11Å
301L94.7Very high92.7Very high0 Ų036.1 Ų36.10%017%0.172CC..Hα-helixtrans-62.4-44176.5-69.8172.4000111.8W68 A297 V298 T304 Y305 T347 F350 L351 F358W68-L301 HydrophobicContact CH2-CD2 4.23Å; W68-L301 HydrophobicContact CZ3-CD2 4.23Å; A297-L301 WeakPolarHBondContact O-CG 3.45Å; A297-L301 PolarHBondContact O-N 3.49Å; V298-L301 PolarHBondContact O-N 3.47Å; L301-T304 WeakPolarHBondContact CA-OG1 3.43Å; L301-T304 PolarHBondContact O-N 3.33Å; L301-T304 PolarHBondContact O-OG1 2.98Å; L301-Y305 WeakPolarHBondContact O-CB 3.33Å; L301-Y305 PolarHBondContact O-N 2.95Å; L301-T347 HydrophobicContact CD2-CG2 3.98Å; L301-F350 HydrophobicContact CD1-CB 4.17Å; L301-F350 HydrophobicContact CD2-CB 3.95Å; L301-F350 HydrophobicContact CG-CB 4.06Å; L301-L351 HydrophobicContact CD2-CB 3.91Å; L301-L351 HydrophobicContact CD2-CD1 4.47Å; L301-F358 HydrophobicContact CB-CD1 4.12Å; L301-F358 HydrophobicContact CB-CD2 3.74Å; L301-F358 HydrophobicContact CB-CE1 4.15Å; L301-F358 HydrophobicContact CB-CE2 3.8Å; L301-F358 HydrophobicContact CB-CG 3.91Å; L301-F358 HydrophobicContact CB-CZ 4.01Å; L301-F358 HydrophobicContact CD1-CB 3.87Å; L301-F358 HydrophobicContact CD1-CD1 4.11Å; L301-F358 HydrophobicContact CD1-CG 3.93Å
302L92.2Very high92.6Very high28 Ų2835.9 Ų35.915%0.14716%0.164CC..Hα-helixtrans-59.1-48.5174.7-75.6165.2000111.6V298 N299 Q306 F358 E361 L362V298-L302 HydrophobicContact CG1-CD1 3.97Å; V298-L302 HydrophobicContact CG1-CG 4.48Å; V298-L302 WeakPolarHBondContact O-CG 3.28Å; V298-L302 PolarHBondContact O-N 2.92Å; N299-L302 PolarHBondContact O-N 2.84Å; L302-Q306 VanDerWaalsContact O-CB 3.3Å; L302-Q306 WeakPolarHBondContact O-CB 2.92Å; L302-Q306 WeakPolarHBondContact O-CG 3.33Å; L302-Q306 PolarHBondContact O-N 3.36Å; L302-F358 HydrophobicContact CB-CE2 4.41Å; L302-F358 HydrophobicContact CD2-CD2 4.28Å; L302-F358 HydrophobicContact CD2-CE2 3.72Å; L302-F358 HydrophobicContact CG-CD2 4.16Å; L302-F358 HydrophobicContact CG-CE2 3.8Å; L302-E361 HydrophobicContact CD1-CB 4.49Å; L302-L362 HydrophobicContact CD2-CD2 3.84Å; L302-L362 HydrophobicContact CD2-CG 4.42Å
303L91.4Very high92.6Very high10 Ų1040.2 Ų40.25%0.05218%0.182CC..Hα-helixtrans-61.3-48.3-179.8175.657.8000111.9K251 N299 W300 S307 Y318K251-L303 HydrophobicContact CB-CD1 4.28Å; K251-L303 HydrophobicContact CD-CD1 4.31Å; N299-L303 WeakPolarHBondContact O-CB 3.24Å; N299-L303 PolarHBondContact O-N 3.11Å; W300-L303 PolarHBondContact O-N 2.94Å; L303-S307 WeakPolarHBondContact O-CB 2.83Å; L303-S307 PolarHBondContact O-N 3.48Å; L303-S307 VanDerWaalsContact O-N 3.14Å; L303-Y318 HydrophobicContact CD1-CD1 4.29Å; L303-Y318 HydrophobicContact CD2-CD1 4.47Å; L303-Y318 HydrophobicContact CD2-CG 4.3Å; L303-Y318 HydrophobicContact CG-CD1 3.91Å; L303-Y318 HydrophobicContact CG-CG 4.24Å
304T94.1Very high92.7Very high0 Ų040.2 Ų40.20%018%0.182CC..Hα-helixtrans-71-40.6-178.751.20000112.2W300 L301 S307 Y308 M314 Y318W300-T304 HydrophobicContact CD2-CG2 4.2Å; W300-T304 HydrophobicContact CG-CG2 4.46Å; W300-T304 HydrophobicContact CZ2-CG2 3.8Å; W300-T304 WeakPolarHBondContact O-CB 3.15Å; W300-T304 WeakPolarHBondContact O-CG2 3.31Å; W300-T304 PolarHBondContact O-N 3.38Å; W300-T304 PolarHBondContact O-OG1 3.48Å; L301-T304 WeakPolarHBondContact CA-OG1 3.43Å; L301-T304 PolarHBondContact O-N 3.33Å; L301-T304 PolarHBondContact O-OG1 2.98Å; T304-S307 PolarHBondContact O-N 3.29Å; T304-Y308 WeakPolarHBondContact O-CB 3.34Å; T304-Y308 PolarHBondContact O-N 3.07Å; T304-M314 HydrophobicContact CG2-CE 4.33Å; T304-Y318 HydrophobicContact CG2-CD1 4.36Å; T304-Y318 HydrophobicContact CG2-CD2 4.38Å; T304-Y318 HydrophobicContact CG2-CE1 3.87Å; T304-Y318 HydrophobicContact CG2-CE2 3.96Å
305Y93.7Very high92.6Very high26 Ų2637.1 Ų37.110%0.10217%0.168CC..Hα-helixtrans-64.5-49176.9-178.1-111.4000111.9P64 L65 W68 L301 S307 Y308 M309 F358 L362P64-Y305 VanDerWaalsContact CG-OH 3.23Å; P64-Y305 WeakPolarHBondContact CG-OH 3.3Å; L65-Y305 HydrophobicContact CD2-CE2 4.45Å; W68-Y305 HydrophobicContact CB-CE2 4.29Å; W68-Y305 AromaticContact CD2-CD2 3.58Å; W68-Y305 HydrophobicContact CD2-CD2 3.58Å; W68-Y305 HydrophobicContact CD2-CE2 4.21Å; W68-Y305 AromaticContact CE3-CD2 3.49Å; W68-Y305 HydrophobicContact CE3-CD2 3.49Å; W68-Y305 VanDerWaalsContact CE3-CD2 3.49Å; W68-Y305 HydrophobicContact CE3-CE2 4.21Å; W68-Y305 HydrophobicContact CE3-CG 4.3Å; W68-Y305 HydrophobicContact CG-CD2 4.05Å; W68-Y305 HydrophobicContact CG-CE2 4.26Å; W68-Y305 HydrophobicContact CH2-CD2 4.28Å; W68-Y305 HydrophobicContact CH2-CG 4.49Å; W68-Y305 HydrophobicContact CZ2-CD2 4.36Å; W68-Y305 AromaticContact CZ3-CD2 3.87Å; W68-Y305 HydrophobicContact CZ3-CD2 3.87Å; W68-Y305 HydrophobicContact CZ3-CG 4.24Å; L301-Y305 WeakPolarHBondContact O-CB 3.33Å; L301-Y305 PolarHBondContact O-N 2.95Å; Y305-S307 VanDerWaalsContact C-N 3.3Å; Y305-S307 PolarHBondContact O-N 3.27Å; Y305-Y308 PolarHBondContact O-N 3.44Å; Y305-M309 HydrophobicContact CD1-CG 4.21Å; Y305-M309 HydrophobicContact CD2-CG 4.15Å; Y305-M309 HydrophobicContact CE1-CG 3.87Å; Y305-M309 HydrophobicContact CE2-CG 3.82Å; Y305-M309 HydrophobicContact CE2-SD 3.8Å; Y305-M309 HydrophobicContact CG-CG 4.34Å; Y305-M309 WeakPolarHBondContact O-CB 3.45Å; Y305-M309 VanDerWaalsContact O-CG 3.27Å; Y305-M309 WeakPolarHBondContact O-CG 3.49Å; Y305-M309 PolarHBondContact O-N 3.43Å; Y305-F358 HydrophobicContact CD1-CZ 4.08Å; Y305-F358 AromaticContact CG-CZ 3.89Å; Y305-F358 HydrophobicContact CG-CZ 3.89Å; Y305-L362 HydrophobicContact CD1-CD2 4.05Å; Y305-L362 HydrophobicContact CE1-CD1 4.39Å; Y305-L362 HydrophobicContact CE1-CD2 4.13Å
306Q89.9Confident92.6Very high101 Ų10134.3 Ų34.347%0.47216%0.158SC..Hα-helixtrans-59-44.6177.5-74.1174.8-8.900111.6L302 M309 Q310L302-Q306 VanDerWaalsContact O-CB 3.3Å; L302-Q306 WeakPolarHBondContact O-CB 2.92Å; L302-Q306 WeakPolarHBondContact O-CG 3.33Å; L302-Q306 PolarHBondContact O-N 3.36Å; Q306-M309 PolarHBondContact O-N 3.3Å; Q306-Q310 WeakPolarHBondContact O-CG 3.12Å; Q306-Q310 PolarHBondContact O-N 3.31Å; Q306-Q310 VanDerWaalsContact O-N 3.15Å
307S91.7Very high92.5Very high2 Ų234.9 Ų34.91%0.01416%0.16CC..Hα-helixtrans-60.3-44.1175.4169.30000112.5L303 T304 Y305 Q310 S311 F315 Y318 P327L303-S307 WeakPolarHBondContact O-CB 2.83Å; L303-S307 PolarHBondContact O-N 3.48Å; L303-S307 VanDerWaalsContact O-N 3.14Å; T304-S307 PolarHBondContact O-N 3.29Å; Y305-S307 VanDerWaalsContact C-N 3.3Å; Y305-S307 PolarHBondContact O-N 3.27Å; S307-Q310 PolarHBondContact O-N 2.97Å; S307-S311 WeakPolarHBondContact O-CB 3.21Å; S307-S311 PolarHBondContact O-N 3.19Å; S307-S311 PolarHBondContact O-OG 3.24Å; S307-F315 VanDerWaalsContact OG-CD2 3.32Å; S307-F315 WeakPolarHBondContact OG-CD2 3.39Å; S307-F315 VanDerWaalsContact OG-CE2 3.25Å; S307-F315 WeakPolarHBondContact OG-CE2 3.42Å; S307-Y318 VanDerWaalsContact CB-CE1 3.5Å; S307-Y318 WeakPolarHBondContact OG-CE1 3.24Å; S307-P327 WeakPolarHBondContact CB-O 2.91Å; S307-P327 WeakPolarHBondContact OG-CB 3.42Å; S307-P327 PolarHBondContact OG-O 3.43Å
308Y93Very high92.4Very high15 Ų1534.9 Ų34.96%0.05916%0.16CC..Hα-helixtrans-67.4-41.5178.2-175.3-94.3000111.9W68 E71 T304 Y305 Q310 S311 R312 M314W68-Y308 AromaticContact CD1-CD1 3.35Å; W68-Y308 AromaticContact CD1-CE1 3.48Å; W68-Y308 VanDerWaalsContact CD1-CE1 3.48Å; W68-Y308 AromaticContact CD1-CG 3.94Å; W68-Y308 HydrophobicContact CG-CD1 4.4Å; W68-Y308 AromaticContact NE1-CD1 3.35Å; W68-Y308 VanDerWaalsContact NE1-CD1 3.35Å; W68-Y308 AromaticContact NE1-CD2 3.98Å; W68-Y308 AromaticContact NE1-CE1 3.85Å; W68-Y308 AromaticContact NE1-CG 3.43Å; E71-Y308 WeakPolarHBondContact CB-OH 3.28Å; E71-Y308 WeakPolarHBondContact OE2-CE1 3.39Å; E71-Y308 PolarHBondContact OE2-OH 3.26Å; T304-Y308 WeakPolarHBondContact O-CB 3.34Å; T304-Y308 PolarHBondContact O-N 3.07Å; Y305-Y308 PolarHBondContact O-N 3.44Å; Y308-Q310 PolarHBondContact O-N 3.4Å; Y308-S311 PolarHBondContact O-N 3Å; Y308-R312 VanDerWaalsContact CE1-CZ 3.47Å; Y308-R312 WeakPolarHBondContact CE2-O 3.46Å; Y308-R312 WeakPolarHBondContact O-CA 3.42Å; Y308-R312 PolarHBondContact O-N 3.25Å; Y308-R312 PolarHBondContact OH-NH2 3.44Å; Y308-M314 HydrophobicContact CD2-CG 4.04Å; Y308-M314 HydrophobicContact CD2-SD 3.6Å; Y308-M314 HydrophobicContact CE2-CG 4.41Å; Y308-M314 HydrophobicContact CE2-SD 4.44Å; Y308-M314 HydrophobicContact CG-SD 4.15Å
309M90.9Very high92.1Very high98 Ų9835.7 Ų35.748%0.48317%0.165SC..Hα-helixtrans-63.2-30.5176.7-69.6-55.6-68.900112.7Y305 Q306Y305-M309 HydrophobicContact CD1-CG 4.21Å; Y305-M309 HydrophobicContact CD2-CG 4.15Å; Y305-M309 HydrophobicContact CE1-CG 3.87Å; Y305-M309 HydrophobicContact CE2-CG 3.82Å; Y305-M309 HydrophobicContact CE2-SD 3.8Å; Y305-M309 HydrophobicContact CG-CG 4.34Å; Y305-M309 WeakPolarHBondContact O-CB 3.45Å; Y305-M309 VanDerWaalsContact O-CG 3.27Å; Y305-M309 WeakPolarHBondContact O-CG 3.49Å; Y305-M309 PolarHBondContact O-N 3.43Å; Q306-M309 PolarHBondContact O-N 3.3Å
310Q89.1Confident91.8Very high133 Ų13335.6 Ų35.662%0.62116%0.164SC*.Hα-helixtrans-82.2-41.9177.2-70.5174.4-2.400113.3Q306 S307 Y308Q306-Q310 WeakPolarHBondContact O-CG 3.12Å; Q306-Q310 PolarHBondContact O-N 3.31Å; Q306-Q310 VanDerWaalsContact O-N 3.15Å; S307-Q310 PolarHBondContact O-N 2.97Å; Y308-Q310 PolarHBondContact O-N 3.4Å
311S91Very high91.3Very high30 Ų3036.4 Ų36.421%0.2117%0.17CC..Hα-helixtrans-108.9-19.5-167.967.90000114.5S307 Y308 F313 F315S307-S311 WeakPolarHBondContact O-CB 3.21Å; S307-S311 PolarHBondContact O-N 3.19Å; S307-S311 PolarHBondContact O-OG 3.24Å; Y308-S311 PolarHBondContact O-N 3Å; S311-F313 WeakPolarHBondContact O-CD2 3.13Å; S311-F313 WeakPolarHBondContact O-CE2 3.43Å; S311-F313 PolarHBondContact O-N 3.5Å; S311-F313 PolarHBondContact OG-N 3.02Å; S311-F313 PolarHBondContact OG-O 3.47Å; S311-F315 VanDerWaalsContact OG-CE2 3.28Å; S311-F315 WeakPolarHBondContact OG-CE2 3.41Å
312R91.9Very high90.4Very high116 Ų11642.9 Ų42.944%0.43820%0.202SC..SBendtrans60.817.9-169.4-53.1-59.9-60.9177.6-3.2114.3E71 Y308E71-R312 IonicContact OE1-CZ 3.98Å; E71-R312 IonicContact OE1-NH2 3.58Å; E71-R312 PolarHBondContact OE1-NH2 2.89Å; E71-R312 IonicContact OE2-CZ 3.91Å; E71-R312 IonicContact OE2-NH1 2.74Å; E71-R312 PolarHBondContact OE2-NH1 2.99Å; E71-R312 IonicContact OE2-NH2 2.91Å; E71-R312 PolarHBondContact OE2-NH2 2.99Å; Y308-R312 VanDerWaalsContact CE1-CZ 3.47Å; Y308-R312 WeakPolarHBondContact CE2-O 3.46Å; Y308-R312 WeakPolarHBondContact O-CA 3.42Å; Y308-R312 PolarHBondContact O-N 3.25Å; Y308-R312 PolarHBondContact OH-NH2 3.44Å
313F91.8Very high89.6Confident109 Ų10951.2 Ų51.248%0.47824%0.237SC..  trans-121.8146.1178.7-63.4-64000112.4S311 F315 T338S311-F313 WeakPolarHBondContact O-CD2 3.13Å; S311-F313 WeakPolarHBondContact O-CE2 3.43Å; S311-F313 PolarHBondContact O-N 3.5Å; S311-F313 PolarHBondContact OG-N 3.02Å; S311-F313 PolarHBondContact OG-O 3.47Å; F313-F315 HydrophobicContact CB-CE1 4.28Å; F313-F315 HydrophobicContact CB-CE2 4.31Å; F313-F315 HydrophobicContact CB-CZ 4Å; F313-T338 HydrophobicContact CB-CG2 3.84Å; F313-T338 HydrophobicContact CD1-CG2 4.25Å; F313-T338 HydrophobicContact CD2-CG2 4.41Å; F313-T338 HydrophobicContact CG-CG2 3.92Å
314M94.8Very high88.7Confident1 Ų151.8 Ų51.81%0.00524%0.242CC..  trans-94.7126.9164.4-62.5-58-6900109.1W68 L72 I75 T304 Y308 T338 G339 F340 T343 T347W68-M314 HydrophobicContact CZ2-CE 4.45Å; W68-M314 HydrophobicContact CZ2-SD 4.43Å; L72-M314 HydrophobicContact CD2-CE 3.81Å; L72-M314 HydrophobicContact CD2-CG 3.7Å; L72-M314 HydrophobicContact CD2-SD 3.66Å; I75-M314 HydrophobicContact CD1-CB 4.22Å; I75-M314 HydrophobicContact CD1-CG 3.56Å; T304-M314 HydrophobicContact CG2-CE 4.33Å; Y308-M314 HydrophobicContact CD2-CG 4.04Å; Y308-M314 HydrophobicContact CD2-SD 3.6Å; Y308-M314 HydrophobicContact CE2-CG 4.41Å; Y308-M314 HydrophobicContact CE2-SD 4.44Å; Y308-M314 HydrophobicContact CG-SD 4.15Å; M314-T338 CarbonylContact O-C 3.32Å; M314-T338 VanDerWaalsContact O-CA 3.28Å; M314-T338 WeakPolarHBondContact O-CA 3.12Å; M314-G339 PolarHBondContact O-N 3.29Å; M314-F340 PolarHBondContact O-N 3.44Å; M314-T343 HydrophobicContact CB-CG2 4.45Å; M314-T343 HydrophobicContact CE-CG2 3.66Å; M314-T347 HydrophobicContact CE-CG2 4Å
315F93.6Very high87.8Confident8 Ų858.7 Ų58.74%0.03528%0.279CS..BIsolated β-bridgetrans-98.3158.1-173.2-63.7-80.3000112.6S307 S311 F313 K317 Y318 P327 Y328 V336 Q337 T338 T343S307-F315 VanDerWaalsContact OG-CD2 3.32Å; S307-F315 WeakPolarHBondContact OG-CD2 3.39Å; S307-F315 VanDerWaalsContact OG-CE2 3.25Å; S307-F315 WeakPolarHBondContact OG-CE2 3.42Å; S311-F315 VanDerWaalsContact OG-CE2 3.28Å; S311-F315 WeakPolarHBondContact OG-CE2 3.41Å; F313-F315 HydrophobicContact CB-CE1 4.28Å; F313-F315 HydrophobicContact CB-CE2 4.31Å; F313-F315 HydrophobicContact CB-CZ 4Å; F315-K317 VanDerWaalsContact C-N 3.29Å; F315-K317 PolarHBondContact O-N 3.34Å; F315-Y318 HydrophobicContact CB-CD2 4.47Å; F315-Y318 HydrophobicContact CB-CE2 3.89Å; F315-Y318 HydrophobicContact CD2-CE1 4.06Å; F315-Y318 PolarHBondContact N-OH 3.37Å; F315-Y318 WeakPolarHBondContact O-CE2 3.42Å; F315-P327 HydrophobicContact CE2-CG 4.41Å; F315-Y328 HydrophobicContact CD1-CD1 4.24Å; F315-Y328 HydrophobicContact CD1-CG 4.18Å; F315-Y328 AromaticContact CE1-CD1 3.66Å; F315-Y328 HydrophobicContact CE1-CD1 3.66Å; F315-Y328 HydrophobicContact CE1-CE1 4.44Å; F315-Y328 HydrophobicContact CE1-CG 4.05Å; F315-Y328 HydrophobicContact CE2-CD1 4.18Å; F315-Y328 AromaticContact CZ-CD1 3.63Å; F315-Y328 HydrophobicContact CZ-CD1 3.63Å; F315-Y328 HydrophobicContact CZ-CE1 4.46Å; F315-Y328 HydrophobicContact CZ-CG 4.31Å; F315-V336 HydrophobicContact CD1-CG1 3.45Å; F315-V336 VanDerWaalsContact CD1-CG1 3.45Å; F315-V336 HydrophobicContact CE1-CG1 3.81Å; F315-Q337 WeakPolarHBondContact CA-O 3.37Å; F315-T338 HydrophobicContact CD1-CG2 3.85Å; F315-T338 HydrophobicContact CE1-CG2 3.72Å; F315-T343 VanDerWaalsContact O-CB 3.31Å; F315-T343 WeakPolarHBondContact O-CB 3.35Å; F315-T343 WeakPolarHBondContact O-CG2 3.17Å; F315-T343 PolarHBondContact O-OG1 3.47Å
316K92.9Very high87Confident31 Ų3160.6 Ų60.614%0.13529%0.29CS..SBendtrans-57.5-41.2171.5-178.2173.3-178173.20113.2F90 W270 Q337 F340 W342F90-K316 HydrophobicContact CE2-CD 4.01Å; F90-K316 VanDerWaalsContact CE2-NZ 3.26Å; W270-K316 HydrophobicContact CH2-CD 4.38Å; W270-K316 HydrophobicContact CH2-CG 4.38Å; W270-K316 HydrophobicContact CZ3-CD 4.15Å; W270-K316 VanDerWaalsContact CZ3-CE 3.43Å; W270-K316 HydrophobicContact CZ3-CG 3.83Å; K316-Q337 HydrophobicContact CB-CB 4.06Å; K316-Q337 HydrophobicContact CD-CB 4.32Å; K316-Q337 HydrophobicContact CD-CG 4.38Å; K316-Q337 PolarHBondContact N-O 2.71Å; K316-F340 HydrophobicContact CB-CB 4.3Å; K316-F340 HydrophobicContact CB-CD1 4.44Å; K316-F340 HydrophobicContact CB-CD2 3.49Å; K316-F340 VanDerWaalsContact CB-CD2 3.49Å; K316-F340 HydrophobicContact CB-CE2 3.8Å; K316-F340 HydrophobicContact CB-CG 3.82Å; K316-F340 HydrophobicContact CB-CZ 4.41Å; K316-F340 HydrophobicContact CD-CD2 4.11Å; K316-F340 HydrophobicContact CD-CE2 3.48Å; K316-F340 VanDerWaalsContact CD-CE2 3.48Å; K316-F340 HydrophobicContact CD-CZ 3.82Å; K316-F340 HydrophobicContact CG-CD1 4.28Å; K316-F340 HydrophobicContact CG-CD2 3.7Å; K316-F340 HydrophobicContact CG-CE1 4.12Å; K316-F340 HydrophobicContact CG-CE2 3.47Å; K316-F340 VanDerWaalsContact CG-CE2 3.47Å; K316-F340 HydrophobicContact CG-CG 4.07Å; K316-F340 HydrophobicContact CG-CZ 3.68Å; K316-W342 HydrophobicContact CD-CZ2 4.33Å; K316-W342 HydrophobicContact CG-CZ2 3.61Å; K316-W342 PolarHBondContact O-NE1 2.89Å
317K91.8Very high86.4Confident12 Ų1256.8 Ų56.85%0.05227%0.274CS..SBendtrans-149.7152.6-174.559-175.5179-177.40109.8Q263 A269 W270 F315 G329 R330 G331Q263-K317 VanDerWaalsContact CB-NZ 3.31Å; Q263-K317 VanDerWaalsContact CG-NZ 3.34Å; A269-K317 WeakPolarHBondContact O-CA 3.44Å; W270-K317 HydrophobicContact CD2-CB 3.96Å; W270-K317 HydrophobicContact CE3-CB 4.21Å; W270-K317 HydrophobicContact CH2-CB 4.35Å; W270-K317 HydrophobicContact CH2-CD 3.84Å; W270-K317 HydrophobicContact CZ2-CB 4.08Å; W270-K317 HydrophobicContact CZ2-CD 3.49Å; W270-K317 VanDerWaalsContact CZ2-CD 3.49Å; W270-K317 HydrophobicContact CZ2-CG 4.36Å; W270-K317 HydrophobicContact CZ3-CB 4.43Å; F315-K317 VanDerWaalsContact C-N 3.29Å; F315-K317 PolarHBondContact O-N 3.34Å; K317-G329 PolarHBondContact O-N 2.92Å; K317-R330 WeakPolarHBondContact CE-O 3.48Å; K317-R330 PolarHBondContact NZ-O 3.34Å; K317-G331 PolarHBondContact NZ-O 2.99Å
318Y92.3Very high86.1Confident0 Ų059 Ų590%028%0.282CS..EExtended strand (participates in β ladder)trans-121.1151.9-174.2-71.8-106.3000111.4N268 A269 W300 L303 T304 S307 F315 P327 T343N268-Y318 CarbonylContact C-O 3.52Å; N268-Y318 WeakPolarHBondContact CA-O 3.31Å; A269-Y318 PolarHBondContact N-O 3.39Å; A269-Y318 PolarHBondContact O-N 3.08Å; W300-Y318 AromaticContact CH2-CD2 3.91Å; W300-Y318 HydrophobicContact CH2-CD2 3.91Å; W300-Y318 HydrophobicContact CH2-CE2 4.45Å; W300-Y318 HydrophobicContact CZ2-CD2 4.34Å; W300-Y318 HydrophobicContact CZ2-CE2 4.47Å; L303-Y318 HydrophobicContact CD1-CD1 4.29Å; L303-Y318 HydrophobicContact CD2-CD1 4.47Å; L303-Y318 HydrophobicContact CD2-CG 4.3Å; L303-Y318 HydrophobicContact CG-CD1 3.91Å; L303-Y318 HydrophobicContact CG-CG 4.24Å; T304-Y318 HydrophobicContact CG2-CD1 4.36Å; T304-Y318 HydrophobicContact CG2-CD2 4.38Å; T304-Y318 HydrophobicContact CG2-CE1 3.87Å; T304-Y318 HydrophobicContact CG2-CE2 3.96Å; S307-Y318 VanDerWaalsContact CB-CE1 3.5Å; S307-Y318 WeakPolarHBondContact OG-CE1 3.24Å; F315-Y318 HydrophobicContact CB-CD2 4.47Å; F315-Y318 HydrophobicContact CB-CE2 3.89Å; F315-Y318 HydrophobicContact CD2-CE1 4.06Å; F315-Y318 PolarHBondContact N-OH 3.37Å; F315-Y318 WeakPolarHBondContact O-CE2 3.42Å; Y318-P327 WeakPolarHBondContact CD1-O 3.39Å; Y318-T343 HydrophobicContact CE2-CG2 3.57Å
319N88.9Confident85.5Confident21 Ų2158.2 Ų58.211%0.11228%0.279CS..EExtended strand (participates in β ladder)trans-91.1125.1176.7-173.1-30000109.6S321 S324 Y328N319-S321 WeakPolarHBondContact OD1-CA 3.33Å; N319-S321 WeakPolarHBondContact OD1-CB 3.43Å; N319-S321 PolarHBondContact OD1-N 2.88Å; N319-S324 PolarHBondContact ND2-OG 3.08Å; N319-Y328 WeakPolarHBondContact CB-O 3.49Å
320T85.1Confident85.2Confident6 Ų659.7 Ų59.74%0.03728%0.279CS..  trans-92.2-5.9-179.164.10000113.8S252 D267 A269 M322S252-T320 WeakPolarHBondContact O-CG2 3.43Å; D267-T320 PolarHBondContact O-N 2.95Å; D267-T320 PolarHBondContact O-OG1 2.85Å; D267-T320 VanDerWaalsContact O-OG1 3.11Å; A269-T320 HydrophobicContact CB-CG2 3.37Å; T320-M322 PolarHBondContact O-N 3.41Å
321S82.3Confident84.5Confident18 Ų1854.8 Ų54.813%0.12626%0.264CS..  trans-66125.9-177.5-163.50000111.5K251 D267 N319 K323 S324K251-S321 WeakPolarHBondContact CE-O 3.37Å; K251-S321 PolarHBondContact NZ-O 3.3Å; K251-S321 VanDerWaalsContact NZ-O 3.09Å; D267-S321 WeakPolarHBondContact OD2-CB 3.44Å; D267-S321 PolarHBondContact OD2-OG 3.24Å; N319-S321 WeakPolarHBondContact OD1-CA 3.33Å; N319-S321 WeakPolarHBondContact OD1-CB 3.43Å; N319-S321 PolarHBondContact OD1-N 2.88Å; S321-K323 PolarHBondContact O-N 3.41Å; S321-K323 PolarHBondContact OG-N 3.01Å; S321-S324 PolarHBondContact O-N 3.46Å
322M76.3Confident83.5Confident135 Ų13555 Ų5567%0.66527%0.272SS*.THydrogen-bonded Turntrans-65.9-18.4170.4-64.5-68.1-94.100112.3K251 T320K251-M322 HydrophobicContact CD-SD 4.38Å; K251-M322 HydrophobicContact CG-SD 3.56Å; K251-M322 VanDerWaalsContact CG-SD 3.56Å; T320-M322 PolarHBondContact O-N 3.41Å
323K74.4Confident82.3Confident203 Ų20355.6 Ų55.688%0.88328%0.279SS*.THydrogen-bonded Turntrans-86.1-8.4-179.6-61.1-176.5179.2-177.60113.8S321S321-K323 PolarHBondContact O-N 3.41Å; S321-K323 PolarHBondContact OG-N 3.01Å
324S73.7Confident81.2Confident23 Ų2355.1 Ų55.116%0.16128%0.278CS..  trans-112.4125.2-177174.70000109.6K251 N319 S321 M326K251-S324 PolarHBondContact NZ-O 3.28Å; N319-S324 PolarHBondContact ND2-OG 3.08Å; S321-S324 PolarHBondContact O-N 3.46Å; S324-M326 VanDerWaalsContact OG-CB 3.32Å; S324-M326 WeakPolarHBondContact OG-CB 3.44Å; S324-M326 PolarHBondContact OG-N 3.2Å; S324-M326 VanDerWaalsContact OG-N 3.11Å
325D75.9Confident80.6Confident145 Ų14563.1 Ų63.178%0.77532%0.316SS*.  trans-79.4-9.5169-62.5-30.5000111.8
326M76.7Confident80Confident65 Ų6565.3 Ų65.332%0.3233%0.33SS..  trans-64.8127.6179.7-60-59.9-48.500110.8S324 Y328 R330S324-M326 VanDerWaalsContact OG-CB 3.32Å; S324-M326 WeakPolarHBondContact OG-CB 3.44Å; S324-M326 PolarHBondContact OG-N 3.2Å; S324-M326 VanDerWaalsContact OG-N 3.11Å; M326-Y328 HydrophobicContact CE-CD1 4.25Å; M326-Y328 HydrophobicContact CE-CE1 3.35Å; M326-Y328 HydrophobicContact CE-CE2 3.88Å; M326-Y328 WeakPolarHBondContact CE-OH 3.5Å; M326-Y328 PolarHBondContact O-N 2.92Å; M326-R330 VanDerWaalsContact CE-NH2 3.26Å
327P76Confident79.7Confident22 Ų2264.7 Ų64.714%0.14333%0.328CS..SBendtrans-82.94.2-17333.8-36.5000113.7S307 F315 Y318S307-P327 WeakPolarHBondContact CB-O 2.91Å; S307-P327 WeakPolarHBondContact OG-CB 3.42Å; S307-P327 PolarHBondContact OG-O 3.43Å; F315-P327 HydrophobicContact CE2-CG 4.41Å; Y318-P327 WeakPolarHBondContact CD1-O 3.39Å
328Y85Confident79.6Confident47 Ų4766.5 Ų66.518%0.18434%0.34CS..SBendtrans-138.7152.4-174.756.3-104.9000112.3F315 N319 M326 R330 V336F315-Y328 HydrophobicContact CD1-CD1 4.24Å; F315-Y328 HydrophobicContact CD1-CG 4.18Å; F315-Y328 AromaticContact CE1-CD1 3.66Å; F315-Y328 HydrophobicContact CE1-CD1 3.66Å; F315-Y328 HydrophobicContact CE1-CE1 4.44Å; F315-Y328 HydrophobicContact CE1-CG 4.05Å; F315-Y328 HydrophobicContact CE2-CD1 4.18Å; F315-Y328 AromaticContact CZ-CD1 3.63Å; F315-Y328 HydrophobicContact CZ-CD1 3.63Å; F315-Y328 HydrophobicContact CZ-CE1 4.46Å; F315-Y328 HydrophobicContact CZ-CG 4.31Å; N319-Y328 WeakPolarHBondContact CB-O 3.49Å; M326-Y328 HydrophobicContact CE-CD1 4.25Å; M326-Y328 HydrophobicContact CE-CE1 3.35Å; M326-Y328 HydrophobicContact CE-CE2 3.88Å; M326-Y328 WeakPolarHBondContact CE-OH 3.5Å; M326-Y328 PolarHBondContact O-N 2.92Å; Y328-R330 HydrophobicContact CD2-CG 4.07Å; Y328-R330 HydrophobicContact CE2-CG 3.94Å; Y328-R330 PolarHBondContact OH-NH2 3.3Å; Y328-R330 VanDerWaalsContact OH-NH2 3.1Å; Y328-V336 HydrophobicContact CD2-CB 4.45Å; Y328-V336 HydrophobicContact CD2-CG1 4.02Å; Y328-V336 HydrophobicContact CD2-CG2 3.61Å; Y328-V336 HydrophobicContact CE2-CG1 4.49Å; Y328-V336 HydrophobicContact CE2-CG2 3.57Å; Y328-V336 HydrophobicContact CG-CG1 4.04Å; Y328-V336 HydrophobicContact CG-CG2 4.44Å
329G81Confident79.2Confident0 Ų067.3 Ų67.30%035%0.348CS..  trans-76.3157.7174.900000112.1N268 K317N268-G329 WeakPolarHBondContact OD1-CA 3.2Å; K317-G329 PolarHBondContact O-N 2.92Å
330R84.1Confident79.4Confident128 Ų12866.3 Ų66.348%0.48334%0.342SS..  trans-130.3-171-175-68.2-174.1-180-115.17.9111.3N268 K317 M326 Y328N268-R330 PolarHBondContact ND2-O 3.32Å; N268-R330 PolarHBondContact OD1-N 3.42Å; N268-R330 PolarHBondContact OD1-O 2.96Å; K317-R330 WeakPolarHBondContact CE-O 3.48Å; K317-R330 PolarHBondContact NZ-O 3.34Å; M326-R330 VanDerWaalsContact CE-NH2 3.26Å; Y328-R330 HydrophobicContact CD2-CG 4.07Å; Y328-R330 HydrophobicContact CE2-CG 3.94Å; Y328-R330 PolarHBondContact OH-NH2 3.3Å; Y328-R330 VanDerWaalsContact OH-NH2 3.1Å
331G74.7Confident79.7Confident30 Ų3066 Ų6631%0.30934%0.341SS..  trans88.7163.7176.300000114.1G261 Q263 K317G261-G331 WeakPolarHBondContact O-CA 3.49Å; Q263-G331 WeakPolarHBondContact CG-O 3.01Å; Q263-G331 PolarHBondContact NE2-O 2.97Å; Q263-G331 VanDerWaalsContact NE2-O 3.08Å; K317-G331 PolarHBondContact NZ-O 2.99Å
332G69.9Low80.2Confident36 Ų3665.4 Ų65.437%0.37134%0.335SS..SBendtrans69.3-161.7-174.300000116G261 Q263 H334G261-G332 PolarHBondContact O-N 3.47Å; Q263-G332 VanDerWaalsContact CG-CA 3.47Å; G332-H334 PolarHBondContact O-N 3.22Å
333E68.2Low81.2Confident127 Ų12759 Ų5959%0.59330%0.304SS*.SBendtrans-78.5-11.5-160.6-66.1167.4-119.300117.3W170W170-E333 HydrophobicContact CH2-CG 3.33Å; W170-E333 WeakPolarHBondContact CH2-OE1 3.3Å; W170-E333 VanDerWaalsContact CZ2-CD 3.42Å; W170-E333 HydrophobicContact CZ2-CG 4.03Å; W170-E333 WeakPolarHBondContact CZ2-OE1 2.84Å; W170-E333 HydrophobicContact CZ3-CG 4.05Å
334H68.7Low82.2Confident99 Ų9949.3 Ų49.346%0.45826%0.262SS..SBendtrans-133.8155.4-169.6-57.7-48000112.3Q89 G332Q89-H334 PolarHBondContact NE2-CD2 3.24Å; G332-H334 PolarHBondContact O-N 3.22Å
335E80.5Confident83.2Confident170 Ų17048.2 Ų48.279%0.79425%0.254SS*.  trans-61.1163.4172.7-62.7-169.9165.400112.2Q337E335-Q337 WeakPolarHBondContact O-CG 3.29Å; E335-Q337 PolarHBondContact O-N 2.92Å; E335-Q337 PolarHBondContact O-NE2 2.92Å
336V82.7Confident84.1Confident54 Ų5441.3 Ų41.333%0.32722%0.217SC..  trans-63.1133.3-179.2176.70000110F315 Y328F315-V336 HydrophobicContact CD1-CG1 3.45Å; F315-V336 VanDerWaalsContact CD1-CG1 3.45Å; F315-V336 HydrophobicContact CE1-CG1 3.81Å; Y328-V336 HydrophobicContact CD2-CB 4.45Å; Y328-V336 HydrophobicContact CD2-CG1 4.02Å; Y328-V336 HydrophobicContact CD2-CG2 3.61Å; Y328-V336 HydrophobicContact CE2-CG1 4.49Å; Y328-V336 HydrophobicContact CE2-CG2 3.57Å; Y328-V336 HydrophobicContact CG-CG1 4.04Å; Y328-V336 HydrophobicContact CG-CG2 4.44Å
337Q85.9Confident85.1Confident18 Ų1838.2 Ų38.28%0.08420%0.202CC..  trans-108.4136.3-176.9-54.9-64.3-45.700110.5F90 F315 K316 E335 F340F90-Q337 HydrophobicContact CD2-CG 4.42Å; F90-Q337 HydrophobicContact CE2-CG 3.85Å; F315-Q337 WeakPolarHBondContact CA-O 3.37Å; K316-Q337 HydrophobicContact CB-CB 4.06Å; K316-Q337 HydrophobicContact CD-CB 4.32Å; K316-Q337 HydrophobicContact CD-CG 4.38Å; K316-Q337 PolarHBondContact N-O 2.71Å; E335-Q337 WeakPolarHBondContact O-CG 3.29Å; E335-Q337 PolarHBondContact O-N 2.92Å; E335-Q337 PolarHBondContact O-NE2 2.92Å; Q337-F340 HydrophobicContact CB-CD2 4.18Å; Q337-F340 HydrophobicContact CB-CE2 4.41Å
338T88.5Confident85.9Confident50 Ų5037.2 Ų37.231%0.30720%0.195SC..BIsolated β-bridgetrans-118.2163.4-174.556.30000112.3F313 M314 F315F313-T338 HydrophobicContact CB-CG2 3.84Å; F313-T338 HydrophobicContact CD1-CG2 4.25Å; F313-T338 HydrophobicContact CD2-CG2 4.41Å; F313-T338 HydrophobicContact CG-CG2 3.92Å; M314-T338 CarbonylContact O-C 3.32Å; M314-T338 VanDerWaalsContact O-CA 3.28Å; M314-T338 WeakPolarHBondContact O-CA 3.12Å; F315-T338 HydrophobicContact CD1-CG2 3.85Å; F315-T338 HydrophobicContact CE1-CG2 3.72Å
339G84.7Confident86.3Confident16 Ų1636.3 Ų36.317%0.16520%0.195CC..SBendtrans73.123.3-176.900000113.5L79 M314 G341L79-G339 VanDerWaalsContact CD1-O 3.31Å; L79-G339 WeakPolarHBondContact CD1-O 3.25Å; L79-G339 WeakPolarHBondContact CD2-O 3.35Å; M314-G339 PolarHBondContact O-N 3.29Å; G339-G341 PolarHBondContact O-N 3.08Å
340F92.1Very high87Confident1 Ų136.5 Ų36.50%0.00420%0.196CC..  trans-74.6126.4-156.1-150-84.9000115.3A86 F90 D97 M314 K316 Q337 W342 T343 N344A86-F340 HydrophobicContact CB-CE1 3.83Å; A86-F340 HydrophobicContact CB-CE2 4.06Å; A86-F340 HydrophobicContact CB-CZ 3.58Å; A86-F340 CarbonylContact O-C 3.59Å; A86-F340 WeakPolarHBondContact O-CA 3.47Å; A86-F340 WeakPolarHBondContact O-CD2 3.41Å; A86-F340 WeakPolarHBondContact O-CG 3.41Å; F90-F340 AromaticContact CD2-CE2 3.68Å; F90-F340 HydrophobicContact CD2-CE2 3.68Å; F90-F340 HydrophobicContact CD2-CZ 4.27Å; F90-F340 AromaticContact CE2-CE2 3.93Å; F90-F340 HydrophobicContact CE2-CE2 3.93Å; F90-F340 HydrophobicContact CE2-CZ 4.49Å; D97-F340 WeakPolarHBondContact OD1-CE1 3.43Å; M314-F340 PolarHBondContact O-N 3.44Å; K316-F340 HydrophobicContact CB-CB 4.3Å; K316-F340 HydrophobicContact CB-CD1 4.44Å; K316-F340 HydrophobicContact CB-CD2 3.49Å; K316-F340 VanDerWaalsContact CB-CD2 3.49Å; K316-F340 HydrophobicContact CB-CE2 3.8Å; K316-F340 HydrophobicContact CB-CG 3.82Å; K316-F340 HydrophobicContact CB-CZ 4.41Å; K316-F340 HydrophobicContact CD-CD2 4.11Å; K316-F340 HydrophobicContact CD-CE2 3.48Å; K316-F340 VanDerWaalsContact CD-CE2 3.48Å; K316-F340 HydrophobicContact CD-CZ 3.82Å; K316-F340 HydrophobicContact CG-CD1 4.28Å; K316-F340 HydrophobicContact CG-CD2 3.7Å; K316-F340 HydrophobicContact CG-CE1 4.12Å; K316-F340 HydrophobicContact CG-CE2 3.47Å; K316-F340 VanDerWaalsContact CG-CE2 3.47Å; K316-F340 HydrophobicContact CG-CG 4.07Å; K316-F340 HydrophobicContact CG-CZ 3.68Å; Q337-F340 HydrophobicContact CB-CD2 4.18Å; Q337-F340 HydrophobicContact CB-CE2 4.41Å; F340-W342 AromaticContact CD1-CD1 3.41Å; F340-W342 VanDerWaalsContact CD1-CD1 3.41Å; F340-W342 AromaticContact CD1-CD2 3.76Å; F340-W342 HydrophobicContact CD1-CD2 3.76Å; F340-W342 AromaticContact CD1-CE2 3.39Å; F340-W342 AromaticContact CD1-CG 3.63Å; F340-W342 HydrophobicContact CD1-CG 3.63Å; F340-W342 AromaticContact CD1-CZ2 4Å; F340-W342 HydrophobicContact CD1-CZ2 4Å; F340-W342 AromaticContact CD1-NE1 3.14Å; F340-W342 AromaticContact CE1-CD1 3.8Å; F340-W342 AromaticContact CE1-CD2 3.29Å; F340-W342 HydrophobicContact CE1-CD2 3.29Å; F340-W342 AromaticContact CE1-CE2 2.99Å; F340-W342 AromaticContact CE1-CE3 3.91Å; F340-W342 HydrophobicContact CE1-CE3 3.91Å; F340-W342 AromaticContact CE1-CG 3.66Å; F340-W342 HydrophobicContact CE1-CG 3.66Å; F340-W342 AromaticContact CE1-CH2 3.9Å; F340-W342 HydrophobicContact CE1-CH2 3.9Å; F340-W342 AromaticContact CE1-CZ2 3.27Å; F340-W342 HydrophobicContact CE1-CZ2 3.27Å; F340-W342 HydrophobicContact CE1-CZ3 4.19Å; F340-W342 AromaticContact CE1-NE1 3.33Å; F340-W342 VanDerWaalsContact CE1-NE1 3.33Å; F340-W342 HydrophobicContact CZ-CD2 4.35Å; F340-W342 AromaticContact CZ-CE2 3.85Å; F340-W342 HydrophobicContact CZ-CH2 4.06Å; F340-W342 AromaticContact CZ-CZ2 3.63Å; F340-W342 HydrophobicContact CZ-CZ2 3.63Å; F340-W342 PolarHBondContact O-N 3.16Å; F340-T343 WeakPolarHBondContact O-CB 3.09Å; F340-T343 PolarHBondContact O-N 3.02Å; F340-N344 PolarHBondContact O-N 3.19Å
341G91.7Very high87.5Confident0 Ų030.4 Ų30.40%017%0.173CC..Hα-helixtrans-59.4-46.1-169.800000115.5A86 G339 T343 N344 G345A86-G341 PolarHBondContact O-N 3.47Å; G339-G341 PolarHBondContact O-N 3.08Å; G341-T343 PolarHBondContact O-N 2.91Å; G341-N344 PolarHBondContact O-N 3.38Å; G341-G345 PolarHBondContact O-N 3.45Å
342W94.4Very high88.4Confident4 Ų431.7 Ų31.72%0.01517%0.172CC..Hα-helixtrans-65.3-29.9175.263.542000112.3W96 D97 W100 W264 W270 P272 K316 F340 V346W96-W342 AromaticContact CE2-CZ3 3.8Å; W96-W342 HydrophobicContact CH2-CZ3 4.49Å; W96-W342 HydrophobicContact CZ2-CH2 4.2Å; W96-W342 AromaticContact CZ2-CZ3 3.69Å; W96-W342 HydrophobicContact CZ2-CZ3 3.69Å; W96-W342 AromaticContact NE1-CZ3 3.9Å; D97-W342 HydrophobicContact CB-CE3 4.21Å; D97-W342 WeakPolarHBondContact OD1-CZ3 3.07Å; W100-W342 HydrophobicContact CB-CB 3.49Å; W100-W342 VanDerWaalsContact CB-CB 3.49Å; W100-W342 HydrophobicContact CG-CB 3.94Å; W264-W342 HydrophobicContact CH2-CH2 4.44Å; W264-W342 HydrophobicContact CZ2-CH2 4.32Å; W270-W342 AromaticContact CE3-CE2 3.99Å; W270-W342 AromaticContact CE3-CH2 3.65Å; W270-W342 HydrophobicContact CE3-CH2 3.65Å; W270-W342 AromaticContact CE3-CZ2 3.21Å; W270-W342 HydrophobicContact CE3-CZ2 3.21Å; W270-W342 AromaticContact CZ3-CH2 3.46Å; W270-W342 HydrophobicContact CZ3-CH2 3.46Å; W270-W342 VanDerWaalsContact CZ3-CH2 3.46Å; W270-W342 AromaticContact CZ3-CZ2 3.19Å; W270-W342 HydrophobicContact CZ3-CZ2 3.19Å; P272-W342 HydrophobicContact CG-CB 4.18Å; P272-W342 HydrophobicContact CG-CD2 3.81Å; P272-W342 HydrophobicContact CG-CE3 3.75Å; P272-W342 HydrophobicContact CG-CG 3.98Å; P272-W342 HydrophobicContact CG-CZ3 4.49Å; K316-W342 HydrophobicContact CD-CZ2 4.33Å; K316-W342 HydrophobicContact CG-CZ2 3.61Å; K316-W342 PolarHBondContact O-NE1 2.89Å; F340-W342 AromaticContact CD1-CD1 3.41Å; F340-W342 VanDerWaalsContact CD1-CD1 3.41Å; F340-W342 AromaticContact CD1-CD2 3.76Å; F340-W342 HydrophobicContact CD1-CD2 3.76Å; F340-W342 AromaticContact CD1-CE2 3.39Å; F340-W342 AromaticContact CD1-CG 3.63Å; F340-W342 HydrophobicContact CD1-CG 3.63Å; F340-W342 AromaticContact CD1-CZ2 4Å; F340-W342 HydrophobicContact CD1-CZ2 4Å; F340-W342 AromaticContact CD1-NE1 3.14Å; F340-W342 AromaticContact CE1-CD1 3.8Å; F340-W342 AromaticContact CE1-CD2 3.29Å; F340-W342 HydrophobicContact CE1-CD2 3.29Å; F340-W342 AromaticContact CE1-CE2 2.99Å; F340-W342 AromaticContact CE1-CE3 3.91Å; F340-W342 HydrophobicContact CE1-CE3 3.91Å; F340-W342 AromaticContact CE1-CG 3.66Å; F340-W342 HydrophobicContact CE1-CG 3.66Å; F340-W342 AromaticContact CE1-CH2 3.9Å; F340-W342 HydrophobicContact CE1-CH2 3.9Å; F340-W342 AromaticContact CE1-CZ2 3.27Å; F340-W342 HydrophobicContact CE1-CZ2 3.27Å; F340-W342 HydrophobicContact CE1-CZ3 4.19Å; F340-W342 AromaticContact CE1-NE1 3.33Å; F340-W342 VanDerWaalsContact CE1-NE1 3.33Å; F340-W342 HydrophobicContact CZ-CD2 4.35Å; F340-W342 AromaticContact CZ-CE2 3.85Å; F340-W342 HydrophobicContact CZ-CH2 4.06Å; F340-W342 AromaticContact CZ-CZ2 3.63Å; F340-W342 HydrophobicContact CZ-CZ2 3.63Å; F340-W342 PolarHBondContact O-N 3.16Å; W342-V346 WeakPolarHBondContact O-CB 3.43Å; W342-V346 VanDerWaalsContact O-CG2 3.26Å; W342-V346 WeakPolarHBondContact O-CG2 3.37Å; W342-V346 PolarHBondContact O-N 3.14Å
343T95.9Very high89.4Confident0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-75.6-44.6-175-62.90000106.9W300 M314 F315 Y318 F340 G341 T347W300-T343 HydrophobicContact CZ2-CG2 4.1Å; M314-T343 HydrophobicContact CB-CG2 4.45Å; M314-T343 HydrophobicContact CE-CG2 3.66Å; F315-T343 VanDerWaalsContact O-CB 3.31Å; F315-T343 WeakPolarHBondContact O-CB 3.35Å; F315-T343 WeakPolarHBondContact O-CG2 3.17Å; F315-T343 PolarHBondContact O-OG1 3.47Å; Y318-T343 HydrophobicContact CE2-CG2 3.57Å; F340-T343 WeakPolarHBondContact O-CB 3.09Å; F340-T343 PolarHBondContact O-N 3.02Å; G341-T343 PolarHBondContact O-N 2.91Å; T343-T347 WeakPolarHBondContact O-CB 3.3Å; T343-T347 PolarHBondContact O-N 3.47Å; T343-T347 PolarHBondContact O-OG1 3.42Å
344N94.9Very high90.7Very high0 Ų030.3 Ų30.30%015%0.154CC..Hα-helixtrans-56.2-52.9173.3-159.346.8000110.8L72 I75 W76 F340 G341 V346 T347 M348L72-N344 WeakPolarHBondContact CB-OD1 3.42Å; L72-N344 VanDerWaalsContact CD2-OD1 3.28Å; L72-N344 WeakPolarHBondContact CD2-OD1 3.49Å; L72-N344 PolarHBondContact O-ND2 3.15Å; L72-N344 PolarHBondContact O-OD1 2.91Å; I75-N344 HydrophobicContact CG2-CB 4.47Å; W76-N344 HydrophobicContact CH2-CB 4.01Å; W76-N344 HydrophobicContact CZ2-CB 4.25Å; W76-N344 VanDerWaalsContact CZ2-ND2 3.26Å; W76-N344 WeakPolarHBondContact CZ2-ND2 3.26Å; W76-N344 HydrophobicContact CZ3-CB 4.42Å; F340-N344 PolarHBondContact O-N 3.19Å; G341-N344 PolarHBondContact O-N 3.38Å; N344-V346 PolarHBondContact O-N 3.49Å; N344-T347 PolarHBondContact O-N 3.14Å; N344-M348 WeakPolarHBondContact O-CB 3.48Å; N344-M348 WeakPolarHBondContact O-CG 3.31Å; N344-M348 PolarHBondContact O-N 3.21Å
345G94.8Very high91.9Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-64.2-42.2-176.200000114.2G104 G341 T349G104-G345 VanDerWaalsContact CA-CA 3.46Å; G341-G345 PolarHBondContact O-N 3.45Å; G345-T349 WeakPolarHBondContact O-CB 3.37Å; G345-T349 PolarHBondContact O-N 3.15Å; G345-T349 VanDerWaalsContact O-N 3.09Å; G345-T349 PolarHBondContact O-OG1 3.37Å
346V96Very high92.4Very high1 Ų121.6 Ų21.61%0.00612%0.124CC..Hα-helixtrans-67.3-43.4175.6166.90000111.3W100 A271 H275 W342 N344 T349 F350W100-V346 HydrophobicContact CB-CG2 4.48Å; W100-V346 HydrophobicContact CE3-CG2 4.01Å; A271-V346 HydrophobicContact CB-CB 3.7Å; A271-V346 HydrophobicContact CB-CG1 3.9Å; A271-V346 HydrophobicContact CB-CG2 3.78Å; H275-V346 HydrophobicContact CB-CG1 4.13Å; H275-V346 HydrophobicContact CB-CG2 3.95Å; W342-V346 WeakPolarHBondContact O-CB 3.43Å; W342-V346 VanDerWaalsContact O-CG2 3.26Å; W342-V346 WeakPolarHBondContact O-CG2 3.37Å; W342-V346 PolarHBondContact O-N 3.14Å; N344-V346 PolarHBondContact O-N 3.49Å; V346-T349 PolarHBondContact O-N 2.93Å; V346-F350 HydrophobicContact CG1-CD2 4.1Å; V346-F350 HydrophobicContact CG1-CE2 3.88Å; V346-F350 HydrophobicContact CG1-CZ 4.14Å; V346-F350 WeakPolarHBondContact O-CG 3.42Å; V346-F350 PolarHBondContact O-N 2.93Å
347T96.5Very high93Very high0 Ų019.3 Ų19.30%011%0.11CC..Hα-helixtrans-65.5-45.7-178-56.40000111.2W68 L72 W300 L301 M314 T343 N344 T349 F350 L351W68-T347 HydrophobicContact CH2-CG2 3.48Å; W68-T347 VanDerWaalsContact CH2-CG2 3.48Å; W68-T347 HydrophobicContact CZ2-CG2 3.64Å; W68-T347 HydrophobicContact CZ3-CG2 4.37Å; L72-T347 HydrophobicContact CD1-CG2 3.88Å; W300-T347 PolarHBondContact NE1-OG1 3.21Å; W300-T347 VanDerWaalsContact NE1-OG1 3.09Å; L301-T347 HydrophobicContact CD2-CG2 3.98Å; M314-T347 HydrophobicContact CE-CG2 4Å; T343-T347 WeakPolarHBondContact O-CB 3.3Å; T343-T347 PolarHBondContact O-N 3.47Å; T343-T347 PolarHBondContact O-OG1 3.42Å; N344-T347 PolarHBondContact O-N 3.14Å; T347-T349 PolarHBondContact O-N 3.26Å; T347-F350 PolarHBondContact O-N 2.76Å; T347-L351 VanDerWaalsContact O-CB 3.27Å; T347-L351 WeakPolarHBondContact O-CB 3.23Å; T347-L351 PolarHBondContact O-N 2.92Å
348M94.2Very high93.4Very high0 Ų018.4 Ų18.40%011%0.106CC..Hα-helixtrans-60.6-44.7174.5-70.1-177.677.700111.6F56 L69 L72 H73 W76 S108 N344 F350 L351 L352F56-M348 HydrophobicContact CE2-CE 3.96Å; F56-M348 HydrophobicContact CZ-CE 3.96Å; L69-M348 HydrophobicContact CD1-CE 4.06Å; L69-M348 HydrophobicContact CD1-CG 4.31Å; L72-M348 HydrophobicContact CB-CG 3.66Å; L72-M348 HydrophobicContact CB-SD 4Å; L72-M348 HydrophobicContact CD1-CG 3.95Å; L72-M348 HydrophobicContact CG-CG 4.4Å; H73-M348 HydrophobicContact CB-CE 3.95Å; W76-M348 HydrophobicContact CZ2-SD 3.99Å; W76-M348 PolarHBondContact NE1-SD 3.34Å; S108-M348 WeakPolarHBondContact OG-CE 3.43Å; N344-M348 WeakPolarHBondContact O-CB 3.48Å; N344-M348 WeakPolarHBondContact O-CG 3.31Å; N344-M348 PolarHBondContact O-N 3.21Å; M348-F350 VanDerWaalsContact C-N 3.32Å; M348-F350 PolarHBondContact O-N 3.22Å; M348-L351 PolarHBondContact O-N 3.2Å; M348-L352 WeakPolarHBondContact O-CB 3.47Å; M348-L352 WeakPolarHBondContact O-CG 3.3Å; M348-L352 PolarHBondContact O-N 2.84Å
349T93.6Very high93.6Very high29 Ų2918.3 Ų18.318%0.17810%0.102CC..Hα-helixtrans-57.9-45.3177.6-58.60000111.5G345 V346 T347 K353G345-T349 WeakPolarHBondContact O-CB 3.37Å; G345-T349 PolarHBondContact O-N 3.15Å; G345-T349 VanDerWaalsContact O-N 3.09Å; G345-T349 PolarHBondContact O-OG1 3.37Å; V346-T349 PolarHBondContact O-N 2.93Å; T347-T349 PolarHBondContact O-N 3.26Å; T349-K353 WeakPolarHBondContact O-CB 3.41Å; T349-K353 PolarHBondContact O-N 2.99Å
350F95.4Very high94Very high3 Ų324.2 Ų24.21%0.01312%0.119CC..Hα-helixtrans-70.1-41.5177.4-74.4-3.2000112.5T274 H275 V278 A297 W300 L301 V346 T347 M348 K353 Y354T274-F350 HydrophobicContact CG2-CE2 3.93Å; T274-F350 HydrophobicContact CG2-CZ 4.38Å; H275-F350 HydrophobicContact CB-CZ 4.24Å; H275-F350 AromaticContact CD2-CE1 3.65Å; V278-F350 HydrophobicContact CB-CE1 4.07Å; V278-F350 HydrophobicContact CB-CZ 3.83Å; V278-F350 HydrophobicContact CG1-CE1 3.93Å; V278-F350 HydrophobicContact CG1-CZ 4.14Å; V278-F350 HydrophobicContact CG2-CE1 4.24Å; V278-F350 HydrophobicContact CG2-CE2 4.22Å; V278-F350 HydrophobicContact CG2-CZ 3.59Å; A297-F350 HydrophobicContact CB-CB 4.49Å; A297-F350 HydrophobicContact CB-CD1 4.31Å; A297-F350 HydrophobicContact CB-CD2 3.84Å; A297-F350 HydrophobicContact CB-CE1 4.45Å; A297-F350 HydrophobicContact CB-CE2 4.02Å; A297-F350 HydrophobicContact CB-CG 3.98Å; A297-F350 HydrophobicContact CB-CZ 4.3Å; W300-F350 HydrophobicContact CB-CD2 4.14Å; W300-F350 HydrophobicContact CB-CE2 4.13Å; W300-F350 AromaticContact CD1-CD2 3.7Å; W300-F350 HydrophobicContact CG-CD2 4.08Å; W300-F350 HydrophobicContact CG-CE2 4.11Å; L301-F350 HydrophobicContact CD1-CB 4.17Å; L301-F350 HydrophobicContact CD2-CB 3.95Å; L301-F350 HydrophobicContact CG-CB 4.06Å; V346-F350 HydrophobicContact CG1-CD2 4.1Å; V346-F350 HydrophobicContact CG1-CE2 3.88Å; V346-F350 HydrophobicContact CG1-CZ 4.14Å; V346-F350 WeakPolarHBondContact O-CG 3.42Å; V346-F350 PolarHBondContact O-N 2.93Å; T347-F350 PolarHBondContact O-N 2.76Å; M348-F350 VanDerWaalsContact C-N 3.32Å; M348-F350 PolarHBondContact O-N 3.22Å; F350-K353 PolarHBondContact O-N 2.88Å; F350-Y354 HydrophobicContact CB-CD2 4.18Å; F350-Y354 HydrophobicContact CD1-CD2 4.38Å; F350-Y354 HydrophobicContact CD1-CE2 4.02Å; F350-Y354 HydrophobicContact CE1-CE2 4.5Å; F350-Y354 HydrophobicContact CG-CD2 4.41Å; F350-Y354 HydrophobicContact CG-CE2 4.44Å; F350-Y354 WeakPolarHBondContact O-CB 3.42Å; F350-Y354 WeakPolarHBondContact O-CD2 3.17Å; F350-Y354 PolarHBondContact O-N 3.38Å
351L94.4Very high94Very high0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-62.5-47-178.7-176.256.4000110.4L61 W68 L69 L72 L301 T347 M348 K353 A355 F358L61-L351 HydrophobicContact CD1-CD1 4.21Å; L61-L351 HydrophobicContact CD1-CD2 4.29Å; L61-L351 HydrophobicContact CD1-CG 3.89Å; W68-L351 HydrophobicContact CD2-CD2 4.37Å; W68-L351 HydrophobicContact CE3-CD1 4.37Å; W68-L351 HydrophobicContact CE3-CD2 3.63Å; W68-L351 HydrophobicContact CZ3-CD1 4.24Å; W68-L351 HydrophobicContact CZ3-CD2 3.96Å; L69-L351 HydrophobicContact CB-CD2 3.85Å; L69-L351 HydrophobicContact CD1-CD2 4Å; L69-L351 HydrophobicContact CG-CD2 4.43Å; L72-L351 HydrophobicContact CD1-CD2 4.23Å; L301-L351 HydrophobicContact CD2-CB 3.91Å; L301-L351 HydrophobicContact CD2-CD1 4.47Å; T347-L351 VanDerWaalsContact O-CB 3.27Å; T347-L351 WeakPolarHBondContact O-CB 3.23Å; T347-L351 PolarHBondContact O-N 2.92Å; M348-L351 PolarHBondContact O-N 3.2Å; L351-K353 VanDerWaalsContact C-N 3.27Å; L351-K353 PolarHBondContact O-N 3.34Å; L351-A355 WeakPolarHBondContact O-CA 3.04Å; L351-A355 WeakPolarHBondContact O-CB 2.92Å; L351-A355 PolarHBondContact O-N 2.91Å; L351-F358 HydrophobicContact CD1-CD1 3.76Å; L351-F358 HydrophobicContact CD1-CE1 4.11Å
352L92.3Very high93.9Very high58 Ų5829.2 Ų29.230%0.30414%0.144SC..Hα-helixtrans-63.1-31.2177-73.8167.1000113.1F56 L69 A107 M348F56-L352 HydrophobicContact CD2-CD1 4.38Å; F56-L352 HydrophobicContact CD2-CD2 4.18Å; L69-L352 HydrophobicContact CD1-CD2 4.46Å; L69-L352 HydrophobicContact CD1-CG 4.26Å; L69-L352 HydrophobicContact CD2-CD2 3.74Å; L69-L352 HydrophobicContact CD2-CG 4.4Å; A107-L352 HydrophobicContact CB-CD1 3.8Å; A107-L352 WeakPolarHBondContact O-CD1 3.24Å; M348-L352 WeakPolarHBondContact O-CB 3.47Å; M348-L352 WeakPolarHBondContact O-CG 3.3Å; M348-L352 PolarHBondContact O-N 2.84Å
353K92.9Very high93.6Very high119 Ų11935.2 Ų35.252%0.51717%0.17SC..Hα-helixtrans-87.3-37.9-178.4-173.9171.2-177.2176.10113.9T349 F350 L351T349-K353 WeakPolarHBondContact O-CB 3.41Å; T349-K353 PolarHBondContact O-N 2.99Å; F350-K353 PolarHBondContact O-N 2.88Å; L351-K353 VanDerWaalsContact C-N 3.27Å; L351-K353 PolarHBondContact O-N 3.34Å
354Y94.6Very high93.3Very high14 Ų1437.4 Ų37.46%0.05519%0.185CC..Hα-helixtrans-118.515.2-169.4-56.2-74000113.6V278 Q282 E294 A297 F350 S356 A357 F358V278-Y354 HydrophobicContact CG1-CE2 4.14Å; V278-Y354 WeakPolarHBondContact CG1-OH 3.09Å; Q282-Y354 PolarHBondContact NE2-OH 3.44Å; Q282-Y354 PolarHBondContact OE1-OH 2.97Å; E294-Y354 HydrophobicContact CB-CD1 4.29Å; E294-Y354 HydrophobicContact CB-CE1 4.15Å; E294-Y354 HydrophobicContact CG-CD1 3.96Å; E294-Y354 HydrophobicContact CG-CE1 4.33Å; A297-Y354 HydrophobicContact CB-CD2 3.34Å; A297-Y354 HydrophobicContact CB-CE2 3.29Å; A297-Y354 HydrophobicContact CB-CG 4.03Å; F350-Y354 HydrophobicContact CB-CD2 4.18Å; F350-Y354 HydrophobicContact CD1-CD2 4.38Å; F350-Y354 HydrophobicContact CD1-CE2 4.02Å; F350-Y354 HydrophobicContact CE1-CE2 4.5Å; F350-Y354 HydrophobicContact CG-CD2 4.41Å; F350-Y354 HydrophobicContact CG-CE2 4.44Å; F350-Y354 WeakPolarHBondContact O-CB 3.42Å; F350-Y354 WeakPolarHBondContact O-CD2 3.17Å; F350-Y354 PolarHBondContact O-N 3.38Å; Y354-S356 VanDerWaalsContact C-N 3.27Å; Y354-S356 PolarHBondContact O-N 3.38Å; Y354-A357 PolarHBondContact O-N 3.02Å; Y354-F358 PolarHBondContact O-N 3.39Å
355A92.9Very high92.6Very high9 Ų940.3 Ų40.37%0.07421%0.209CC..Hα-helixtrans-47.7-47.2-179.100000113.4L61 L351 A357 F358 E359L61-A355 HydrophobicContact CD1-CB 4.34Å; L61-A355 HydrophobicContact CD2-CB 3.25Å; L61-A355 HydrophobicContact CG-CB 4.41Å; L351-A355 WeakPolarHBondContact O-CA 3.04Å; L351-A355 WeakPolarHBondContact O-CB 2.92Å; L351-A355 PolarHBondContact O-N 2.91Å; A355-A357 VanDerWaalsContact C-N 3.32Å; A355-A357 PolarHBondContact O-N 3.28Å; A355-F358 PolarHBondContact O-N 3.27Å; A355-E359 VanDerWaalsContact O-CB 3.28Å; A355-E359 WeakPolarHBondContact O-CB 3.35Å; A355-E359 PolarHBondContact O-N 3Å
356S92.7Very high91.7Very high78 Ų7844.3 Ų44.355%0.54524%0.242SC..Hα-helixtrans-63.5-36.8-179.3-44.30000112.7Y354 R360Y354-S356 VanDerWaalsContact C-N 3.27Å; Y354-S356 PolarHBondContact O-N 3.38Å; S356-R360 WeakPolarHBondContact O-CG 3.33Å; S356-R360 PolarHBondContact O-N 3.42Å; S356-R360 PolarHBondContact O-NH1 3.49Å
357A94.2Very high90.4Very high5 Ų548.2 Ų48.24%0.04127%0.27CS..Hα-helixtrans-71.1-42.9176.300000111.5E294 V298 Y354 A355 R360 E361E294-A357 VanDerWaalsContact CD-CB 3.45Å; E294-A357 HydrophobicContact CG-CB 3.83Å; E294-A357 VanDerWaalsContact OE1-CB 3.23Å; E294-A357 WeakPolarHBondContact OE1-CB 3.35Å; V298-A357 HydrophobicContact CG2-CB 3.8Å; Y354-A357 PolarHBondContact O-N 3.02Å; A355-A357 VanDerWaalsContact C-N 3.32Å; A355-A357 PolarHBondContact O-N 3.28Å; A357-R360 PolarHBondContact O-N 3.17Å; A357-E361 WeakPolarHBondContact O-CG 3.41Å; A357-E361 PolarHBondContact O-N 2.91Å
358F94.8Very high88.5Confident0 Ų054.8 Ų54.80%030%0.301CS..Hα-helixtrans-63-43.2176.6179.2-137.2000112.3L65 W68 L301 L302 Y305 L351 Y354 A355 R360 E361 L362L65-F358 HydrophobicContact CD1-CD1 3.98Å; L65-F358 HydrophobicContact CD1-CE1 4.35Å; L65-F358 HydrophobicContact CD2-CD1 3.99Å; L65-F358 HydrophobicContact CD2-CE1 3.49Å; L65-F358 VanDerWaalsContact CD2-CE1 3.49Å; L65-F358 HydrophobicContact CD2-CZ 4.37Å; W68-F358 HydrophobicContact CE3-CE1 4.35Å; W68-F358 AromaticContact CZ3-CE1 3.82Å; W68-F358 HydrophobicContact CZ3-CE1 3.82Å; W68-F358 HydrophobicContact CZ3-CZ 4.26Å; L301-F358 HydrophobicContact CB-CD1 4.12Å; L301-F358 HydrophobicContact CB-CD2 3.74Å; L301-F358 HydrophobicContact CB-CE1 4.15Å; L301-F358 HydrophobicContact CB-CE2 3.8Å; L301-F358 HydrophobicContact CB-CG 3.91Å; L301-F358 HydrophobicContact CB-CZ 4.01Å; L301-F358 HydrophobicContact CD1-CB 3.87Å; L301-F358 HydrophobicContact CD1-CD1 4.11Å; L301-F358 HydrophobicContact CD1-CG 3.93Å; L302-F358 HydrophobicContact CB-CE2 4.41Å; L302-F358 HydrophobicContact CD2-CD2 4.28Å; L302-F358 HydrophobicContact CD2-CE2 3.72Å; L302-F358 HydrophobicContact CG-CD2 4.16Å; L302-F358 HydrophobicContact CG-CE2 3.8Å; Y305-F358 HydrophobicContact CD1-CZ 4.08Å; Y305-F358 AromaticContact CG-CZ 3.89Å; Y305-F358 HydrophobicContact CG-CZ 3.89Å; L351-F358 HydrophobicContact CD1-CD1 3.76Å; L351-F358 HydrophobicContact CD1-CE1 4.11Å; Y354-F358 PolarHBondContact O-N 3.39Å; A355-F358 PolarHBondContact O-N 3.27Å; F358-R360 PolarHBondContact O-N 3.04Å; F358-E361 PolarHBondContact O-N 2.9Å; F358-E361 VanDerWaalsContact O-N 3.17Å; F358-L362 HydrophobicContact CD1-CD1 4.23Å; F358-L362 HydrophobicContact CD2-CD1 4.32Å; F358-L362 HydrophobicContact CD2-CG 4.16Å; F358-L362 HydrophobicContact CE1-CD1 3.81Å; F358-L362 HydrophobicContact CE2-CD1 3.89Å; F358-L362 HydrophobicContact CE2-CD2 3.99Å; F358-L362 HydrophobicContact CE2-CG 3.77Å; F358-L362 HydrophobicContact CG-CD1 4.47Å; F358-L362 HydrophobicContact CZ-CD1 3.62Å; F358-L362 HydrophobicContact CZ-CD2 4.16Å; F358-L362 HydrophobicContact CZ-CG 4.01Å; F358-L362 PolarHBondContact O-N 3.18Å
359E93Very high85.8Confident47 Ų4759.5 Ų59.522%0.2233%0.329CS..Hα-helixtrans-61.2-42.9176.9-171.3-163.9172.600111.9P62 L65 A355 E361 L362 K363P62-E359 VanDerWaalsContact CG-CD 3.42Å; P62-E359 HydrophobicContact CG-CG 4.1Å; L65-E359 HydrophobicContact CD1-CB 4.21Å; A355-E359 VanDerWaalsContact O-CB 3.28Å; A355-E359 WeakPolarHBondContact O-CB 3.35Å; A355-E359 PolarHBondContact O-N 3Å; E359-E361 VanDerWaalsContact C-N 3.26Å; E359-E361 PolarHBondContact O-N 3.04Å; E359-L362 PolarHBondContact O-N 3.49Å; E359-K363 HydrophobicContact CG-CD 4.27Å; E359-K363 WeakPolarHBondContact O-CB 3.5Å; E359-K363 WeakPolarHBondContact O-CG 3.27Å; E359-K363 PolarHBondContact O-N 3.4Å; E359-K363 WeakPolarHBondContact OE1-CE 3.5Å; E359-K363 IonicContact OE1-NZ 2.61Å; E359-K363 PolarHBondContact OE1-NZ 2.66Å
360R92.8Very high83Confident140 Ų14064.1 Ų64.153%0.52836%0.36SS..Hα-helixtrans-57.1-42.1174.6-75.3-172.8-55.6-98.19.8111.5E294 S356 A357 F358 K363 S364E294-R360 IonicContact OE1-NH2 2.81Å; E294-R360 PolarHBondContact OE1-NH2 3.03Å; S356-R360 WeakPolarHBondContact O-CG 3.33Å; S356-R360 PolarHBondContact O-N 3.42Å; S356-R360 PolarHBondContact O-NH1 3.49Å; A357-R360 PolarHBondContact O-N 3.17Å; F358-R360 PolarHBondContact O-N 3.04Å; R360-K363 PolarHBondContact O-N 3.46Å; R360-S364 WeakPolarHBondContact O-CB 3.23Å; R360-S364 PolarHBondContact O-N 3.25Å
361E91.5Very high80Confident67 Ų6770.6 Ų70.631%0.31339%0.393SS..Hα-helixtrans-72.2-39.6-178.8-69.3-82.4162.500112.1R295 V298 L302 A357 F358 E359 K363 S364 A365R295-E361 IonicContact CZ-OE2 2.65Å; R295-E361 IonicContact NH1-OE1 2.83Å; R295-E361 PolarHBondContact NH1-OE1 2.99Å; R295-E361 IonicContact NH1-OE2 3.29Å; R295-E361 PolarHBondContact NH1-OE2 3.17Å; V298-E361 HydrophobicContact CG1-CB 4.08Å; V298-E361 HydrophobicContact CG1-CG 3.74Å; L302-E361 HydrophobicContact CD1-CB 4.49Å; A357-E361 WeakPolarHBondContact O-CG 3.41Å; A357-E361 PolarHBondContact O-N 2.91Å; F358-E361 PolarHBondContact O-N 2.9Å; F358-E361 VanDerWaalsContact O-N 3.17Å; E359-E361 VanDerWaalsContact C-N 3.26Å; E359-E361 PolarHBondContact O-N 3.04Å; E361-K363 PolarHBondContact O-N 3.26Å; E361-S364 PolarHBondContact O-N 2.88Å; E361-A365 WeakPolarHBondContact O-CB 3.47Å; E361-A365 PolarHBondContact O-N 3.23Å
362L90.3Very high77Confident40 Ų4078.9 Ų78.921%0.20943%0.429CS..Hα-helixtrans-60.7-44172.1-73.9175.1000112L65 L302 Y305 F358 E359 A365 A366L65-L362 HydrophobicContact CD1-CD1 4.43Å; L65-L362 HydrophobicContact CD2-CD1 3.72Å; L65-L362 HydrophobicContact CG-CD1 4.45Å; L302-L362 HydrophobicContact CD2-CD2 3.84Å; L302-L362 HydrophobicContact CD2-CG 4.42Å; Y305-L362 HydrophobicContact CD1-CD2 4.05Å; Y305-L362 HydrophobicContact CE1-CD1 4.39Å; Y305-L362 HydrophobicContact CE1-CD2 4.13Å; F358-L362 HydrophobicContact CD1-CD1 4.23Å; F358-L362 HydrophobicContact CD2-CD1 4.32Å; F358-L362 HydrophobicContact CD2-CG 4.16Å; F358-L362 HydrophobicContact CE1-CD1 3.81Å; F358-L362 HydrophobicContact CE2-CD1 3.89Å; F358-L362 HydrophobicContact CE2-CD2 3.99Å; F358-L362 HydrophobicContact CE2-CG 3.77Å; F358-L362 HydrophobicContact CG-CD1 4.47Å; F358-L362 HydrophobicContact CZ-CD1 3.62Å; F358-L362 HydrophobicContact CZ-CD2 4.16Å; F358-L362 HydrophobicContact CZ-CG 4.01Å; F358-L362 PolarHBondContact O-N 3.18Å; E359-L362 PolarHBondContact O-N 3.49Å; L362-A365 PolarHBondContact O-N 3.44Å; L362-A366 WeakPolarHBondContact O-CB 3.22Å; L362-A366 PolarHBondContact O-N 2.8Å
363K89Confident74Confident129 Ų12984 Ų8456%0.56145%0.452SS*.Hα-helixtrans-63.7-42.1175.8-75.4173.7171172.70111.9E359 R360 E361 A366 S367E359-K363 HydrophobicContact CG-CD 4.27Å; E359-K363 WeakPolarHBondContact O-CB 3.5Å; E359-K363 WeakPolarHBondContact O-CG 3.27Å; E359-K363 PolarHBondContact O-N 3.4Å; E359-K363 WeakPolarHBondContact OE1-CE 3.5Å; E359-K363 IonicContact OE1-NZ 2.61Å; E359-K363 PolarHBondContact OE1-NZ 2.66Å; R360-K363 PolarHBondContact O-N 3.46Å; E361-K363 PolarHBondContact O-N 3.26Å; K363-A366 PolarHBondContact O-N 2.85Å; K363-S367 WeakPolarHBondContact O-CB 3.31Å; K363-S367 PolarHBondContact O-N 2.94Å; K363-S367 PolarHBondContact O-OG 3.2Å
364S88Confident70.9Confident47 Ų4784.5 Ų84.533%0.32947%0.467SS..Hα-helixtrans-59.7-49175.3-1770000111.2R360 E361 A366 S367 Q368R360-S364 WeakPolarHBondContact O-CB 3.23Å; R360-S364 PolarHBondContact O-N 3.25Å; E361-S364 PolarHBondContact O-N 2.88Å; S364-A366 VanDerWaalsContact C-N 3.32Å; S364-A366 PolarHBondContact O-N 2.77Å; S364-S367 PolarHBondContact O-N 3.47Å; S364-S367 VanDerWaalsContact O-N 3.14Å; S364-S367 PolarHBondContact O-OG 2.7Å; S364-Q368 WeakPolarHBondContact O-CG 3.35Å; S364-Q368 PolarHBondContact O-N 2.75Å
365A80.8Confident68Low61 Ų6188.7 Ų88.750%0.50450%0.498SS..Hα-helixtrans-61.6-37.4177.700000112.8E361 L362E361-A365 WeakPolarHBondContact O-CB 3.47Å; E361-A365 PolarHBondContact O-N 3.23Å; L362-A365 PolarHBondContact O-N 3.44Å
366A76.4Confident65.5Low83 Ų8398.4 Ų98.469%0.68653%0.534SS*.Hα-helixtrans-71-32.9175.300000113.1L362 K363 S364L362-A366 WeakPolarHBondContact O-CB 3.22Å; L362-A366 PolarHBondContact O-N 2.8Å; K363-A366 PolarHBondContact O-N 2.85Å; S364-A366 VanDerWaalsContact C-N 3.32Å; S364-A366 PolarHBondContact O-N 2.77Å
367S68.4Low62.9Low84 Ų84102.5 Ų102.559%0.58755%0.548SS*.Hα-helixtrans-77-21.6178.773.30000113.6K363 S364 T369K363-S367 WeakPolarHBondContact O-CB 3.31Å; K363-S367 PolarHBondContact O-N 2.94Å; K363-S367 PolarHBondContact O-OG 3.2Å; S364-S367 PolarHBondContact O-N 3.47Å; S364-S367 VanDerWaalsContact O-N 3.14Å; S364-S367 PolarHBondContact O-OG 2.7Å; S367-T369 PolarHBondContact O-N 2.91Å
368Q56.3Low60.2Low138 Ų138108.7 Ų108.765%0.64558%0.58SS**  trans-74.275.1169.4-69.4178.825.300109.1S364S364-Q368 WeakPolarHBondContact O-CG 3.35Å; S364-Q368 PolarHBondContact O-N 2.75Å
369T36.8Very low57.5Low98 Ų98114.3 Ų114.360%0.60161%0.61SS**  trans-49.4133.9160.542.70000108.4S367 I371S367-T369 PolarHBondContact O-N 2.91Å; T369-I371 PolarHBondContact O-N 3.44Å
370P35.2Very low55Low126 Ų126122 Ų12282%0.81864%0.638SS**  trans-69.584.8178.828.3-33000109.2F372P370-F372 PolarHBondContact O-N 3.09Å
371I33.5Very low52.7Low139 Ų139120.4 Ų120.471%0.71364%0.644SS**  trans-76.783.2160.5-55.9171.6000104.3T369T369-I371 PolarHBondContact O-N 3.44Å
372F31.3Very low50.2Low174 Ų174123.3 Ų123.376%0.76366%0.656SS**SBendtrans159.3116.8145.8-96.8-84.1000111P370P370-F372 PolarHBondContact O-N 3.09Å
373Q28.5Very low48Very low166 Ų166126.4 Ų126.478%0.77667%0.671SS**  trans73.9105162.1-74.3173.1-59.800119.6C375Q373-C375 PolarHBondContact O-N 3.36Å
374P27.9Very low45.9Very low129 Ų129123.8 Ų123.884%0.83867%0.674SS**  trans-75.3103.4166.331.1-27.9000109.3
375C34.1Very low43.9Very low103 Ų103124.5 Ų124.570%0.69668%0.682SS**SBendtrans-137-4.6165.9-91.60000116Q373Q373-C375 PolarHBondContact O-N 3.36Å
376Y39.3Very low42.2Very low212 Ų212128 Ų12883%0.83169%0.688SS**SBendtrans-132.84.8-175.8-76.1-77.5000117.2
377L39.5Very low40.8Very low164 Ų164130.6 Ų130.686%0.85969%0.691SS**SBendtrans-103.68.2-179.8-109.6119.6000115.9
378L36.6Very low39.7Very low136 Ų136134.7 Ų134.771%0.71270%0.703SS**SBendtrans-95.5-3.8176.9-85.3164.2000115.2F382L378-F382 HydrophobicContact CD2-CE2 4.34Å
379L38.5Very low38.9Very low118 Ų118134 Ų13462%0.61871%0.707SS**SBendtrans-93.5-22.2-176.4-92.8153.2000115.3I383L379-I383 HydrophobicContact CD2-CD1 4.32Å; L379-I383 WeakPolarHBondContact O-CD1 3.39Å; L379-I383 WeakPolarHBondContact O-CG1 3.5Å
380Y41.2Very low39.4Very low207 Ų207140.8 Ų140.881%0.81274%0.739SS**Hα-helixtrans-92.5-19.2-178.5-89.9-83.6000115.1
381V43.5Very low39.6Very low108 Ų108141.5 Ų141.566%0.65574%0.735SS**Hα-helixtrans-88.4-19.6177.3-179.70000112.3
382F39.2Very low39.9Very low128 Ų128141.6 Ų141.656%0.56174%0.736SS**Hα-helixtrans-88.4-24.8176.4-90.8-84.2000114.6L378 H386L378-F382 HydrophobicContact CD2-CE2 4.34Å; F382-H386 PolarHBondContact O-N 3.41Å
383I44.6Very low40.4Very low104 Ų104139.8 Ų139.853%0.53373%0.734SS.*Hα-helixtrans-82.6-27.3-179.9-61.7174.8000111.8L379L379-I383 HydrophobicContact CD2-CD1 4.32Å; L379-I383 WeakPolarHBondContact O-CD1 3.39Å; L379-I383 WeakPolarHBondContact O-CG1 3.5Å
384A43.6Very low41.1Very low74 Ų74138.3 Ų138.361%0.61273%0.732SS**Hα-helixtrans-79.3-22.317500000113.7
385A46.6Very low41.9Very low62 Ų62138.9 Ų138.951%0.51273%0.725SS.*Hα-helixtrans-92-19.1179.500000114
386H45.7Very low42.5Very low136 Ų136141.3 Ų141.363%0.6373%0.727SS**THydrogen-bonded Turntrans-89.4-7.9179-90.762.3000114.9F382F382-H386 PolarHBondContact O-N 3.41Å
387N47.3Very low42.7Very low137 Ų137136.2 Ų136.273%0.73372%0.72SS**THydrogen-bonded Turntrans-102.111.4176-77.4-18.3000114.1
388M45.5Very low42.9Very low170 Ų170134.1 Ų134.184%0.83771%0.709SS**SBendtrans-112.310.1173-75.1-170.681.300114
389V39Very low43.5Very low122 Ų122133.9 Ų133.974%0.73971%0.709SS**  trans-140.978.2169.7-173.60000108.2
390L46.8Very low43.9Very low241 Ų241135.4 Ų135.4100%1.26272%0.717SS**  trans-173.40150.5-99.7167000110.1

Retrieved 390 of 390 residues in 259 ms (Link to these results)

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