A0A077Z7B3_TRITR Loading...

Pyridoxal deC domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7B3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 487 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
1M50.5Low77.3Confident201 Ų201108.7 Ų108.799%0.9956%0.557SS**  0-41.80-90.5-175.6-170.100111.4D3 K4 I5M1-D3 PolarHBondContact O-N 2.86Å; M1-K4 PolarHBondContact O-N 2.71Å; M1-I5 PolarHBondContact O-N 3.02Å
2A53.2Low78.9Confident78 Ų78106.2 Ų106.265%0.64555%0.55SS*.Hα-helixtrans-53.1-49.3173.900000112.8K4 I5 D6A2-K4 PolarHBondContact O-N 3.3Å; A2-K4 VanDerWaalsContact O-N 3.16Å; A2-I5 PolarHBondContact O-N 2.6Å; A2-I5 VanDerWaalsContact O-N 3.14Å; A2-D6 PolarHBondContact O-N 3.26Å
3D59.4Low80.2Confident130 Ų130105.7 Ų105.770%0.69555%0.549SS*.Hα-helixtrans-61.2-25.6177-54-16.6000114M1 D6 D7M1-D3 PolarHBondContact O-N 2.86Å; D3-D6 WeakPolarHBondContact O-CB 3.47Å; D3-D6 PolarHBondContact O-N 3.31Å; D3-D7 PolarHBondContact O-N 2.77Å; D3-D7 VanDerWaalsContact O-N 3.12Å
4K62.6Low81.4Confident140 Ų140102.9 Ų102.961%0.60953%0.53SS*.Hα-helixtrans-78.2-27.8179.2-69.4-167.7174.3-170.40113M1 A2 D6 G8M1-K4 PolarHBondContact O-N 2.71Å; A2-K4 PolarHBondContact O-N 3.3Å; A2-K4 VanDerWaalsContact O-N 3.16Å; K4-D6 VanDerWaalsContact C-N 3.25Å; K4-G8 PolarHBondContact O-N 3.18Å
5I68.6Low82.4Confident115 Ų11598 Ų9859%0.5951%0.511SS*.Hα-helixtrans-66.9-36.9172.5-66.4170.7000108.9M1 A2 G8 W9M1-I5 PolarHBondContact O-N 3.02Å; A2-I5 PolarHBondContact O-N 2.6Å; A2-I5 VanDerWaalsContact O-N 3.14Å; I5-G8 PolarHBondContact O-N 3.39Å; I5-W9 PolarHBondContact O-N 3.01Å
6D86.1Confident83.2Confident111 Ų11198.4 Ų98.459%0.59451%0.505SS*.Hα-helixtrans-65.1-45.8175.5-167.741.6000111.9A2 D3 K4 G8 W9 R10A2-D6 PolarHBondContact O-N 3.26Å; D3-D6 WeakPolarHBondContact O-CB 3.47Å; D3-D6 PolarHBondContact O-N 3.31Å; K4-D6 VanDerWaalsContact C-N 3.25Å; D6-G8 VanDerWaalsContact C-N 3.26Å; D6-G8 PolarHBondContact O-N 2.98Å; D6-W9 PolarHBondContact O-N 3.31Å; D6-R10 WeakPolarHBondContact O-CB 3.3Å; D6-R10 PolarHBondContact O-N 3.02Å
7D90.3Very high83.9Confident64 Ų6497.4 Ų97.434%0.34250%0.497SS..Hα-helixtrans-58.9-36.2174.4-81.2-21.9000112.9D3 R10 L11 F57D3-D7 PolarHBondContact O-N 2.77Å; D3-D7 VanDerWaalsContact O-N 3.12Å; D7-R10 PolarHBondContact O-N 3.18Å; D7-R10 IonicContact OD1-NH1 2.63Å; D7-L11 WeakPolarHBondContact O-CB 3.48Å; D7-L11 PolarHBondContact O-N 3.06Å; D7-F57 HydrophobicContact CB-CD2 4.25Å; D7-F57 WeakPolarHBondContact O-CE2 3.49Å
8G93Very high84.6Confident39 Ų3992.8 Ų92.840%0.40247%0.474SS..Hα-helixtrans-61.3-48.917700000112.5K4 I5 D6 L11 V12K4-G8 PolarHBondContact O-N 3.18Å; I5-G8 PolarHBondContact O-N 3.39Å; D6-G8 VanDerWaalsContact C-N 3.26Å; D6-G8 PolarHBondContact O-N 2.98Å; G8-L11 WeakPolarHBondContact O-CB 3.34Å; G8-L11 PolarHBondContact O-N 3.17Å; G8-V12 PolarHBondContact O-N 2.6Å; G8-V12 VanDerWaalsContact O-N 3.11Å
9W94.6Very high85.1Confident164 Ų16490.3 Ų90.362%0.62146%0.461SS*.Hα-helixtrans-69.5-38.6177.3-76.6110.1000112.6I5 D6 L11 V12 D13I5-W9 PolarHBondContact O-N 3.01Å; D6-W9 PolarHBondContact O-N 3.31Å; W9-L11 PolarHBondContact O-N 2.76Å; W9-V12 HydrophobicContact CE3-CB 4.26Å; W9-V12 HydrophobicContact CE3-CG1 4.37Å; W9-V12 HydrophobicContact CE3-CG2 4.27Å; W9-V12 HydrophobicContact CZ3-CG1 4.44Å; W9-V12 WeakPolarHBondContact O-CA 3.28Å; W9-V12 WeakPolarHBondContact O-CB 3.49Å; W9-V12 PolarHBondContact O-N 3.16Å; W9-D13 PolarHBondContact O-N 3.41Å
10R95.9Very high85.5Confident114 Ų11493.6 Ų93.643%0.4347%0.468SS..Hα-helixtrans-58.5-35.6172.2-169.7-172.7161.2-161-6.8111.8D6 D7 K14 F57D6-R10 WeakPolarHBondContact O-CB 3.3Å; D6-R10 PolarHBondContact O-N 3.02Å; D7-R10 PolarHBondContact O-N 3.18Å; D7-R10 IonicContact OD1-NH1 2.63Å; R10-K14 VanDerWaalsContact O-CG 3.32Å; R10-K14 WeakPolarHBondContact O-CG 3.38Å; R10-K14 PolarHBondContact O-N 2.69Å; R10-F57 HydrophobicContact CB-CE2 3.92Å; R10-F57 HydrophobicContact CB-CZ 4.08Å; R10-F57 HydrophobicContact CG-CE1 4.38Å; R10-F57 HydrophobicContact CG-CE2 3.87Å; R10-F57 HydrophobicContact CG-CZ 3.55Å; R10-F57 VanDerWaalsContact CZ-CE1 3.46Å
11L96.5Very high85.8Confident40 Ų4094.8 Ų94.821%0.20947%0.472CS..Hα-helixtrans-70.7-37.3174.5-173.464.6000112D7 G8 W9 D13 K14 A15 F57 L60 V61D7-L11 WeakPolarHBondContact O-CB 3.48Å; D7-L11 PolarHBondContact O-N 3.06Å; G8-L11 WeakPolarHBondContact O-CB 3.34Å; G8-L11 PolarHBondContact O-N 3.17Å; W9-L11 PolarHBondContact O-N 2.76Å; L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 2.88Å; L11-K14 PolarHBondContact O-N 3.38Å; L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 3.12Å; L11-F57 HydrophobicContact CB-CE2 4.01Å; L11-F57 HydrophobicContact CD1-CE2 4.5Å; L11-L60 HydrophobicContact CD1-CB 4Å; L11-L60 HydrophobicContact CD2-CB 4.08Å; L11-L60 HydrophobicContact CD2-CD1 4.23Å; L11-V61 HydrophobicContact CD1-CG2 3.94Å
12V96.1Very high87.8Confident78 Ų7886.7 Ų86.747%0.47343%0.432SS..Hα-helixtrans-58.2-46.9172.9171.90000110.6G8 W9 K14 A15 Y16G8-V12 PolarHBondContact O-N 2.6Å; G8-V12 VanDerWaalsContact O-N 3.11Å; W9-V12 HydrophobicContact CE3-CB 4.26Å; W9-V12 HydrophobicContact CE3-CG1 4.37Å; W9-V12 HydrophobicContact CE3-CG2 4.27Å; W9-V12 HydrophobicContact CZ3-CG1 4.44Å; W9-V12 WeakPolarHBondContact O-CA 3.28Å; W9-V12 WeakPolarHBondContact O-CB 3.49Å; W9-V12 PolarHBondContact O-N 3.16Å; V12-K14 PolarHBondContact O-N 2.87Å; V12-A15 PolarHBondContact O-N 3.17Å; V12-Y16 PolarHBondContact O-N 3.16Å
13D95.5Very high89.7Confident100 Ų10085.7 Ų85.754%0.53542%0.416SS..Hα-helixtrans-61.1-45.6176.7-69.8-23.8000111.4W9 L11 A15 Y16 E17W9-D13 PolarHBondContact O-N 3.41Å; L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 2.88Å; D13-A15 PolarHBondContact O-N 3.3Å; D13-Y16 PolarHBondContact O-N 3.21Å; D13-E17 WeakPolarHBondContact O-CG 3.5Å; D13-E17 PolarHBondContact O-N 3.11Å
14K96.8Very high90.9Very high67 Ų6782.4 Ų82.429%0.29140%0.4SS..Hα-helixtrans-62.6-40.8176.9-73.3-70.6158.7-1530112.7R10 L11 V12 Y16 E17 L18 F57 V61R10-K14 VanDerWaalsContact O-CG 3.32Å; R10-K14 WeakPolarHBondContact O-CG 3.38Å; R10-K14 PolarHBondContact O-N 2.69Å; L11-K14 PolarHBondContact O-N 3.38Å; V12-K14 PolarHBondContact O-N 2.87Å; K14-Y16 VanDerWaalsContact C-N 3.32Å; K14-Y16 PolarHBondContact O-N 3.49Å; K14-E17 WeakPolarHBondContact CD-OE2 3.5Å; K14-E17 IonicContact NZ-OE1 2.68Å; K14-E17 PolarHBondContact NZ-OE1 2.77Å; K14-E17 IonicContact NZ-OE2 3.93Å; K14-E17 PolarHBondContact NZ-OE2 3.25Å; K14-E17 WeakPolarHBondContact O-CB 3.25Å; K14-E17 PolarHBondContact O-N 2.91Å; K14-L18 VanDerWaalsContact O-CG 3.31Å; K14-L18 WeakPolarHBondContact O-CG 3.45Å; K14-L18 PolarHBondContact O-N 3.28Å; K14-F57 HydrophobicContact CG-CE1 4.3Å; K14-F57 HydrophobicContact CG-CZ 3.98Å; K14-V61 HydrophobicContact CB-CG2 4.12Å; K14-V61 HydrophobicContact CG-CG2 4.16Å
15A96.5Very high91.7Very high29 Ų2979.1 Ų79.124%0.2439%0.386CS..Hα-helixtrans-62.3-41.9175.700000111.1L11 V12 D13 L18 I19L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 3.12Å; V12-A15 PolarHBondContact O-N 3.17Å; D13-A15 PolarHBondContact O-N 3.3Å; A15-L18 PolarHBondContact O-N 3.3Å; A15-I19 VanDerWaalsContact O-CG1 3.27Å; A15-I19 WeakPolarHBondContact O-CG1 3.41Å; A15-I19 PolarHBondContact O-N 3Å
16Y95.2Very high92.3Very high104 Ų10478.9 Ų78.941%0.40839%0.386SS..Hα-helixtrans-65.2-40.9175.7-177.4-108.3000112.6V12 D13 K14 I19 R20 F96V12-Y16 PolarHBondContact O-N 3.16Å; D13-Y16 PolarHBondContact O-N 3.21Å; K14-Y16 VanDerWaalsContact C-N 3.32Å; K14-Y16 PolarHBondContact O-N 3.49Å; Y16-I19 PolarHBondContact O-N 3.24Å; Y16-R20 HydrophobicContact CE1-CG 4.21Å; Y16-R20 HydrophobicContact CE2-CG 4.4Å; Y16-R20 WeakPolarHBondContact O-CG 3.08Å; Y16-R20 PolarHBondContact O-N 3.43Å; Y16-F96 AromaticContact CD2-CE2 3.97Å; Y16-F96 HydrophobicContact CD2-CE2 3.97Å; Y16-F96 HydrophobicContact CD2-CZ 4.22Å; Y16-F96 HydrophobicContact CE2-CD2 4.48Å; Y16-F96 AromaticContact CE2-CE2 3.8Å; Y16-F96 HydrophobicContact CE2-CE2 3.8Å; Y16-F96 HydrophobicContact CE2-CZ 4.43Å
17E95.9Very high92.1Very high82 Ų8278.4 Ų78.438%0.38338%0.38SS..Hα-helixtrans-57.5-48.6171.9-73.2176.1-170.600111.6D13 K14 I19 R20 Q21D13-E17 WeakPolarHBondContact O-CG 3.5Å; D13-E17 PolarHBondContact O-N 3.11Å; K14-E17 WeakPolarHBondContact CD-OE2 3.5Å; K14-E17 IonicContact NZ-OE1 2.68Å; K14-E17 PolarHBondContact NZ-OE1 2.77Å; K14-E17 IonicContact NZ-OE2 3.93Å; K14-E17 PolarHBondContact NZ-OE2 3.25Å; K14-E17 WeakPolarHBondContact O-CB 3.25Å; K14-E17 PolarHBondContact O-N 2.91Å; E17-I19 PolarHBondContact O-N 3.03Å; E17-R20 PolarHBondContact O-N 2.9Å; E17-Q21 WeakPolarHBondContact O-CB 3.35Å; E17-Q21 VanDerWaalsContact O-CG 3.3Å; E17-Q21 WeakPolarHBondContact O-CG 3.1Å; E17-Q21 PolarHBondContact O-N 2.89Å
18L96.4Very high92Very high15 Ų1576.2 Ų76.28%0.07937%0.368CS..Hα-helixtrans-60.2-44178-71.5170.8000111.8K14 A15 R20 Q21 M22 V61 C64 E65 I68K14-L18 VanDerWaalsContact O-CG 3.31Å; K14-L18 WeakPolarHBondContact O-CG 3.45Å; K14-L18 PolarHBondContact O-N 3.28Å; A15-L18 PolarHBondContact O-N 3.3Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.82Å; L18-Q21 PolarHBondContact O-N 3.45Å; L18-M22 HydrophobicContact CB-SD 4.43Å; L18-M22 HydrophobicContact CD2-SD 4.11Å; L18-M22 VanDerWaalsContact O-CB 3.3Å; L18-M22 WeakPolarHBondContact O-CB 3.48Å; L18-M22 WeakPolarHBondContact O-CG 3.48Å; L18-M22 PolarHBondContact O-N 3.01Å; L18-V61 HydrophobicContact CD1-CG1 4.32Å; L18-C64 HydrophobicContact CD1-CB 3.75Å; L18-E65 HydrophobicContact CD1-CB 4.16Å; L18-E65 HydrophobicContact CD2-CB 4.07Å; L18-E65 HydrophobicContact CD2-CG 4.09Å; L18-I68 HydrophobicContact CB-CD1 3.82Å
19I94.2Very high91.6Very high44 Ų4478 Ų7823%0.22636%0.362CS..Hα-helixtrans-58.1-46.1175.1-69.7165000110.4A15 Y16 E17 Q21 M22 L23 I68 F96A15-I19 VanDerWaalsContact O-CG1 3.27Å; A15-I19 WeakPolarHBondContact O-CG1 3.41Å; A15-I19 PolarHBondContact O-N 3Å; Y16-I19 PolarHBondContact O-N 3.24Å; E17-I19 PolarHBondContact O-N 3.03Å; I19-Q21 VanDerWaalsContact C-N 3.3Å; I19-Q21 PolarHBondContact O-N 3.01Å; I19-M22 PolarHBondContact O-N 3.46Å; I19-L23 HydrophobicContact CG1-CD1 4.31Å; I19-L23 HydrophobicContact CG2-CB 4.33Å; I19-L23 HydrophobicContact CG2-CD1 4.35Å; I19-L23 WeakPolarHBondContact O-CA 3.18Å; I19-L23 WeakPolarHBondContact O-CB 3.35Å; I19-L23 PolarHBondContact O-N 2.76Å; I19-I68 HydrophobicContact CG1-CD1 4.23Å; I19-F96 HydrophobicContact CD1-CZ 4.31Å
20R92.3Very high91.3Very high157 Ų15774.8 Ų74.859%0.59237%0.365SS*.Hα-helixtrans-66.8-30.5178.5-71.8-174.468.6152.9-0.8113.3Y16 E17 L18 T24Y16-R20 HydrophobicContact CE1-CG 4.21Å; Y16-R20 HydrophobicContact CE2-CG 4.4Å; Y16-R20 WeakPolarHBondContact O-CG 3.08Å; Y16-R20 PolarHBondContact O-N 3.43Å; E17-R20 PolarHBondContact O-N 2.9Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.82Å; R20-T24 WeakPolarHBondContact O-CG2 3.36Å
21Q92.5Very high91.1Very high119 Ų11970.4 Ų70.456%0.55636%0.355SS*.Hα-helixtrans-81.5-33.1179.6-72.3173.8700112.8E17 L18 I19 Q27E17-Q21 WeakPolarHBondContact O-CB 3.35Å; E17-Q21 VanDerWaalsContact O-CG 3.3Å; E17-Q21 WeakPolarHBondContact O-CG 3.1Å; E17-Q21 PolarHBondContact O-N 2.89Å; L18-Q21 PolarHBondContact O-N 3.45Å; I19-Q21 VanDerWaalsContact C-N 3.3Å; I19-Q21 PolarHBondContact O-N 3.01Å; Q21-Q27 VanDerWaalsContact O-CG 3.29Å; Q21-Q27 WeakPolarHBondContact O-CG 3.21Å
22M93.2Very high91.1Very high31 Ų3170.4 Ų70.415%0.15336%0.358CS..Hα-helixtrans-112.7-22.8-167.6-58.8175.776.900113.8L18 I19 E65 I68 R69L18-M22 HydrophobicContact CB-SD 4.43Å; L18-M22 HydrophobicContact CD2-SD 4.11Å; L18-M22 VanDerWaalsContact O-CB 3.3Å; L18-M22 WeakPolarHBondContact O-CB 3.48Å; L18-M22 WeakPolarHBondContact O-CG 3.48Å; L18-M22 PolarHBondContact O-N 3.01Å; I19-M22 PolarHBondContact O-N 3.46Å; M22-E65 HydrophobicContact CE-CG 3.96Å; M22-E65 HydrophobicContact SD-CG 3.87Å; M22-I68 HydrophobicContact CB-CG2 3.69Å; M22-I68 HydrophobicContact CE-CB 4.14Å; M22-I68 HydrophobicContact CE-CG2 3.87Å; M22-I68 HydrophobicContact CG-CG2 4.43Å; M22-I68 HydrophobicContact SD-CB 4.13Å; M22-I68 HydrophobicContact SD-CD1 4.43Å; M22-I68 HydrophobicContact SD-CG2 3.87Å; M22-R69 HydrophobicContact CE-CB 3.9Å
23L91.3Very high91.1Very high57 Ų5766.7 Ų66.730%0.29834%0.335SS..SBendtrans-117.912.5-172.7-63.4175.7000113.6I19 Q28 I68I19-L23 HydrophobicContact CG1-CD1 4.31Å; I19-L23 HydrophobicContact CG2-CB 4.33Å; I19-L23 HydrophobicContact CG2-CD1 4.35Å; I19-L23 WeakPolarHBondContact O-CA 3.18Å; I19-L23 WeakPolarHBondContact O-CB 3.35Å; I19-L23 PolarHBondContact O-N 2.76Å; L23-Q28 HydrophobicContact CD2-CG 4.25Å; L23-Q28 PolarHBondContact O-NE2 3.44Å; L23-I68 HydrophobicContact CD1-CG1 4.46Å; L23-I68 HydrophobicContact CD1-CG2 3.94Å; L23-I68 HydrophobicContact CD2-CG2 3.88Å; L23-I68 HydrophobicContact CG-CG2 3.72Å
24T85.4Confident91.2Very high60 Ų6063 Ų6337%0.36832%0.315SS..SBendtrans-64.7155.3164.452.50000110.2R20 D26 Q27 Q28R20-T24 WeakPolarHBondContact O-CG2 3.36Å; T24-D26 VanDerWaalsContact C-N 3.31Å; T24-D26 PolarHBondContact O-N 3.5Å; T24-Q27 PolarHBondContact O-N 2.96Å; T24-Q27 WeakPolarHBondContact OG1-CB 3.37Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.45Å; T24-Q28 WeakPolarHBondContact O-CG 3.23Å; T24-Q28 PolarHBondContact O-N 3.33Å
25F78.7Confident91.2Very high72 Ų7264.3 Ų64.332%0.31632%0.318SS..Hα-helixtrans-58.6-42.8-175.9-175.6-135.5000112.9Q27 Q28 R29 G75 P466F25-Q27 VanDerWaalsContact C-N 3.35Å; F25-Q27 PolarHBondContact O-N 2.89Å; F25-Q28 PolarHBondContact O-N 2.79Å; F25-R29 HydrophobicContact CD2-CG 4.25Å; F25-R29 VanDerWaalsContact CE1-NH1 3.27Å; F25-R29 HydrophobicContact CE2-CG 4.11Å; F25-R29 HydrophobicContact CZ-CG 4.46Å; F25-R29 WeakPolarHBondContact O-CB 3.42Å; F25-R29 VanDerWaalsContact O-CG 3.22Å; F25-R29 WeakPolarHBondContact O-CG 3.47Å; F25-R29 PolarHBondContact O-N 3.49Å; F25-G75 WeakPolarHBondContact CD2-O 3.15Å; F25-G75 WeakPolarHBondContact CE2-O 3.42Å; F25-P466 HydrophobicContact CD2-CB 4.04Å; F25-P466 HydrophobicContact CE2-CB 3.22Å; F25-P466 HydrophobicContact CE2-CG 4.1Å; F25-P466 HydrophobicContact CZ-CB 3.73Å
26D82.1Confident91.2Very high110 Ų11066.5 Ų66.559%0.58832%0.322SS*.Hα-helixtrans-66.9-36.1178.5-63.4-33.7000112.5T24 R29 S30T24-D26 VanDerWaalsContact C-N 3.31Å; T24-D26 PolarHBondContact O-N 3.5Å; D26-R29 PolarHBondContact O-N 3.22Å; D26-S30 PolarHBondContact O-N 3.49Å; D26-S30 PolarHBondContact O-OG 3.38Å; D26-S30 VanDerWaalsContact O-OG 3.11Å
27Q82.3Confident91.3Very high100 Ų10065.2 Ų65.247%0.46732%0.32SS..Hα-helixtrans-68.1-45.4176.2-67.6-67.4-2600111.1Q21 T24 F25 R29 S30 G31Q21-Q27 VanDerWaalsContact O-CG 3.29Å; Q21-Q27 WeakPolarHBondContact O-CG 3.21Å; T24-Q27 PolarHBondContact O-N 2.96Å; T24-Q27 WeakPolarHBondContact OG1-CB 3.37Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.45Å; F25-Q27 VanDerWaalsContact C-N 3.35Å; F25-Q27 PolarHBondContact O-N 2.89Å; Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 3.08Å; Q27-S30 PolarHBondContact O-N 3.48Å; Q27-S30 PolarHBondContact O-OG 3.41Å; Q27-S30 VanDerWaalsContact O-OG 3.12Å; Q27-G31 PolarHBondContact O-N 2.94Å
28Q87.3Confident91.4Very high19 Ų1967.1 Ų67.19%0.08933%0.329CS..Hα-helixtrans-63.1-33.5174.1-68-1727600111.9L23 T24 F25 H73 H76L23-Q28 HydrophobicContact CD2-CG 4.25Å; L23-Q28 PolarHBondContact O-NE2 3.44Å; T24-Q28 WeakPolarHBondContact O-CG 3.23Å; T24-Q28 PolarHBondContact O-N 3.33Å; F25-Q28 PolarHBondContact O-N 2.79Å; Q28-H73 HydrophobicContact CB-CB 4.41Å; Q28-H73 HydrophobicContact CG-CB 4.1Å; Q28-H73 VanDerWaalsContact OE1-C 3.25Å; Q28-H76 PolarHBondContact O-CD2 2.89Å
29R86.1Confident91.4Very high75 Ų7570.2 Ų70.228%0.28335%0.35SS..Hα-helixtrans-69.6-30.6178.8-83.6173.2154.7-177.1-2.1115F25 D26 Q27 P77 E472F25-R29 HydrophobicContact CD2-CG 4.25Å; F25-R29 VanDerWaalsContact CE1-NH1 3.27Å; F25-R29 HydrophobicContact CE2-CG 4.11Å; F25-R29 HydrophobicContact CZ-CG 4.46Å; F25-R29 WeakPolarHBondContact O-CB 3.42Å; F25-R29 VanDerWaalsContact O-CG 3.22Å; F25-R29 WeakPolarHBondContact O-CG 3.47Å; F25-R29 PolarHBondContact O-N 3.49Å; D26-R29 PolarHBondContact O-N 3.22Å; Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 3.08Å; R29-P77 HydrophobicContact CG-CG 4.09Å; R29-E472 IonicContact CZ-OE1 3.77Å; R29-E472 IonicContact NE-OE1 2.81Å; R29-E472 PolarHBondContact NE-OE1 3.29Å; R29-E472 VanDerWaalsContact NE-OE1 3.13Å; R29-E472 IonicContact NH2-OE1 2.71Å; R29-E472 PolarHBondContact NH2-OE1 2.96Å; R29-E472 IonicContact NH2-OE2 2.86Å; R29-E472 PolarHBondContact NH2-OE2 2.86Å; R29-E472 VanDerWaalsContact NH2-OE2 3.12Å
30S87.3Confident91.6Very high97 Ų9774.3 Ų74.368%0.67837%0.368SS*.Hα-helixtrans-91.5-19-174.9550000113.5D26 Q27D26-S30 PolarHBondContact O-N 3.49Å; D26-S30 PolarHBondContact O-OG 3.38Å; D26-S30 VanDerWaalsContact O-OG 3.11Å; Q27-S30 PolarHBondContact O-N 3.48Å; Q27-S30 PolarHBondContact O-OG 3.41Å; Q27-S30 VanDerWaalsContact O-OG 3.12Å
31G91.7Very high91.8Very high22 Ų2270.7 Ų70.723%0.22736%0.357CS..SBendtrans-95175.917700000113.6Q27 H76Q27-G31 PolarHBondContact O-N 2.94Å; G31-H76 PolarHBondContact O-CD2 2.64Å; G31-H76 PolarHBondContact O-NE2 2.83Å
32P95.9Very high92Very high40 Ų4067.3 Ų67.326%0.2634%0.343SS..  trans-68.4146.7170.430.4-34.8000110.9I34 R35 G440P32-I34 PolarHBondContact O-N 3.19Å; P32-R35 HydrophobicContact CG-CG 3.71Å; P32-G440 CarbonylContact C-O 3.55Å; P32-G440 VanDerWaalsContact CA-O 3.25Å; P32-G440 WeakPolarHBondContact CA-O 3.33Å; P32-G440 WeakPolarHBondContact CB-O 3.11Å
33V96.3Very high92.1Very high0 Ų070 Ų700%035%0.353CS..SBendtrans-60.5-27.8174.363.60000112.4V72 H73 H76 F79 G440 M443V33-V72 HydrophobicContact CG2-CG1 4.46Å; V33-H73 PolarHBondContact O-N 2.95Å; V33-H76 HydrophobicContact CB-CB 4.15Å; V33-H76 HydrophobicContact CG2-CB 3.97Å; V33-F79 HydrophobicContact CG2-CB 3.74Å; V33-F79 HydrophobicContact CG2-CD2 4.16Å; V33-F79 HydrophobicContact CG2-CG 4.41Å; V33-G440 WeakPolarHBondContact CG1-O 3.37Å; V33-G440 PolarHBondContact N-O 3.36Å; V33-M443 HydrophobicContact CG1-CB 4.32Å; V33-M443 HydrophobicContact CG1-CG 3.66Å; V33-M443 HydrophobicContact CG1-SD 4.31Å; V33-M443 HydrophobicContact CG2-CB 4.26Å; V33-M443 HydrophobicContact CG2-CG 4.06Å; V33-M443 HydrophobicContact CG2-SD 4.07Å
34I97.2Very high92.2Very high22 Ų2273.6 Ų73.611%0.11337%0.368CS..  trans-153.9140.7171.7-169.2-175.8000108.6P32 F36 V72 V437 G440 M443P32-I34 PolarHBondContact O-N 3.19Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 HydrophobicContact CD1-CB 4.45Å; I34-F36 HydrophobicContact CD1-CD2 4.27Å; I34-F36 HydrophobicContact CG2-CB 4.16Å; I34-F36 PolarHBondContact O-N 3.41Å; I34-V72 HydrophobicContact CB-CG2 4.33Å; I34-V72 HydrophobicContact CD1-CG2 3.72Å; I34-V72 HydrophobicContact CG1-CG2 4.06Å; I34-V437 HydrophobicContact CG2-CG1 4.36Å; I34-G440 VanDerWaalsContact O-CA 3.3Å; I34-G440 WeakPolarHBondContact O-CA 3.48Å; I34-M443 HydrophobicContact CB-SD 4.07Å; I34-M443 HydrophobicContact CG2-CG 4.31Å; I34-M443 HydrophobicContact CG2-SD 3.88Å
35R96.8Very high92.6Very high96 Ų9672.9 Ų72.936%0.36236%0.362SS..  trans-87.979.8162.2-66.1-179.2-176.777.84.4107.7P32 E37 R69 Y70P32-R35 HydrophobicContact CG-CG 3.71Å; R35-E37 PolarHBondContact O-N 3.14Å; R35-R69 PolarHBondContact NH1-O 3.41Å; R35-Y70 HydrophobicContact CB-CD1 4.01Å; R35-Y70 HydrophobicContact CB-CE1 4.36Å
36F97.3Very high93.3Very high74 Ų7471.7 Ų71.733%0.32536%0.359SS..  trans-63.7124.4-173.5-178.9-91.2000110.6I34 V437 T438I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 HydrophobicContact CD1-CB 4.45Å; I34-F36 HydrophobicContact CD1-CD2 4.27Å; I34-F36 HydrophobicContact CG2-CB 4.16Å; I34-F36 PolarHBondContact O-N 3.41Å; F36-V437 HydrophobicContact CD2-CG1 3.86Å; F36-V437 HydrophobicContact CE2-CG1 4.42Å; F36-V437 HydrophobicContact CG-CG1 4.34Å; F36-T438 HydrophobicContact CD1-CG2 4.05Å; F36-T438 HydrophobicContact CE1-CG2 4.24Å
37E97.5Very high93.7Very high77 Ų7769 Ų6936%0.3634%0.344SS..  trans-128.5146.9173.8-69.1-64.7171.600109.4R35 K41 L42 L45 Y70R35-E37 PolarHBondContact O-N 3.14Å; E37-K41 WeakPolarHBondContact OE2-CG 3.31Å; E37-L42 HydrophobicContact CB-CB 4.13Å; E37-L42 HydrophobicContact CB-CD1 4.47Å; E37-L45 HydrophobicContact CG-CD1 3.85Å; E37-Y70 HydrophobicContact CG-CD1 4.2Å; E37-Y70 HydrophobicContact CG-CE1 4.14Å
38Q97.1Very high94.3Very high122 Ų12268.8 Ų68.857%0.5735%0.346SS*.  trans-66.2149.5173.3-68.8-65.3-15.500110.2E40 K41 L42Q38-E40 VanDerWaalsContact C-N 3.3Å; Q38-E40 PolarHBondContact O-N 3.41Å; Q38-E40 VanDerWaalsContact O-N 3.14Å; Q38-K41 PolarHBondContact O-N 2.6Å; Q38-L42 PolarHBondContact O-N 2.83Å
39P97.9Very high94.6Very high81 Ų8171.6 Ų71.653%0.52637%0.368SS..Hα-helixtrans-50.4-44.3-174.5-30.835.9000114.5K41 L42 K43P39-K41 PolarHBondContact O-N 2.99Å; P39-L42 PolarHBondContact O-N 2.95Å; P39-K43 WeakPolarHBondContact O-CG 3.43Å; P39-K43 PolarHBondContact O-N 3.44Å
40E97Very high95.1Very high129 Ų12976.5 Ų76.560%0.60340%0.398SS*.Hα-helixtrans-65.3-38.9179.4-59.8-48.4134.400112.8Q38 K43 E44Q38-E40 VanDerWaalsContact C-N 3.3Å; Q38-E40 PolarHBondContact O-N 3.41Å; Q38-E40 VanDerWaalsContact O-N 3.14Å; E40-K43 IonicContact OE1-NZ 2.79Å; E40-K43 PolarHBondContact OE1-NZ 2.8Å; E40-K43 IonicContact OE2-NZ 2.87Å; E40-K43 PolarHBondContact OE2-NZ 3.17Å; E40-E44 PolarHBondContact O-N 3.29Å
41K96.3Very high95.4Very high81 Ų8177.7 Ų77.735%0.35239%0.388SS..Hα-helixtrans-69.4-40.1175.7-174.858.4-174.11740111.4E37 Q38 P39 K43 E44 L45E37-K41 WeakPolarHBondContact OE2-CG 3.31Å; Q38-K41 PolarHBondContact O-N 2.6Å; P39-K41 PolarHBondContact O-N 2.99Å; K41-K43 VanDerWaalsContact C-N 3.35Å; K41-K43 PolarHBondContact O-N 3.05Å; K41-E44 WeakPolarHBondContact CD-OE2 3.24Å; K41-E44 IonicContact NZ-OE1 3.39Å; K41-E44 PolarHBondContact NZ-OE1 3.05Å; K41-E44 IonicContact NZ-OE2 2.68Å; K41-E44 PolarHBondContact NZ-OE2 3.44Å; K41-E44 WeakPolarHBondContact O-CB 3.28Å; K41-E44 PolarHBondContact O-N 3.12Å; K41-L45 HydrophobicContact CD-CD1 4.47Å; K41-L45 HydrophobicContact CD-CG 4.46Å; K41-L45 HydrophobicContact CG-CD1 3.92Å; K41-L45 HydrophobicContact CG-CG 4.4Å; K41-L45 VanDerWaalsContact O-CG 3.28Å; K41-L45 WeakPolarHBondContact O-CG 3.32Å; K41-L45 PolarHBondContact O-N 2.8Å
42L96.6Very high95.6Very high49 Ų4984 Ų8426%0.25742%0.422SS..Hα-helixtrans-65.5-38.1178-172.261.4000111.9E37 Q38 P39 E44 L45 L46 Y70E37-L42 HydrophobicContact CB-CB 4.13Å; E37-L42 HydrophobicContact CB-CD1 4.47Å; Q38-L42 PolarHBondContact O-N 2.83Å; P39-L42 PolarHBondContact O-N 2.95Å; L42-E44 VanDerWaalsContact C-N 3.32Å; L42-E44 PolarHBondContact O-N 3.31Å; L42-L45 PolarHBondContact O-N 3.35Å; L42-L46 HydrophobicContact CD1-CD1 3.86Å; L42-L46 HydrophobicContact CD1-CD2 4.38Å; L42-L46 HydrophobicContact CD1-CG 3.84Å; L42-L46 HydrophobicContact CD2-CD1 4.35Å; L42-L46 HydrophobicContact CG-CD1 3.79Å; L42-L46 HydrophobicContact CG-CG 4.12Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 VanDerWaalsContact O-CG 3.31Å; L42-L46 WeakPolarHBondContact O-CG 3.45Å; L42-L46 PolarHBondContact O-N 3.35Å; L42-Y70 HydrophobicContact CD1-CD1 4.2Å; L42-Y70 HydrophobicContact CD1-CD2 4.45Å; L42-Y70 HydrophobicContact CD1-CG 3.86Å
43K96.8Very high95.6Very high87 Ų8785.6 Ų85.638%0.37843%0.434SS..Hα-helixtrans-58.8-42.7173.4-73.8174.1-173167.30112.2P39 E40 K41 D47 I48P39-K43 WeakPolarHBondContact O-CG 3.43Å; P39-K43 PolarHBondContact O-N 3.44Å; E40-K43 IonicContact OE1-NZ 2.79Å; E40-K43 PolarHBondContact OE1-NZ 2.8Å; E40-K43 IonicContact OE2-NZ 2.87Å; E40-K43 PolarHBondContact OE2-NZ 3.17Å; K41-K43 VanDerWaalsContact C-N 3.35Å; K41-K43 PolarHBondContact O-N 3.05Å; K43-D47 PolarHBondContact O-N 3.48Å; K43-D47 VanDerWaalsContact O-N 3.13Å; K43-I48 HydrophobicContact CB-CD1 4.22Å; K43-I48 HydrophobicContact CB-CG1 4.05Å; K43-I48 HydrophobicContact CD-CD1 4.07Å; K43-I48 HydrophobicContact CG-CD1 3.61Å; K43-I48 HydrophobicContact CG-CG1 3.99Å; K43-I48 PolarHBondContact O-N 3.41Å
44E93.1Very high95.4Very high132 Ų13290.6 Ų90.662%0.61747%0.467SS*.Hα-helixtrans-64.3-46.4175.7-171.9-160.9152.900111.1E40 K41 L42 L46 D47E40-E44 PolarHBondContact O-N 3.29Å; K41-E44 WeakPolarHBondContact CD-OE2 3.24Å; K41-E44 IonicContact NZ-OE1 3.39Å; K41-E44 PolarHBondContact NZ-OE1 3.05Å; K41-E44 IonicContact NZ-OE2 2.68Å; K41-E44 PolarHBondContact NZ-OE2 3.44Å; K41-E44 WeakPolarHBondContact O-CB 3.28Å; K41-E44 PolarHBondContact O-N 3.12Å; L42-E44 VanDerWaalsContact C-N 3.32Å; L42-E44 PolarHBondContact O-N 3.31Å; E44-L46 PolarHBondContact O-N 3.43Å; E44-D47 PolarHBondContact O-N 2.99Å
45L92.6Very high95.2Very high46 Ų4692.6 Ų92.624%0.24148%0.476CS..Hα-helixtrans-67.2-33.3-178.4-70.8167.4000113.7E37 K41 L42 N66 Y70E37-L45 HydrophobicContact CG-CD1 3.85Å; K41-L45 HydrophobicContact CD-CD1 4.47Å; K41-L45 HydrophobicContact CD-CG 4.46Å; K41-L45 HydrophobicContact CG-CD1 3.92Å; K41-L45 HydrophobicContact CG-CG 4.4Å; K41-L45 VanDerWaalsContact O-CG 3.28Å; K41-L45 WeakPolarHBondContact O-CG 3.32Å; K41-L45 PolarHBondContact O-N 2.8Å; L42-L45 PolarHBondContact O-N 3.35Å; L45-N66 PolarHBondContact O-ND2 3.06Å; L45-Y70 HydrophobicContact CB-CE2 4.22Å; L45-Y70 HydrophobicContact CD1-CD1 4.46Å; L45-Y70 HydrophobicContact CD1-CE1 3.76Å; L45-Y70 HydrophobicContact CD1-CE2 4.4Å
46L94.3Very high95.1Very high47 Ų4792.4 Ų92.425%0.24649%0.485CS..Hα-helixtrans-91.9-9.7-178.8-65.2-175.9000113.7L42 E44 I48 N66 Y70L42-L46 HydrophobicContact CD1-CD1 3.86Å; L42-L46 HydrophobicContact CD1-CD2 4.38Å; L42-L46 HydrophobicContact CD1-CG 3.84Å; L42-L46 HydrophobicContact CD2-CD1 4.35Å; L42-L46 HydrophobicContact CG-CD1 3.79Å; L42-L46 HydrophobicContact CG-CG 4.12Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 VanDerWaalsContact O-CG 3.31Å; L42-L46 WeakPolarHBondContact O-CG 3.45Å; L42-L46 PolarHBondContact O-N 3.35Å; E44-L46 PolarHBondContact O-N 3.43Å; L46-I48 HydrophobicContact CB-CG2 3.75Å; L46-I48 HydrophobicContact CD1-CG2 4.41Å; L46-I48 PolarHBondContact O-N 2.78Å; L46-N66 HydrophobicContact CD2-CB 3.81Å; L46-Y70 HydrophobicContact CD2-CD2 4.09Å
47D90.9Very high94.9Very high52 Ų5290.1 Ų90.128%0.27848%0.475SS..THydrogen-bonded Turntrans45.556.9-171-173.227.5000112.4K43 E44 S49 R51 H59K43-D47 PolarHBondContact O-N 3.48Å; K43-D47 VanDerWaalsContact O-N 3.13Å; E44-D47 PolarHBondContact O-N 2.99Å; D47-S49 PolarHBondContact O-N 3.39Å; D47-R51 IonicContact OD1-CZ 2.85Å; D47-R51 IonicContact OD1-NH1 2.71Å; D47-R51 IonicContact OD1-NH2 2.99Å; D47-R51 PolarHBondContact OD1-NH2 3.26Å; D47-R51 IonicContact OD2-CZ 2.93Å; D47-R51 VanDerWaalsContact OD2-CZ 3.23Å; D47-R51 IonicContact OD2-NH1 2.65Å; D47-R51 PolarHBondContact OD2-NH1 3.01Å; D47-R51 IonicContact OD2-NH2 3.23Å; D47-R51 PolarHBondContact OD2-NH2 2.92Å; D47-H59 IonicContact OD2-CE1 2.62Å; D47-H59 PolarHBondContact OD2-CE1 2.91Å; D47-H59 IonicContact OD2-NE2 2.8Å
48I94.2Very high94.8Very high97 Ų9792.2 Ų92.250%0.49749%0.489SS..  trans-65.9-3-171.664.1148.8000115K43 L46K43-I48 HydrophobicContact CB-CD1 4.22Å; K43-I48 HydrophobicContact CB-CG1 4.05Å; K43-I48 HydrophobicContact CD-CD1 4.07Å; K43-I48 HydrophobicContact CG-CD1 3.61Å; K43-I48 HydrophobicContact CG-CG1 3.99Å; K43-I48 PolarHBondContact O-N 3.41Å; L46-I48 HydrophobicContact CB-CG2 3.75Å; L46-I48 HydrophobicContact CD1-CG2 4.41Å; L46-I48 PolarHBondContact O-N 2.78Å
49S93.9Very high94.7Very high78 Ų7888.8 Ų88.855%0.54547%0.473SS..  trans-77.7125.1-174.6-63.40000110.6D47D47-S49 PolarHBondContact O-N 3.39Å
50L95.8Very high94.6Very high177 Ų17788 Ų8893%0.92746%0.464SS*.  trans-81.5138.3175.3-58.9177.8000110.7
51R94Very high94.6Very high123 Ų12383.2 Ų83.246%0.46444%0.443SS..  trans-117.6163-179.5-59.8179.5-17790.68.5111.1D47 E55D47-R51 IonicContact OD1-CZ 2.85Å; D47-R51 IonicContact OD1-NH1 2.71Å; D47-R51 IonicContact OD1-NH2 2.99Å; D47-R51 PolarHBondContact OD1-NH2 3.26Å; D47-R51 IonicContact OD2-CZ 2.93Å; D47-R51 VanDerWaalsContact OD2-CZ 3.23Å; D47-R51 IonicContact OD2-NH1 2.65Å; D47-R51 PolarHBondContact OD2-NH1 3.01Å; D47-R51 IonicContact OD2-NH2 3.23Å; D47-R51 PolarHBondContact OD2-NH2 2.92Å; R51-E55 IonicContact CZ-OE1 2.98Å; R51-E55 IonicContact NH1-OE1 3.7Å; R51-E55 PolarHBondContact NH1-OE1 3.38Å
52T96.6Very high94.5Very high155 Ų15581 Ų8195%0.95144%0.44SS*.SBendtrans-79.3-32.7177.552.90000113
53S94.8Very high94.5Very high73 Ų7381.6 Ų81.651%0.5144%0.443SS..SBendtrans-83.2148.4174.952.80000111.1
54P92.6Very high94.4Very high104 Ų10479.1 Ų79.168%0.67544%0.436SS*.PPolyproline II helixtrans-66.7152.7175.330.3-35.7000111.6
55E93.3Very high94.6Very high65 Ų6575.8 Ų75.830%0.30442%0.421SS..PPolyproline II helixtrans-78.5161.2170.5-64.4-60.5165.300111.8R51 H59 L60R51-E55 IonicContact CZ-OE1 2.98Å; R51-E55 IonicContact NH1-OE1 3.7Å; R51-E55 PolarHBondContact NH1-OE1 3.38Å; E55-H59 HydrophobicContact CB-CB 4.45Å; E55-H59 IonicContact OE1-ND1 3.37Å; E55-H59 IonicContact OE2-CE1 3.05Å; E55-H59 IonicContact OE2-CG 2.81Å; E55-H59 IonicContact OE2-ND1 3.99Å; E55-H59 PolarHBondContact OE2-ND1 3.24Å; E55-L60 HydrophobicContact CB-CD2 4Å; E55-L60 HydrophobicContact CB-CG 4.2Å
56T94Very high94.7Very high91 Ų9175.5 Ų75.556%0.55842%0.419SS*.PPolyproline II helixtrans-74153.6170.765.80000110.4D58 H59 L60T56-D58 VanDerWaalsContact C-N 3.29Å; T56-D58 PolarHBondContact O-N 3.36Å; T56-H59 PolarHBondContact O-N 2.97Å; T56-H59 VanDerWaalsContact O-N 3.08Å; T56-H59 WeakPolarHBondContact OG1-CB 3.42Å; T56-H59 PolarHBondContact OG1-N 3.25Å; T56-L60 WeakPolarHBondContact O-CG 3.45Å; T56-L60 PolarHBondContact O-N 3.42Å
57F94.4Very high94.8Very high27 Ų2775.4 Ų75.412%0.11843%0.425CS..Hα-helixtrans-55.1-44.4176.9-177.5-89.9000112.2D7 R10 L11 K14 H59 L60 V61D7-F57 HydrophobicContact CB-CD2 4.25Å; D7-F57 WeakPolarHBondContact O-CE2 3.49Å; R10-F57 HydrophobicContact CB-CE2 3.92Å; R10-F57 HydrophobicContact CB-CZ 4.08Å; R10-F57 HydrophobicContact CG-CE1 4.38Å; R10-F57 HydrophobicContact CG-CE2 3.87Å; R10-F57 HydrophobicContact CG-CZ 3.55Å; R10-F57 VanDerWaalsContact CZ-CE1 3.46Å; L11-F57 HydrophobicContact CB-CE2 4.01Å; L11-F57 HydrophobicContact CD1-CE2 4.5Å; K14-F57 HydrophobicContact CG-CE1 4.3Å; K14-F57 HydrophobicContact CG-CZ 3.98Å; F57-H59 VanDerWaalsContact C-N 3.28Å; F57-H59 PolarHBondContact O-N 2.93Å; F57-L60 WeakPolarHBondContact O-CB 3.27Å; F57-L60 PolarHBondContact O-N 3.09Å; F57-L60 VanDerWaalsContact O-N 3.15Å; F57-V61 HydrophobicContact CD1-CG2 4.06Å; F57-V61 HydrophobicContact CE1-CG2 3.54Å; F57-V61 HydrophobicContact CZ-CG2 3.92Å; F57-V61 WeakPolarHBondContact O-CG2 3.31Å; F57-V61 PolarHBondContact O-N 2.96Å
58D95.5Very high95Very high121 Ų12174.1 Ų74.165%0.64742%0.418SS*.Hα-helixtrans-62.8-36.2178.6-65.8-19.8000112T56 V61 A62T56-D58 VanDerWaalsContact C-N 3.29Å; T56-D58 PolarHBondContact O-N 3.36Å; D58-V61 PolarHBondContact O-N 3.21Å; D58-A62 PolarHBondContact O-N 3.07Å
59H94.9Very high95.1Very high50 Ų5073.8 Ų73.823%0.23141%0.411CS..Hα-helixtrans-69.3-38.7175.3-170.2-155.3000111.6D47 E55 T56 F57 V61 A62 I63D47-H59 IonicContact OD2-CE1 2.62Å; D47-H59 PolarHBondContact OD2-CE1 2.91Å; D47-H59 IonicContact OD2-NE2 2.8Å; E55-H59 HydrophobicContact CB-CB 4.45Å; E55-H59 IonicContact OE1-ND1 3.37Å; E55-H59 IonicContact OE2-CE1 3.05Å; E55-H59 IonicContact OE2-CG 2.81Å; E55-H59 IonicContact OE2-ND1 3.99Å; E55-H59 PolarHBondContact OE2-ND1 3.24Å; T56-H59 PolarHBondContact O-N 2.97Å; T56-H59 VanDerWaalsContact O-N 3.08Å; T56-H59 WeakPolarHBondContact OG1-CB 3.42Å; T56-H59 PolarHBondContact OG1-N 3.25Å; F57-H59 VanDerWaalsContact C-N 3.28Å; F57-H59 PolarHBondContact O-N 2.93Å; H59-V61 VanDerWaalsContact C-N 3.33Å; H59-V61 PolarHBondContact O-N 3.19Å; H59-A62 PolarHBondContact O-N 3.4Å; H59-I63 VanDerWaalsContact O-CG1 3.27Å; H59-I63 WeakPolarHBondContact O-CG1 3.29Å; H59-I63 PolarHBondContact O-N 2.82Å
60L95.1Very high95.2Very high65 Ų6572.1 Ų72.134%0.3439%0.393SS..Hα-helixtrans-59.5-42.4173.1-65173.5000112L11 E55 T56 F57 I63 C64L11-L60 HydrophobicContact CD1-CB 4Å; L11-L60 HydrophobicContact CD2-CB 4.08Å; L11-L60 HydrophobicContact CD2-CD1 4.23Å; E55-L60 HydrophobicContact CB-CD2 4Å; E55-L60 HydrophobicContact CB-CG 4.2Å; T56-L60 WeakPolarHBondContact O-CG 3.45Å; T56-L60 PolarHBondContact O-N 3.42Å; F57-L60 WeakPolarHBondContact O-CB 3.27Å; F57-L60 PolarHBondContact O-N 3.09Å; F57-L60 VanDerWaalsContact O-N 3.15Å; L60-I63 PolarHBondContact O-N 2.94Å; L60-C64 PolarHBondContact O-N 3.41Å; L60-C64 PolarHBondContact O-SG 3.17Å
61V96.2Very high95.2Very high28 Ų2866.8 Ų66.817%0.1737%0.37CS..Hα-helixtrans-62.9-44.7175175.70000111L11 K14 L18 F57 D58 H59 I63 C64 E65L11-V61 HydrophobicContact CD1-CG2 3.94Å; K14-V61 HydrophobicContact CB-CG2 4.12Å; K14-V61 HydrophobicContact CG-CG2 4.16Å; L18-V61 HydrophobicContact CD1-CG1 4.32Å; F57-V61 HydrophobicContact CD1-CG2 4.06Å; F57-V61 HydrophobicContact CE1-CG2 3.54Å; F57-V61 HydrophobicContact CZ-CG2 3.92Å; F57-V61 WeakPolarHBondContact O-CG2 3.31Å; F57-V61 PolarHBondContact O-N 2.96Å; D58-V61 PolarHBondContact O-N 3.21Å; H59-V61 VanDerWaalsContact C-N 3.33Å; H59-V61 PolarHBondContact O-N 3.19Å; V61-I63 VanDerWaalsContact C-N 3.31Å; V61-I63 PolarHBondContact O-N 2.97Å; V61-C64 WeakPolarHBondContact O-CB 3.47Å; V61-C64 PolarHBondContact O-N 3.43Å; V61-E65 PolarHBondContact O-N 3.39Å
62A95.8Very high95.4Very high34 Ų3463.3 Ų63.328%0.28136%0.362SS..Hα-helixtrans-62.1-37176.800000112.4D58 H59 E65 N66D58-A62 PolarHBondContact O-N 3.07Å; H59-A62 PolarHBondContact O-N 3.4Å; A62-E65 PolarHBondContact O-N 2.83Å; A62-N66 VanDerWaalsContact O-CB 3.31Å; A62-N66 WeakPolarHBondContact O-CB 3.2Å; A62-N66 PolarHBondContact O-N 3.47Å
63I95.2Very high95.3Very high61 Ų6156.4 Ų56.431%0.31332%0.319SS..Hα-helixtrans-61.7-47.7173.5-70.7163.1000110.4H59 L60 V61 E65 N66 A67H59-I63 VanDerWaalsContact O-CG1 3.27Å; H59-I63 WeakPolarHBondContact O-CG1 3.29Å; H59-I63 PolarHBondContact O-N 2.82Å; L60-I63 PolarHBondContact O-N 2.94Å; V61-I63 VanDerWaalsContact C-N 3.31Å; V61-I63 PolarHBondContact O-N 2.97Å; I63-E65 PolarHBondContact O-N 2.75Å; I63-N66 PolarHBondContact O-N 3.42Å; I63-A67 VanDerWaalsContact O-CB 3.32Å; I63-A67 WeakPolarHBondContact O-CB 3.12Å; I63-A67 PolarHBondContact O-N 3.39Å
64C95.8Very high95.3Very high36 Ų3654.6 Ų54.624%0.24331%0.305CS..Hα-helixtrans-59.9-45.2176.4-69.10000111.9L18 L60 V61 A67 I68L18-C64 HydrophobicContact CD1-CB 3.75Å; L60-C64 PolarHBondContact O-N 3.41Å; L60-C64 PolarHBondContact O-SG 3.17Å; V61-C64 WeakPolarHBondContact O-CB 3.47Å; V61-C64 PolarHBondContact O-N 3.43Å; C64-A67 PolarHBondContact O-N 2.86Å; C64-I68 WeakPolarHBondContact O-CG1 3.44Å; C64-I68 PolarHBondContact O-N 3.29Å; C64-I68 VanDerWaalsContact O-N 3.12Å
65E96.4Very high95.4Very high62 Ų6249.8 Ų49.829%0.2928%0.275SS..Hα-helixtrans-61.8-47.2178-172.4-175.3169.500111.4L18 M22 V61 A62 I63 A67 I68 R69L18-E65 HydrophobicContact CD1-CB 4.16Å; L18-E65 HydrophobicContact CD2-CB 4.07Å; L18-E65 HydrophobicContact CD2-CG 4.09Å; M22-E65 HydrophobicContact CE-CG 3.96Å; M22-E65 HydrophobicContact SD-CG 3.87Å; V61-E65 PolarHBondContact O-N 3.39Å; A62-E65 PolarHBondContact O-N 2.83Å; I63-E65 PolarHBondContact O-N 2.75Å; E65-A67 PolarHBondContact O-N 3.47Å; E65-I68 PolarHBondContact O-N 3.35Å; E65-R69 VanDerWaalsContact O-CB 3.24Å; E65-R69 WeakPolarHBondContact O-CB 3.47Å; E65-R69 PolarHBondContact O-N 2.93Å; E65-R69 IonicContact OE1-CZ 3.96Å; E65-R69 IonicContact OE1-NE 3.98Å; E65-R69 IonicContact OE1-NH2 3.4Å; E65-R69 PolarHBondContact OE1-NH2 3.45Å
66N96.1Very high95.4Very high40 Ų4047.2 Ų47.221%0.21426%0.263CS..Hα-helixtrans-65.3-39.7179.3-79.8-20.5000112L45 L46 A62 I63 I68 R69 Y70L45-N66 PolarHBondContact O-ND2 3.06Å; L46-N66 HydrophobicContact CD2-CB 3.81Å; A62-N66 VanDerWaalsContact O-CB 3.31Å; A62-N66 WeakPolarHBondContact O-CB 3.2Å; A62-N66 PolarHBondContact O-N 3.47Å; I63-N66 PolarHBondContact O-N 3.42Å; N66-I68 VanDerWaalsContact C-N 3.3Å; N66-I68 PolarHBondContact O-N 2.85Å; N66-R69 PolarHBondContact O-N 3.17Å; N66-Y70 HydrophobicContact CB-CD2 4.28Å; N66-Y70 HydrophobicContact CB-CE2 4.46Å; N66-Y70 VanDerWaalsContact O-CD2 3.31Å; N66-Y70 WeakPolarHBondContact O-CD2 3.08Å; N66-Y70 PolarHBondContact O-N 2.86Å
67A95.9Very high95.4Very high45 Ų4543.1 Ų43.137%0.37224%0.238SC..Hα-helixtrans-56.9-44.3173.700000111.3I63 C64 E65 S71I63-A67 VanDerWaalsContact O-CB 3.32Å; I63-A67 WeakPolarHBondContact O-CB 3.12Å; I63-A67 PolarHBondContact O-N 3.39Å; C64-A67 PolarHBondContact O-N 2.86Å; E65-A67 PolarHBondContact O-N 3.47Å; A67-S71 WeakPolarHBondContact O-CB 3.2Å; A67-S71 PolarHBondContact O-N 2.82Å; A67-S71 VanDerWaalsContact O-N 3.17Å; A67-S71 PolarHBondContact O-OG 3.31Å
68I95.6Very high95.5Very high25 Ų2543.5 Ų43.513%0.12824%0.239CC..Hα-helixtrans-70.1-42.8176.2-64165.8000111.6L18 I19 M22 L23 C64 E65 N66 Y70 S71 H73L18-I68 HydrophobicContact CB-CD1 3.82Å; I19-I68 HydrophobicContact CG1-CD1 4.23Å; M22-I68 HydrophobicContact CB-CG2 3.69Å; M22-I68 HydrophobicContact CE-CB 4.14Å; M22-I68 HydrophobicContact CE-CG2 3.87Å; M22-I68 HydrophobicContact CG-CG2 4.43Å; M22-I68 HydrophobicContact SD-CB 4.13Å; M22-I68 HydrophobicContact SD-CD1 4.43Å; M22-I68 HydrophobicContact SD-CG2 3.87Å; L23-I68 HydrophobicContact CD1-CG1 4.46Å; L23-I68 HydrophobicContact CD1-CG2 3.94Å; L23-I68 HydrophobicContact CD2-CG2 3.88Å; L23-I68 HydrophobicContact CG-CG2 3.72Å; C64-I68 WeakPolarHBondContact O-CG1 3.44Å; C64-I68 PolarHBondContact O-N 3.29Å; C64-I68 VanDerWaalsContact O-N 3.12Å; E65-I68 PolarHBondContact O-N 3.35Å; N66-I68 VanDerWaalsContact C-N 3.3Å; N66-I68 PolarHBondContact O-N 2.85Å; I68-Y70 PolarHBondContact O-N 3.03Å; I68-S71 PolarHBondContact O-N 2.74Å; I68-H73 PolarHBondContact O-NE2 3.43Å
69R95.2Very high95.5Very high90 Ų9037.9 Ų37.934%0.3421%0.208SC..Hα-helixtrans-62.4-41-175.4-178.8-179.1-70.6-146.80.5113.2M22 R35 E65 N66M22-R69 HydrophobicContact CE-CB 3.9Å; R35-R69 PolarHBondContact NH1-O 3.41Å; E65-R69 VanDerWaalsContact O-CB 3.24Å; E65-R69 WeakPolarHBondContact O-CB 3.47Å; E65-R69 PolarHBondContact O-N 2.93Å; E65-R69 IonicContact OE1-CZ 3.96Å; E65-R69 IonicContact OE1-NE 3.98Å; E65-R69 IonicContact OE1-NH2 3.4Å; E65-R69 PolarHBondContact OE1-NH2 3.45Å; N66-R69 PolarHBondContact O-N 3.17Å
70Y96.4Very high95.5Very high43 Ų4335.7 Ų35.717%0.16920%0.198CC..Hα-helixtrans-98.7-6.1-177.1-66-73.7000113.7R35 E37 L42 L45 L46 N66 I68R35-Y70 HydrophobicContact CB-CD1 4.01Å; R35-Y70 HydrophobicContact CB-CE1 4.36Å; E37-Y70 HydrophobicContact CG-CD1 4.2Å; E37-Y70 HydrophobicContact CG-CE1 4.14Å; L42-Y70 HydrophobicContact CD1-CD1 4.2Å; L42-Y70 HydrophobicContact CD1-CD2 4.45Å; L42-Y70 HydrophobicContact CD1-CG 3.86Å; L45-Y70 HydrophobicContact CB-CE2 4.22Å; L45-Y70 HydrophobicContact CD1-CD1 4.46Å; L45-Y70 HydrophobicContact CD1-CE1 3.76Å; L45-Y70 HydrophobicContact CD1-CE2 4.4Å; L46-Y70 HydrophobicContact CD2-CD2 4.09Å; N66-Y70 HydrophobicContact CB-CD2 4.28Å; N66-Y70 HydrophobicContact CB-CE2 4.46Å; N66-Y70 VanDerWaalsContact O-CD2 3.31Å; N66-Y70 WeakPolarHBondContact O-CD2 3.08Å; N66-Y70 PolarHBondContact O-N 2.86Å; I68-Y70 PolarHBondContact O-N 3.03Å
71S96.3Very high95.5Very high64 Ų6434 Ų3445%0.44819%0.189SC..SBendtrans-71.5161.5169.9-75.50000111.9A67 I68 H73A67-S71 WeakPolarHBondContact O-CB 3.2Å; A67-S71 PolarHBondContact O-N 2.82Å; A67-S71 VanDerWaalsContact O-N 3.17Å; A67-S71 PolarHBondContact O-OG 3.31Å; I68-S71 PolarHBondContact O-N 2.74Å; S71-H73 PolarHBondContact O-CD2 3.48Å; S71-H73 VanDerWaalsContact O-CD2 3.29Å; S71-H73 PolarHBondContact O-N 2.98Å
72V96.7Very high95.4Very high50 Ų5035.8 Ų35.830%0.30320%0.196SC..  trans-68.8128.6169.7178.70000109.6V33 I34 T74 F79 M443V33-V72 HydrophobicContact CG2-CG1 4.46Å; I34-V72 HydrophobicContact CB-CG2 4.33Å; I34-V72 HydrophobicContact CD1-CG2 3.72Å; I34-V72 HydrophobicContact CG1-CG2 4.06Å; V72-T74 HydrophobicContact CG1-CG2 4.08Å; V72-T74 PolarHBondContact O-N 3.45Å; V72-F79 HydrophobicContact CG1-CD2 3.54Å; V72-F79 HydrophobicContact CG1-CE2 3.52Å; V72-F79 HydrophobicContact CG1-CG 4.44Å; V72-F79 HydrophobicContact CG1-CZ 4.38Å; V72-M443 HydrophobicContact CB-SD 4.4Å; V72-M443 HydrophobicContact CG1-CE 4.4Å; V72-M443 HydrophobicContact CG1-SD 3.61Å; V72-M443 HydrophobicContact CG2-CE 4.03Å; V72-M443 HydrophobicContact CG2-SD 3.87Å
73H95.5Very high95.3Very high10 Ų1035 Ų355%0.04619%0.187CC..  trans-8684176-73.2-155.8000108.9Q28 V33 I68 S71 G75 H76Q28-H73 HydrophobicContact CB-CB 4.41Å; Q28-H73 HydrophobicContact CG-CB 4.1Å; Q28-H73 VanDerWaalsContact OE1-C 3.25Å; V33-H73 PolarHBondContact O-N 2.95Å; I68-H73 PolarHBondContact O-NE2 3.43Å; S71-H73 PolarHBondContact O-CD2 3.48Å; S71-H73 VanDerWaalsContact O-CD2 3.29Å; S71-H73 PolarHBondContact O-N 2.98Å; H73-G75 PolarHBondContact O-N 3.27Å; H73-H76 HydrophobicContact CB-CB 4.44Å; H73-H76 WeakPolarHBondContact O-CB 3.45Å; H73-H76 PolarHBondContact O-N 2.96Å
74T94.8Very high95.3Very high35 Ų3535.9 Ų35.922%0.21519%0.187CC..THydrogen-bonded Turntrans-67.8-18.2-171.765.60000113.6V72 H76 F79 Y84 G85 G86V72-T74 HydrophobicContact CG1-CG2 4.08Å; V72-T74 PolarHBondContact O-N 3.45Å; T74-H76 VanDerWaalsContact C-N 3.26Å; T74-H76 PolarHBondContact O-N 3.22Å; T74-F79 HydrophobicContact CG2-CD1 4.14Å; T74-F79 HydrophobicContact CG2-CE1 3.72Å; T74-F79 HydrophobicContact CG2-CE2 4.36Å; T74-F79 HydrophobicContact CG2-CZ 3.86Å; T74-F79 WeakPolarHBondContact O-CD1 3.21Å; T74-Y84 HydrophobicContact CG2-CE2 4.17Å; T74-G85 WeakPolarHBondContact CB-O 3.27Å; T74-G85 CarbonylContact O-C 3.5Å; T74-G85 PolarHBondContact OG1-O 3.44Å; T74-G86 WeakPolarHBondContact O-CA 3.29Å; T74-G86 PolarHBondContact O-N 2.95Å
75G93.9Very high95.1Very high4 Ų434.5 Ų34.54%0.04118%0.178CC..THydrogen-bonded Turntrans-78.2-3.3171.300000114.3F25 H73 P466F25-G75 WeakPolarHBondContact CD2-O 3.15Å; F25-G75 WeakPolarHBondContact CE2-O 3.42Å; H73-G75 PolarHBondContact O-N 3.27Å; G75-P466 WeakPolarHBondContact O-CG 3.24Å
76H94.9Very high94.8Very high10 Ų1031.8 Ų31.85%0.04617%0.167CC..SBendtrans-67.7134172.2-171.8-67.8000110.3Q28 G31 V33 H73 T74 Y78 F79Q28-H76 PolarHBondContact O-CD2 2.89Å; G31-H76 PolarHBondContact O-CD2 2.64Å; G31-H76 PolarHBondContact O-NE2 2.83Å; V33-H76 HydrophobicContact CB-CB 4.15Å; V33-H76 HydrophobicContact CG2-CB 3.97Å; H73-H76 HydrophobicContact CB-CB 4.44Å; H73-H76 WeakPolarHBondContact O-CB 3.45Å; H73-H76 PolarHBondContact O-N 2.96Å; T74-H76 VanDerWaalsContact C-N 3.26Å; T74-H76 PolarHBondContact O-N 3.22Å; H76-Y78 AromaticContact CE1-CD2 3.49Å; H76-Y78 VanDerWaalsContact CE1-CD2 3.49Å; H76-Y78 WeakPolarHBondContact CE1-CD2 3.37Å; H76-Y78 AromaticContact CE1-CG 3.67Å; H76-Y78 AromaticContact ND1-CG 3.99Å; H76-Y78 PolarHBondContact ND1-N 3.34Å; H76-Y78 PolarHBondContact O-N 3.25Å; H76-Y78 VanDerWaalsContact O-N 3.13Å; H76-F79 WeakPolarHBondContact O-CB 3.39Å; H76-F79 PolarHBondContact O-N 3.33Å
77P93.4Very high94.5Very high5 Ų533.3 Ų33.33%0.03218%0.178CC..THydrogen-bonded Turntrans-60.9-26.6-176.523.3-34.5000114.1R29 R80 M468R29-P77 HydrophobicContact CG-CG 4.09Å; P77-R80 PolarHBondContact O-NE 3.29Å; P77-R80 VanDerWaalsContact O-NE 3.09Å; P77-R80 PolarHBondContact O-NH2 2.85Å; P77-M468 HydrophobicContact CB-CE 4.15Å
78Y95.6Very high94.4Very high36 Ų3631.2 Ų31.214%0.14116%0.16CC..THydrogen-bonded Turntrans-93.213.1175.7-47.3-26.6000114.8H76 R80 K441 M443 M468 E472 A475 L476H76-Y78 AromaticContact CE1-CD2 3.49Å; H76-Y78 VanDerWaalsContact CE1-CD2 3.49Å; H76-Y78 WeakPolarHBondContact CE1-CD2 3.37Å; H76-Y78 AromaticContact CE1-CG 3.67Å; H76-Y78 AromaticContact ND1-CG 3.99Å; H76-Y78 PolarHBondContact ND1-N 3.34Å; H76-Y78 PolarHBondContact O-N 3.25Å; H76-Y78 VanDerWaalsContact O-N 3.13Å; Y78-R80 PolarHBondContact O-N 3.29Å; Y78-K441 WeakPolarHBondContact CD2-O 3.06Å; Y78-M443 PolarHBondContact O-N 3.01Å; Y78-M468 HydrophobicContact CD1-CE 3.62Å; Y78-M468 HydrophobicContact CE1-CE 3.48Å; Y78-M468 VanDerWaalsContact CE1-CE 3.48Å; Y78-E472 WeakPolarHBondContact CE1-O 3.29Å; Y78-A475 WeakPolarHBondContact OH-CB 3.38Å; Y78-L476 HydrophobicContact CD1-CB 3.99Å; Y78-L476 HydrophobicContact CD1-CD1 3.74Å; Y78-L476 HydrophobicContact CD1-CG 4.35Å; Y78-L476 HydrophobicContact CE1-CB 3.83Å; Y78-L476 HydrophobicContact CE1-CD1 4.36Å; Y78-L476 HydrophobicContact CG-CD1 3.91Å
79F96.4Very high94.3Very high3 Ų333.8 Ų33.81%0.01318%0.179CC..EExtended strand (participates in β ladder)trans-83.2100.3161.9179.8-105.7000109.4V33 V72 T74 H76 Q82 Y84 M443V33-F79 HydrophobicContact CG2-CB 3.74Å; V33-F79 HydrophobicContact CG2-CD2 4.16Å; V33-F79 HydrophobicContact CG2-CG 4.41Å; V72-F79 HydrophobicContact CG1-CD2 3.54Å; V72-F79 HydrophobicContact CG1-CE2 3.52Å; V72-F79 HydrophobicContact CG1-CG 4.44Å; V72-F79 HydrophobicContact CG1-CZ 4.38Å; T74-F79 HydrophobicContact CG2-CD1 4.14Å; T74-F79 HydrophobicContact CG2-CE1 3.72Å; T74-F79 HydrophobicContact CG2-CE2 4.36Å; T74-F79 HydrophobicContact CG2-CZ 3.86Å; T74-F79 WeakPolarHBondContact O-CD1 3.21Å; H76-F79 WeakPolarHBondContact O-CB 3.39Å; H76-F79 PolarHBondContact O-N 3.33Å; F79-Q82 VanDerWaalsContact CE2-OE1 3.23Å; F79-Q82 HydrophobicContact CZ-CB 4.11Å; F79-Q82 HydrophobicContact CZ-CG 4.49Å; F79-Y84 HydrophobicContact CE1-CD2 4.07Å; F79-Y84 AromaticContact CE1-CE2 3.9Å; F79-Y84 HydrophobicContact CE1-CE2 3.9Å; F79-Y84 VanDerWaalsContact CE1-O 3.29Å; F79-Y84 WeakPolarHBondContact CE1-O 3.38Å; F79-Y84 AromaticContact CZ-CE2 3.92Å; F79-Y84 HydrophobicContact CZ-CE2 3.92Å; F79-M443 HydrophobicContact CD2-CB 4.03Å; F79-M443 HydrophobicContact CD2-SD 4.13Å; F79-M443 HydrophobicContact CE2-CE 4.45Å; F79-M443 HydrophobicContact CE2-SD 4.36Å
80R95.3Very high94.4Very high3 Ų334.4 Ų34.41%0.01118%0.182CC..EExtended strand (participates in β ladder)trans-137.822-175.6-59-67.3175.9-119.412.2112.3P77 Y78 M443 V460 T461 P466P77-R80 PolarHBondContact O-NE 3.29Å; P77-R80 VanDerWaalsContact O-NE 3.09Å; P77-R80 PolarHBondContact O-NH2 2.85Å; Y78-R80 PolarHBondContact O-N 3.29Å; R80-M443 CarbonylContact C-O 3.51Å; R80-M443 VanDerWaalsContact C-O 3.31Å; R80-M443 WeakPolarHBondContact CA-O 3.29Å; R80-M443 PolarHBondContact N-O 3.29Å; R80-V460 HydrophobicContact CB-CG1 4.17Å; R80-V460 HydrophobicContact CG-CG1 4.09Å; R80-T461 WeakPolarHBondContact CD-O 3.43Å; R80-P466 PolarHBondContact NH2-O 3.45Å
81N94.2Very high94.5Very high30 Ų3032.3 Ų32.316%0.1617%0.174CC..SBendtrans-85.8-40.5-175.4-179.369.5000112.2M443 I444 A445 R459N81-M443 HydrophobicContact CB-CB 4.01Å; N81-M443 WeakPolarHBondContact CB-O 3.32Å; N81-M443 PolarHBondContact N-O 3.2Å; N81-I444 PolarHBondContact OD1-O 3.01Å; N81-A445 WeakPolarHBondContact O-CB 3.36Å; N81-A445 VanDerWaalsContact OD1-CA 3.27Å; N81-A445 WeakPolarHBondContact OD1-CA 3.33Å; N81-A445 PolarHBondContact OD1-N 3.2Å; N81-R459 PolarHBondContact O-NH2 2.92Å
82Q94.5Very high94.4Very high65 Ų6531.7 Ų31.730%0.30417%0.165SC..SBendtrans-94.6170.9174.8-78.377.4600111.1F79 Y84F79-Q82 VanDerWaalsContact CE2-OE1 3.23Å; F79-Q82 HydrophobicContact CZ-CB 4.11Å; F79-Q82 HydrophobicContact CZ-CG 4.49Å; Q82-Y84 HydrophobicContact CB-CD1 3.65Å; Q82-Y84 HydrophobicContact CB-CE1 3.42Å; Q82-Y84 VanDerWaalsContact CB-CE1 3.42Å; Q82-Y84 HydrophobicContact CB-CE2 4.37Å; Q82-Y84 HydrophobicContact CB-CG 4.22Å; Q82-Y84 HydrophobicContact CG-CD1 4.3Å; Q82-Y84 HydrophobicContact CG-CE1 3.58Å; Q82-Y84 PolarHBondContact O-N 2.96Å
83L94.3Very high94.5Very high19 Ų1931.2 Ų31.210%0.09917%0.167CC..SBendtrans-83.611.6175.4-65.4179.7000113T239 L267 K296 T461L83-T239 HydrophobicContact CD1-CG2 4.14Å; L83-L267 HydrophobicContact CB-CD1 4.35Å; L83-L267 HydrophobicContact CD1-CD1 4.45Å; L83-L267 HydrophobicContact CD1-CD2 4.13Å; L83-L267 HydrophobicContact CD2-CD1 4.12Å; L83-L267 HydrophobicContact CD2-CD2 3.86Å; L83-K296 HydrophobicContact CB-CD 4.15Å; L83-K296 HydrophobicContact CB-CG 4.3Å; L83-K296 HydrophobicContact CD1-CD 4.38Å; L83-K296 CarbonylContact O-C 3.23Å; L83-K296 WeakPolarHBondContact O-CA 3.28Å; L83-K296 VanDerWaalsContact O-CB 3.29Å; L83-K296 WeakPolarHBondContact O-CB 3.49Å; L83-T461 HydrophobicContact CD2-CG2 4Å
84Y94.1Very high94.6Very high79 Ų7930.8 Ų30.831%0.3116%0.164SC..  trans-128.6164.6173.264.1-97.3000108.2T74 F79 Q82 H295 I302T74-Y84 HydrophobicContact CG2-CE2 4.17Å; F79-Y84 HydrophobicContact CE1-CD2 4.07Å; F79-Y84 AromaticContact CE1-CE2 3.9Å; F79-Y84 HydrophobicContact CE1-CE2 3.9Å; F79-Y84 VanDerWaalsContact CE1-O 3.29Å; F79-Y84 WeakPolarHBondContact CE1-O 3.38Å; F79-Y84 AromaticContact CZ-CE2 3.92Å; F79-Y84 HydrophobicContact CZ-CE2 3.92Å; Q82-Y84 HydrophobicContact CB-CD1 3.65Å; Q82-Y84 HydrophobicContact CB-CE1 3.42Å; Q82-Y84 VanDerWaalsContact CB-CE1 3.42Å; Q82-Y84 HydrophobicContact CB-CE2 4.37Å; Q82-Y84 HydrophobicContact CB-CG 4.22Å; Q82-Y84 HydrophobicContact CG-CD1 4.3Å; Q82-Y84 HydrophobicContact CG-CE1 3.58Å; Q82-Y84 PolarHBondContact O-N 2.96Å; Y84-H295 WeakPolarHBondContact CB-O 3.36Å; Y84-I302 HydrophobicContact CD1-CD1 3.79Å; Y84-I302 HydrophobicContact CD2-CD1 4.06Å; Y84-I302 HydrophobicContact CE1-CD1 4Å; Y84-I302 HydrophobicContact CE2-CD1 4.27Å; Y84-I302 HydrophobicContact CG-CD1 3.83Å
85G91.5Very high94.7Very high6 Ų629.9 Ų29.96%0.06216%0.16CC..  trans-130.8-138.8-178.200000112.6T74T74-G85 WeakPolarHBondContact CB-O 3.27Å; T74-G85 CarbonylContact O-C 3.5Å; T74-G85 PolarHBondContact OG1-O 3.44Å
86G90.5Very high94.8Very high6 Ų633.7 Ų33.76%0.06218%0.175CC..SBendtrans-65.7173.7171.900000111.2T74 H465T74-G86 WeakPolarHBondContact O-CA 3.29Å; T74-G86 PolarHBondContact O-N 2.95Å; G86-H465 PolarHBondContact N-O 2.94Å
87V90.5Very high95Very high72 Ų7236.7 Ų36.744%0.43619%0.191SC..PPolyproline II helixtrans-98139176-65.10000110.4L92 P301V87-L92 HydrophobicContact CG2-CB 4.31Å; V87-L92 HydrophobicContact CG2-CD2 4.21Å; V87-P301 HydrophobicContact CB-CG 4.31Å; V87-P301 HydrophobicContact CG1-CB 4.31Å; V87-P301 HydrophobicContact CG1-CG 4.36Å
88D93.7Very high95.2Very high0 Ų036.6 Ų36.60%019%0.19CC..PPolyproline II helixtrans-61.1131.1163.4178.6-96.7000111Y90 G91 L92 G299 M358 Y362 H465D88-Y90 VanDerWaalsContact C-N 3.34Å; D88-Y90 PolarHBondContact O-N 3.4Å; D88-Y90 VanDerWaalsContact OD1-CA 3.28Å; D88-Y90 WeakPolarHBondContact OD1-CA 3.46Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.3Å; D88-Y90 PolarHBondContact OD1-N 2.86Å; D88-G91 PolarHBondContact O-N 3.07Å; D88-G91 PolarHBondContact OD1-N 2.93Å; D88-L92 PolarHBondContact O-N 3.08Å; D88-G299 PolarHBondContact N-O 2.98Å; D88-G299 VanDerWaalsContact N-O 3.14Å; D88-M358 HydrophobicContact CB-CE 3.74Å; D88-M358 HydrophobicContact CB-CG 4.22Å; D88-M358 HydrophobicContact CB-SD 3.91Å; D88-M358 WeakPolarHBondContact OD1-CG 3.19Å; D88-Y362 WeakPolarHBondContact OD2-CE2 3.4Å; D88-Y362 PolarHBondContact OD2-OH 3.11Å; D88-H465 IonicContact OD2-CE1 2.7Å; D88-H465 PolarHBondContact OD2-CE1 3.24Å; D88-H465 IonicContact OD2-ND1 2.57Å; D88-H465 IonicContact OD2-NE2 2.67Å; D88-H465 PolarHBondContact OD2-NE2 3.43Å
89P93.6Very high95.3Very high80 Ų8039.5 Ų39.552%0.51921%0.205SC..Hα-helixtrans-64.9-31.6-178.724.3-34.7000114.1L92 A93P89-L92 PolarHBondContact O-N 3.04Å; P89-A93 PolarHBondContact O-N 2.71Å
90Y96.8Very high95.3Very high102 Ų10243.2 Ų43.240%0.424%0.236SC..Hα-helixtrans-72.4-41.6175.5-54.9-75.7000110.6D88 L92 A93 A94 L357 A361 Y362D88-Y90 VanDerWaalsContact C-N 3.34Å; D88-Y90 PolarHBondContact O-N 3.4Å; D88-Y90 VanDerWaalsContact OD1-CA 3.28Å; D88-Y90 WeakPolarHBondContact OD1-CA 3.46Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.3Å; D88-Y90 PolarHBondContact OD1-N 2.86Å; Y90-L92 VanDerWaalsContact C-N 3.29Å; Y90-L92 PolarHBondContact O-N 3.44Å; Y90-A93 PolarHBondContact O-N 3.47Å; Y90-A94 PolarHBondContact O-N 3.46Å; Y90-L357 WeakPolarHBondContact O-CD2 3.19Å; Y90-A361 HydrophobicContact CD1-CB 3.66Å; Y90-A361 HydrophobicContact CD2-CB 3.49Å; Y90-A361 VanDerWaalsContact CD2-CB 3.49Å; Y90-A361 HydrophobicContact CE1-CB 3.7Å; Y90-A361 HydrophobicContact CE2-CB 3.51Å; Y90-A361 HydrophobicContact CG-CB 3.55Å; Y90-Y362 HydrophobicContact CD2-CE1 4.34Å; Y90-Y362 AromaticContact CD2-CE2 3.67Å; Y90-Y362 HydrophobicContact CD2-CE2 3.67Å; Y90-Y362 AromaticContact CD2-CZ 3.55Å; Y90-Y362 WeakPolarHBondContact CD2-OH 3.23Å; Y90-Y362 AromaticContact CE2-CE1 3.85Å; Y90-Y362 HydrophobicContact CE2-CE1 3.85Å; Y90-Y362 HydrophobicContact CE2-CE2 4.04Å; Y90-Y362 AromaticContact CE2-CZ 3.47Å; Y90-Y362 VanDerWaalsContact CE2-CZ 3.47Å; Y90-Y362 VanDerWaalsContact CE2-OH 3.3Å; Y90-Y362 WeakPolarHBondContact CE2-OH 3.22Å
91G97.2Very high95.4Very high0 Ų048.1 Ų48.10%026%0.262CS..Hα-helixtrans-60.1-38170.700000112.5D88 A94 S95D88-G91 PolarHBondContact O-N 3.07Å; D88-G91 PolarHBondContact OD1-N 2.93Å; G91-A94 PolarHBondContact O-N 2.88Å; G91-S95 PolarHBondContact O-N 3.5Å; G91-S95 PolarHBondContact O-OG 3.26Å
92L95.7Very high95.5Very high51 Ų5153 Ų5327%0.26729%0.288SS..Hα-helixtrans-65.8-44.3174.8179.660.8000111.5V87 D88 P89 Y90 A94 S95 F96V87-L92 HydrophobicContact CG2-CB 4.31Å; V87-L92 HydrophobicContact CG2-CD2 4.21Å; D88-L92 PolarHBondContact O-N 3.08Å; P89-L92 PolarHBondContact O-N 3.04Å; Y90-L92 VanDerWaalsContact C-N 3.29Å; Y90-L92 PolarHBondContact O-N 3.44Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 3.06Å; L92-S95 WeakPolarHBondContact O-CA 3.4Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.16Å; L92-S95 PolarHBondContact O-N 3.27Å; L92-F96 HydrophobicContact CD1-CE1 3.99Å; L92-F96 HydrophobicContact CD1-CE2 4.27Å; L92-F96 HydrophobicContact CD1-CZ 3.78Å; L92-F96 HydrophobicContact CD2-CE2 4.32Å; L92-F96 HydrophobicContact CD2-CZ 4.18Å; L92-F96 HydrophobicContact CG-CE1 4.5Å; L92-F96 HydrophobicContact CG-CE2 3.88Å; L92-F96 HydrophobicContact CG-CZ 3.85Å; L92-F96 PolarHBondContact O-N 2.92Å
93A97.4Very high95.6Very high40 Ų4052.1 Ų52.133%0.33129%0.287SS..Hα-helixtrans-59.1-43.1174.800000111.8P89 Y90 S95 F96 I97 L357P89-A93 PolarHBondContact O-N 2.71Å; Y90-A93 PolarHBondContact O-N 3.47Å; A93-S95 VanDerWaalsContact C-N 3.29Å; A93-S95 PolarHBondContact O-N 3.37Å; A93-F96 PolarHBondContact O-N 3.28Å; A93-I97 PolarHBondContact O-N 3.28Å; A93-L357 HydrophobicContact CB-CD2 4.27Å
94A98.3Very high95.6Very high0 Ų053.1 Ų53.10%029%0.293CS..Hα-helixtrans-59.9-40172.300000111.9Y90 G91 L92 F96 I97 I98 F353 K354 L357Y90-A94 PolarHBondContact O-N 3.46Å; G91-A94 PolarHBondContact O-N 2.88Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 3.06Å; A94-F96 PolarHBondContact O-N 3.25Å; A94-I97 PolarHBondContact O-N 2.97Å; A94-I98 WeakPolarHBondContact O-CG1 3.48Å; A94-I98 PolarHBondContact O-N 3.26Å; A94-F353 HydrophobicContact CB-CD1 3.66Å; A94-F353 HydrophobicContact CB-CE1 3.89Å; A94-K354 HydrophobicContact CB-CB 4.38Å; A94-K354 HydrophobicContact CB-CG 4.21Å; A94-L357 HydrophobicContact CB-CB 4.15Å; A94-L357 HydrophobicContact CB-CD2 3.98Å
95S96.8Very high95.6Very high17 Ų1749.3 Ų49.312%0.11928%0.278CS..Hα-helixtrans-61.7-41.1178-550000112.2G91 L92 A93 I97 I98 E99 K354G91-S95 PolarHBondContact O-N 3.5Å; G91-S95 PolarHBondContact O-OG 3.26Å; L92-S95 WeakPolarHBondContact O-CA 3.4Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.16Å; L92-S95 PolarHBondContact O-N 3.27Å; A93-S95 VanDerWaalsContact C-N 3.29Å; A93-S95 PolarHBondContact O-N 3.37Å; S95-I97 VanDerWaalsContact C-N 3.33Å; S95-I97 PolarHBondContact O-N 3.3Å; S95-I98 PolarHBondContact O-N 3.39Å; S95-E99 WeakPolarHBondContact O-CG 3.34Å; S95-E99 PolarHBondContact O-N 2.8Å; S95-K354 VanDerWaalsContact OG-CE 3.26Å; S95-K354 WeakPolarHBondContact OG-CE 3.45Å
96F97Very high95.7Very high83 Ų8350.2 Ų50.236%0.36428%0.28SS..Hα-helixtrans-61.1-42174.7-64.2-36.6000112.3Y16 I19 L92 A93 A94 A100Y16-F96 AromaticContact CD2-CE2 3.97Å; Y16-F96 HydrophobicContact CD2-CE2 3.97Å; Y16-F96 HydrophobicContact CD2-CZ 4.22Å; Y16-F96 HydrophobicContact CE2-CD2 4.48Å; Y16-F96 AromaticContact CE2-CE2 3.8Å; Y16-F96 HydrophobicContact CE2-CE2 3.8Å; Y16-F96 HydrophobicContact CE2-CZ 4.43Å; I19-F96 HydrophobicContact CD1-CZ 4.31Å; L92-F96 HydrophobicContact CD1-CE1 3.99Å; L92-F96 HydrophobicContact CD1-CE2 4.27Å; L92-F96 HydrophobicContact CD1-CZ 3.78Å; L92-F96 HydrophobicContact CD2-CE2 4.32Å; L92-F96 HydrophobicContact CD2-CZ 4.18Å; L92-F96 HydrophobicContact CG-CE1 4.5Å; L92-F96 HydrophobicContact CG-CE2 3.88Å; L92-F96 HydrophobicContact CG-CZ 3.85Å; L92-F96 PolarHBondContact O-N 2.92Å; A93-F96 PolarHBondContact O-N 3.28Å; A94-F96 PolarHBondContact O-N 3.25Å; F96-A100 WeakPolarHBondContact O-CB 3.45Å; F96-A100 PolarHBondContact O-N 3.17Å
97I98.1Very high96Very high73 Ų7350.1 Ų50.137%0.37428%0.279SS..Hα-helixtrans-65.2-42.8177.4-65.7167.1000111.1A93 A94 S95 A100 L101 F114 F353A93-I97 PolarHBondContact O-N 3.28Å; A94-I97 PolarHBondContact O-N 2.97Å; S95-I97 VanDerWaalsContact C-N 3.33Å; S95-I97 PolarHBondContact O-N 3.3Å; I97-A100 PolarHBondContact O-N 2.85Å; I97-L101 HydrophobicContact CG2-CD1 3.76Å; I97-L101 HydrophobicContact CG2-CG 4.42Å; I97-L101 WeakPolarHBondContact O-CB 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.13Å; I97-L101 PolarHBondContact O-N 2.95Å; I97-F114 HydrophobicContact CG2-CZ 4.44Å; I97-F353 HydrophobicContact CB-CE1 4.12Å; I97-F353 HydrophobicContact CD1-CE1 4.14Å; I97-F353 HydrophobicContact CD1-CZ 4.47Å; I97-F353 HydrophobicContact CG2-CE1 3.96Å
98I97.7Very high96.2Very high4 Ų450 Ų502%0.02127%0.271CS..Hα-helixtrans-60.3-51.2179-68.3166.2000110.6A94 S95 L101 N102 F114 P350 F353 K354A94-I98 WeakPolarHBondContact O-CG1 3.48Å; A94-I98 PolarHBondContact O-N 3.26Å; S95-I98 PolarHBondContact O-N 3.39Å; I98-L101 PolarHBondContact O-N 2.87Å; I98-N102 PolarHBondContact O-N 3.37Å; I98-F114 HydrophobicContact CG1-CE1 4.42Å; I98-F114 HydrophobicContact CG1-CZ 4.38Å; I98-P350 HydrophobicContact CB-CG 4.48Å; I98-P350 WeakPolarHBondContact CD1-O 3.29Å; I98-P350 HydrophobicContact CG1-CG 4.08Å; I98-P350 HydrophobicContact CG2-CG 3.8Å; I98-F353 HydrophobicContact CD1-CB 4.11Å; I98-F353 HydrophobicContact CD1-CD1 4.18Å; I98-F353 HydrophobicContact CG1-CB 4.39Å; I98-F353 HydrophobicContact CG1-CD1 3.94Å; I98-K354 HydrophobicContact CD1-CD 4.48Å; I98-K354 HydrophobicContact CD1-CG 3.83Å
99E96.8Very high96.3Very high96 Ų9655.8 Ų55.845%0.44930%0.298SS..Hα-helixtrans-69.8-33.1-178.7-59.2-57.2143.700112.1S95 K349S95-E99 WeakPolarHBondContact O-CG 3.34Å; S95-E99 PolarHBondContact O-N 2.8Å; E99-K349 WeakPolarHBondContact OE1-CE 3.36Å; E99-K349 IonicContact OE1-NZ 2.74Å; E99-K349 PolarHBondContact OE1-NZ 3.5Å; E99-K349 IonicContact OE2-NZ 3.25Å; E99-K349 PolarHBondContact OE2-NZ 3.04Å
100A96.9Very high96.4Very high81 Ų8153.6 Ų53.667%0.66929%0.287SS*.Hα-helixtrans-69.7-36.7177.200000113F96 I97F96-A100 WeakPolarHBondContact O-CB 3.45Å; F96-A100 PolarHBondContact O-N 3.17Å; I97-A100 PolarHBondContact O-N 2.85Å
101L97.3Very high96.4Very high106 Ų10648.9 Ų48.956%0.55527%0.269SS*.Hα-helixtrans-81.8-29.2177.6-71.3175000112.8I97 I98 T103 F114I97-L101 HydrophobicContact CG2-CD1 3.76Å; I97-L101 HydrophobicContact CG2-CG 4.42Å; I97-L101 WeakPolarHBondContact O-CB 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.13Å; I97-L101 PolarHBondContact O-N 2.95Å; I98-L101 PolarHBondContact O-N 2.87Å; L101-T103 HydrophobicContact CB-CG2 4.38Å; L101-T103 PolarHBondContact O-N 2.96Å; L101-T103 VanDerWaalsContact O-N 3.09Å; L101-F114 HydrophobicContact CB-CE2 4.4Å; L101-F114 HydrophobicContact CD1-CE2 4.06Å; L101-F114 HydrophobicContact CD1-CZ 3.72Å
102N96.4Very high96.4Very high134 Ų13451.2 Ų51.272%0.71728%0.284SS*.  trans48.739.2173.8-166.535.7000114.3I98I98-N102 PolarHBondContact O-N 3.37Å
103T96.1Very high96.5Very high46 Ų4653.2 Ų53.228%0.28230%0.298SS..  trans-88.4161.7178.161.20000111.6L101 A110 F114L101-T103 HydrophobicContact CB-CG2 4.38Å; L101-T103 PolarHBondContact O-N 2.96Å; L101-T103 VanDerWaalsContact O-N 3.09Å; T103-A110 WeakPolarHBondContact CB-O 3.4Å; T103-F114 WeakPolarHBondContact OG1-CD2 3.35Å; T103-F114 WeakPolarHBondContact OG1-CE2 3.27Å
104N94.9Very high96.5Very high39 Ų3951.7 Ų51.721%0.20928%0.284CS..  trans-112.8128.1-178.6-1773.7000110.9H106 C346 S347 R348N104-H106 VanDerWaalsContact C-N 3.33Å; N104-H106 WeakPolarHBondContact CB-ND1 3.37Å; N104-H106 PolarHBondContact ND2-ND1 2.91Å; N104-H106 VanDerWaalsContact ND2-ND1 3.11Å; N104-H106 PolarHBondContact O-N 3.18Å; N104-H106 PolarHBondContact O-ND1 3.49Å; N104-H106 PolarHBondContact OD1-ND1 3.25Å; N104-C346 PolarHBondContact ND2-O 2.81Å; N104-C346 PolarHBondContact OD1-O 3.24Å; N104-S347 WeakPolarHBondContact OD1-CA 3.49Å; N104-R348 PolarHBondContact OD1-N 2.82Å; N104-R348 PolarHBondContact OD1-O 3.24Å
105L95.3Very high96.5Very high0 Ų051.7 Ų51.70%028%0.284CS..THydrogen-bonded Turntrans-87.458.7-171.4-163.367.5000113.6A111 F114 V115 E118 I339 R348 P350L105-A111 HydrophobicContact CD1-CB 3.91Å; L105-F114 HydrophobicContact CD1-CB 3.63Å; L105-V115 HydrophobicContact CD1-CB 4.36Å; L105-V115 HydrophobicContact CD1-CG2 3.62Å; L105-E118 HydrophobicContact CD2-CB 4.34Å; L105-E118 WeakPolarHBondContact CD2-OE2 3.28Å; L105-I339 HydrophobicContact CD2-CD1 4.49Å; L105-I339 HydrophobicContact CG-CD1 4.29Å; L105-R348 HydrophobicContact CB-CB 4.44Å; L105-R348 WeakPolarHBondContact CB-O 3.22Å; L105-R348 PolarHBondContact N-O 3.1Å; L105-R348 PolarHBondContact O-NE 2.82Å; L105-R348 PolarHBondContact O-NH2 2.76Å; L105-P350 HydrophobicContact CB-CB 4.44Å; L105-P350 HydrophobicContact CD1-CB 4.26Å; L105-P350 HydrophobicContact CD2-CB 4.11Å
106H93.6Very high96.6Very high25 Ų2554.6 Ų54.612%0.11630%0.298CS..THydrogen-bonded Turntrans-113.2-37.5177.358.8-84.2000113.4N104 L326 I339 G340N104-H106 VanDerWaalsContact C-N 3.33Å; N104-H106 WeakPolarHBondContact CB-ND1 3.37Å; N104-H106 PolarHBondContact ND2-ND1 2.91Å; N104-H106 VanDerWaalsContact ND2-ND1 3.11Å; N104-H106 PolarHBondContact O-N 3.18Å; N104-H106 PolarHBondContact O-ND1 3.49Å; N104-H106 PolarHBondContact OD1-ND1 3.25Å; H106-L326 VanDerWaalsContact CD2-CD1 3.42Å; H106-L326 WeakPolarHBondContact CD2-CD1 3.27Å; H106-I339 PolarHBondContact O-N 3Å; H106-G340 WeakPolarHBondContact O-CA 3.31Å; H106-G340 PolarHBondContact O-N 3.24Å
107T95.2Very high96.7Very high4 Ų451 Ų513%0.02528%0.282CS..SBendtrans-125.1154.7177.653.90000110.4E109 A110 A111 F327 D338T107-E109 VanDerWaalsContact C-N 3.27Å; T107-E109 PolarHBondContact O-N 2.87Å; T107-A110 PolarHBondContact O-N 3.5Å; T107-A110 VanDerWaalsContact OG1-CB 3.3Å; T107-A110 WeakPolarHBondContact OG1-CB 3.38Å; T107-A110 PolarHBondContact OG1-N 3.07Å; T107-A111 PolarHBondContact O-N 2.82Å; T107-F327 HydrophobicContact CG2-CD1 4.24Å; T107-F327 HydrophobicContact CG2-CE1 4.15Å; T107-D338 WeakPolarHBondContact CA-OD1 3.39Å; T107-D338 VanDerWaalsContact CB-OD1 3.23Å; T107-D338 WeakPolarHBondContact CB-OD1 3.36Å; T107-D338 HydrophobicContact CG2-CB 4.31Å
108Y96.1Very high96.7Very high68 Ų6847.7 Ų47.727%0.26727%0.266SS..THydrogen-bonded Turntrans-61.3-39.1171.6-177.7-94.7000111.2A110 A111 P112 V115 L116 Y333 F337 D338Y108-A110 VanDerWaalsContact C-N 3.34Å; Y108-A110 PolarHBondContact O-N 3.18Å; Y108-A111 CarbonylContact O-C 3.59Å; Y108-A111 PolarHBondContact O-N 3.37Å; Y108-P112 HydrophobicContact CD1-CB 4.1Å; Y108-P112 HydrophobicContact CD2-CB 4.18Å; Y108-P112 HydrophobicContact CE1-CB 3.74Å; Y108-P112 HydrophobicContact CE2-CB 3.84Å; Y108-P112 HydrophobicContact CG-CB 4.3Å; Y108-P112 WeakPolarHBondContact O-CA 3.43Å; Y108-P112 VanDerWaalsContact O-CB 3.25Å; Y108-P112 WeakPolarHBondContact O-CB 3.46Å; Y108-P112 WeakPolarHBondContact O-CD 3.39Å; Y108-V115 HydrophobicContact CD2-CB 4.3Å; Y108-V115 HydrophobicContact CD2-CG1 4.19Å; Y108-L116 HydrophobicContact CE2-CD1 4.07Å; Y108-L116 HydrophobicContact CE2-CD2 4.09Å; Y108-L116 HydrophobicContact CE2-CG 3.9Å; Y108-Y333 AromaticContact CD1-CD1 3.96Å; Y108-Y333 HydrophobicContact CD1-CD1 3.96Å; Y108-Y333 AromaticContact CD1-CD2 4Å; Y108-Y333 HydrophobicContact CD1-CD2 4Å; Y108-Y333 HydrophobicContact CD1-CE1 4.22Å; Y108-Y333 HydrophobicContact CD1-CE2 4.29Å; Y108-Y333 AromaticContact CD1-CG 3.84Å; Y108-Y333 HydrophobicContact CD1-CG 3.84Å; Y108-Y333 HydrophobicContact CG-CD2 4.18Å; Y108-Y333 HydrophobicContact CG-CE2 4.27Å; Y108-Y333 HydrophobicContact CG-CG 4.48Å; Y108-F337 HydrophobicContact CD2-CB 3.89Å; Y108-F337 HydrophobicContact CD2-CD1 4.45Å; Y108-F337 HydrophobicContact CD2-CG 4.15Å; Y108-F337 HydrophobicContact CG-CB 4.06Å; Y108-D338 PolarHBondContact N-OD1 3.24Å
109E95.5Very high96.7Very high122 Ų12251 Ų5157%0.5728%0.282SS*.THydrogen-bonded Turntrans-58.5-43.1178-165.6173.9141.300113T107 R331 Y333T107-E109 VanDerWaalsContact C-N 3.27Å; T107-E109 PolarHBondContact O-N 2.87Å; E109-R331 IonicContact OE1-NH1 3.27Å; E109-R331 IonicContact OE2-CZ 3.93Å; E109-R331 IonicContact OE2-NH1 2.78Å; E109-R331 PolarHBondContact OE2-NH1 3.34Å; E109-Y333 HydrophobicContact CB-CE1 3.88Å; E109-Y333 PolarHBondContact N-OH 2.87Å
110A95.2Very high96.7Very high35 Ų3550.9 Ų50.929%0.28928%0.281SS..THydrogen-bonded Turntrans-73.6-28.5-17800000113.5T103 T107 Y108T103-A110 WeakPolarHBondContact CB-O 3.4Å; T107-A110 PolarHBondContact O-N 3.5Å; T107-A110 VanDerWaalsContact OG1-CB 3.3Å; T107-A110 WeakPolarHBondContact OG1-CB 3.38Å; T107-A110 PolarHBondContact OG1-N 3.07Å; Y108-A110 VanDerWaalsContact C-N 3.34Å; Y108-A110 PolarHBondContact O-N 3.18Å
111A97.1Very high96.8Very high2 Ų247.2 Ų47.22%0.01725%0.25CS..SBendtrans-151.157.3-170.900000112.8L105 T107 Y108 V113 F114 V115L105-A111 HydrophobicContact CD1-CB 3.91Å; T107-A111 PolarHBondContact O-N 2.82Å; Y108-A111 CarbonylContact O-C 3.59Å; Y108-A111 PolarHBondContact O-N 3.37Å; A111-V113 PolarHBondContact O-N 2.75Å; A111-F114 HydrophobicContact CB-CB 4.22Å; A111-F114 HydrophobicContact CB-CD2 4.23Å; A111-F114 PolarHBondContact O-N 3.02Å; A111-V115 WeakPolarHBondContact O-CG2 3.46Å; A111-V115 PolarHBondContact O-N 3.12Å
112P97.1Very high96.9Very high50 Ų5042.9 Ų42.933%0.32523%0.228SC..Hα-helixtrans-63.3-44.6-165.122.5-32.7000112.8Y108 F114 L116Y108-P112 HydrophobicContact CD1-CB 4.1Å; Y108-P112 HydrophobicContact CD2-CB 4.18Å; Y108-P112 HydrophobicContact CE1-CB 3.74Å; Y108-P112 HydrophobicContact CE2-CB 3.84Å; Y108-P112 HydrophobicContact CG-CB 4.3Å; Y108-P112 WeakPolarHBondContact O-CA 3.43Å; Y108-P112 VanDerWaalsContact O-CB 3.25Å; Y108-P112 WeakPolarHBondContact O-CB 3.46Å; Y108-P112 WeakPolarHBondContact O-CD 3.39Å; P112-F114 VanDerWaalsContact C-N 3.31Å; P112-F114 PolarHBondContact O-N 3.16Å; P112-L116 WeakPolarHBondContact O-CG 3.38Å; P112-L116 PolarHBondContact O-N 3.17Å
113V98.1Very high97Very high92 Ų9238.8 Ų38.856%0.55821%0.212SC*.Hα-helixtrans-60.8-44.8176.3176.50000110.3A111 L116 T117A111-V113 PolarHBondContact O-N 2.75Å; V113-L116 PolarHBondContact O-N 3.03Å; V113-T117 HydrophobicContact CG1-CG2 4.32Å; V113-T117 WeakPolarHBondContact O-CG2 3.25Å; V113-T117 PolarHBondContact O-N 2.91Å; V113-T117 PolarHBondContact O-OG1 3.3Å
114F98.1Very high97.1Very high8 Ų839.8 Ų39.84%0.03522%0.215CC..Hα-helixtrans-73.9-35.3-173.4-63.6-44.7000113.4I97 I98 L101 T103 L105 A111 P112 T117 E118 P350 F353I97-F114 HydrophobicContact CG2-CZ 4.44Å; I98-F114 HydrophobicContact CG1-CE1 4.42Å; I98-F114 HydrophobicContact CG1-CZ 4.38Å; L101-F114 HydrophobicContact CB-CE2 4.4Å; L101-F114 HydrophobicContact CD1-CE2 4.06Å; L101-F114 HydrophobicContact CD1-CZ 3.72Å; T103-F114 WeakPolarHBondContact OG1-CD2 3.35Å; T103-F114 WeakPolarHBondContact OG1-CE2 3.27Å; L105-F114 HydrophobicContact CD1-CB 3.63Å; A111-F114 HydrophobicContact CB-CB 4.22Å; A111-F114 HydrophobicContact CB-CD2 4.23Å; A111-F114 PolarHBondContact O-N 3.02Å; P112-F114 VanDerWaalsContact C-N 3.31Å; P112-F114 PolarHBondContact O-N 3.16Å; F114-T117 WeakPolarHBondContact CA-OG1 3.45Å; F114-T117 PolarHBondContact O-N 2.81Å; F114-T117 PolarHBondContact O-OG1 2.93Å; F114-E118 PolarHBondContact O-N 3.42Å; F114-P350 HydrophobicContact CB-CB 3.42Å; F114-P350 VanDerWaalsContact CB-CB 3.42Å; F114-P350 HydrophobicContact CB-CG 4.23Å; F114-P350 HydrophobicContact CD1-CB 3.96Å; F114-P350 HydrophobicContact CD1-CG 4.21Å; F114-P350 HydrophobicContact CD2-CB 3.74Å; F114-P350 HydrophobicContact CD2-CG 3.55Å; F114-P350 HydrophobicContact CE1-CG 4.45Å; F114-P350 HydrophobicContact CE2-CB 4.44Å; F114-P350 HydrophobicContact CE2-CG 3.82Å; F114-P350 HydrophobicContact CG-CB 3.44Å; F114-P350 VanDerWaalsContact CG-CB 3.44Å; F114-P350 HydrophobicContact CG-CG 3.75Å; F114-P350 HydrophobicContact CZ-CG 4.25Å; F114-F353 HydrophobicContact CD1-CB 3.85Å; F114-F353 HydrophobicContact CD1-CD1 4.36Å; F114-F353 AromaticContact CD1-CD2 3.96Å; F114-F353 HydrophobicContact CD1-CD2 3.96Å; F114-F353 AromaticContact CD1-CG 3.8Å; F114-F353 HydrophobicContact CD1-CG 3.8Å; F114-F353 HydrophobicContact CE1-CB 4.03Å; F114-F353 AromaticContact CE1-CD1 3.7Å; F114-F353 HydrophobicContact CE1-CD1 3.7Å; F114-F353 AromaticContact CE1-CD2 3.95Å; F114-F353 HydrophobicContact CE1-CD2 3.95Å; F114-F353 HydrophobicContact CE1-CE1 4.11Å; F114-F353 HydrophobicContact CE1-CE2 4.33Å; F114-F353 AromaticContact CE1-CG 3.61Å; F114-F353 HydrophobicContact CE1-CG 3.61Å; F114-F353 HydrophobicContact CE1-CZ 4.41Å
115V97.8Very high97.2Very high0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-57.7-50.9171.7167.70000109.8L105 Y108 A111 T117 E118 M119 F337 I339L105-V115 HydrophobicContact CD1-CB 4.36Å; L105-V115 HydrophobicContact CD1-CG2 3.62Å; Y108-V115 HydrophobicContact CD2-CB 4.3Å; Y108-V115 HydrophobicContact CD2-CG1 4.19Å; A111-V115 WeakPolarHBondContact O-CG2 3.46Å; A111-V115 PolarHBondContact O-N 3.12Å; V115-T117 VanDerWaalsContact C-N 3.33Å; V115-T117 PolarHBondContact O-N 3.45Å; V115-E118 PolarHBondContact O-N 3.13Å; V115-M119 HydrophobicContact CG1-SD 3.92Å; V115-M119 WeakPolarHBondContact O-CG 3.2Å; V115-M119 PolarHBondContact O-N 3.28Å; V115-F337 HydrophobicContact CG1-CB 4.24Å; V115-F337 HydrophobicContact CG1-CD1 4.35Å; V115-F337 WeakPolarHBondContact CG1-O 3.33Å; V115-I339 HydrophobicContact CG1-CD1 4.32Å; V115-I339 HydrophobicContact CG2-CD1 4.25Å; V115-I339 HydrophobicContact CG2-CG1 4.44Å
116L98.2Very high97.3Very high78 Ų7839.5 Ų39.541%0.40821%0.211SC..Hα-helixtrans-62-41.2179.6-65177.8000112Y108 P112 V113 M119 E120 F337Y108-L116 HydrophobicContact CE2-CD1 4.07Å; Y108-L116 HydrophobicContact CE2-CD2 4.09Å; Y108-L116 HydrophobicContact CE2-CG 3.9Å; P112-L116 WeakPolarHBondContact O-CG 3.38Å; P112-L116 PolarHBondContact O-N 3.17Å; V113-L116 PolarHBondContact O-N 3.03Å; L116-M119 PolarHBondContact O-N 3.47Å; L116-E120 VanDerWaalsContact O-CB 3.31Å; L116-E120 WeakPolarHBondContact O-CB 3.47Å; L116-E120 PolarHBondContact O-N 3.3Å; L116-F337 HydrophobicContact CD2-CD1 4.11Å; L116-F337 HydrophobicContact CD2-CE1 3.78Å
117T98.3Very high97.5Very high7 Ų742 Ų424%0.04323%0.232CC..Hα-helixtrans-67.8-35.3178.861.40000112.7V113 F114 V115 V121 F353 W356V113-T117 HydrophobicContact CG1-CG2 4.32Å; V113-T117 WeakPolarHBondContact O-CG2 3.25Å; V113-T117 PolarHBondContact O-N 2.91Å; V113-T117 PolarHBondContact O-OG1 3.3Å; F114-T117 WeakPolarHBondContact CA-OG1 3.45Å; F114-T117 PolarHBondContact O-N 2.81Å; F114-T117 PolarHBondContact O-OG1 2.93Å; V115-T117 VanDerWaalsContact C-N 3.33Å; V115-T117 PolarHBondContact O-N 3.45Å; T117-V121 WeakPolarHBondContact O-CB 3.48Å; T117-V121 VanDerWaalsContact O-CG2 3.24Å; T117-V121 WeakPolarHBondContact O-CG2 3.35Å; T117-V121 PolarHBondContact O-N 3.32Å; T117-F353 HydrophobicContact CG2-CD2 3.92Å; T117-F353 HydrophobicContact CG2-CE2 4.31Å; T117-W356 HydrophobicContact CG2-CD2 3.84Å; T117-W356 HydrophobicContact CG2-CE3 4.41Å; T117-W356 HydrophobicContact CG2-CG 3.87Å; T117-W356 HydrophobicContact CG2-CZ2 4.45Å
118E98.2Very high97.6Very high5 Ų542.5 Ų42.52%0.02324%0.236CC..Hα-helixtrans-66.4-46.4175.1178.5166.498.800111.4L105 F114 V115 E120 V121 I122 F138 I339 R348 A352L105-E118 HydrophobicContact CD2-CB 4.34Å; L105-E118 WeakPolarHBondContact CD2-OE2 3.28Å; F114-E118 PolarHBondContact O-N 3.42Å; V115-E118 PolarHBondContact O-N 3.13Å; E118-E120 VanDerWaalsContact C-N 3.32Å; E118-E120 PolarHBondContact O-N 3.06Å; E118-V121 PolarHBondContact O-N 3.38Å; E118-I122 HydrophobicContact CG-CD1 3.66Å; E118-I122 HydrophobicContact CG-CG1 4.41Å; E118-I122 WeakPolarHBondContact O-CB 3.44Å; E118-I122 VanDerWaalsContact O-CG1 3.29Å; E118-I122 WeakPolarHBondContact O-CG1 3.4Å; E118-I122 PolarHBondContact O-N 3.4Å; E118-F138 HydrophobicContact CG-CD2 4.06Å; E118-I339 VanDerWaalsContact OE1-CD1 3.25Å; E118-I339 WeakPolarHBondContact OE1-CD1 3.43Å; E118-R348 IonicContact OE1-CZ 3.61Å; E118-R348 VanDerWaalsContact OE1-CZ 3.24Å; E118-R348 IonicContact OE1-NH1 3.24Å; E118-R348 PolarHBondContact OE1-NH1 3.39Å; E118-R348 IonicContact OE1-NH2 3.9Å; E118-R348 PolarHBondContact OE1-NH2 3.37Å; E118-R348 IonicContact OE2-CZ 2.8Å; E118-R348 IonicContact OE2-NH1 2.71Å; E118-R348 PolarHBondContact OE2-NH1 3.25Å; E118-R348 IonicContact OE2-NH2 3.61Å; E118-A352 HydrophobicContact CB-CB 3.68Å; E118-A352 HydrophobicContact CG-CB 3.78Å
119M97.8Very high97.7Very high74 Ų7439.3 Ų39.337%0.36522%0.224SC..Hα-helixtrans-59.2-44.7176.9-67.917574.800111.4V115 L116 I122 A123 F337V115-M119 HydrophobicContact CG1-SD 3.92Å; V115-M119 WeakPolarHBondContact O-CG 3.2Å; V115-M119 PolarHBondContact O-N 3.28Å; L116-M119 PolarHBondContact O-N 3.47Å; M119-I122 PolarHBondContact O-N 2.91Å; M119-A123 WeakPolarHBondContact O-CB 3.42Å; M119-A123 PolarHBondContact O-N 3.39Å; M119-F337 HydrophobicContact CE-CD1 3.98Å; M119-F337 HydrophobicContact CE-CE1 3.89Å; M119-F337 HydrophobicContact SD-CD1 3.56Å; M119-F337 VanDerWaalsContact SD-CD1 3.56Å; M119-F337 HydrophobicContact SD-CE1 3.88Å
120E98.4Very high97.8Very high93 Ų9338.5 Ų38.544%0.43522%0.223SC..Hα-helixtrans-63.1-46.6177.6179.863.5-173.700111.9L116 E118 I122 A123 M124L116-E120 VanDerWaalsContact O-CB 3.31Å; L116-E120 WeakPolarHBondContact O-CB 3.47Å; L116-E120 PolarHBondContact O-N 3.3Å; E118-E120 VanDerWaalsContact C-N 3.32Å; E118-E120 PolarHBondContact O-N 3.06Å; E120-I122 VanDerWaalsContact C-N 3.35Å; E120-I122 PolarHBondContact O-N 3.22Å; E120-A123 PolarHBondContact O-N 3.29Å; E120-M124 WeakPolarHBondContact O-CB 3.49Å; E120-M124 WeakPolarHBondContact O-CG 3.32Å; E120-M124 PolarHBondContact O-N 3.09Å
121V98.5Very high97.9Very high3 Ų338.1 Ų38.12%0.01822%0.216CC..Hα-helixtrans-61-45.4177.7166.80000110.8T117 E118 A123 M124 I125 F138 I355 W356T117-V121 WeakPolarHBondContact O-CB 3.48Å; T117-V121 VanDerWaalsContact O-CG2 3.24Å; T117-V121 WeakPolarHBondContact O-CG2 3.35Å; T117-V121 PolarHBondContact O-N 3.32Å; E118-V121 PolarHBondContact O-N 3.38Å; V121-A123 VanDerWaalsContact C-N 3.35Å; V121-A123 PolarHBondContact O-N 3Å; V121-M124 PolarHBondContact O-N 2.64Å; V121-I125 HydrophobicContact CG1-CD1 3.59Å; V121-I125 HydrophobicContact CG1-CG1 4.27Å; V121-I125 WeakPolarHBondContact O-CB 3.47Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 3.41Å; V121-F138 HydrophobicContact CG1-CE2 3.76Å; V121-F138 HydrophobicContact CG1-CZ 3.83Å; V121-I355 HydrophobicContact CG1-CB 4.03Å; V121-I355 HydrophobicContact CG1-CD1 4.48Å; V121-I355 HydrophobicContact CG1-CG2 3.62Å; V121-I355 HydrophobicContact CG2-CB 4.44Å; V121-I355 HydrophobicContact CG2-CG2 4.31Å; V121-W356 HydrophobicContact CG2-CB 3.55Å; V121-W356 HydrophobicContact CG2-CG 4.22Å
122I98.5Very high97.8Very high16 Ų1641.9 Ų41.98%0.08224%0.241CC..Hα-helixtrans-61.6-45.7177.9-69.1165.4000110E118 M119 E120 M124 I125 K126 F138 L306 L308E118-I122 HydrophobicContact CG-CD1 3.66Å; E118-I122 HydrophobicContact CG-CG1 4.41Å; E118-I122 WeakPolarHBondContact O-CB 3.44Å; E118-I122 VanDerWaalsContact O-CG1 3.29Å; E118-I122 WeakPolarHBondContact O-CG1 3.4Å; E118-I122 PolarHBondContact O-N 3.4Å; M119-I122 PolarHBondContact O-N 2.91Å; E120-I122 VanDerWaalsContact C-N 3.35Å; E120-I122 PolarHBondContact O-N 3.22Å; I122-M124 PolarHBondContact O-N 2.79Å; I122-I125 PolarHBondContact O-N 3.11Å; I122-K126 HydrophobicContact CG2-CD 3.66Å; I122-K126 HydrophobicContact CG2-CG 4.22Å; I122-K126 WeakPolarHBondContact O-CB 3.47Å; I122-K126 WeakPolarHBondContact O-CD 3.43Å; I122-K126 WeakPolarHBondContact O-CG 3.35Å; I122-K126 PolarHBondContact O-N 3.07Å; I122-F138 HydrophobicContact CD1-CD2 4.3Å; I122-F138 HydrophobicContact CG1-CD2 4.16Å; I122-F138 HydrophobicContact CG1-CE2 3.88Å; I122-L306 HydrophobicContact CG1-CD1 4.07Å; I122-L308 HydrophobicContact CG2-CD2 4.45Å
123A98.3Very high97.8Very high47 Ų4744.6 Ų44.639%0.38825%0.253SS..Hα-helixtrans-58.5-46.5177.300000112M119 E120 V121 K126 S127M119-A123 WeakPolarHBondContact O-CB 3.42Å; M119-A123 PolarHBondContact O-N 3.39Å; E120-A123 PolarHBondContact O-N 3.29Å; V121-A123 VanDerWaalsContact C-N 3.35Å; V121-A123 PolarHBondContact O-N 3Å; A123-K126 PolarHBondContact O-N 2.71Å; A123-S127 WeakPolarHBondContact O-CB 3.45Å; A123-S127 PolarHBondContact O-N 2.87Å
124M98.2Very high97.7Very high68 Ų6840.7 Ų40.734%0.33523%0.229SC..Hα-helixtrans-65-41.2178.5-73.9-58.6-61.300112.6E120 V121 I122 S127 A128 W359E120-M124 WeakPolarHBondContact O-CB 3.49Å; E120-M124 WeakPolarHBondContact O-CG 3.32Å; E120-M124 PolarHBondContact O-N 3.09Å; V121-M124 PolarHBondContact O-N 2.64Å; I122-M124 PolarHBondContact O-N 2.79Å; M124-S127 PolarHBondContact O-N 2.82Å; M124-A128 WeakPolarHBondContact O-CB 3.25Å; M124-A128 PolarHBondContact O-N 3.06Å; M124-W359 HydrophobicContact CB-CH2 4Å; M124-W359 HydrophobicContact CB-CZ2 3.83Å; M124-W359 HydrophobicContact CB-CZ3 4.43Å; M124-W359 HydrophobicContact CE-CZ2 4.03Å
125I98.3Very high97.7Very high0 Ų042.3 Ų42.30%024%0.237CC..Hα-helixtrans-63-50.3176-67.2169.1000110.4V121 I122 S127 A128 I129 F138 W292 W294 L306 W359V121-I125 HydrophobicContact CG1-CD1 3.59Å; V121-I125 HydrophobicContact CG1-CG1 4.27Å; V121-I125 WeakPolarHBondContact O-CB 3.47Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 3.41Å; I122-I125 PolarHBondContact O-N 3.11Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.35Å; I125-A128 PolarHBondContact O-N 3.46Å; I125-A128 VanDerWaalsContact O-N 3.07Å; I125-I129 HydrophobicContact CG2-CD1 4.23Å; I125-I129 WeakPolarHBondContact O-CG1 3.34Å; I125-I129 PolarHBondContact O-N 2.8Å; I125-F138 HydrophobicContact CD1-CZ 4.01Å; I125-W292 HydrophobicContact CG2-CE3 4.3Å; I125-W292 HydrophobicContact CG2-CZ3 3.84Å; I125-W294 HydrophobicContact CD1-CD2 4.47Å; I125-W294 HydrophobicContact CD1-CH2 4.24Å; I125-W294 HydrophobicContact CD1-CZ2 3.42Å; I125-W294 VanDerWaalsContact CD1-CZ2 3.42Å; I125-W294 HydrophobicContact CG1-CH2 4.09Å; I125-W294 HydrophobicContact CG1-CZ2 3.47Å; I125-W294 VanDerWaalsContact CG1-CZ2 3.47Å; I125-W294 HydrophobicContact CG2-CZ2 4.32Å; I125-L306 HydrophobicContact CB-CD2 4.33Å; I125-L306 HydrophobicContact CD1-CD2 4.04Å; I125-L306 HydrophobicContact CG2-CD2 3.56Å; I125-W359 HydrophobicContact CD1-CZ3 4.45Å; I125-W359 HydrophobicContact CG1-CH2 4Å; I125-W359 HydrophobicContact CG1-CZ3 3.51Å
126K98Very high97.7Very high33 Ų3343.1 Ų43.114%0.14325%0.246CC..Hα-helixtrans-56.6-42.5179.2-72.2170.550-170.70112.2I122 A123 D130 L131 P132 S134 L308I122-K126 HydrophobicContact CG2-CD 3.66Å; I122-K126 HydrophobicContact CG2-CG 4.22Å; I122-K126 WeakPolarHBondContact O-CB 3.47Å; I122-K126 WeakPolarHBondContact O-CD 3.43Å; I122-K126 WeakPolarHBondContact O-CG 3.35Å; I122-K126 PolarHBondContact O-N 3.07Å; A123-K126 PolarHBondContact O-N 2.71Å; K126-D130 PolarHBondContact O-N 2.81Å; K126-D130 VanDerWaalsContact O-N 3.14Å; K126-L131 WeakPolarHBondContact CB-O 3.36Å; K126-L131 VanDerWaalsContact CE-O 3.32Å; K126-L131 WeakPolarHBondContact CE-O 3.11Å; K126-L131 PolarHBondContact O-N 2.87Å; K126-P132 WeakPolarHBondContact CE-O 3.25Å; K126-P132 PolarHBondContact NZ-O 2.99Å; K126-S134 WeakPolarHBondContact CD-OG 3.25Å; K126-S134 WeakPolarHBondContact CE-O 3.48Å; K126-S134 WeakPolarHBondContact CE-OG 2.8Å; K126-S134 VanDerWaalsContact CG-OG 3.3Å; K126-S134 WeakPolarHBondContact CG-OG 3.45Å; K126-S134 PolarHBondContact NZ-O 2.79Å; K126-L308 HydrophobicContact CD-CD2 4.49Å; K126-L308 HydrophobicContact CG-CD2 4.04Å
127S97.6Very high97.7Very high77 Ų7740 Ų4054%0.53823%0.229SC..Hα-helixtrans-65.5-43.4175.2-173.30000111.5A123 M124 I125 I129 D130A123-S127 WeakPolarHBondContact O-CB 3.45Å; A123-S127 PolarHBondContact O-N 2.87Å; M124-S127 PolarHBondContact O-N 2.82Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.35Å; S127-I129 VanDerWaalsContact C-N 3.25Å; S127-I129 PolarHBondContact O-N 3.3Å; S127-D130 PolarHBondContact O-N 3.22Å
128A97.4Very high97.6Very high15 Ų1539.9 Ų39.912%0.12423%0.228CC..Hα-helixtrans-65.3-28.9-179.100000113M124 I125 L273 R278 W359 L364M124-A128 WeakPolarHBondContact O-CB 3.25Å; M124-A128 PolarHBondContact O-N 3.06Å; I125-A128 PolarHBondContact O-N 3.46Å; I125-A128 VanDerWaalsContact O-N 3.07Å; A128-L273 HydrophobicContact CB-CD2 4.21Å; A128-R278 PolarHBondContact O-NH2 3.41Å; A128-W359 HydrophobicContact CB-CH2 4.25Å; A128-W359 HydrophobicContact CB-CZ2 4.5Å; A128-L364 HydrophobicContact CB-CD1 3.85Å; A128-L364 HydrophobicContact CB-CD2 3.98Å
129I97.6Very high97.5Very high0 Ų039.8 Ų39.80%023%0.228CC..THydrogen-bonded Turntrans-104.914.4179.674.9178.2000113.4I125 S127 L131 L272 L273 Y284 W292 L308I125-I129 HydrophobicContact CG2-CD1 4.23Å; I125-I129 WeakPolarHBondContact O-CG1 3.34Å; I125-I129 PolarHBondContact O-N 2.8Å; S127-I129 VanDerWaalsContact C-N 3.25Å; S127-I129 PolarHBondContact O-N 3.3Å; I129-L131 VanDerWaalsContact C-N 3.31Å; I129-L131 HydrophobicContact CD1-CD1 3.9Å; I129-L131 HydrophobicContact CD1-CG 4.35Å; I129-L131 HydrophobicContact CG1-CB 4.27Å; I129-L131 HydrophobicContact CG1-CD1 4.22Å; I129-L131 HydrophobicContact CG1-CG 4.11Å; I129-L131 PolarHBondContact O-N 3.42Å; I129-L272 HydrophobicContact CB-CB 4.22Å; I129-L272 HydrophobicContact CB-CD1 4.24Å; I129-L272 HydrophobicContact CD1-CD1 4.25Å; I129-L272 HydrophobicContact CG2-CB 3.65Å; I129-L272 HydrophobicContact CG2-CD1 4.15Å; I129-L273 HydrophobicContact CG2-CD2 4.43Å; I129-Y284 HydrophobicContact CB-CE2 4.49Å; I129-Y284 VanDerWaalsContact O-CE2 3.27Å; I129-Y284 WeakPolarHBondContact O-CE2 3.08Å; I129-Y284 PolarHBondContact O-OH 2.84Å; I129-W292 HydrophobicContact CG2-CZ3 4.32Å; I129-L308 HydrophobicContact CD1-CD1 3.63Å
130D96.9Very high97.3Very high105 Ų10537.4 Ų37.456%0.56122%0.22SC*.THydrogen-bonded Turntrans5735.8177-56.8-54.2000115.2K126 S127 P132 R278K126-D130 PolarHBondContact O-N 2.81Å; K126-D130 VanDerWaalsContact O-N 3.14Å; S127-D130 PolarHBondContact O-N 3.22Å; D130-P132 WeakPolarHBondContact O-CD 3.45Å; D130-R278 IonicContact OD2-CZ 3.9Å; D130-R278 IonicContact OD2-NH1 3.79Å; D130-R278 PolarHBondContact OD2-NH1 3.45Å
131L97.6Very high97.2Very high27 Ų2733.5 Ų33.514%0.14121%0.205CC..  trans-117.953.7170.7-58.8-179.6000112.1K126 I129 D133 S134 Y284 E285 L308K126-L131 WeakPolarHBondContact CB-O 3.36Å; K126-L131 VanDerWaalsContact CE-O 3.32Å; K126-L131 WeakPolarHBondContact CE-O 3.11Å; K126-L131 PolarHBondContact O-N 2.87Å; I129-L131 VanDerWaalsContact C-N 3.31Å; I129-L131 HydrophobicContact CD1-CD1 3.9Å; I129-L131 HydrophobicContact CD1-CG 4.35Å; I129-L131 HydrophobicContact CG1-CB 4.27Å; I129-L131 HydrophobicContact CG1-CD1 4.22Å; I129-L131 HydrophobicContact CG1-CG 4.11Å; I129-L131 PolarHBondContact O-N 3.42Å; L131-D133 PolarHBondContact O-N 2.82Å; L131-D133 VanDerWaalsContact O-N 3.12Å; L131-S134 PolarHBondContact O-N 2.96Å; L131-S134 VanDerWaalsContact O-N 3.1Å; L131-S134 PolarHBondContact O-OG 2.87Å; L131-Y284 HydrophobicContact CD1-CD2 4.07Å; L131-Y284 HydrophobicContact CD1-CE2 4Å; L131-Y284 HydrophobicContact CD2-CD2 4.47Å; L131-Y284 HydrophobicContact CD2-CE2 4.09Å; L131-Y284 HydrophobicContact CG-CD2 4.45Å; L131-Y284 HydrophobicContact CG-CE2 3.94Å; L131-E285 HydrophobicContact CD2-CB 3.85Å; L131-L308 HydrophobicContact CD1-CD1 4.37Å
132P95.7Very high97.1Very high82 Ų8233.7 Ų33.753%0.53221%0.208SC..THydrogen-bonded Turntrans-60.9-27.8-170.226.5-36.3000113.7K126 D130K126-P132 WeakPolarHBondContact CE-O 3.25Å; K126-P132 PolarHBondContact NZ-O 2.99Å; D130-P132 WeakPolarHBondContact O-CD 3.45Å
133D95.3Very high97.1Very high107 Ų10734.8 Ų34.857%0.57222%0.217SC*.THydrogen-bonded Turntrans-91.11.6-179-75.2-54.9000115.1L131 K312L131-D133 PolarHBondContact O-N 2.82Å; L131-D133 VanDerWaalsContact O-N 3.12Å; D133-K312 WeakPolarHBondContact O-CE 3.36Å; D133-K312 WeakPolarHBondContact O-CG 3.34Å; D133-K312 IonicContact OD1-NZ 3.66Å; D133-K312 PolarHBondContact OD1-NZ 3.49Å
134S97.9Very high97.1Very high9 Ų934.6 Ų34.66%0.06321%0.209CC..  trans-71.6159.3175.7580000112.9K126 L131 T309K126-S134 WeakPolarHBondContact CD-OG 3.25Å; K126-S134 WeakPolarHBondContact CE-O 3.48Å; K126-S134 WeakPolarHBondContact CE-OG 2.8Å; K126-S134 VanDerWaalsContact CG-OG 3.3Å; K126-S134 WeakPolarHBondContact CG-OG 3.45Å; K126-S134 PolarHBondContact NZ-O 2.79Å; L131-S134 PolarHBondContact O-N 2.96Å; L131-S134 VanDerWaalsContact O-N 3.1Å; L131-S134 PolarHBondContact O-OG 2.87Å; S134-T309 CarbonylContact C-O 3.52Å; S134-T309 WeakPolarHBondContact CA-O 3.4Å; S134-T309 WeakPolarHBondContact CB-O 3.44Å
135E97.7Very high97.1Very high42 Ų4231.4 Ų31.420%0.19619%0.193CC..EExtended strand (participates in β ladder)trans-102.6147.8165.2-174.6-177.8174.100108.8L308 T309 K312 G313 L315E135-L308 CarbonylContact O-C 3.57Å; E135-L308 VanDerWaalsContact O-CA 3.27Å; E135-L308 WeakPolarHBondContact O-CA 3.49Å; E135-T309 HydrophobicContact CB-CG2 4Å; E135-T309 PolarHBondContact N-O 3.36Å; E135-T309 PolarHBondContact O-N 3.41Å; E135-K312 WeakPolarHBondContact OE2-CA 3.5Å; E135-G313 PolarHBondContact OE2-N 3.05Å; E135-L315 HydrophobicContact CG-CD1 4.02Å
136G97.5Very high97.1Very high18 Ų1831.4 Ų31.419%0.18619%0.193CC..EExtended strand (participates in β ladder)trans-143.5161.3-17800000114.6F307G136-F307 CarbonylContact C-O 3.57Å; G136-F307 WeakPolarHBondContact CA-O 3.35Å
137T97.1Very high97.1Very high11 Ų1130.8 Ų30.87%0.06719%0.191CC..EExtended strand (participates in β ladder)trans-153.1158.3169.9-170.10000110.3Y148 F307 L315 R348T137-Y148 HydrophobicContact CG2-CD1 4.48Å; T137-Y148 HydrophobicContact CG2-CE1 4.26Å; T137-F307 HydrophobicContact CG2-CB 4.24Å; T137-F307 HydrophobicContact CG2-CD1 4.28Å; T137-F307 PolarHBondContact N-O 3.2Å; T137-F307 PolarHBondContact O-N 2.64Å; T137-L315 HydrophobicContact CG2-CD1 4.16Å; T137-R348 PolarHBondContact OG1-NH1 2.8Å
138F97Very high97.1Very high5 Ų527.1 Ų27.12%0.02217%0.165CC..EExtended strand (participates in β ladder)trans-95.6137.3169-81-89.8000111.9E118 V121 I122 I125 S305 L306 R348 A352 I355E118-F138 HydrophobicContact CG-CD2 4.06Å; V121-F138 HydrophobicContact CG1-CE2 3.76Å; V121-F138 HydrophobicContact CG1-CZ 3.83Å; I122-F138 HydrophobicContact CD1-CD2 4.3Å; I122-F138 HydrophobicContact CG1-CD2 4.16Å; I122-F138 HydrophobicContact CG1-CE2 3.88Å; I125-F138 HydrophobicContact CD1-CZ 4.01Å; F138-S305 CarbonylContact C-O 3.31Å; F138-S305 WeakPolarHBondContact CA-O 3.13Å; F138-S305 WeakPolarHBondContact CD1-O 3.19Å; F138-L306 HydrophobicContact CD2-CD1 4.44Å; F138-L306 HydrophobicContact CE1-CB 4.03Å; F138-L306 HydrophobicContact CE2-CD1 4.05Å; F138-L306 HydrophobicContact CZ-CB 4.24Å; F138-L306 HydrophobicContact CZ-CD1 4.1Å; F138-R348 PolarHBondContact O-NH1 3.1Å; F138-R348 VanDerWaalsContact O-NH1 3.11Å; F138-A352 HydrophobicContact CD2-CB 3.58Å; F138-A352 HydrophobicContact CE2-CB 3.76Å; F138-A352 HydrophobicContact CG-CB 4.16Å; F138-I355 HydrophobicContact CD1-CD1 4.31Å; F138-I355 HydrophobicContact CE1-CD1 3.23Å; F138-I355 HydrophobicContact CE2-CD1 4.43Å; F138-I355 HydrophobicContact CZ-CD1 3.31Å
139C96.2Very high97.2Very high3 Ų326.4 Ų26.42%0.0216%0.16CC..EExtended strand (participates in β ladder)trans-118.1158.1-175.2-61.30000111.9G141 I144 A145 Y148 S305C139-G141 PolarHBondContact O-N 3.34Å; C139-I144 HydrophobicContact CB-CB 4.35Å; C139-I144 HydrophobicContact CB-CG2 4.03Å; C139-A145 HydrophobicContact CB-CB 3.91Å; C139-Y148 WeakPolarHBondContact SG-CD2 3.21Å; C139-Y148 VanDerWaalsContact SG-CE2 3.53Å; C139-S305 PolarHBondContact N-O 3.22Å
140A93.9Very high97.2Very high24 Ų2426.4 Ų26.420%0.19816%0.16CC..SBendtrans-71.575.2170.900000112.5I144 Q303A140-I144 HydrophobicContact CB-CG1 4.44Å; A140-I144 VanDerWaalsContact O-CG1 3.28Å; A140-I144 WeakPolarHBondContact O-CG1 3.32Å; A140-Q303 VanDerWaalsContact CA-CD 3.41Å; A140-Q303 VanDerWaalsContact CB-OE1 3.23Å; A140-Q303 PolarHBondContact O-OE1 3.15Å
141G95.8Very high97.3Very high11 Ų1122 Ų2211%0.11314%0.137CC..Hα-helixtrans82.2166.5176.500000114.2C139 S143 I144 A145 S305C139-G141 PolarHBondContact O-N 3.34Å; G141-S143 VanDerWaalsContact C-N 3.3Å; G141-S143 PolarHBondContact O-N 2.81Å; G141-I144 PolarHBondContact O-N 3.2Å; G141-A145 PolarHBondContact O-N 2.89Å; G141-S305 WeakPolarHBondContact CA-OG 3.27Å
142G97.3Very high97.3Very high8 Ų820.7 Ų20.78%0.08213%0.13CC..Hα-helixtrans-66.2-29.5-171.400000113.9I144 A145 N146 N293 S305G142-I144 PolarHBondContact O-N 3.43Å; G142-A145 PolarHBondContact O-N 3.14Å; G142-N146 WeakPolarHBondContact O-CB 3.18Å; G142-N146 PolarHBondContact O-N 3.22Å; G142-N146 PolarHBondContact O-ND2 2.84Å; G142-N293 WeakPolarHBondContact CA-OD1 3.15Å; G142-N293 PolarHBondContact N-OD1 2.98Å; G142-S305 PolarHBondContact N-OG 3Å
143S97.9Very high97.4Very high38 Ų3816.9 Ų16.927%0.26611%0.105SC..Hα-helixtrans-64.1-42.6176.2-660000111.8G141 M147G141-S143 VanDerWaalsContact C-N 3.3Å; G141-S143 PolarHBondContact O-N 2.81Å; S143-M147 VanDerWaalsContact O-CG 3.27Å; S143-M147 WeakPolarHBondContact O-CG 3.43Å; S143-M147 PolarHBondContact O-N 3.1Å
144I97.6Very high97.6Very high44 Ų4413.8 Ų13.823%0.2269%0.085CC..Hα-helixtrans-70.4-44.3176.5-61.5-58000110.1C139 A140 G141 G142 N146 M147 Y148 I344C139-I144 HydrophobicContact CB-CB 4.35Å; C139-I144 HydrophobicContact CB-CG2 4.03Å; A140-I144 HydrophobicContact CB-CG1 4.44Å; A140-I144 VanDerWaalsContact O-CG1 3.28Å; A140-I144 WeakPolarHBondContact O-CG1 3.32Å; G141-I144 PolarHBondContact O-N 3.2Å; G142-I144 PolarHBondContact O-N 3.43Å; I144-N146 VanDerWaalsContact C-N 3.27Å; I144-N146 PolarHBondContact O-N 2.85Å; I144-M147 HydrophobicContact CD1-SD 3.9Å; I144-M147 CarbonylContact O-C 3.56Å; I144-M147 WeakPolarHBondContact O-CA 3.33Å; I144-M147 WeakPolarHBondContact O-CB 3.26Å; I144-M147 PolarHBondContact O-N 3.01Å; I144-Y148 HydrophobicContact CG2-CD2 3.9Å; I144-Y148 HydrophobicContact CG2-CE2 3.74Å; I144-Y148 WeakPolarHBondContact O-CD2 3.46Å; I144-Y148 PolarHBondContact O-N 2.85Å; I144-I344 HydrophobicContact CG2-CD1 4.18Å
145A98.2Very high97.6Very high0 Ų014.3 Ų14.30%09%0.087CC..Hα-helixtrans-55.2-43.4176.300000112.3C139 G141 G142 Y148 G149 T291 F307C139-A145 HydrophobicContact CB-CB 3.91Å; G141-A145 PolarHBondContact O-N 2.89Å; G142-A145 PolarHBondContact O-N 3.14Å; A145-Y148 WeakPolarHBondContact O-CB 3.33Å; A145-Y148 PolarHBondContact O-N 3.23Å; A145-G149 PolarHBondContact O-N 3.18Å; A145-T291 HydrophobicContact CB-CG2 3.68Å; A145-T291 WeakPolarHBondContact O-CG2 3.34Å; A145-F307 HydrophobicContact CB-CB 4.42Å; A145-F307 VanDerWaalsContact O-CD2 3.26Å; A145-F307 WeakPolarHBondContact O-CD2 3.17Å
146N98.7Very high97.6Very high1 Ų118.8 Ų18.81%0.00510%0.103CC..Hα-helixtrans-65.5-37.1174.2-79.5-14.1000112.9G142 I144 Y148 G149 L150 S183 W233 H262 D264 T291G142-N146 WeakPolarHBondContact O-CB 3.18Å; G142-N146 PolarHBondContact O-N 3.22Å; G142-N146 PolarHBondContact O-ND2 2.84Å; I144-N146 VanDerWaalsContact C-N 3.27Å; I144-N146 PolarHBondContact O-N 2.85Å; N146-Y148 VanDerWaalsContact C-N 3.33Å; N146-G149 PolarHBondContact O-N 3.46Å; N146-L150 PolarHBondContact O-N 2.73Å; N146-S183 PolarHBondContact ND2-OG 2.85Å; N146-W233 HydrophobicContact CB-CH2 3.5Å; N146-W233 VanDerWaalsContact CB-CH2 3.5Å; N146-W233 HydrophobicContact CB-CZ2 3.49Å; N146-W233 VanDerWaalsContact CB-CZ2 3.49Å; N146-W233 VanDerWaalsContact CG-CZ2 3.49Å; N146-H262 PolarHBondContact OD1-NE2 2.78Å; N146-D264 PolarHBondContact ND2-OD2 2.78Å; N146-T291 WeakPolarHBondContact OD1-CB 3.33Å; N146-T291 WeakPolarHBondContact OD1-CG2 3.41Å; N146-T291 PolarHBondContact OD1-OG1 3.33Å
147M98.4Very high97.5Very high19 Ų1920.8 Ų20.89%0.09411%0.105CC..Hα-helixtrans-65.1-35173.5-72.9171.5-174.900112.3S143 I144 G149 L150 S151 K186 A187 F190 M191S143-M147 VanDerWaalsContact O-CG 3.27Å; S143-M147 WeakPolarHBondContact O-CG 3.43Å; S143-M147 PolarHBondContact O-N 3.1Å; I144-M147 HydrophobicContact CD1-SD 3.9Å; I144-M147 CarbonylContact O-C 3.56Å; I144-M147 WeakPolarHBondContact O-CA 3.33Å; I144-M147 WeakPolarHBondContact O-CB 3.26Å; I144-M147 PolarHBondContact O-N 3.01Å; M147-G149 VanDerWaalsContact C-N 3.34Å; M147-L150 PolarHBondContact O-N 3.46Å; M147-S151 WeakPolarHBondContact O-CB 3.43Å; M147-S151 PolarHBondContact O-N 2.93Å; M147-K186 HydrophobicContact CE-CB 4.38Å; M147-A187 HydrophobicContact CE-CB 4.38Å; M147-A187 HydrophobicContact CG-CB 3.67Å; M147-F190 HydrophobicContact CE-CB 4.18Å; M147-F190 HydrophobicContact CE-CD1 4.3Å; M147-F190 HydrophobicContact CE-CG 4.4Å; M147-F190 HydrophobicContact SD-CD1 3.9Å; M147-F190 HydrophobicContact SD-CE1 4.46Å; M147-M191 HydrophobicContact CB-CE 4.15Å; M147-M191 HydrophobicContact CB-SD 4.49Å; M147-M191 HydrophobicContact CG-CE 4.07Å
148Y98.3Very high97.4Very high1 Ų122 Ų220%0.00411%0.112CC..Hα-helixtrans-57.9-47.3171.2-90.9-98.4000111.1T137 C139 I144 A145 N146 L150 S151 I152 L315 H319 S343 I344T137-Y148 HydrophobicContact CG2-CD1 4.48Å; T137-Y148 HydrophobicContact CG2-CE1 4.26Å; C139-Y148 WeakPolarHBondContact SG-CD2 3.21Å; C139-Y148 VanDerWaalsContact SG-CE2 3.53Å; I144-Y148 HydrophobicContact CG2-CD2 3.9Å; I144-Y148 HydrophobicContact CG2-CE2 3.74Å; I144-Y148 WeakPolarHBondContact O-CD2 3.46Å; I144-Y148 PolarHBondContact O-N 2.85Å; A145-Y148 WeakPolarHBondContact O-CB 3.33Å; A145-Y148 PolarHBondContact O-N 3.23Å; N146-Y148 VanDerWaalsContact C-N 3.33Å; Y148-L150 VanDerWaalsContact C-N 3.34Å; Y148-L150 PolarHBondContact O-N 3.37Å; Y148-S151 PolarHBondContact O-N 2.98Å; Y148-I152 WeakPolarHBondContact O-CG1 3.44Å; Y148-I152 PolarHBondContact O-N 2.74Å; Y148-L315 HydrophobicContact CD1-CD2 3.52Å; Y148-L315 HydrophobicContact CE1-CD2 3.98Å; Y148-H319 AromaticContact CD1-CE1 3.47Å; Y148-H319 VanDerWaalsContact CD1-CE1 3.47Å; Y148-H319 WeakPolarHBondContact CD1-CE1 3.3Å; Y148-H319 AromaticContact CE1-CE1 3.63Å; Y148-H319 AromaticContact CE1-ND1 3.73Å; Y148-S343 WeakPolarHBondContact OH-CA 3.35Å; Y148-S343 VanDerWaalsContact OH-CB 3.31Å; Y148-S343 WeakPolarHBondContact OH-CB 3.34Å; Y148-S343 PolarHBondContact OH-OG 3.22Å; Y148-S343 VanDerWaalsContact OH-OG 3.08Å; Y148-I344 HydrophobicContact CD2-CD1 4.39Å; Y148-I344 HydrophobicContact CE1-CG2 4.41Å; Y148-I344 HydrophobicContact CE2-CD1 3.86Å; Y148-I344 HydrophobicContact CE2-CG1 3.76Å; Y148-I344 PolarHBondContact OH-N 2.94Å
149G98.3Very high97.4Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-55.5-48.2177.700000112.7A145 N146 M147 I152 A153A145-G149 PolarHBondContact O-N 3.18Å; N146-G149 PolarHBondContact O-N 3.46Å; M147-G149 VanDerWaalsContact C-N 3.34Å; G149-I152 WeakPolarHBondContact O-CG1 3.48Å; G149-A153 VanDerWaalsContact O-CB 3.24Å; G149-A153 WeakPolarHBondContact O-CB 3.29Å; G149-A153 PolarHBondContact O-N 3.46Å
150L98.3Very high97.4Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-72.3-33.3179.3-169.561.1000113.2N146 M147 Y148 R154 I174 A187 M191 F193 F230 C231 W233N146-L150 PolarHBondContact O-N 2.73Å; M147-L150 PolarHBondContact O-N 3.46Å; Y148-L150 VanDerWaalsContact C-N 3.34Å; Y148-L150 PolarHBondContact O-N 3.37Å; L150-R154 PolarHBondContact O-N 3.44Å; L150-R154 VanDerWaalsContact O-N 3.07Å; L150-I174 HydrophobicContact CD1-CD1 3.77Å; L150-I174 HydrophobicContact CD1-CG1 4.06Å; L150-I174 HydrophobicContact CD2-CD1 3.49Å; L150-I174 VanDerWaalsContact CD2-CD1 3.49Å; L150-I174 HydrophobicContact CG-CD1 4.25Å; L150-A187 HydrophobicContact CD2-CB 3.98Å; L150-M191 HydrophobicContact CB-CE 3.8Å; L150-M191 HydrophobicContact CD2-CE 3.52Å; L150-M191 HydrophobicContact CG-CE 3.85Å; L150-F193 HydrophobicContact CD2-CD2 4.32Å; L150-F193 HydrophobicContact CD2-CE2 4.01Å; L150-F193 HydrophobicContact CG-CE2 4Å; L150-F193 HydrophobicContact CG-CZ 4.22Å; L150-F230 HydrophobicContact CD1-CE2 3.71Å; L150-F230 HydrophobicContact CD1-CZ 3.41Å; L150-F230 VanDerWaalsContact CD1-CZ 3.41Å; L150-F230 HydrophobicContact CG-CZ 4.47Å; L150-C231 HydrophobicContact CD1-CB 4.5Å; L150-W233 HydrophobicContact CB-CZ3 4.2Å; L150-W233 HydrophobicContact CD2-CZ3 4.14Å
151S98Very high97.5Very high12 Ų1227.6 Ų27.68%0.08414%0.141CC..Hα-helixtrans-62.7-49.9175.8-1750000111M147 Y148 R154 H155 H319M147-S151 WeakPolarHBondContact O-CB 3.43Å; M147-S151 PolarHBondContact O-N 2.93Å; Y148-S151 PolarHBondContact O-N 2.98Å; S151-R154 PolarHBondContact O-N 3.04Å; S151-H155 PolarHBondContact O-N 3.45Å; S151-H155 VanDerWaalsContact O-N 3.08Å; S151-H319 PolarHBondContact OG-NE2 3.39Å; S151-H319 VanDerWaalsContact OG-NE2 3.09Å
152I98.4Very high97.4Very high0 Ų030.1 Ų30.10%015%0.148CC..Hα-helixtrans-71.8-33.2178.771.2168.7000112.2Y148 G149 R154 H155 Y156 W260 F307 T309 L314 L315 C318Y148-I152 WeakPolarHBondContact O-CG1 3.44Å; Y148-I152 PolarHBondContact O-N 2.74Å; G149-I152 WeakPolarHBondContact O-CG1 3.48Å; I152-R154 VanDerWaalsContact C-N 3.32Å; I152-R154 PolarHBondContact O-N 3.09Å; I152-H155 PolarHBondContact O-N 3.3Å; I152-Y156 VanDerWaalsContact O-CB 3.27Å; I152-Y156 WeakPolarHBondContact O-CB 3.49Å; I152-Y156 PolarHBondContact O-N 2.98Å; I152-W260 HydrophobicContact CD1-CH2 3.79Å; I152-W260 HydrophobicContact CD1-CZ2 3.73Å; I152-W260 HydrophobicContact CG1-CH2 3.88Å; I152-W260 HydrophobicContact CG1-CZ2 3.69Å; I152-F307 HydrophobicContact CD1-CE1 3.81Å; I152-F307 HydrophobicContact CD1-CZ 3.46Å; I152-F307 VanDerWaalsContact CD1-CZ 3.46Å; I152-F307 HydrophobicContact CG1-CZ 4.09Å; I152-T309 HydrophobicContact CD1-CG2 3.98Å; I152-T309 WeakPolarHBondContact CD1-OG1 3.32Å; I152-L314 HydrophobicContact CB-CD2 3.92Å; I152-L314 HydrophobicContact CB-CG 4.06Å; I152-L314 HydrophobicContact CD1-CD2 3.98Å; I152-L314 HydrophobicContact CG1-CD2 4.23Å; I152-L315 HydrophobicContact CG2-CD2 3.95Å; I152-C318 HydrophobicContact CG2-CB 4.09Å
153A98.6Very high97.3Very high1 Ų137.3 Ų37.31%0.00818%0.18CC..Hα-helixtrans-58.1-46.2173.700000111G149 Y156 Y157 F230 W260G149-A153 VanDerWaalsContact O-CB 3.24Å; G149-A153 WeakPolarHBondContact O-CB 3.29Å; G149-A153 PolarHBondContact O-N 3.46Å; A153-Y156 PolarHBondContact O-N 2.83Å; A153-Y157 VanDerWaalsContact O-CB 3.23Å; A153-Y157 WeakPolarHBondContact O-CB 3.23Å; A153-Y157 PolarHBondContact O-N 3.31Å; A153-F230 HydrophobicContact CB-CE2 4.16Å; A153-W260 HydrophobicContact CB-CB 4.06Å; A153-W260 HydrophobicContact CB-CD2 3.56Å; A153-W260 HydrophobicContact CB-CE3 4.23Å; A153-W260 HydrophobicContact CB-CG 3.47Å; A153-W260 VanDerWaalsContact CB-CG 3.47Å; A153-W260 HydrophobicContact CB-CZ2 4.39Å
154R98.1Very high97.2Very high42 Ų4241.2 Ų41.216%0.15819%0.194CC..Hα-helixtrans-61.7-45.6174.8175.3-175.557.5-158.1-4.1112.2L150 S151 I152 Y157 D158 T161 L166 M172 M191 F193L150-R154 PolarHBondContact O-N 3.44Å; L150-R154 VanDerWaalsContact O-N 3.07Å; S151-R154 PolarHBondContact O-N 3.04Å; I152-R154 VanDerWaalsContact C-N 3.32Å; I152-R154 PolarHBondContact O-N 3.09Å; R154-Y157 PolarHBondContact O-N 3.1Å; R154-D158 CarbonylContact O-C 3.51Å; R154-D158 PolarHBondContact O-N 3.22Å; R154-T161 HydrophobicContact CG-CG2 4.04Å; R154-L166 HydrophobicContact CG-CD2 4.4Å; R154-M172 HydrophobicContact CG-SD 4.14Å; R154-M191 PolarHBondContact NH1-O 3.46Å; R154-M191 VanDerWaalsContact NH1-O 3.14Å; R154-F193 HydrophobicContact CB-CZ 3.95Å; R154-F193 HydrophobicContact CG-CZ 4.16Å
155H97.7Very high97.1Very high20 Ų2040.3 Ų40.39%0.09320%0.195CC..Hα-helixtrans-66.6-39.2-179.4-17973.3000112.3S151 I152 D158 N159 S317 C318S151-H155 PolarHBondContact O-N 3.45Å; S151-H155 VanDerWaalsContact O-N 3.08Å; I152-H155 PolarHBondContact O-N 3.3Å; H155-D158 CarbonylContact O-C 3.43Å; H155-D158 PolarHBondContact O-N 3.02Å; H155-N159 WeakPolarHBondContact O-CA 3.14Å; H155-N159 WeakPolarHBondContact O-CB 3.4Å; H155-N159 PolarHBondContact O-N 3.34Å; H155-S317 PolarHBondContact CD2-OG 2.9Å; H155-S317 PolarHBondContact NE2-O 3.41Å; H155-S317 PolarHBondContact NE2-OG 3.35Å; H155-C318 HydrophobicContact CB-CB 3.98Å; H155-C318 VanDerWaalsContact CB-SG 3.57Å
156Y97.7Very high97Very high137 Ų13742.5 Ų42.554%0.53721%0.207SC..Hα-helixtrans-63.1-46.2174.2-178.6-91.1000111.4I152 A153 D158 W260 H311 L314I152-Y156 VanDerWaalsContact O-CB 3.27Å; I152-Y156 WeakPolarHBondContact O-CB 3.49Å; I152-Y156 PolarHBondContact O-N 2.98Å; A153-Y156 PolarHBondContact O-N 2.83Å; Y156-D158 VanDerWaalsContact C-N 3.33Å; Y156-D158 PolarHBondContact O-N 3.07Å; Y156-W260 HydrophobicContact CD1-CE3 4.08Å; Y156-W260 HydrophobicContact CD1-CZ3 4.08Å; Y156-W260 HydrophobicContact CD2-CZ3 4.23Å; Y156-W260 HydrophobicContact CG-CE3 4.23Å; Y156-W260 AromaticContact CG-CZ3 3.8Å; Y156-W260 HydrophobicContact CG-CZ3 3.8Å; Y156-H311 AromaticContact CE2-CE1 3.77Å; Y156-H311 AromaticContact CE2-ND1 3.73Å; Y156-L314 HydrophobicContact CD2-CD1 4.31Å; Y156-L314 HydrophobicContact CD2-CD2 4.04Å; Y156-L314 HydrophobicContact CG-CD2 4.42Å
157Y96.5Very high96.7Very high60 Ų6051.1 Ų51.124%0.23525%0.245CC..Hα-helixtrans-64.9-38.3179.3-165.7-98.3000112.4A153 R154 M172 R228 P229 F230A153-Y157 VanDerWaalsContact O-CB 3.23Å; A153-Y157 WeakPolarHBondContact O-CB 3.23Å; A153-Y157 PolarHBondContact O-N 3.31Å; R154-Y157 PolarHBondContact O-N 3.1Å; Y157-M172 HydrophobicContact CD1-CE 3.93Å; Y157-M172 HydrophobicContact CD1-SD 4.48Å; Y157-M172 HydrophobicContact CE1-CE 4.45Å; Y157-R228 WeakPolarHBondContact OH-CD 3.35Å; Y157-R228 VanDerWaalsContact OH-CG 3.25Å; Y157-R228 WeakPolarHBondContact OH-CG 3.12Å; Y157-R228 PolarHBondContact OH-NE 3.11Å; Y157-R228 PolarHBondContact OH-NH2 3.17Å; Y157-P229 PolarHBondContact OH-O 3.27Å; Y157-F230 HydrophobicContact CD1-CB 4.42Å; Y157-F230 HydrophobicContact CD2-CB 4.05Å; Y157-F230 HydrophobicContact CE1-CB 4.28Å; Y157-F230 HydrophobicContact CE2-CB 3.89Å; Y157-F230 HydrophobicContact CG-CB 4.28Å
158D95.3Very high96.4Very high37 Ų3754.8 Ų54.820%0.19829%0.287CS..  trans-158.191.7-176.2-169.5-18.9000111.4R154 H155 Y156 S160 T161 R169 M172R154-D158 CarbonylContact O-C 3.51Å; R154-D158 PolarHBondContact O-N 3.22Å; H155-D158 CarbonylContact O-C 3.43Å; H155-D158 PolarHBondContact O-N 3.02Å; Y156-D158 VanDerWaalsContact C-N 3.33Å; Y156-D158 PolarHBondContact O-N 3.07Å; D158-S160 PolarHBondContact O-N 3.35Å; D158-S160 VanDerWaalsContact O-N 3.16Å; D158-S160 PolarHBondContact OD1-N 3.06Å; D158-S160 PolarHBondContact OD1-OG 2.9Å; D158-T161 HydrophobicContact CB-CG2 4.04Å; D158-T161 WeakPolarHBondContact O-CB 3.4Å; D158-T161 VanDerWaalsContact O-CG2 3.3Å; D158-T161 WeakPolarHBondContact O-CG2 3.4Å; D158-T161 PolarHBondContact O-N 3.29Å; D158-T161 VanDerWaalsContact O-N 3.17Å; D158-T161 PolarHBondContact O-OG1 3.44Å; D158-R169 IonicContact OD1-CZ 3.7Å; D158-R169 IonicContact OD1-NH2 3.02Å; D158-R169 PolarHBondContact OD1-NH2 3.44Å; D158-R169 IonicContact OD2-CZ 3.01Å; D158-R169 IonicContact OD2-NE 2.76Å; D158-R169 PolarHBondContact OD2-NE 3.34Å; D158-R169 IonicContact OD2-NH2 2.6Å; D158-R169 PolarHBondContact OD2-NH2 2.99Å; D158-M172 HydrophobicContact CB-CE 3.91Å
159N96Very high96Very high111 Ų11158.2 Ų58.259%0.59430%0.3SS*.THydrogen-bonded Turntrans-65.4-21.4-174.766.418000113.4H155 T161 K162H155-N159 WeakPolarHBondContact O-CA 3.14Å; H155-N159 WeakPolarHBondContact O-CB 3.4Å; H155-N159 PolarHBondContact O-N 3.34Å; N159-T161 PolarHBondContact O-N 3.09Å; N159-K162 WeakPolarHBondContact O-CB 3.46Å; N159-K162 PolarHBondContact O-N 3.44Å
160S95.9Very high95.8Very high27 Ų2762.6 Ų62.619%0.18932%0.32CS..THydrogen-bonded Turntrans-66.6-19.1179.374.10000112.2D158 K162 Q163 Q164 R169D158-S160 PolarHBondContact O-N 3.35Å; D158-S160 VanDerWaalsContact O-N 3.16Å; D158-S160 PolarHBondContact OD1-N 3.06Å; D158-S160 PolarHBondContact OD1-OG 2.9Å; S160-K162 PolarHBondContact O-N 2.94Å; S160-Q163 PolarHBondContact O-N 3.41Å; S160-Q164 WeakPolarHBondContact O-CB 3.2Å; S160-Q164 PolarHBondContact O-N 3.39Å; S160-R169 VanDerWaalsContact OG-CZ 3.23Å; S160-R169 PolarHBondContact OG-NH1 2.89Å; S160-R169 PolarHBondContact OG-NH2 2.65Å
161T95.6Very high95.8Very high11 Ų1166.8 Ų66.87%0.06734%0.336CS..Hα-helixtrans-58.6-24.9171.560.80000113.2R154 D158 N159 Q163 G165 L166 M172R154-T161 HydrophobicContact CG-CG2 4.04Å; D158-T161 HydrophobicContact CB-CG2 4.04Å; D158-T161 WeakPolarHBondContact O-CB 3.4Å; D158-T161 VanDerWaalsContact O-CG2 3.3Å; D158-T161 WeakPolarHBondContact O-CG2 3.4Å; D158-T161 PolarHBondContact O-N 3.29Å; D158-T161 VanDerWaalsContact O-N 3.17Å; D158-T161 PolarHBondContact O-OG1 3.44Å; N159-T161 PolarHBondContact O-N 3.09Å; T161-Q163 VanDerWaalsContact C-N 3.26Å; T161-Q163 PolarHBondContact O-N 3.25Å; T161-G165 VanDerWaalsContact O-CA 3.28Å; T161-G165 WeakPolarHBondContact O-CA 3.19Å; T161-G165 PolarHBondContact O-N 3.04Å; T161-L166 HydrophobicContact CG2-CD2 4.12Å; T161-M172 HydrophobicContact CG2-CE 4.12Å
162K95.3Very high95.8Very high63 Ų6366.6 Ų66.627%0.27433%0.334SS..Hα-helixtrans-62.2-33.7173.9-172.8174.7-1761780112.2N159 S160 S317 C318 S320N159-K162 WeakPolarHBondContact O-CB 3.46Å; N159-K162 PolarHBondContact O-N 3.44Å; S160-K162 PolarHBondContact O-N 2.94Å; K162-S317 PolarHBondContact NZ-O 3.16Å; K162-C318 WeakPolarHBondContact CD-O 3.36Å; K162-C318 WeakPolarHBondContact CE-O 3.38Å; K162-C318 PolarHBondContact NZ-O 3.48Å; K162-S320 WeakPolarHBondContact CE-O 3.31Å; K162-S320 PolarHBondContact NZ-O 2.91Å; K162-S320 PolarHBondContact NZ-OG 3.3Å
163Q95.4Very high95.8Very high160 Ų16066.6 Ų66.675%0.74833%0.334SS*.Hα-helixtrans-101.4-37.9-178.2-64.4-61.8-38.700112.6S160 T161S160-Q163 PolarHBondContact O-N 3.41Å; T161-Q163 VanDerWaalsContact C-N 3.26Å; T161-Q163 PolarHBondContact O-N 3.25Å
164Q95.7Very high95.8Very high119 Ų11966.6 Ų66.656%0.55633%0.334SS*.Hα-helixtrans-102.9-9-170.2-60.6175.60.600113.5S160 R169S160-Q164 WeakPolarHBondContact O-CB 3.2Å; S160-Q164 PolarHBondContact O-N 3.39Å; Q164-R169 VanDerWaalsContact OE1-NH1 3.08Å
165G95.5Very high95.8Very high25 Ų2564.6 Ų64.626%0.25833%0.326SS..THydrogen-bonded Turntrans64-154.9-170.500000112.8T161T161-G165 VanDerWaalsContact O-CA 3.28Å; T161-G165 WeakPolarHBondContact O-CA 3.19Å; T161-G165 PolarHBondContact O-N 3.04Å
166L95.3Very high95.9Very high46 Ų4663.7 Ų63.724%0.24132%0.323CS..THydrogen-bonded Turntrans-96.33.7-177.9-66.5174.9000113.6R154 T161 M172 G192 F193R154-L166 HydrophobicContact CG-CD2 4.4Å; T161-L166 HydrophobicContact CG2-CD2 4.12Å; L166-M172 HydrophobicContact CD2-CE 4.45Å; L166-M172 HydrophobicContact CD2-SD 4.16Å; L166-G192 VanDerWaalsContact CD1-C 3.5Å; L166-G192 WeakPolarHBondContact CD1-O 3.33Å; L166-F193 HydrophobicContact CD1-CD1 4.06Å; L166-F193 HydrophobicContact CD1-CD2 4.45Å; L166-F193 HydrophobicContact CD1-CE1 4.33Å; L166-F193 HydrophobicContact CD1-CG 4.14Å; L166-F193 HydrophobicContact CD2-CE1 4.48Å
167F92.7Very high95.9Very high183 Ų18357.4 Ų57.480%0.80330%0.299SS*.THydrogen-bonded Turntrans-69.7138.5-174.5-58.3-75.3000112.4R169F167-R169 WeakPolarHBondContact O-CG 3.35Å; F167-R169 PolarHBondContact O-N 2.93Å
168G90.9Very high95.9Very high95 Ų9556.7 Ų56.798%0.97931%0.305SS*.THydrogen-bonded Turntrans71.312.7175.900000115.2
169R91.5Very high96Very high73 Ų7355.7 Ų55.728%0.27530%0.299SS..SBendtrans-104.5158.7-178.7-46.5-173.1102.876.211.7111.2D158 S160 Q164 F167D158-R169 IonicContact OD1-CZ 3.7Å; D158-R169 IonicContact OD1-NH2 3.02Å; D158-R169 PolarHBondContact OD1-NH2 3.44Å; D158-R169 IonicContact OD2-CZ 3.01Å; D158-R169 IonicContact OD2-NE 2.76Å; D158-R169 PolarHBondContact OD2-NE 3.34Å; D158-R169 IonicContact OD2-NH2 2.6Å; D158-R169 PolarHBondContact OD2-NH2 2.99Å; S160-R169 VanDerWaalsContact OG-CZ 3.23Å; S160-R169 PolarHBondContact OG-NH1 2.89Å; S160-R169 PolarHBondContact OG-NH2 2.65Å; Q164-R169 VanDerWaalsContact OE1-NH1 3.08Å; F167-R169 WeakPolarHBondContact O-CG 3.35Å; F167-R169 PolarHBondContact O-N 2.93Å
170Q94.5Very high96.1Very high92 Ų9251.3 Ų51.343%0.4328%0.278SS..  trans-58142.9163.8-71.1175-48.400109.7M172 S225 D226 R228Q170-M172 PolarHBondContact O-N 3.33Å; Q170-M172 VanDerWaalsContact O-N 3.12Å; Q170-S225 PolarHBondContact NE2-O 3.13Å; Q170-D226 WeakPolarHBondContact CA-O 3.49Å; Q170-R228 HydrophobicContact CB-CB 4.27Å
171R96.6Very high96.1Very high88 Ų8851.6 Ų51.633%0.33228%0.277SS..EExtended strand (participates in β ladder)trans-67113.7179.4-173.5-174-67-90.212.6109.8I173 F193 E196 S197 D226 R227 R228R171-I173 HydrophobicContact CB-CD1 4.33Å; R171-I173 HydrophobicContact CG-CD1 3.78Å; R171-I173 WeakPolarHBondContact O-CG1 3.3Å; R171-I173 PolarHBondContact O-N 3.01Å; R171-F193 PolarHBondContact NH1-O 3.07Å; R171-E196 IonicContact CZ-OE2 3.83Å; R171-E196 IonicContact NH2-OE2 3.96Å; R171-E196 PolarHBondContact NH2-OE2 3.45Å; R171-S197 WeakPolarHBondContact CD-OG 3.29Å; R171-S197 WeakPolarHBondContact CG-OG 3.4Å; R171-D226 PolarHBondContact N-O 2.89Å; R171-R227 HydrophobicContact CB-CG 4.31Å; R171-R227 WeakPolarHBondContact O-CA 3.48Å; R171-R228 PolarHBondContact O-N 2.93Å
172M97.9Very high96.2Very high9 Ų957.5 Ų57.54%0.04430%0.299CS..EExtended strand (participates in β ladder)trans-70.7119.4176.7-66.4-176.3179.900110.3R154 Y157 D158 T161 L166 Q170 F193 S197 R228 F230R154-M172 HydrophobicContact CG-SD 4.14Å; Y157-M172 HydrophobicContact CD1-CE 3.93Å; Y157-M172 HydrophobicContact CD1-SD 4.48Å; Y157-M172 HydrophobicContact CE1-CE 4.45Å; D158-M172 HydrophobicContact CB-CE 3.91Å; T161-M172 HydrophobicContact CG2-CE 4.12Å; L166-M172 HydrophobicContact CD2-CE 4.45Å; L166-M172 HydrophobicContact CD2-SD 4.16Å; Q170-M172 PolarHBondContact O-N 3.33Å; Q170-M172 VanDerWaalsContact O-N 3.12Å; M172-F193 HydrophobicContact CB-CD1 4.14Å; M172-F193 HydrophobicContact CB-CE1 4.01Å; M172-F193 HydrophobicContact SD-CE1 4.07Å; M172-S197 WeakPolarHBondContact O-CB 3.48Å; M172-R228 CarbonylContact C-O 3.56Å; M172-R228 WeakPolarHBondContact CA-O 3.3Å; M172-F230 VanDerWaalsContact C-CD1 3.5Å; M172-F230 HydrophobicContact CB-CD1 3.47Å; M172-F230 VanDerWaalsContact CB-CD1 3.47Å; M172-F230 HydrophobicContact CB-CE1 3.58Å; M172-F230 HydrophobicContact CB-CG 4.11Å; M172-F230 HydrophobicContact CB-CZ 4.37Å; M172-F230 HydrophobicContact CG-CD1 4.45Å
173I98.7Very high96.3Very high0 Ų054.5 Ų54.50%029%0.286CS..EExtended strand (participates in β ladder)trans-100.5128.7-175.1-53.9-51.6000113.3R171 F175 S197 V199 V221 R227 R228 F230 C231R171-I173 HydrophobicContact CB-CD1 4.33Å; R171-I173 HydrophobicContact CG-CD1 3.78Å; R171-I173 WeakPolarHBondContact O-CG1 3.3Å; R171-I173 PolarHBondContact O-N 3.01Å; I173-F175 HydrophobicContact CG2-CE1 4.18Å; I173-F175 HydrophobicContact CG2-CE2 4.06Å; I173-F175 HydrophobicContact CG2-CZ 3.84Å; I173-S197 WeakPolarHBondContact CA-O 3.49Å; I173-V199 HydrophobicContact CG2-CB 4.2Å; I173-V199 HydrophobicContact CG2-CG2 3.52Å; I173-V221 HydrophobicContact CB-CG1 4.07Å; I173-V221 HydrophobicContact CG1-CG1 3.66Å; I173-V221 HydrophobicContact CG2-CG1 4.31Å; I173-V221 HydrophobicContact CG2-CG2 4.16Å; I173-R227 HydrophobicContact CD1-CB 4.24Å; I173-R227 HydrophobicContact CD1-CG 4.22Å; I173-R227 HydrophobicContact CG1-CB 3.91Å; I173-R227 HydrophobicContact CG1-CG 4.42Å; I173-R228 PolarHBondContact N-O 3.28Å; I173-F230 VanDerWaalsContact C-CD1 3.47Å; I173-F230 WeakPolarHBondContact O-CD1 3.21Å; I173-F230 PolarHBondContact O-N 2.91Å; I173-C231 PolarHBondContact O-N 2.98Å
174I98.8Very high96.4Very high0 Ų047.1 Ų47.10%025%0.251CS..EExtended strand (participates in β ladder)trans-102.5124.9175.6-49.5164.8000107.9L150 V184 A188 S197 V198 V199 F230 C231 W233L150-I174 HydrophobicContact CD1-CD1 3.77Å; L150-I174 HydrophobicContact CD1-CG1 4.06Å; L150-I174 HydrophobicContact CD2-CD1 3.49Å; L150-I174 VanDerWaalsContact CD2-CD1 3.49Å; L150-I174 HydrophobicContact CG-CD1 4.25Å; I174-V184 HydrophobicContact CG2-CG2 3.96Å; I174-A188 HydrophobicContact CD1-CB 4.37Å; I174-S197 PolarHBondContact N-O 3.08Å; I174-V198 HydrophobicContact CD1-CG2 4.28Å; I174-V198 CarbonylContact O-C 3.55Å; I174-V198 WeakPolarHBondContact O-CA 3.42Å; I174-V199 PolarHBondContact O-N 3.01Å; I174-F230 HydrophobicContact CB-CE1 4.41Å; I174-F230 HydrophobicContact CD1-CE1 4.18Å; I174-F230 HydrophobicContact CD1-CZ 4.15Å; I174-F230 HydrophobicContact CG1-CD1 4.31Å; I174-F230 HydrophobicContact CG1-CE1 3.27Å; I174-F230 HydrophobicContact CG1-CZ 3.57Å; I174-C231 CarbonylContact C-O 3.33Å; I174-C231 WeakPolarHBondContact CA-O 3.44Å; I174-C231 HydrophobicContact CG2-CB 4.44Å; I174-W233 HydrophobicContact CG2-CB 4.15Å; I174-W233 HydrophobicContact CG2-CE3 4.45Å
175F98.9Very high96.5Very high0 Ų046.3 Ų46.30%025%0.246CC..EExtended strand (participates in β ladder)trans-95.8124.5171-57.9-87.2000108.7I173 V199 V201 L214 I218 V221 P229 C231 V232 W233I173-F175 HydrophobicContact CG2-CE1 4.18Å; I173-F175 HydrophobicContact CG2-CE2 4.06Å; I173-F175 HydrophobicContact CG2-CZ 3.84Å; F175-V199 HydrophobicContact CD1-CB 3.83Å; F175-V199 HydrophobicContact CD1-CG1 3.88Å; F175-V199 HydrophobicContact CE1-CB 4.05Å; F175-V199 HydrophobicContact CE1-CG1 4.08Å; F175-V199 HydrophobicContact CE1-CG2 4.33Å; F175-V201 HydrophobicContact CB-CG2 4.06Å; F175-V201 HydrophobicContact CD1-CG2 4.34Å; F175-L214 HydrophobicContact CB-CD1 3.79Å; F175-L214 HydrophobicContact CD1-CD1 4.44Å; F175-L214 HydrophobicContact CG-CD1 4.13Å; F175-I218 HydrophobicContact CD1-CG1 4.28Å; F175-I218 HydrophobicContact CD2-CG1 4.13Å; F175-I218 HydrophobicContact CE1-CG1 4.01Å; F175-I218 HydrophobicContact CE2-CG1 3.88Å; F175-I218 HydrophobicContact CG-CG1 4.34Å; F175-I218 HydrophobicContact CZ-CB 4.36Å; F175-I218 HydrophobicContact CZ-CG1 3.79Å; F175-V221 HydrophobicContact CE1-CG2 3.84Å; F175-V221 HydrophobicContact CZ-CB 4.04Å; F175-V221 HydrophobicContact CZ-CG1 4.43Å; F175-V221 HydrophobicContact CZ-CG2 3.8Å; F175-P229 HydrophobicContact CE2-CB 3.74Å; F175-P229 HydrophobicContact CE2-CG 4.15Å; F175-P229 HydrophobicContact CZ-CB 4.18Å; F175-P229 HydrophobicContact CZ-CG 4.08Å; F175-C231 PolarHBondContact N-O 3.43Å; F175-V232 HydrophobicContact CB-CG2 4.4Å; F175-V232 HydrophobicContact CD2-CG2 4.38Å; F175-W233 PolarHBondContact O-N 2.97Å
176A98.8Very high96.7Very high2 Ų250.4 Ų50.42%0.01726%0.257CS..EExtended strand (participates in β ladder)trans-137.2146.5177.300000109.5A180 V184 V198 V199 T200 V201 W233A176-A180 HydrophobicContact CB-CB 3.95Å; A176-V184 HydrophobicContact CB-CB 4.5Å; A176-V184 HydrophobicContact CB-CG1 4.04Å; A176-V184 HydrophobicContact CB-CG2 4.05Å; A176-V198 HydrophobicContact CB-CG1 4.24Å; A176-V199 PolarHBondContact N-O 2.65Å; A176-T200 CarbonylContact O-C 3.33Å; A176-T200 WeakPolarHBondContact O-CA 3.34Å; A176-V201 PolarHBondContact O-N 3.26Å; A176-W233 HydrophobicContact CB-CB 4.06Å
177S97.9Very high96.8Very high5 Ų548.2 Ų48.24%0.03525%0.245CC..EExtended strand (participates in β ladder)trans-66.8156.3-179.280.80000111.2Q179 A180 V201 C203S177-Q179 PolarHBondContact O-N 2.81Å; S177-Q179 VanDerWaalsContact O-N 3.17Å; S177-Q179 PolarHBondContact OG-N 2.71Å; S177-A180 WeakPolarHBondContact O-CB 2.99Å; S177-A180 PolarHBondContact O-N 2.74Å; S177-A180 PolarHBondContact OG-N 2.68Å; S177-V201 CarbonylContact C-O 3.58Å; S177-V201 WeakPolarHBondContact CA-O 3.37Å; S177-C203 VanDerWaalsContact CB-SG 3.54Å
178A97.2Very high97.1Very high44 Ų4439.5 Ų39.536%0.36421%0.207SC..THydrogen-bonded Turntrans-59.3-24.817400000112.4T200 V201A178-T200 VanDerWaalsContact CA-CG2 3.48Å; A178-T200 HydrophobicContact CB-CG2 3.73Å; A178-V201 PolarHBondContact N-O 3.45Å
179Q96.6Very high97.4Very high17 Ų1739.2 Ų39.28%0.07919%0.186CC..THydrogen-bonded Turntrans-96.85177.3-60.8-64-46.600113.2S177 C203 T238 D451S177-Q179 PolarHBondContact O-N 2.81Å; S177-Q179 VanDerWaalsContact O-N 3.17Å; S177-Q179 PolarHBondContact OG-N 2.71Å; Q179-C203 HydrophobicContact CG-CB 4.02Å; Q179-C203 VanDerWaalsContact CG-SG 3.59Å; Q179-T238 HydrophobicContact CB-CG2 3.85Å; Q179-D451 PolarHBondContact NE2-OD2 3.37Å
180A97.8Very high97.7Very high18 Ų1843.1 Ų43.115%0.14921%0.205CC..SBendtrans-63.4148.6176.300000110.8A176 S177 Y182 V184A176-A180 HydrophobicContact CB-CB 3.95Å; S177-A180 WeakPolarHBondContact O-CB 2.99Å; S177-A180 PolarHBondContact O-N 2.74Å; S177-A180 PolarHBondContact OG-N 2.68Å; A180-Y182 PolarHBondContact O-N 3.1Å; A180-V184 HydrophobicContact CB-CG1 4.49Å
181H97.4Very high97.8Very high34 Ų3440 Ų4016%0.15719%0.191CC..  trans-62.9138.5178.8-174.5-102.7000110.5S183 V184H181-S183 WeakPolarHBondContact ND1-CB 3.43Å; H181-S183 PolarHBondContact ND1-N 2.86Å; H181-S183 PolarHBondContact ND1-OG 2.72Å; H181-S183 PolarHBondContact O-N 2.81Å; H181-V184 WeakPolarHBondContact O-CG1 3.26Å; H181-V184 PolarHBondContact O-N 2.71Å; H181-V184 VanDerWaalsContact O-N 3.1Å
182Y96.4Very high97.9Very high135 Ų13538.4 Ų38.453%0.52920%0.201SC..THydrogen-bonded Turntrans-57.8-13.3-176.367.6-100.4000113.7A180 V184 K185 K186A180-Y182 PolarHBondContact O-N 3.1Å; Y182-V184 PolarHBondContact O-N 3.12Å; Y182-K185 PolarHBondContact O-N 3.48Å; Y182-K185 VanDerWaalsContact O-N 3.17Å; Y182-K186 HydrophobicContact CD2-CD 3.78Å; Y182-K186 HydrophobicContact CD2-CG 4.07Å; Y182-K186 HydrophobicContact CE2-CD 3.61Å; Y182-K186 HydrophobicContact CE2-CG 4.4Å; Y182-K186 VanDerWaalsContact CE2-NZ 3.3Å; Y182-K186 PolarHBondContact O-N 3.3Å
183S97.8Very high97.8Very high0 Ų038.4 Ų38.40%020%0.201CC..Hα-helixtrans-57.4-27.2173.855.80000113.2N146 H181 K185 K186 A187N146-S183 PolarHBondContact ND2-OG 2.85Å; H181-S183 WeakPolarHBondContact ND1-CB 3.43Å; H181-S183 PolarHBondContact ND1-N 2.86Å; H181-S183 PolarHBondContact ND1-OG 2.72Å; H181-S183 PolarHBondContact O-N 2.81Å; S183-K185 VanDerWaalsContact C-N 3.33Å; S183-K185 PolarHBondContact O-N 2.91Å; S183-K186 PolarHBondContact O-N 3.07Å; S183-A187 WeakPolarHBondContact O-CB 3.16Å; S183-A187 PolarHBondContact O-N 2.6Å
184V98.4Very high97.8Very high5 Ų539.6 Ų39.63%0.0321%0.213CC..Hα-helixtrans-61-42.9175.465.30000111.7I174 A176 A180 H181 Y182 A187 A188 V198 W233I174-V184 HydrophobicContact CG2-CG2 3.96Å; A176-V184 HydrophobicContact CB-CB 4.5Å; A176-V184 HydrophobicContact CB-CG1 4.04Å; A176-V184 HydrophobicContact CB-CG2 4.05Å; A180-V184 HydrophobicContact CB-CG1 4.49Å; H181-V184 WeakPolarHBondContact O-CG1 3.26Å; H181-V184 PolarHBondContact O-N 2.71Å; H181-V184 VanDerWaalsContact O-N 3.1Å; Y182-V184 PolarHBondContact O-N 3.12Å; V184-A187 PolarHBondContact O-N 2.87Å; V184-A188 WeakPolarHBondContact O-CB 3.47Å; V184-A188 PolarHBondContact O-N 3.24Å; V184-V198 HydrophobicContact CG1-CG1 4.3Å; V184-V198 HydrophobicContact CG2-CG1 4.22Å; V184-V198 HydrophobicContact CG2-CG2 4.32Å; V184-W233 HydrophobicContact CB-CD2 3.96Å; V184-W233 HydrophobicContact CB-CE3 4.07Å; V184-W233 HydrophobicContact CB-CH2 4Å; V184-W233 HydrophobicContact CB-CZ2 3.97Å; V184-W233 HydrophobicContact CB-CZ3 4.1Å; V184-W233 HydrophobicContact CG2-CD2 3.75Å; V184-W233 HydrophobicContact CG2-CE3 3.55Å; V184-W233 HydrophobicContact CG2-CG 4.22Å; V184-W233 HydrophobicContact CG2-CH2 4.27Å; V184-W233 HydrophobicContact CG2-CZ3 3.85Å
185K98.2Very high97.7Very high102 Ų10243.3 Ų43.344%0.44324%0.236SC..Hα-helixtrans-70.5-39.7175.7-67.3-175.9-179.8178.70111.4Y182 S183 A187 A188 V189 V198Y182-K185 PolarHBondContact O-N 3.48Å; Y182-K185 VanDerWaalsContact O-N 3.17Å; S183-K185 VanDerWaalsContact C-N 3.33Å; S183-K185 PolarHBondContact O-N 2.91Å; K185-A187 VanDerWaalsContact C-N 3.32Å; K185-A187 PolarHBondContact O-N 2.92Å; K185-A188 PolarHBondContact O-N 3.46Å; K185-V189 WeakPolarHBondContact O-CG2 3.32Å; K185-V189 PolarHBondContact O-N 2.91Å; K185-V198 HydrophobicContact CG-CG1 4.38Å; K185-V198 HydrophobicContact CG-CG2 4.44Å
186K98.3Very high97.6Very high111 Ų11149.7 Ų49.748%0.48327%0.266SS..Hα-helixtrans-60.9-42.4173.5-71.6-169.7176.4-178.30111.7M147 Y182 S183 V189 F190M147-K186 HydrophobicContact CE-CB 4.38Å; Y182-K186 HydrophobicContact CD2-CD 3.78Å; Y182-K186 HydrophobicContact CD2-CG 4.07Å; Y182-K186 HydrophobicContact CE2-CD 3.61Å; Y182-K186 HydrophobicContact CE2-CG 4.4Å; Y182-K186 VanDerWaalsContact CE2-NZ 3.3Å; Y182-K186 PolarHBondContact O-N 3.3Å; S183-K186 PolarHBondContact O-N 3.07Å; K186-V189 PolarHBondContact O-N 2.82Å; K186-F190 WeakPolarHBondContact O-CB 3.36Å; K186-F190 PolarHBondContact O-N 3.49Å
187A98.3Very high97.6Very high0 Ų049.7 Ų49.70%027%0.266CS..Hα-helixtrans-62.6-47.2176.700000110.7M147 L150 S183 V184 K185 V189 F190 M191 W233M147-A187 HydrophobicContact CE-CB 4.38Å; M147-A187 HydrophobicContact CG-CB 3.67Å; L150-A187 HydrophobicContact CD2-CB 3.98Å; S183-A187 WeakPolarHBondContact O-CB 3.16Å; S183-A187 PolarHBondContact O-N 2.6Å; V184-A187 PolarHBondContact O-N 2.87Å; K185-A187 VanDerWaalsContact C-N 3.32Å; K185-A187 PolarHBondContact O-N 2.92Å; A187-V189 VanDerWaalsContact C-N 3.34Å; A187-V189 PolarHBondContact O-N 3.07Å; A187-F190 PolarHBondContact O-N 3.4Å; A187-M191 HydrophobicContact CB-CE 3.59Å; A187-M191 WeakPolarHBondContact O-CB 3.47Å; A187-M191 VanDerWaalsContact O-CE 3.29Å; A187-M191 WeakPolarHBondContact O-CE 3.3Å; A187-M191 PolarHBondContact O-N 3.47Å; A187-W233 HydrophobicContact CB-CH2 4.35Å; A187-W233 HydrophobicContact CB-CZ3 4.5Å
188A98.3Very high97.7Very high0 Ų050.1 Ų50.10%027%0.269CS..Hα-helixtrans-58.3-43.8176.500000112.5I174 V184 K185 G192 F193 G194 V198I174-A188 HydrophobicContact CD1-CB 4.37Å; V184-A188 WeakPolarHBondContact O-CB 3.47Å; V184-A188 PolarHBondContact O-N 3.24Å; K185-A188 PolarHBondContact O-N 3.46Å; A188-G192 PolarHBondContact O-N 3.17Å; A188-F193 HydrophobicContact CB-CB 4.1Å; A188-F193 WeakPolarHBondContact O-CA 2.97Å; A188-F193 WeakPolarHBondContact O-CB 3.32Å; A188-F193 PolarHBondContact O-N 3.11Å; A188-G194 PolarHBondContact O-N 3.24Å; A188-V198 HydrophobicContact CB-CG2 3.6Å
189V98Very high97.7Very high89 Ų8949.3 Ų49.354%0.53926%0.259SS..Hα-helixtrans-66.5-53.3176.3173.10000111.2K185 K186 A187 M191 G192 T195K185-V189 WeakPolarHBondContact O-CG2 3.32Å; K185-V189 PolarHBondContact O-N 2.91Å; K186-V189 PolarHBondContact O-N 2.82Å; A187-V189 VanDerWaalsContact C-N 3.34Å; A187-V189 PolarHBondContact O-N 3.07Å; V189-M191 VanDerWaalsContact C-N 3.27Å; V189-M191 PolarHBondContact O-N 3.13Å; V189-G192 PolarHBondContact O-N 3.38Å; V189-T195 HydrophobicContact CG2-CG2 3.54Å
190F98Very high97.8Very high154 Ų15452 Ų5268%0.67528%0.277SS*.Hα-helixtrans-61.8-35.2-174.1-176.2-107.5000112.8M147 K186 A187M147-F190 HydrophobicContact CE-CB 4.18Å; M147-F190 HydrophobicContact CE-CD1 4.3Å; M147-F190 HydrophobicContact CE-CG 4.4Å; M147-F190 HydrophobicContact SD-CD1 3.9Å; M147-F190 HydrophobicContact SD-CE1 4.46Å; K186-F190 WeakPolarHBondContact O-CB 3.36Å; K186-F190 PolarHBondContact O-N 3.49Å; A187-F190 PolarHBondContact O-N 3.4Å
191M96.7Very high97.8Very high28 Ų2851.1 Ų51.114%0.13827%0.269CS..THydrogen-bonded Turntrans-94.26-178.7-72.2-176.6-73.200114.5M147 L150 R154 A187 V189 F193M147-M191 HydrophobicContact CB-CE 4.15Å; M147-M191 HydrophobicContact CB-SD 4.49Å; M147-M191 HydrophobicContact CG-CE 4.07Å; L150-M191 HydrophobicContact CB-CE 3.8Å; L150-M191 HydrophobicContact CD2-CE 3.52Å; L150-M191 HydrophobicContact CG-CE 3.85Å; R154-M191 PolarHBondContact NH1-O 3.46Å; R154-M191 VanDerWaalsContact NH1-O 3.14Å; A187-M191 HydrophobicContact CB-CE 3.59Å; A187-M191 WeakPolarHBondContact O-CB 3.47Å; A187-M191 VanDerWaalsContact O-CE 3.29Å; A187-M191 WeakPolarHBondContact O-CE 3.3Å; A187-M191 PolarHBondContact O-N 3.47Å; V189-M191 VanDerWaalsContact C-N 3.27Å; V189-M191 PolarHBondContact O-N 3.13Å; M191-F193 HydrophobicContact CB-CD2 3.82Å; M191-F193 HydrophobicContact CB-CE2 3.76Å; M191-F193 HydrophobicContact CE-CE2 4.32Å
192G96.9Very high97.9Very high53 Ų5356.7 Ų56.755%0.54629%0.289SS..THydrogen-bonded Turntrans82.112.1174.100000116L166 A188 V189L166-G192 VanDerWaalsContact CD1-C 3.5Å; L166-G192 WeakPolarHBondContact CD1-O 3.33Å; A188-G192 PolarHBondContact O-N 3.17Å; V189-G192 PolarHBondContact O-N 3.38Å
193F97.6Very high97.9Very high9 Ų951.5 Ų51.54%0.03927%0.272CS..  trans-73.6-33.8171.1-63.2-89.6000111.8L150 R154 L166 R171 M172 A188 M191 S197 F230L150-F193 HydrophobicContact CD2-CD2 4.32Å; L150-F193 HydrophobicContact CD2-CE2 4.01Å; L150-F193 HydrophobicContact CG-CE2 4Å; L150-F193 HydrophobicContact CG-CZ 4.22Å; R154-F193 HydrophobicContact CB-CZ 3.95Å; R154-F193 HydrophobicContact CG-CZ 4.16Å; L166-F193 HydrophobicContact CD1-CD1 4.06Å; L166-F193 HydrophobicContact CD1-CD2 4.45Å; L166-F193 HydrophobicContact CD1-CE1 4.33Å; L166-F193 HydrophobicContact CD1-CG 4.14Å; L166-F193 HydrophobicContact CD2-CE1 4.48Å; R171-F193 PolarHBondContact NH1-O 3.07Å; M172-F193 HydrophobicContact CB-CD1 4.14Å; M172-F193 HydrophobicContact CB-CE1 4.01Å; M172-F193 HydrophobicContact SD-CE1 4.07Å; A188-F193 HydrophobicContact CB-CB 4.1Å; A188-F193 WeakPolarHBondContact O-CA 2.97Å; A188-F193 WeakPolarHBondContact O-CB 3.32Å; A188-F193 PolarHBondContact O-N 3.11Å; M191-F193 HydrophobicContact CB-CD2 3.82Å; M191-F193 HydrophobicContact CB-CE2 3.76Å; M191-F193 HydrophobicContact CE-CE2 4.32Å; F193-S197 WeakPolarHBondContact O-CB 3.48Å; F193-S197 PolarHBondContact O-OG 3Å; F193-F230 HydrophobicContact CD1-CE1 4.36Å; F193-F230 HydrophobicContact CD1-CZ 4.33Å; F193-F230 AromaticContact CE1-CE1 3.97Å; F193-F230 HydrophobicContact CE1-CE1 3.97Å; F193-F230 HydrophobicContact CE1-CE2 4.44Å; F193-F230 AromaticContact CE1-CZ 3.6Å; F193-F230 HydrophobicContact CE1-CZ 3.6Å; F193-F230 AromaticContact CZ-CZ 3.93Å; F193-F230 HydrophobicContact CZ-CZ 3.93Å
194G97.2Very high97.8Very high25 Ų2554.5 Ų54.526%0.25829%0.288SS..  trans77.1156.9-172.200000113.3A188 E196 S197A188-G194 PolarHBondContact O-N 3.24Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 2.85Å; G194-S197 VanDerWaalsContact O-CB 3.31Å; G194-S197 WeakPolarHBondContact O-CB 3.13Å; G194-S197 PolarHBondContact O-N 3.11Å; G194-S197 VanDerWaalsContact O-N 3.12Å
195T97.7Very high97.6Very high78 Ų7862.2 Ų62.248%0.47932%0.317SS..G310 helixtrans-66.8-26.7-174.347.40000114V189 S197 V198V189-T195 HydrophobicContact CG2-CG2 3.54Å; T195-S197 PolarHBondContact O-N 3.2Å; T195-V198 PolarHBondContact O-N 2.94Å
196E97.2Very high97.4Very high135 Ų13559.9 Ų59.963%0.63131%0.309SS*.G310 helixtrans-68-16.5175.4-64.5-179.7163.100113.1R171 G194 V198R171-E196 IonicContact CZ-OE2 3.83Å; R171-E196 IonicContact NH2-OE2 3.96Å; R171-E196 PolarHBondContact NH2-OE2 3.45Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 2.85Å; E196-V198 PolarHBondContact O-N 3.24Å
197S98.2Very high97.2Very high2 Ų254.6 Ų54.61%0.01429%0.286CS..G310 helixtrans-77.5-6.1172-61.50000112.6R171 M172 I173 I174 F193 G194 T195R171-S197 WeakPolarHBondContact CD-OG 3.29Å; R171-S197 WeakPolarHBondContact CG-OG 3.4Å; M172-S197 WeakPolarHBondContact O-CB 3.48Å; I173-S197 WeakPolarHBondContact CA-O 3.49Å; I174-S197 PolarHBondContact N-O 3.08Å; F193-S197 WeakPolarHBondContact O-CB 3.48Å; F193-S197 PolarHBondContact O-OG 3Å; G194-S197 VanDerWaalsContact O-CB 3.31Å; G194-S197 WeakPolarHBondContact O-CB 3.13Å; G194-S197 PolarHBondContact O-N 3.11Å; G194-S197 VanDerWaalsContact O-N 3.12Å; T195-S197 PolarHBondContact O-N 3.2Å
198V98.7Very high97.1Very high14 Ų1454.7 Ų54.79%0.08529%0.287CS..EExtended strand (participates in β ladder)trans-103.4108.8175.4-175.30000109.5I174 A176 V184 K185 A188 T195 E196I174-V198 HydrophobicContact CD1-CG2 4.28Å; I174-V198 CarbonylContact O-C 3.55Å; I174-V198 WeakPolarHBondContact O-CA 3.42Å; A176-V198 HydrophobicContact CB-CG1 4.24Å; V184-V198 HydrophobicContact CG1-CG1 4.3Å; V184-V198 HydrophobicContact CG2-CG1 4.22Å; V184-V198 HydrophobicContact CG2-CG2 4.32Å; K185-V198 HydrophobicContact CG-CG1 4.38Å; K185-V198 HydrophobicContact CG-CG2 4.44Å; A188-V198 HydrophobicContact CB-CG2 3.6Å; T195-V198 PolarHBondContact O-N 2.94Å; E196-V198 PolarHBondContact O-N 3.24Å
199V98.7Very high97.1Very high26 Ų2654.7 Ų54.716%0.15829%0.287CS..EExtended strand (participates in β ladder)trans-86.8119.9170.3173.30000108.9I173 I174 F175 A176 V221I173-V199 HydrophobicContact CG2-CB 4.2Å; I173-V199 HydrophobicContact CG2-CG2 3.52Å; I174-V199 PolarHBondContact O-N 3.01Å; F175-V199 HydrophobicContact CD1-CB 3.83Å; F175-V199 HydrophobicContact CD1-CG1 3.88Å; F175-V199 HydrophobicContact CE1-CB 4.05Å; F175-V199 HydrophobicContact CE1-CG1 4.08Å; F175-V199 HydrophobicContact CE1-CG2 4.33Å; A176-V199 PolarHBondContact N-O 2.65Å; V199-V221 HydrophobicContact CG2-CG2 4.13Å
200T98.3Very high97.2Very high74 Ų7452.3 Ų52.345%0.45427%0.271SS..EExtended strand (participates in β ladder)trans-82.2116176.3-61.70000110.4A176 A178A176-T200 CarbonylContact O-C 3.33Å; A176-T200 WeakPolarHBondContact O-CA 3.34Å; A178-T200 VanDerWaalsContact CA-CG2 3.48Å; A178-T200 HydrophobicContact CB-CG2 3.73Å
201V98.7Very high97.2Very high0 Ų045.9 Ų45.90%024%0.244CC..EExtended strand (participates in β ladder)trans-90.9140178-1780000109.8F175 A176 S177 A178 M209 A213 L214F175-V201 HydrophobicContact CB-CG2 4.06Å; F175-V201 HydrophobicContact CD1-CG2 4.34Å; A176-V201 PolarHBondContact O-N 3.26Å; S177-V201 CarbonylContact C-O 3.58Å; S177-V201 WeakPolarHBondContact CA-O 3.37Å; A178-V201 PolarHBondContact N-O 3.45Å; V201-M209 HydrophobicContact CB-CG 4.11Å; V201-M209 HydrophobicContact CB-SD 4.29Å; V201-M209 HydrophobicContact CG1-CG 3.62Å; V201-M209 HydrophobicContact CG1-SD 4.09Å; V201-A213 HydrophobicContact CG1-CB 3.96Å; V201-L214 HydrophobicContact CG1-CB 4.04Å; V201-L214 HydrophobicContact CG2-CD1 4.05Å
202R98Very high97.3Very high150 Ų15047.7 Ų47.757%0.56626%0.263SS*.PPolyproline II helixtrans-61.5157.9177.3-67-176.3-72.5170.8-5.7111.6D210 A213 E216R202-D210 HydrophobicContact CB-CB 4.43Å; R202-D210 WeakPolarHBondContact O-CB 3.35Å; R202-D210 PolarHBondContact O-N 3.25Å; R202-A213 HydrophobicContact CB-CB 3.92Å; R202-E216 IonicContact NH2-OE2 3.48Å; R202-E216 PolarHBondContact NH2-OE2 3.27Å
203C97Very high97.4Very high26 Ų2645.2 Ų45.218%0.17624%0.238CC..BIsolated β-bridgetrans-118.4153.4178.2-69.50000111.2S177 Q179 S208S177-C203 VanDerWaalsContact CB-SG 3.54Å; Q179-C203 HydrophobicContact CG-CB 4.02Å; Q179-C203 VanDerWaalsContact CG-SG 3.59Å; C203-S208 CarbonylContact C-O 3.56Å; C203-S208 WeakPolarHBondContact CA-O 3.13Å; C203-S208 VanDerWaalsContact CB-O 3.3Å; C203-S208 WeakPolarHBondContact CB-O 3.41Å
204N95.8Very high97.4Very high64 Ų6444.8 Ų44.834%0.34224%0.236SC..  trans-69.7167.7163.5-61.4-47.7000110.7D206 G207 S208 Q452N204-D206 VanDerWaalsContact CB-OD1 3.31Å; N204-D206 WeakPolarHBondContact CB-OD1 3.15Å; N204-D206 PolarHBondContact O-N 3.27Å; N204-G207 PolarHBondContact O-N 3.49Å; N204-S208 WeakPolarHBondContact CB-OG 3.31Å; N204-S208 PolarHBondContact N-O 3.47Å; N204-S208 PolarHBondContact ND2-OG 2.84Å; N204-Q452 PolarHBondContact O-NE2 3.48Å
205R93.5Very high97.5Very high167 Ų16748.5 Ų48.563%0.6325%0.245SC*.THydrogen-bonded Turntrans-60.2-28.5-179.5-174.2173.9178.6166.72.2113.6G207 N395 Q452R205-G207 PolarHBondContact O-N 2.88Å; R205-N395 PolarHBondContact O-OD1 3.11Å; R205-Q452 PolarHBondContact O-OE1 2.97Å
206D94.1Very high97.5Very high52 Ų5250.4 Ų50.428%0.27825%0.248SC..THydrogen-bonded Turntrans-79.7-5.1177.373-18000113.3N204 S208 G243 N399N204-D206 VanDerWaalsContact CB-OD1 3.31Å; N204-D206 WeakPolarHBondContact CB-OD1 3.15Å; N204-D206 PolarHBondContact O-N 3.27Å; D206-S208 WeakPolarHBondContact OD1-CB 3.25Å; D206-S208 PolarHBondContact OD1-N 3.31Å; D206-S208 PolarHBondContact OD1-OG 2.94Å; D206-S208 PolarHBondContact OD2-OG 3.28Å; D206-G243 WeakPolarHBondContact O-CA 3.31Å; D206-N399 PolarHBondContact O-ND2 3.26Å; D206-N399 VanDerWaalsContact O-ND2 3.16Å
207G94.5Very high97.6Very high0 Ų045.1 Ų45.10%023%0.226CC..SBendtrans93.4-4.3-179.100000114.9N204 R205N204-G207 PolarHBondContact O-N 3.49Å; R205-G207 PolarHBondContact O-N 2.88Å
208S96.8Very high97.6Very high3 Ų345 Ų452%0.02123%0.225CC..  trans-69.8151.917563.80000111.6C203 N204 D206 Y244 D245C203-S208 CarbonylContact C-O 3.56Å; C203-S208 WeakPolarHBondContact CA-O 3.13Å; C203-S208 VanDerWaalsContact CB-O 3.3Å; C203-S208 WeakPolarHBondContact CB-O 3.41Å; N204-S208 WeakPolarHBondContact CB-OG 3.31Å; N204-S208 PolarHBondContact N-O 3.47Å; N204-S208 PolarHBondContact ND2-OG 2.84Å; D206-S208 WeakPolarHBondContact OD1-CB 3.25Å; D206-S208 PolarHBondContact OD1-N 3.31Å; D206-S208 PolarHBondContact OD1-OG 2.94Å; D206-S208 PolarHBondContact OD2-OG 3.28Å; S208-Y244 WeakPolarHBondContact CB-O 3.46Å; S208-D245 WeakPolarHBondContact CA-OD1 3.41Å
209M98.4Very high97.6Very high0 Ų046.2 Ų46.20%024%0.237CC..BIsolated β-bridgetrans-62.8132.6175.5-169.1-177.1-59.800111.3V201 I211 L214 V232 D245 I250V201-M209 HydrophobicContact CB-CG 4.11Å; V201-M209 HydrophobicContact CB-SD 4.29Å; V201-M209 HydrophobicContact CG1-CG 3.62Å; V201-M209 HydrophobicContact CG1-SD 4.09Å; M209-I211 PolarHBondContact O-N 3.3Å; M209-L214 HydrophobicContact SD-CB 4.19Å; M209-L214 HydrophobicContact SD-CD1 4.03Å; M209-L214 HydrophobicContact SD-CD2 3.87Å; M209-L214 HydrophobicContact SD-CG 4.25Å; M209-V232 HydrophobicContact CE-CG1 4.23Å; M209-V232 HydrophobicContact SD-CG1 4.34Å; M209-D245 HydrophobicContact CB-CB 4.4Å; M209-D245 WeakPolarHBondContact CB-OD1 3.2Å; M209-D245 PolarHBondContact N-OD1 3.26Å; M209-I250 HydrophobicContact CB-CD1 4.47Å; M209-I250 HydrophobicContact SD-CD1 4.14Å
210D98.4Very high97.6Very high38 Ų3849 Ų4920%0.20325%0.248CC..  trans-74.6115.5173.5177-21.8000109.8R202 A212 A213 L214R202-D210 HydrophobicContact CB-CB 4.43Å; R202-D210 WeakPolarHBondContact O-CB 3.35Å; R202-D210 PolarHBondContact O-N 3.25Å; D210-A212 PolarHBondContact O-N 2.83Å; D210-A212 WeakPolarHBondContact OD1-CA 3.21Å; D210-A212 WeakPolarHBondContact OD1-CB 3.48Å; D210-A212 PolarHBondContact OD1-N 3.14Å; D210-A213 HydrophobicContact CB-CB 3.83Å; D210-A213 PolarHBondContact O-N 2.97Å; D210-A213 PolarHBondContact OD1-N 2.91Å; D210-L214 PolarHBondContact O-N 3.23Å
211I98.7Very high97.6Very high19 Ų1945.7 Ų45.710%0.09723%0.228CC..Hα-helixtrans-65-35.8-177.2-60.1-57.3000112.5M209 L214 K215 C246 E249 I250 I253M209-I211 PolarHBondContact O-N 3.3Å; I211-L214 PolarHBondContact O-N 2.89Å; I211-K215 WeakPolarHBondContact O-CG 3.43Å; I211-K215 PolarHBondContact O-N 2.74Å; I211-K215 VanDerWaalsContact O-N 3.13Å; I211-C246 HydrophobicContact CD1-CB 4.21Å; I211-C246 HydrophobicContact CG1-CB 4.47Å; I211-E249 HydrophobicContact CD1-CB 4.04Å; I211-E249 HydrophobicContact CG1-CB 4.27Å; I211-E249 HydrophobicContact CG2-CB 4.46Å; I211-I250 HydrophobicContact CD1-CD1 4.19Å; I211-I250 HydrophobicContact CD1-CG1 3.56Å; I211-I253 HydrophobicContact CG2-CD1 3.81Å
212A98.7Very high97.5Very high66 Ų6649.8 Ų49.855%0.54525%0.25SC..Hα-helixtrans-69.2-42.8176.800000110.4D210 L214 K215 E216D210-A212 PolarHBondContact O-N 2.83Å; D210-A212 WeakPolarHBondContact OD1-CA 3.21Å; D210-A212 WeakPolarHBondContact OD1-CB 3.48Å; D210-A212 PolarHBondContact OD1-N 3.14Å; A212-L214 VanDerWaalsContact C-N 3.31Å; A212-L214 PolarHBondContact O-N 2.89Å; A212-K215 PolarHBondContact O-N 2.87Å; A212-E216 WeakPolarHBondContact O-CB 3.19Å; A212-E216 PolarHBondContact O-N 3.23Å
213A98.7Very high97.5Very high2 Ų249.9 Ų49.92%0.01725%0.254CS..Hα-helixtrans-64.3-33.9175.700000112.6V201 R202 D210 S217V201-A213 HydrophobicContact CG1-CB 3.96Å; R202-A213 HydrophobicContact CB-CB 3.92Å; D210-A213 HydrophobicContact CB-CB 3.83Å; D210-A213 PolarHBondContact O-N 2.97Å; D210-A213 PolarHBondContact OD1-N 2.91Å; A213-S217 WeakPolarHBondContact O-CB 3.47Å; A213-S217 PolarHBondContact O-N 2.93Å; A213-S217 PolarHBondContact O-OG 3.42Å
214L98.9Very high97.5Very high0 Ų051.4 Ų51.40%026%0.259CS..Hα-helixtrans-63.1-49.6173.2177.461.1000111F175 V201 M209 D210 I211 A212 E216 S217 I218 V232 I250 I253F175-L214 HydrophobicContact CB-CD1 3.79Å; F175-L214 HydrophobicContact CD1-CD1 4.44Å; F175-L214 HydrophobicContact CG-CD1 4.13Å; V201-L214 HydrophobicContact CG1-CB 4.04Å; V201-L214 HydrophobicContact CG2-CD1 4.05Å; M209-L214 HydrophobicContact SD-CB 4.19Å; M209-L214 HydrophobicContact SD-CD1 4.03Å; M209-L214 HydrophobicContact SD-CD2 3.87Å; M209-L214 HydrophobicContact SD-CG 4.25Å; D210-L214 PolarHBondContact O-N 3.23Å; I211-L214 PolarHBondContact O-N 2.89Å; A212-L214 VanDerWaalsContact C-N 3.31Å; A212-L214 PolarHBondContact O-N 2.89Å; L214-E216 VanDerWaalsContact C-N 3.34Å; L214-E216 PolarHBondContact O-N 3.06Å; L214-S217 PolarHBondContact O-N 2.95Å; L214-I218 HydrophobicContact CD1-CD1 3.86Å; L214-I218 HydrophobicContact CD1-CG1 4.22Å; L214-I218 HydrophobicContact CG-CD1 3.9Å; L214-I218 WeakPolarHBondContact O-CG1 3.24Å; L214-I218 PolarHBondContact O-N 2.95Å; L214-V232 HydrophobicContact CD1-CG1 4.18Å; L214-V232 HydrophobicContact CD1-CG2 4.26Å; L214-V232 HydrophobicContact CD2-CG1 4.15Å; L214-I250 HydrophobicContact CD2-CG1 4.02Å; L214-I250 HydrophobicContact CD2-CG2 4.18Å; L214-I253 HydrophobicContact CD2-CD1 3.97Å; L214-I253 HydrophobicContact CD2-CG2 4.36Å
215K98.7Very high97.4Very high102 Ų10253.5 Ų53.544%0.44328%0.279SS..Hα-helixtrans-59.6-44178-70.2173.5-176.11740111.6I211 A212 I218 A219 I253I211-K215 WeakPolarHBondContact O-CG 3.43Å; I211-K215 PolarHBondContact O-N 2.74Å; I211-K215 VanDerWaalsContact O-N 3.13Å; A212-K215 PolarHBondContact O-N 2.87Å; K215-I218 PolarHBondContact O-N 2.65Å; K215-A219 WeakPolarHBondContact O-CB 3.4Å; K215-A219 PolarHBondContact O-N 2.92Å; K215-I253 HydrophobicContact CD-CD1 4.38Å; K215-I253 HydrophobicContact CG-CD1 3.86Å; K215-I253 HydrophobicContact CG-CG1 4.34Å
216E98.6Very high97.6Very high119 Ų11950 Ų5056%0.55627%0.273SS*.Hα-helixtrans-58.5-47.9174.9-178.7-177-169.400111.4R202 A212 L214 I218 A219 E220R202-E216 IonicContact NH2-OE2 3.48Å; R202-E216 PolarHBondContact NH2-OE2 3.27Å; A212-E216 WeakPolarHBondContact O-CB 3.19Å; A212-E216 PolarHBondContact O-N 3.23Å; L214-E216 VanDerWaalsContact C-N 3.34Å; L214-E216 PolarHBondContact O-N 3.06Å; E216-I218 PolarHBondContact O-N 3.4Å; E216-A219 PolarHBondContact O-N 2.77Å; E216-E220 WeakPolarHBondContact O-CB 3.28Å; E216-E220 PolarHBondContact O-N 2.95Å
217S98.7Very high97.7Very high23 Ų2349.7 Ų49.716%0.16127%0.267CS..Hα-helixtrans-62.7-43.3-179.8-61.10000112.3A213 L214 E220 V221A213-S217 WeakPolarHBondContact O-CB 3.47Å; A213-S217 PolarHBondContact O-N 2.93Å; A213-S217 PolarHBondContact O-OG 3.42Å; L214-S217 PolarHBondContact O-N 2.95Å; S217-E220 PolarHBondContact O-N 3.27Å; S217-V221 WeakPolarHBondContact O-CG2 3.4Å; S217-V221 PolarHBondContact O-N 3.21Å
218I98.8Very high97.8Very high0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-63.8-46.4176.8-68.5165.7000110.3F175 L214 K215 E216 E220 V221 N222 I253 Y257 L259F175-I218 HydrophobicContact CD1-CG1 4.28Å; F175-I218 HydrophobicContact CD2-CG1 4.13Å; F175-I218 HydrophobicContact CE1-CG1 4.01Å; F175-I218 HydrophobicContact CE2-CG1 3.88Å; F175-I218 HydrophobicContact CG-CG1 4.34Å; F175-I218 HydrophobicContact CZ-CB 4.36Å; F175-I218 HydrophobicContact CZ-CG1 3.79Å; L214-I218 HydrophobicContact CD1-CD1 3.86Å; L214-I218 HydrophobicContact CD1-CG1 4.22Å; L214-I218 HydrophobicContact CG-CD1 3.9Å; L214-I218 WeakPolarHBondContact O-CG1 3.24Å; L214-I218 PolarHBondContact O-N 2.95Å; K215-I218 PolarHBondContact O-N 2.65Å; E216-I218 PolarHBondContact O-N 3.4Å; I218-E220 VanDerWaalsContact C-N 3.29Å; I218-E220 PolarHBondContact O-N 3.4Å; I218-V221 PolarHBondContact O-N 2.93Å; I218-N222 WeakPolarHBondContact O-CB 3.49Å; I218-N222 PolarHBondContact O-N 3.24Å; I218-N222 PolarHBondContact O-ND2 3.45Å; I218-I253 HydrophobicContact CD1-CG2 3.49Å; I218-I253 VanDerWaalsContact CD1-CG2 3.49Å; I218-Y257 HydrophobicContact CD1-CD2 4.26Å; I218-Y257 HydrophobicContact CD1-CE2 4.5Å; I218-Y257 HydrophobicContact CG2-CD1 3.81Å; I218-Y257 HydrophobicContact CG2-CD2 3.88Å; I218-Y257 HydrophobicContact CG2-CE1 3.84Å; I218-Y257 HydrophobicContact CG2-CE2 3.91Å; I218-Y257 HydrophobicContact CG2-CG 3.84Å; I218-L259 HydrophobicContact CD1-CD1 3.76Å; I218-L259 HydrophobicContact CG1-CD1 4.23Å
219A98.2Very high97.9Very high40 Ų4055.9 Ų55.933%0.33129%0.291SS..Hα-helixtrans-60.9-38.7178.400000111.9K215 E216 N222 K223K215-A219 WeakPolarHBondContact O-CB 3.4Å; K215-A219 PolarHBondContact O-N 2.92Å; E216-A219 PolarHBondContact O-N 2.77Å; A219-N222 PolarHBondContact O-N 3.22Å; A219-K223 WeakPolarHBondContact O-CG 3.11Å; A219-K223 PolarHBondContact O-N 3.16Å
220E98.3Very high97.8Very high85 Ų8555.9 Ų55.940%0.39729%0.291SS..Hα-helixtrans-68.3-43.4178.2-175.550.9-144.300112.6E216 S217 I218 N222 K223 Q224E216-E220 WeakPolarHBondContact O-CB 3.28Å; E216-E220 PolarHBondContact O-N 2.95Å; S217-E220 PolarHBondContact O-N 3.27Å; I218-E220 VanDerWaalsContact C-N 3.29Å; I218-E220 PolarHBondContact O-N 3.4Å; E220-N222 VanDerWaalsContact C-N 3.31Å; E220-N222 PolarHBondContact O-N 2.74Å; E220-K223 WeakPolarHBondContact O-CB 3.14Å; E220-K223 PolarHBondContact O-N 3.12Å; E220-K223 IonicContact OE2-NZ 3.03Å; E220-K223 PolarHBondContact OE2-NZ 3.48Å; E220-Q224 PolarHBondContact OE1-NE2 3.32Å
221V98.2Very high97.8Very high4 Ų454.1 Ų54.12%0.02428%0.282CS..Hα-helixtrans-64.1-38176.1176.70000111.3I173 F175 V199 S217 I218 K223 Q224 R227 P229I173-V221 HydrophobicContact CB-CG1 4.07Å; I173-V221 HydrophobicContact CG1-CG1 3.66Å; I173-V221 HydrophobicContact CG2-CG1 4.31Å; I173-V221 HydrophobicContact CG2-CG2 4.16Å; F175-V221 HydrophobicContact CE1-CG2 3.84Å; F175-V221 HydrophobicContact CZ-CB 4.04Å; F175-V221 HydrophobicContact CZ-CG1 4.43Å; F175-V221 HydrophobicContact CZ-CG2 3.8Å; V199-V221 HydrophobicContact CG2-CG2 4.13Å; S217-V221 WeakPolarHBondContact O-CG2 3.4Å; S217-V221 PolarHBondContact O-N 3.21Å; I218-V221 PolarHBondContact O-N 2.93Å; V221-K223 PolarHBondContact O-N 3.41Å; V221-K223 VanDerWaalsContact O-N 3.16Å; V221-Q224 WeakPolarHBondContact O-CB 3.48Å; V221-Q224 PolarHBondContact O-N 3.14Å; V221-R227 HydrophobicContact CG1-CB 3.93Å; V221-P229 HydrophobicContact CB-CG 4.06Å; V221-P229 HydrophobicContact CG1-CG 3.69Å
222N97.3Very high97.9Very high85 Ų8553.2 Ų53.246%0.45528%0.277SS..Hα-helixtrans-64.1-16.3177.9-80.5-28.2000114.3I218 A219 E220 Q224 P229I218-N222 WeakPolarHBondContact O-CB 3.49Å; I218-N222 PolarHBondContact O-N 3.24Å; I218-N222 PolarHBondContact O-ND2 3.45Å; A219-N222 PolarHBondContact O-N 3.22Å; E220-N222 VanDerWaalsContact C-N 3.31Å; E220-N222 PolarHBondContact O-N 2.74Å; N222-Q224 VanDerWaalsContact C-N 3.31Å; N222-P229 VanDerWaalsContact OD1-CD 3.28Å; N222-P229 WeakPolarHBondContact OD1-CD 3.4Å; N222-P229 VanDerWaalsContact OD1-CG 3.24Å; N222-P229 WeakPolarHBondContact OD1-CG 3.31Å
223K97.5Very high97.9Very high152 Ų15250 Ų5066%0.66125%0.251SS*.THydrogen-bonded Turntrans-80-13173.2-62.7169.4-160.6162.70113A219 E220 V221A219-K223 WeakPolarHBondContact O-CG 3.11Å; A219-K223 PolarHBondContact O-N 3.16Å; E220-K223 WeakPolarHBondContact O-CB 3.14Å; E220-K223 PolarHBondContact O-N 3.12Å; E220-K223 IonicContact OE2-NZ 3.03Å; E220-K223 PolarHBondContact OE2-NZ 3.48Å; V221-K223 PolarHBondContact O-N 3.41Å; V221-K223 VanDerWaalsContact O-N 3.16Å
224Q96.3Very high97.9Very high59 Ų5950 Ų5028%0.27625%0.25SS..  trans-102.7115-171.6-60.9173.628.800109.6E220 V221 N222 D226 R227E220-Q224 PolarHBondContact OE1-NE2 3.32Å; V221-Q224 WeakPolarHBondContact O-CB 3.48Å; V221-Q224 PolarHBondContact O-N 3.14Å; N222-Q224 VanDerWaalsContact C-N 3.31Å; Q224-D226 VanDerWaalsContact C-N 3.27Å; Q224-D226 PolarHBondContact O-N 3.36Å; Q224-R227 HydrophobicContact CB-CB 4.33Å; Q224-R227 HydrophobicContact CB-CG 4.48Å; Q224-R227 PolarHBondContact O-N 3.25Å; Q224-R227 VanDerWaalsContact O-O 3.08Å
225S95Very high97.9Very high108 Ų10850.1 Ų50.176%0.75525%0.251SS*.THydrogen-bonded Turntrans-72.3-15.8-171.957.60000114.6Q170Q170-S225 PolarHBondContact NE2-O 3.13Å
226D96.2Very high97.9Very high94 Ų9445.3 Ų45.350%0.50323%0.23SC..THydrogen-bonded Turntrans-91.3-6.5178.468.2-48000113.1Q170 R171 Q224Q170-D226 WeakPolarHBondContact CA-O 3.49Å; R171-D226 PolarHBondContact N-O 2.89Å; Q224-D226 VanDerWaalsContact C-N 3.27Å; Q224-D226 PolarHBondContact O-N 3.36Å
227R97.5Very high97.8Very high45 Ų4539.9 Ų39.917%0.1721%0.206CC..EExtended strand (participates in β ladder)trans-123.9153.9-176-62.3175.272.9-169.71.5110.9R171 I173 V221 Q224R171-R227 HydrophobicContact CB-CG 4.31Å; R171-R227 WeakPolarHBondContact O-CA 3.48Å; I173-R227 HydrophobicContact CD1-CB 4.24Å; I173-R227 HydrophobicContact CD1-CG 4.22Å; I173-R227 HydrophobicContact CG1-CB 3.91Å; I173-R227 HydrophobicContact CG1-CG 4.42Å; V221-R227 HydrophobicContact CG1-CB 3.93Å; Q224-R227 HydrophobicContact CB-CB 4.33Å; Q224-R227 HydrophobicContact CB-CG 4.48Å; Q224-R227 PolarHBondContact O-N 3.25Å; Q224-R227 VanDerWaalsContact O-O 3.08Å
228R96.2Very high97.7Very high126 Ų12638.8 Ų38.848%0.47520%0.198SC..EExtended strand (participates in β ladder)trans-145.4120179-162.8171.7177.3-158.8-17.6111.4Y157 Q170 R171 M172 I173 F230Y157-R228 WeakPolarHBondContact OH-CD 3.35Å; Y157-R228 VanDerWaalsContact OH-CG 3.25Å; Y157-R228 WeakPolarHBondContact OH-CG 3.12Å; Y157-R228 PolarHBondContact OH-NE 3.11Å; Y157-R228 PolarHBondContact OH-NH2 3.17Å; Q170-R228 HydrophobicContact CB-CB 4.27Å; R171-R228 PolarHBondContact O-N 2.93Å; M172-R228 CarbonylContact C-O 3.56Å; M172-R228 WeakPolarHBondContact CA-O 3.3Å; I173-R228 PolarHBondContact N-O 3.28Å; R228-F230 PolarHBondContact O-N 3.5Å
229P98.1Very high97.6Very high7 Ų740.6 Ų40.65%0.04521%0.21CC..EExtended strand (participates in β ladder)trans-53.5133.8168.7-3243.9000111.2Y157 F175 V221 N222 L259Y157-P229 PolarHBondContact OH-O 3.27Å; F175-P229 HydrophobicContact CE2-CB 3.74Å; F175-P229 HydrophobicContact CE2-CG 4.15Å; F175-P229 HydrophobicContact CZ-CB 4.18Å; F175-P229 HydrophobicContact CZ-CG 4.08Å; V221-P229 HydrophobicContact CB-CG 4.06Å; V221-P229 HydrophobicContact CG1-CG 3.69Å; N222-P229 VanDerWaalsContact OD1-CD 3.28Å; N222-P229 WeakPolarHBondContact OD1-CD 3.4Å; N222-P229 VanDerWaalsContact OD1-CG 3.24Å; N222-P229 WeakPolarHBondContact OD1-CG 3.31Å; P229-L259 HydrophobicContact CB-CD1 4.44Å; P229-L259 HydrophobicContact CB-CD2 3.43Å; P229-L259 VanDerWaalsContact CB-CD2 3.43Å
230F97.3Very high97.4Very high0 Ų039.5 Ų39.50%020%0.199CC..EExtended strand (participates in β ladder)trans-139-26.6172.589-80.9000115L150 A153 Y157 M172 I173 I174 F193 R228 W260L150-F230 HydrophobicContact CD1-CE2 3.71Å; L150-F230 HydrophobicContact CD1-CZ 3.41Å; L150-F230 VanDerWaalsContact CD1-CZ 3.41Å; L150-F230 HydrophobicContact CG-CZ 4.47Å; A153-F230 HydrophobicContact CB-CE2 4.16Å; Y157-F230 HydrophobicContact CD1-CB 4.42Å; Y157-F230 HydrophobicContact CD2-CB 4.05Å; Y157-F230 HydrophobicContact CE1-CB 4.28Å; Y157-F230 HydrophobicContact CE2-CB 3.89Å; Y157-F230 HydrophobicContact CG-CB 4.28Å; M172-F230 VanDerWaalsContact C-CD1 3.5Å; M172-F230 HydrophobicContact CB-CD1 3.47Å; M172-F230 VanDerWaalsContact CB-CD1 3.47Å; M172-F230 HydrophobicContact CB-CE1 3.58Å; M172-F230 HydrophobicContact CB-CG 4.11Å; M172-F230 HydrophobicContact CB-CZ 4.37Å; M172-F230 HydrophobicContact CG-CD1 4.45Å; I173-F230 VanDerWaalsContact C-CD1 3.47Å; I173-F230 WeakPolarHBondContact O-CD1 3.21Å; I173-F230 PolarHBondContact O-N 2.91Å; I174-F230 HydrophobicContact CB-CE1 4.41Å; I174-F230 HydrophobicContact CD1-CE1 4.18Å; I174-F230 HydrophobicContact CD1-CZ 4.15Å; I174-F230 HydrophobicContact CG1-CD1 4.31Å; I174-F230 HydrophobicContact CG1-CE1 3.27Å; I174-F230 HydrophobicContact CG1-CZ 3.57Å; F193-F230 HydrophobicContact CD1-CE1 4.36Å; F193-F230 HydrophobicContact CD1-CZ 4.33Å; F193-F230 AromaticContact CE1-CE1 3.97Å; F193-F230 HydrophobicContact CE1-CE1 3.97Å; F193-F230 HydrophobicContact CE1-CE2 4.44Å; F193-F230 AromaticContact CE1-CZ 3.6Å; F193-F230 HydrophobicContact CE1-CZ 3.6Å; F193-F230 AromaticContact CZ-CZ 3.93Å; F193-F230 HydrophobicContact CZ-CZ 3.93Å; R228-F230 PolarHBondContact O-N 3.5Å; F230-W260 WeakPolarHBondContact O-CB 3.32Å; F230-W260 PolarHBondContact O-N 2.93Å
231C98.8Very high97.3Very high0 Ų035.6 Ų35.60%018%0.181CC..EExtended strand (participates in β ladder)trans-143.3135.2-173.6-177.80000111.6L150 I173 I174 F175 W260L150-C231 HydrophobicContact CD1-CB 4.5Å; I173-C231 PolarHBondContact O-N 2.98Å; I174-C231 CarbonylContact C-O 3.33Å; I174-C231 WeakPolarHBondContact CA-O 3.44Å; I174-C231 HydrophobicContact CG2-CB 4.44Å; F175-C231 PolarHBondContact N-O 3.43Å; C231-W260 CarbonylContact C-O 3.5Å; C231-W260 VanDerWaalsContact CA-O 3.29Å; C231-W260 WeakPolarHBondContact CA-O 3.43Å; C231-W260 HydrophobicContact CB-CB 4.38Å
232V98.9Very high97.2Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-104.4123.2161.2-173.70000108.3F175 M209 L214 I250 C254 L259 W260 H262F175-V232 HydrophobicContact CB-CG2 4.4Å; F175-V232 HydrophobicContact CD2-CG2 4.38Å; M209-V232 HydrophobicContact CE-CG1 4.23Å; M209-V232 HydrophobicContact SD-CG1 4.34Å; L214-V232 HydrophobicContact CD1-CG1 4.18Å; L214-V232 HydrophobicContact CD1-CG2 4.26Å; L214-V232 HydrophobicContact CD2-CG1 4.15Å; V232-I250 HydrophobicContact CB-CG2 4.16Å; V232-I250 HydrophobicContact CG1-CG2 3.62Å; V232-C254 VanDerWaalsContact CG2-SG 3.55Å; V232-L259 HydrophobicContact CG2-CB 4.47Å; V232-L259 HydrophobicContact CG2-CD1 3.81Å; V232-W260 PolarHBondContact N-O 3.33Å; V232-H262 PolarHBondContact O-N 3.14Å
233W98.8Very high97.2Very high0 Ų031.3 Ų31.30%016%0.158CC..EExtended strand (participates in β ladder)trans-99.297.2177.1-171.6-56.5000108.9N146 L150 I174 F175 A176 V184 A187 H262N146-W233 HydrophobicContact CB-CH2 3.5Å; N146-W233 VanDerWaalsContact CB-CH2 3.5Å; N146-W233 HydrophobicContact CB-CZ2 3.49Å; N146-W233 VanDerWaalsContact CB-CZ2 3.49Å; N146-W233 VanDerWaalsContact CG-CZ2 3.49Å; L150-W233 HydrophobicContact CB-CZ3 4.2Å; L150-W233 HydrophobicContact CD2-CZ3 4.14Å; I174-W233 HydrophobicContact CG2-CB 4.15Å; I174-W233 HydrophobicContact CG2-CE3 4.45Å; F175-W233 PolarHBondContact O-N 2.97Å; A176-W233 HydrophobicContact CB-CB 4.06Å; V184-W233 HydrophobicContact CB-CD2 3.96Å; V184-W233 HydrophobicContact CB-CE3 4.07Å; V184-W233 HydrophobicContact CB-CH2 4Å; V184-W233 HydrophobicContact CB-CZ2 3.97Å; V184-W233 HydrophobicContact CB-CZ3 4.1Å; V184-W233 HydrophobicContact CG2-CD2 3.75Å; V184-W233 HydrophobicContact CG2-CE3 3.55Å; V184-W233 HydrophobicContact CG2-CG 4.22Å; V184-W233 HydrophobicContact CG2-CH2 4.27Å; V184-W233 HydrophobicContact CG2-CZ3 3.85Å; A187-W233 HydrophobicContact CB-CH2 4.35Å; A187-W233 HydrophobicContact CB-CZ3 4.5Å; W233-H262 AromaticContact CD2-CD2 3.8Å; W233-H262 AromaticContact CE2-CD2 3.89Å
234C98.9Very high97.2Very high0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-78.4151.8174.5-51.90000110.4D245 L247 I250 H262 V263 D264C234-D245 VanDerWaalsContact CA-OD2 3.29Å; C234-D245 WeakPolarHBondContact CA-OD2 3.43Å; C234-D245 HydrophobicContact CB-CB 4.38Å; C234-L247 HydrophobicContact CB-CD2 3.61Å; C234-I250 VanDerWaalsContact SG-CG2 3.52Å; C234-H262 WeakPolarHBondContact CB-O 3.31Å; C234-H262 PolarHBondContact N-O 3.07Å; C234-V263 HydrophobicContact CB-CG2 4.16Å; C234-D264 WeakPolarHBondContact O-CB 3.27Å; C234-D264 PolarHBondContact O-N 3.5Å
235T98.8Very high97.3Very high4 Ų422.5 Ų22.53%0.02512%0.118CC..EExtended strand (participates in β ladder)trans-124123.9172.1-52.60000109.8T238 D245 D264T235-T238 HydrophobicContact CG2-CG2 3.78Å; T235-D245 PolarHBondContact N-OD2 2.92Å; T235-D245 PolarHBondContact O-N 3.32Å; T235-D264 WeakPolarHBondContact CA-O 3.31Å
236S98.5Very high97.5Very high0 Ų019.8 Ų19.80%010%0.099CC..BIsolated β-bridgetrans-110.3108.2171.4-62.30000108.7D264 G268S236-D264 PolarHBondContact N-O 3.43Å; S236-G268 WeakPolarHBondContact O-CA 3.48Å; S236-G268 PolarHBondContact O-N 3.37Å
237G97.2Very high97.6Very high5 Ų515.4 Ų15.45%0.0528%0.075CC..SBendtrans84.871.3-169.700000111.8N242 G243G237-N242 WeakPolarHBondContact CA-OD1 3.21Å; G237-G243 CarbonylContact C-O 3.5Å; G237-G243 VanDerWaalsContact CA-O 3.28Å; G237-G243 WeakPolarHBondContact CA-O 3.49Å; G237-G243 PolarHBondContact N-O 3.03Å
238T97.2Very high97.7Very high0 Ų016.4 Ų16.40%08%0.084CC..  trans-58.1148.8176.256.60000111.7Q179 T235 V240 N242 G243Q179-T238 HydrophobicContact CB-CG2 3.85Å; T235-T238 HydrophobicContact CG2-CG2 3.78Å; T238-V240 VanDerWaalsContact C-N 3.3Å; T238-V240 PolarHBondContact O-N 2.95Å; T238-N242 WeakPolarHBondContact O-CA 3.4Å; T238-N242 PolarHBondContact O-N 3.43Å; T238-N242 PolarHBondContact OG1-N 3.33Å; T238-G243 PolarHBondContact N-O 2.99Å; T238-G243 PolarHBondContact OG1-N 3.08Å
239T95.9Very high97.8Very high39 Ų3915.3 Ų15.324%0.2398%0.084CC..THydrogen-bonded Turntrans-60.5-40.3-170.2-66.90000112.4L83 R459L83-T239 HydrophobicContact CD1-CG2 4.14Å; T239-R459 WeakPolarHBondContact O-CD 3.48Å; T239-R459 PolarHBondContact O-NH1 3.42Å
240V95.6Very high97.8Very high16 Ų1615 Ų1510%0.0978%0.082CC..THydrogen-bonded Turntrans-88.6-59.5-174.4177.70000111T238 C404 Q447 L449 F457 R459T238-V240 VanDerWaalsContact C-N 3.3Å; T238-V240 PolarHBondContact O-N 2.95Å; V240-C404 PolarHBondContact O-SG 3.42Å; V240-Q447 HydrophobicContact CG1-CB 3.69Å; V240-Q447 HydrophobicContact CG1-CG 4Å; V240-Q447 HydrophobicContact CG2-CB 4.44Å; V240-Q447 HydrophobicContact CG2-CG 4.33Å; V240-L449 HydrophobicContact CB-CD1 4.39Å; V240-L449 HydrophobicContact CB-CD2 4.33Å; V240-L449 HydrophobicContact CG1-CD1 3.83Å; V240-L449 HydrophobicContact CG1-CD2 4.15Å; V240-L449 HydrophobicContact CG1-CG 3.98Å; V240-L449 HydrophobicContact CG2-CD2 4.22Å; V240-F457 HydrophobicContact CG1-CE2 3.7Å; V240-F457 HydrophobicContact CG1-CZ 3.42Å; V240-F457 VanDerWaalsContact CG1-CZ 3.42Å; V240-R459 WeakPolarHBondContact O-CD 3.12Å
241L96.1Very high97.9Very high3 Ų315 Ų152%0.0168%0.083CC..THydrogen-bonded Turntrans-93.4-7-171.5-60.8177.5000114.1G243 V394 L449 F457L241-G243 PolarHBondContact O-N 2.99Å; L241-G243 VanDerWaalsContact O-N 3.16Å; L241-V394 HydrophobicContact CD2-CG1 4.06Å; L241-L449 HydrophobicContact CD1-CD1 3.63Å; L241-L449 HydrophobicContact CD2-CD1 3.89Å; L241-L449 HydrophobicContact CG-CD1 3.66Å; L241-F457 HydrophobicContact CD2-CE2 4.43Å; L241-F457 HydrophobicContact CD2-CZ 4.12Å
242N96.2Very high97.9Very high0 Ų017.2 Ų17.20%010%0.101CC..  trans5528.1-174.6-156.722.2000113.7G237 T238 Y244 L267 N399 C401 S402G237-N242 WeakPolarHBondContact CA-OD1 3.21Å; T238-N242 WeakPolarHBondContact O-CA 3.4Å; T238-N242 PolarHBondContact O-N 3.43Å; T238-N242 PolarHBondContact OG1-N 3.33Å; N242-Y244 VanDerWaalsContact O-CD2 3.25Å; N242-Y244 WeakPolarHBondContact O-CD2 3.45Å; N242-Y244 WeakPolarHBondContact O-CE2 3.24Å; N242-L267 VanDerWaalsContact OD1-CD2 3.28Å; N242-L267 WeakPolarHBondContact OD1-CD2 3.2Å; N242-N399 HydrophobicContact CB-CB 4.48Å; N242-N399 WeakPolarHBondContact CB-O 3.41Å; N242-N399 PolarHBondContact ND2-O 2.93Å; N242-N399 VanDerWaalsContact O-CB 3.24Å; N242-N399 WeakPolarHBondContact O-CB 3.18Å; N242-C401 PolarHBondContact ND2-N 2.87Å; N242-C401 VanDerWaalsContact ND2-N 3.13Å; N242-S402 PolarHBondContact ND2-N 2.77Å; N242-S402 PolarHBondContact ND2-OG 3.39Å
243G96.6Very high97.9Very high0 Ų017.7 Ų17.70%010%0.103CC..  trans-70.7157.917600000112.7D206 G237 T238 L241D206-G243 WeakPolarHBondContact O-CA 3.31Å; G237-G243 CarbonylContact C-O 3.5Å; G237-G243 VanDerWaalsContact CA-O 3.28Å; G237-G243 WeakPolarHBondContact CA-O 3.49Å; G237-G243 PolarHBondContact N-O 3.03Å; T238-G243 PolarHBondContact N-O 2.99Å; T238-G243 PolarHBondContact OG1-N 3.08Å; L241-G243 PolarHBondContact O-N 2.99Å; L241-G243 VanDerWaalsContact O-N 3.16Å
244Y98.1Very high97.9Very high21 Ų2118 Ų188%0.08211%0.105CC..BIsolated β-bridgetrans-122.7123.9-177-70.1-107.4000109.2S208 N242 G268 L280 M281S208-Y244 WeakPolarHBondContact CB-O 3.46Å; N242-Y244 VanDerWaalsContact O-CD2 3.25Å; N242-Y244 WeakPolarHBondContact O-CD2 3.45Å; N242-Y244 WeakPolarHBondContact O-CE2 3.24Å; Y244-G268 WeakPolarHBondContact OH-CA 3.48Å; Y244-L280 WeakPolarHBondContact CB-O 3.38Å; Y244-L280 HydrophobicContact CD1-CB 3.9Å; Y244-L280 WeakPolarHBondContact CD1-O 3.21Å; Y244-L280 HydrophobicContact CD2-CB 4.38Å; Y244-L280 HydrophobicContact CE1-CB 3.84Å; Y244-L280 HydrophobicContact CE2-CB 4.35Å; Y244-L280 HydrophobicContact CE2-CD1 4.06Å; Y244-L280 HydrophobicContact CG-CB 4.18Å; Y244-M281 HydrophobicContact CD1-CG 3.94Å; Y244-M281 HydrophobicContact CE1-CG 3.85Å
245D98.6Very high97.9Very high4 Ų424 Ų242%0.02113%0.133CC..  trans-64146173.9-68.6-12.8000111.3S208 M209 C234 T235 L247 I250S208-D245 WeakPolarHBondContact CA-OD1 3.41Å; M209-D245 HydrophobicContact CB-CB 4.4Å; M209-D245 WeakPolarHBondContact CB-OD1 3.2Å; M209-D245 PolarHBondContact N-OD1 3.26Å; C234-D245 VanDerWaalsContact CA-OD2 3.29Å; C234-D245 WeakPolarHBondContact CA-OD2 3.43Å; C234-D245 HydrophobicContact CB-CB 4.38Å; T235-D245 PolarHBondContact N-OD2 2.92Å; T235-D245 PolarHBondContact O-N 3.32Å; D245-L247 VanDerWaalsContact C-N 3.31Å; D245-L247 HydrophobicContact CB-CD2 4.17Å; D245-L247 WeakPolarHBondContact O-CG 3.5Å; D245-L247 PolarHBondContact O-N 3.45Å; D245-I250 HydrophobicContact CB-CD1 3.78Å
246C98.3Very high97.9Very high52 Ų5230.6 Ų30.635%0.35116%0.164SC..  trans-72.282.1176.9-600000110.9I211 D248 E249 I250I211-C246 HydrophobicContact CD1-CB 4.21Å; I211-C246 HydrophobicContact CG1-CB 4.47Å; C246-D248 VanDerWaalsContact C-N 3.33Å; C246-D248 PolarHBondContact O-N 2.88Å; C246-E249 HydrophobicContact CB-CB 4.38Å; C246-E249 PolarHBondContact O-N 3.1Å; C246-I250 WeakPolarHBondContact O-CG1 3.35Å; C246-I250 PolarHBondContact O-N 2.94Å; C246-I250 VanDerWaalsContact O-N 3.09Å
247L98.9Very high97.8Very high1 Ų134.7 Ų34.71%0.00518%0.18CC..Hα-helixtrans-60.9-37.9-169.6-55.6-175.4000112.8C234 D245 E249 I250 A251 M261 V263 N282C234-L247 HydrophobicContact CB-CD2 3.61Å; D245-L247 VanDerWaalsContact C-N 3.31Å; D245-L247 HydrophobicContact CB-CD2 4.17Å; D245-L247 WeakPolarHBondContact O-CG 3.5Å; D245-L247 PolarHBondContact O-N 3.45Å; L247-E249 PolarHBondContact O-N 3.19Å; L247-I250 PolarHBondContact O-N 3.07Å; L247-A251 VanDerWaalsContact O-CB 3.23Å; L247-A251 WeakPolarHBondContact O-CB 3.43Å; L247-A251 PolarHBondContact O-N 3.48Å; L247-M261 HydrophobicContact CB-CE 3.64Å; L247-M261 HydrophobicContact CD2-CE 3.79Å; L247-M261 HydrophobicContact CG-CE 4.21Å; L247-M261 WeakPolarHBondContact O-CE 3.49Å; L247-V263 HydrophobicContact CD1-CG1 4.03Å; L247-V263 HydrophobicContact CD1-CG2 4.12Å; L247-V263 HydrophobicContact CD2-CG1 4.35Å; L247-V263 HydrophobicContact CD2-CG2 4Å; L247-N282 WeakPolarHBondContact CB-O 3.36Å
248D98.6Very high97.9Very high66 Ų6637 Ų3735%0.35320%0.204SC..Hα-helixtrans-60.6-42.9177.5-90.4-43.5000113.9C246 A252 G283 R286C246-D248 VanDerWaalsContact C-N 3.33Å; C246-D248 PolarHBondContact O-N 2.88Å; D248-A252 PolarHBondContact O-N 2.92Å; D248-G283 VanDerWaalsContact OD1-CA 3.24Å; D248-G283 WeakPolarHBondContact OD1-CA 3.19Å; D248-R286 PolarHBondContact O-NH1 3.3Å; D248-R286 IonicContact OD1-NH1 3.81Å; D248-R286 PolarHBondContact OD1-NH1 2.94Å
249E98.7Very high97.9Very high103 Ų10337.6 Ų37.648%0.48121%0.207SC..Hα-helixtrans-71.1-40178-70.3-169.4-119.700111.2I211 C246 L247 A252 I253I211-E249 HydrophobicContact CD1-CB 4.04Å; I211-E249 HydrophobicContact CG1-CB 4.27Å; I211-E249 HydrophobicContact CG2-CB 4.46Å; C246-E249 HydrophobicContact CB-CB 4.38Å; C246-E249 PolarHBondContact O-N 3.1Å; L247-E249 PolarHBondContact O-N 3.19Å; E249-A252 PolarHBondContact O-N 3.45Å; E249-I253 WeakPolarHBondContact O-CG1 3.5Å; E249-I253 PolarHBondContact O-N 2.88Å; E249-I253 VanDerWaalsContact O-N 3.12Å
250I98.9Very high98.1Very high0 Ų036.2 Ų36.20%020%0.197CC..Hα-helixtrans-66.5-39.9177.1-63.5170.9000110.9M209 I211 L214 V232 C234 D245 C246 L247 A252 I253 C254M209-I250 HydrophobicContact CB-CD1 4.47Å; M209-I250 HydrophobicContact SD-CD1 4.14Å; I211-I250 HydrophobicContact CD1-CD1 4.19Å; I211-I250 HydrophobicContact CD1-CG1 3.56Å; L214-I250 HydrophobicContact CD2-CG1 4.02Å; L214-I250 HydrophobicContact CD2-CG2 4.18Å; V232-I250 HydrophobicContact CB-CG2 4.16Å; V232-I250 HydrophobicContact CG1-CG2 3.62Å; C234-I250 VanDerWaalsContact SG-CG2 3.52Å; D245-I250 HydrophobicContact CB-CD1 3.78Å; C246-I250 WeakPolarHBondContact O-CG1 3.35Å; C246-I250 PolarHBondContact O-N 2.94Å; C246-I250 VanDerWaalsContact O-N 3.09Å; L247-I250 PolarHBondContact O-N 3.07Å; I250-A252 VanDerWaalsContact C-N 3.34Å; I250-A252 PolarHBondContact O-N 3.43Å; I250-I253 WeakPolarHBondContact O-CB 3.37Å; I250-I253 PolarHBondContact O-N 3.35Å; I250-I253 VanDerWaalsContact O-N 3.16Å; I250-C254 WeakPolarHBondContact O-CB 3.34Å; I250-C254 PolarHBondContact O-N 2.88Å; I250-C254 PolarHBondContact O-SG 2.97Å
251A98.9Very high98.2Very high2 Ų235.5 Ų35.52%0.01719%0.193CC..Hα-helixtrans-59.4-44.5175.500000111.2L247 I253 C254 E255 M261 R286L247-A251 VanDerWaalsContact O-CB 3.23Å; L247-A251 WeakPolarHBondContact O-CB 3.43Å; L247-A251 PolarHBondContact O-N 3.48Å; A251-I253 VanDerWaalsContact C-N 3.3Å; A251-I253 PolarHBondContact O-N 3.27Å; A251-C254 PolarHBondContact O-N 3.45Å; A251-E255 WeakPolarHBondContact O-CB 3.27Å; A251-E255 VanDerWaalsContact O-CG 3.32Å; A251-E255 WeakPolarHBondContact O-CG 3.26Å; A251-E255 PolarHBondContact O-N 3.43Å; A251-M261 HydrophobicContact CB-CE 4.39Å; A251-M261 HydrophobicContact CB-SD 3.62Å; A251-R286 HydrophobicContact CB-CB 3.69Å; A251-R286 VanDerWaalsContact CB-CZ 3.43Å
252A98.8Very high98.4Very high46 Ų4635.4 Ų35.438%0.3819%0.192SC..Hα-helixtrans-62.3-36.5176.100000112.5D248 E249 I250 H256D248-A252 PolarHBondContact O-N 2.92Å; E249-A252 PolarHBondContact O-N 3.45Å; I250-A252 VanDerWaalsContact C-N 3.34Å; I250-A252 PolarHBondContact O-N 3.43Å; A252-H256 WeakPolarHBondContact O-CB 3.32Å; A252-H256 PolarHBondContact O-N 3.21Å; A252-H256 VanDerWaalsContact O-N 3.07Å
253I98.8Very high98.5Very high10 Ų1035.4 Ų35.45%0.05119%0.192CC..Hα-helixtrans-67.2-45.4173.7-67.6165.2000110.7I211 L214 K215 I218 E249 I250 A251 E255 H256 Y257I211-I253 HydrophobicContact CG2-CD1 3.81Å; L214-I253 HydrophobicContact CD2-CD1 3.97Å; L214-I253 HydrophobicContact CD2-CG2 4.36Å; K215-I253 HydrophobicContact CD-CD1 4.38Å; K215-I253 HydrophobicContact CG-CD1 3.86Å; K215-I253 HydrophobicContact CG-CG1 4.34Å; I218-I253 HydrophobicContact CD1-CG2 3.49Å; I218-I253 VanDerWaalsContact CD1-CG2 3.49Å; E249-I253 WeakPolarHBondContact O-CG1 3.5Å; E249-I253 PolarHBondContact O-N 2.88Å; E249-I253 VanDerWaalsContact O-N 3.12Å; I250-I253 WeakPolarHBondContact O-CB 3.37Å; I250-I253 PolarHBondContact O-N 3.35Å; I250-I253 VanDerWaalsContact O-N 3.16Å; A251-I253 VanDerWaalsContact C-N 3.3Å; A251-I253 PolarHBondContact O-N 3.27Å; I253-E255 PolarHBondContact O-N 3.27Å; I253-H256 PolarHBondContact O-N 3.43Å; I253-Y257 HydrophobicContact CG2-CD2 3.79Å; I253-Y257 HydrophobicContact CG2-CE2 4.08Å; I253-Y257 VanDerWaalsContact O-CD2 3.32Å; I253-Y257 WeakPolarHBondContact O-CD2 3.37Å; I253-Y257 PolarHBondContact O-N 3.45Å
254C98.8Very high98.6Very high5 Ų535.7 Ų35.73%0.03419%0.194CC..Hα-helixtrans-61.5-44.9179.5-68.40000111.2V232 I250 A251 H256 Y257 G258 L259 M261V232-C254 VanDerWaalsContact CG2-SG 3.55Å; I250-C254 WeakPolarHBondContact O-CB 3.34Å; I250-C254 PolarHBondContact O-N 2.88Å; I250-C254 PolarHBondContact O-SG 2.97Å; A251-C254 PolarHBondContact O-N 3.45Å; C254-H256 PolarHBondContact O-N 2.87Å; C254-Y257 PolarHBondContact O-N 3.06Å; C254-G258 CarbonylContact O-C 3.55Å; C254-G258 WeakPolarHBondContact O-CA 3.37Å; C254-G258 PolarHBondContact O-N 3.22Å; C254-L259 HydrophobicContact CB-CB 4.23Å; C254-L259 WeakPolarHBondContact CB-O 3.37Å; C254-L259 PolarHBondContact O-N 3.34Å; C254-M261 HydrophobicContact CB-CB 4.21Å
255E98.5Very high98.6Very high126 Ų12634.7 Ų34.759%0.58919%0.19SC*.Hα-helixtrans-59.4-45.5174-72.4164.1-16600111.8A251 I253 Y257 G258 R286A251-E255 WeakPolarHBondContact O-CB 3.27Å; A251-E255 VanDerWaalsContact O-CG 3.32Å; A251-E255 WeakPolarHBondContact O-CG 3.26Å; A251-E255 PolarHBondContact O-N 3.43Å; I253-E255 PolarHBondContact O-N 3.27Å; E255-Y257 PolarHBondContact O-N 3.33Å; E255-G258 PolarHBondContact O-N 2.8Å; E255-R286 IonicContact OE1-CZ 2.8Å; E255-R286 IonicContact OE1-NE 3.47Å; E255-R286 PolarHBondContact OE1-NE 3.2Å; E255-R286 IonicContact OE1-NH2 2.73Å; E255-R286 PolarHBondContact OE1-NH2 3.46Å; E255-R286 IonicContact OE2-NH2 3.22Å; E255-R286 PolarHBondContact OE2-NH2 3.05Å
256H98.2Very high98.6Very high144 Ų14434.7 Ų34.767%0.66719%0.19SC*.Hα-helixtrans-62.7-39.6-179.8-179.973.6000113.2A252 I253 C254A252-H256 WeakPolarHBondContact O-CB 3.32Å; A252-H256 PolarHBondContact O-N 3.21Å; A252-H256 VanDerWaalsContact O-N 3.07Å; I253-H256 PolarHBondContact O-N 3.43Å; C254-H256 PolarHBondContact O-N 2.87Å
257Y97.9Very high98.6Very high86 Ų8632.4 Ų32.434%0.33717%0.174SC..Hα-helixtrans-97.4-2-177.6-71.7-73.5000114.1I218 I253 C254 E255I218-Y257 HydrophobicContact CD1-CD2 4.26Å; I218-Y257 HydrophobicContact CD1-CE2 4.5Å; I218-Y257 HydrophobicContact CG2-CD1 3.81Å; I218-Y257 HydrophobicContact CG2-CD2 3.88Å; I218-Y257 HydrophobicContact CG2-CE1 3.84Å; I218-Y257 HydrophobicContact CG2-CE2 3.91Å; I218-Y257 HydrophobicContact CG2-CG 3.84Å; I253-Y257 HydrophobicContact CG2-CD2 3.79Å; I253-Y257 HydrophobicContact CG2-CE2 4.08Å; I253-Y257 VanDerWaalsContact O-CD2 3.32Å; I253-Y257 WeakPolarHBondContact O-CD2 3.37Å; I253-Y257 PolarHBondContact O-N 3.45Å; C254-Y257 PolarHBondContact O-N 3.06Å; E255-Y257 PolarHBondContact O-N 3.33Å
258G97.4Very high98.5Very high54 Ų5432.4 Ų32.456%0.55717%0.174SC*.THydrogen-bonded Turntrans64.940.3-175.300000113.4C254 E255C254-G258 CarbonylContact O-C 3.55Å; C254-G258 WeakPolarHBondContact O-CA 3.37Å; C254-G258 PolarHBondContact O-N 3.22Å; E255-G258 PolarHBondContact O-N 2.8Å
259L98.7Very high98.5Very high12 Ų1229.2 Ų29.26%0.06316%0.157CC..  trans-98.4147.2179.7-48.9179.1000110.8I218 P229 V232 C254I218-L259 HydrophobicContact CD1-CD1 3.76Å; I218-L259 HydrophobicContact CG1-CD1 4.23Å; P229-L259 HydrophobicContact CB-CD1 4.44Å; P229-L259 HydrophobicContact CB-CD2 3.43Å; P229-L259 VanDerWaalsContact CB-CD2 3.43Å; V232-L259 HydrophobicContact CG2-CB 4.47Å; V232-L259 HydrophobicContact CG2-CD1 3.81Å; C254-L259 HydrophobicContact CB-CB 4.23Å; C254-L259 WeakPolarHBondContact CB-O 3.37Å; C254-L259 PolarHBondContact O-N 3.34Å
260W98.8Very high98.4Very high10 Ų1024.3 Ų24.34%0.03814%0.135CC..EExtended strand (participates in β ladder)trans-70.8132168.3-176.6-84.9000110.7I152 A153 Y156 F230 C231 V232 D288 S289 H311 L314I152-W260 HydrophobicContact CD1-CH2 3.79Å; I152-W260 HydrophobicContact CD1-CZ2 3.73Å; I152-W260 HydrophobicContact CG1-CH2 3.88Å; I152-W260 HydrophobicContact CG1-CZ2 3.69Å; A153-W260 HydrophobicContact CB-CB 4.06Å; A153-W260 HydrophobicContact CB-CD2 3.56Å; A153-W260 HydrophobicContact CB-CE3 4.23Å; A153-W260 HydrophobicContact CB-CG 3.47Å; A153-W260 VanDerWaalsContact CB-CG 3.47Å; A153-W260 HydrophobicContact CB-CZ2 4.39Å; Y156-W260 HydrophobicContact CD1-CE3 4.08Å; Y156-W260 HydrophobicContact CD1-CZ3 4.08Å; Y156-W260 HydrophobicContact CD2-CZ3 4.23Å; Y156-W260 HydrophobicContact CG-CE3 4.23Å; Y156-W260 AromaticContact CG-CZ3 3.8Å; Y156-W260 HydrophobicContact CG-CZ3 3.8Å; F230-W260 WeakPolarHBondContact O-CB 3.32Å; F230-W260 PolarHBondContact O-N 2.93Å; C231-W260 CarbonylContact C-O 3.5Å; C231-W260 VanDerWaalsContact CA-O 3.29Å; C231-W260 WeakPolarHBondContact CA-O 3.43Å; C231-W260 HydrophobicContact CB-CB 4.38Å; V232-W260 PolarHBondContact N-O 3.33Å; W260-D288 WeakPolarHBondContact CA-OD2 3.24Å; W260-D288 HydrophobicContact CD2-CB 3.37Å; W260-D288 HydrophobicContact CE3-CB 3.58Å; W260-D288 HydrophobicContact CG-CB 4.05Å; W260-D288 HydrophobicContact CH2-CB 3.68Å; W260-D288 HydrophobicContact CZ2-CB 3.45Å; W260-D288 VanDerWaalsContact CZ2-CB 3.45Å; W260-D288 HydrophobicContact CZ3-CB 3.73Å; W260-S289 WeakPolarHBondContact CZ2-OG 3.15Å; W260-S289 PolarHBondContact NE1-OG 3.14Å; W260-H311 AromaticContact CH2-CD2 3.35Å; W260-H311 WeakPolarHBondContact CH2-CD2 3.12Å; W260-H311 AromaticContact CH2-NE2 3.87Å; W260-H311 AromaticContact CZ3-CD2 3.46Å; W260-H311 VanDerWaalsContact CZ3-CD2 3.46Å; W260-H311 WeakPolarHBondContact CZ3-CD2 3.3Å; W260-H311 AromaticContact CZ3-NE2 3.52Å; W260-L314 HydrophobicContact CH2-CD2 3.77Å; W260-L314 HydrophobicContact CZ3-CD2 4.1Å
261M98.9Very high98.4Very high1 Ų124.3 Ų24.31%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-103.1110.8173.2-175.1-176172.600110.4L247 A251 C254 V263 C287 D288 S289L247-M261 HydrophobicContact CB-CE 3.64Å; L247-M261 HydrophobicContact CD2-CE 3.79Å; L247-M261 HydrophobicContact CG-CE 4.21Å; L247-M261 WeakPolarHBondContact O-CE 3.49Å; A251-M261 HydrophobicContact CB-CE 4.39Å; A251-M261 HydrophobicContact CB-SD 3.62Å; C254-M261 HydrophobicContact CB-CB 4.21Å; M261-V263 HydrophobicContact CE-CG2 3.71Å; M261-C287 HydrophobicContact CB-CB 4.47Å; M261-C287 HydrophobicContact CE-CB 4.28Å; M261-C287 HydrophobicContact CG-CB 4.07Å; M261-C287 HydrophobicContact SD-CB 4.05Å; M261-D288 PolarHBondContact N-OD2 3.01Å; M261-D288 PolarHBondContact O-N 3.46Å; M261-S289 PolarHBondContact O-N 2.87Å
262H98.9Very high98.4Very high0 Ų024.2 Ų24.20%013%0.134CC..EExtended strand (participates in β ladder)trans-104.1128.6172.1-178.166.4000110.6N146 V232 W233 C234 S289N146-H262 PolarHBondContact OD1-NE2 2.78Å; V232-H262 PolarHBondContact O-N 3.14Å; W233-H262 AromaticContact CD2-CD2 3.8Å; W233-H262 AromaticContact CE2-CD2 3.89Å; C234-H262 WeakPolarHBondContact CB-O 3.31Å; C234-H262 PolarHBondContact N-O 3.07Å; H262-S289 WeakPolarHBondContact CA-O 3.46Å; H262-S289 PolarHBondContact ND1-OG 2.98Å
263V98.9Very high98.3Very high0 Ų022.5 Ų22.50%012%0.118CC..EExtended strand (participates in β ladder)trans-107.1105.9177.1179.30000110.2C234 L247 M261 A265 M281 C287 S289 L290 T291C234-V263 HydrophobicContact CB-CG2 4.16Å; L247-V263 HydrophobicContact CD1-CG1 4.03Å; L247-V263 HydrophobicContact CD1-CG2 4.12Å; L247-V263 HydrophobicContact CD2-CG1 4.35Å; L247-V263 HydrophobicContact CD2-CG2 4Å; M261-V263 HydrophobicContact CE-CG2 3.71Å; V263-A265 HydrophobicContact CG1-CB 4.14Å; V263-A265 PolarHBondContact O-N 2.88Å; V263-A265 VanDerWaalsContact O-N 3.1Å; V263-M281 HydrophobicContact CG1-CE 4.16Å; V263-C287 HydrophobicContact CB-CB 4.38Å; V263-C287 HydrophobicContact CG2-CB 3.49Å; V263-C287 VanDerWaalsContact CG2-CB 3.49Å; V263-S289 PolarHBondContact N-O 3.26Å; V263-L290 HydrophobicContact CB-CD1 4.49Å; V263-L290 HydrophobicContact CB-CG 4.47Å; V263-L290 HydrophobicContact CG1-CD1 4.34Å; V263-L290 WeakPolarHBondContact O-CA 3.44Å; V263-T291 PolarHBondContact O-N 3.43Å
264D98.9Very high98.2Very high7 Ų722 Ų224%0.03712%0.116CC..EExtended strand (participates in β ladder)trans-7691.7166.1-176.8-10.5000109.6N146 C234 T235 S236 C266 T291N146-D264 PolarHBondContact ND2-OD2 2.78Å; C234-D264 WeakPolarHBondContact O-CB 3.27Å; C234-D264 PolarHBondContact O-N 3.5Å; T235-D264 WeakPolarHBondContact CA-O 3.31Å; S236-D264 PolarHBondContact N-O 3.43Å; D264-C266 WeakPolarHBondContact OD1-CB 3.32Å; D264-C266 PolarHBondContact OD1-N 2.97Å; D264-C266 PolarHBondContact OD1-SG 2.89Å; D264-T291 WeakPolarHBondContact CA-OG1 3.22Å
265A98.6Very high98Very high0 Ų026.1 Ų26.10%014%0.144CC..  trans-101.628.7173.900000111.3V263 L267 G268 G269 M281 L290 T291V263-A265 HydrophobicContact CG1-CB 4.14Å; V263-A265 PolarHBondContact O-N 2.88Å; V263-A265 VanDerWaalsContact O-N 3.1Å; A265-L267 PolarHBondContact O-N 3.39Å; A265-L267 VanDerWaalsContact O-N 3.11Å; A265-G268 PolarHBondContact O-N 3.48Å; A265-G269 WeakPolarHBondContact O-CA 3.35Å; A265-G269 PolarHBondContact O-N 2.65Å; A265-M281 HydrophobicContact CB-CE 3.47Å; A265-M281 VanDerWaalsContact CB-CE 3.47Å; A265-M281 HydrophobicContact CB-SD 4.22Å; A265-L290 HydrophobicContact CB-CD1 4.46Å; A265-L290 HydrophobicContact CB-CD2 4.46Å; A265-L290 HydrophobicContact CB-CG 4.28Å; A265-T291 CarbonylContact C-O 3.45Å; A265-T291 WeakPolarHBondContact CA-O 3.26Å; A265-T291 VanDerWaalsContact CB-O 3.25Å; A265-T291 WeakPolarHBondContact CB-O 3.27Å; A265-T291 PolarHBondContact N-O 3.36Å
266C98.6Very high97.9Very high3 Ų324.5 Ų24.52%0.0214%0.135CC..THydrogen-bonded Turntrans-52.9-41.7-175.9-76.90000111.9D264 T291 N293 K296D264-C266 WeakPolarHBondContact OD1-CB 3.32Å; D264-C266 PolarHBondContact OD1-N 2.97Å; D264-C266 PolarHBondContact OD1-SG 2.89Å; C266-T291 PolarHBondContact N-O 3.23Å; C266-N293 HydrophobicContact CB-CB 4.34Å; C266-N293 WeakPolarHBondContact O-CB 3.35Å; C266-N293 PolarHBondContact O-N 2.96Å; C266-N293 VanDerWaalsContact O-N 3.11Å; C266-N293 PolarHBondContact SG-OD1 3.21Å; C266-N293 VanDerWaalsContact SG-OD1 3.38Å; C266-K296 HydrophobicContact CB-CD 4.46Å; C266-K296 WeakPolarHBondContact O-CD 3.29Å
267L97.4Very high97.9Very high4 Ų418.1 Ų18.12%0.02111%0.106CC..THydrogen-bonded Turntrans-93.6-48.4175.2-17963.9000112.1L83 N242 A265 G269 K296 T297 T461L83-L267 HydrophobicContact CB-CD1 4.35Å; L83-L267 HydrophobicContact CD1-CD1 4.45Å; L83-L267 HydrophobicContact CD1-CD2 4.13Å; L83-L267 HydrophobicContact CD2-CD1 4.12Å; L83-L267 HydrophobicContact CD2-CD2 3.86Å; N242-L267 VanDerWaalsContact OD1-CD2 3.28Å; N242-L267 WeakPolarHBondContact OD1-CD2 3.2Å; A265-L267 PolarHBondContact O-N 3.39Å; A265-L267 VanDerWaalsContact O-N 3.11Å; L267-G269 PolarHBondContact O-N 3.24Å; L267-K296 HydrophobicContact CB-CD 4.2Å; L267-K296 HydrophobicContact CD1-CB 4.34Å; L267-K296 HydrophobicContact CD1-CD 4.25Å; L267-T297 PolarHBondContact O-OG1 3.38Å; L267-T297 VanDerWaalsContact O-OG1 3.09Å; L267-T461 HydrophobicContact CD1-CG2 4.36Å
268G97.5Very high97.8Very high1 Ų116.5 Ų16.51%0.0110%0.099CC..G310 helixtrans-75.5-16.8-17100000115.6S236 Y244 A265 A270 A271S236-G268 WeakPolarHBondContact O-CA 3.48Å; S236-G268 PolarHBondContact O-N 3.37Å; Y244-G268 WeakPolarHBondContact OH-CA 3.48Å; A265-G268 PolarHBondContact O-N 3.48Å; G268-A270 PolarHBondContact O-N 2.6Å; G268-A271 VanDerWaalsContact O-CB 3.28Å; G268-A271 WeakPolarHBondContact O-CB 3.36Å; G268-A271 PolarHBondContact O-N 3.43Å
269G98.2Very high97.8Very high0 Ų019 Ų190%010%0.096CC..G310 helixtrans-58.8-23.3-175.200000114.7A265 L267 A271 L272A265-G269 WeakPolarHBondContact O-CA 3.35Å; A265-G269 PolarHBondContact O-N 2.65Å; L267-G269 PolarHBondContact O-N 3.24Å; G269-A271 PolarHBondContact O-N 3.21Å; G269-L272 WeakPolarHBondContact O-CB 3.16Å; G269-L272 PolarHBondContact O-N 3.28Å; G269-L272 VanDerWaalsContact O-N 3.09Å
270A97.5Very high97.8Very high0 Ų020.5 Ų20.50%010%0.104CC..G310 helixtrans-59.4-28.7174.100000113G268 L272 L273 W292 T297 I298 V371G268-A270 PolarHBondContact O-N 2.6Å; A270-L272 PolarHBondContact O-N 3.47Å; A270-L272 VanDerWaalsContact O-N 3.14Å; A270-L273 PolarHBondContact O-N 2.91Å; A270-L273 VanDerWaalsContact O-N 3.11Å; A270-W292 HydrophobicContact CB-CZ2 4.44Å; A270-T297 HydrophobicContact CB-CG2 3.68Å; A270-I298 HydrophobicContact CB-CD1 3.81Å; A270-I298 HydrophobicContact CB-CG1 4.4Å; A270-V371 HydrophobicContact CB-CG1 4.36Å; A270-V371 HydrophobicContact CB-CG2 4.18Å; A270-V371 WeakPolarHBondContact O-CG1 3.35Å
271A97.8Very high97.7Very high0 Ų020 Ų200%010%0.102CC..G310 helixtrans-57.1-28.9176.400000112.6G268 G269 L273 S274 R278 L280 F375G268-A271 VanDerWaalsContact O-CB 3.28Å; G268-A271 WeakPolarHBondContact O-CB 3.36Å; G268-A271 PolarHBondContact O-N 3.43Å; G269-A271 PolarHBondContact O-N 3.21Å; A271-L273 PolarHBondContact O-N 3.09Å; A271-S274 PolarHBondContact O-N 2.61Å; A271-S274 VanDerWaalsContact O-N 3.17Å; A271-R278 WeakPolarHBondContact O-CA 3.28Å; A271-R278 PolarHBondContact O-N 3.26Å; A271-L280 HydrophobicContact CB-CD1 4.46Å; A271-F375 HydrophobicContact CB-CE1 4.36Å; A271-F375 HydrophobicContact CB-CZ 4.03Å
272L98.3Very high97.7Very high0 Ų024.3 Ų24.30%013%0.125CC..G310 helixtrans-64.6-26179.9-61.1175.5000112.9I129 G269 A270 S274 R278 M281 Y284 L290I129-L272 HydrophobicContact CB-CB 4.22Å; I129-L272 HydrophobicContact CB-CD1 4.24Å; I129-L272 HydrophobicContact CD1-CD1 4.25Å; I129-L272 HydrophobicContact CG2-CB 3.65Å; I129-L272 HydrophobicContact CG2-CD1 4.15Å; G269-L272 WeakPolarHBondContact O-CB 3.16Å; G269-L272 PolarHBondContact O-N 3.28Å; G269-L272 VanDerWaalsContact O-N 3.09Å; A270-L272 PolarHBondContact O-N 3.47Å; A270-L272 VanDerWaalsContact O-N 3.14Å; L272-S274 VanDerWaalsContact C-N 3.31Å; L272-S274 PolarHBondContact O-N 3.06Å; L272-R278 HydrophobicContact CD2-CG 4.28Å; L272-R278 PolarHBondContact O-NE 3.2Å; L272-R278 PolarHBondContact O-NH2 3.44Å; L272-M281 HydrophobicContact CD1-CE 4.08Å; L272-M281 HydrophobicContact CD1-SD 4.03Å; L272-M281 HydrophobicContact CD2-CB 3.7Å; L272-M281 HydrophobicContact CD2-CE 4.36Å; L272-M281 HydrophobicContact CD2-CG 4.27Å; L272-M281 HydrophobicContact CD2-SD 3.86Å; L272-M281 HydrophobicContact CG-CE 4.29Å; L272-M281 HydrophobicContact CG-SD 3.65Å; L272-Y284 HydrophobicContact CD1-CD2 4.15Å; L272-Y284 HydrophobicContact CD1-CE2 4.23Å; L272-Y284 HydrophobicContact CD2-CD1 3.79Å; L272-Y284 HydrophobicContact CD2-CD2 4.08Å; L272-Y284 HydrophobicContact CD2-CE1 3.68Å; L272-Y284 HydrophobicContact CD2-CE2 3.99Å; L272-Y284 HydrophobicContact CD2-CG 3.98Å; L272-L290 HydrophobicContact CD1-CD1 4.4Å
273L97.5Very high97.7Very high10 Ų1024.3 Ų24.35%0.05213%0.125CC..G310 helixtrans-76.2-17.2177.6-62.6-174000113.6A128 I129 A270 A271 W292 W294 I298 L364 L367 K368 V371A128-L273 HydrophobicContact CB-CD2 4.21Å; I129-L273 HydrophobicContact CG2-CD2 4.43Å; A270-L273 PolarHBondContact O-N 2.91Å; A270-L273 VanDerWaalsContact O-N 3.11Å; A271-L273 PolarHBondContact O-N 3.09Å; L273-W292 HydrophobicContact CD1-CH2 3.82Å; L273-W292 HydrophobicContact CD1-CZ2 4.19Å; L273-W292 HydrophobicContact CD2-CH2 3.9Å; L273-W292 HydrophobicContact CG-CH2 3.66Å; L273-W292 HydrophobicContact CG-CZ2 4.28Å; L273-W294 HydrophobicContact CD1-CH2 4.16Å; L273-I298 HydrophobicContact CD1-CD1 3.91Å; L273-L364 HydrophobicContact CD2-CD1 4.04Å; L273-L367 HydrophobicContact CD1-CB 4.31Å; L273-K368 WeakPolarHBondContact O-CG 3.29Å; L273-V371 HydrophobicContact CB-CG2 4.42Å; L273-V371 HydrophobicContact CD1-CG2 4.31Å
274S97Very high97.6Very high0 Ų025 Ų250%013%0.127CC..  trans-106.2124.9-178.9170.90000111.3A271 L272 K276 Y277 R278 E372A271-S274 PolarHBondContact O-N 2.61Å; A271-S274 VanDerWaalsContact O-N 3.17Å; L272-S274 VanDerWaalsContact C-N 3.31Å; L272-S274 PolarHBondContact O-N 3.06Å; S274-K276 PolarHBondContact O-N 3.43Å; S274-K276 WeakPolarHBondContact OG-CB 3.28Å; S274-K276 PolarHBondContact OG-N 3.05Å; S274-Y277 PolarHBondContact O-N 3.37Å; S274-Y277 WeakPolarHBondContact OG-CD2 3.28Å; S274-Y277 PolarHBondContact OG-N 3.28Å; S274-R278 WeakPolarHBondContact O-CB 3.47Å; S274-R278 PolarHBondContact O-N 2.81Å; S274-E372 WeakPolarHBondContact OG-CG 3.44Å; S274-E372 PolarHBondContact OG-OE1 2.97Å
275S95.2Very high97.6Very high91 Ų9128.8 Ų28.864%0.63615%0.145SC*.THydrogen-bonded Turntrans-60.6-27.3170.153.20000113K368S275-K368 PolarHBondContact OG-NZ 2.89Å
276K96.3Very high97.6Very high92 Ų9232.1 Ų32.140%0.416%0.158SC..THydrogen-bonded Turntrans-71.7-37.8177.6-173.9-179.3174.3-161.40111.6S274 H279 E376 E379S274-K276 PolarHBondContact O-N 3.43Å; S274-K276 WeakPolarHBondContact OG-CB 3.28Å; S274-K276 PolarHBondContact OG-N 3.05Å; K276-H279 PolarHBondContact O-CE1 3.39Å; K276-H279 PolarHBondContact O-ND1 2.97Å; K276-E376 IonicContact NZ-OE1 3.12Å; K276-E379 IonicContact NZ-OE2 2.7Å; K276-E379 PolarHBondContact NZ-OE2 3.42Å
277Y97.3Very high97.6Very high10 Ų1032.4 Ų32.44%0.03916%0.159CC..THydrogen-bonded Turntrans-109-10.6-171.4-61.4-66000115.4S274 H279 L280 E372 F375 E379S274-Y277 PolarHBondContact O-N 3.37Å; S274-Y277 WeakPolarHBondContact OG-CD2 3.28Å; S274-Y277 PolarHBondContact OG-N 3.28Å; Y277-H279 PolarHBondContact O-N 3.09Å; Y277-L280 WeakPolarHBondContact O-CB 3.27Å; Y277-L280 WeakPolarHBondContact O-CG 3.36Å; Y277-L280 PolarHBondContact O-N 2.67Å; Y277-E372 HydrophobicContact CD2-CG 4.32Å; Y277-E372 HydrophobicContact CE2-CB 4.49Å; Y277-E372 HydrophobicContact CE2-CG 4.23Å; Y277-F375 HydrophobicContact CD1-CB 4.33Å; Y277-F375 AromaticContact CD1-CD1 3.41Å; Y277-F375 HydrophobicContact CD1-CD1 3.41Å; Y277-F375 VanDerWaalsContact CD1-CD1 3.41Å; Y277-F375 HydrophobicContact CD1-CE1 4.03Å; Y277-F375 HydrophobicContact CD1-CG 4.19Å; Y277-F375 HydrophobicContact CD2-CB 3.84Å; Y277-F375 AromaticContact CD2-CD1 3.75Å; Y277-F375 HydrophobicContact CD2-CD1 3.75Å; Y277-F375 HydrophobicContact CD2-CD2 4.47Å; Y277-F375 HydrophobicContact CD2-CE1 4.39Å; Y277-F375 AromaticContact CD2-CG 3.78Å; Y277-F375 HydrophobicContact CD2-CG 3.78Å; Y277-F375 HydrophobicContact CE1-CB 3.86Å; Y277-F375 AromaticContact CE1-CD1 3.73Å; Y277-F375 HydrophobicContact CE1-CD1 3.73Å; Y277-F375 HydrophobicContact CE1-CG 4.21Å; Y277-F375 HydrophobicContact CE2-CB 3.32Å; Y277-F375 HydrophobicContact CE2-CD1 4.06Å; Y277-F375 AromaticContact CE2-CG 3.83Å; Y277-F375 HydrophobicContact CE2-CG 3.83Å; Y277-F375 HydrophobicContact CG-CB 4.31Å; Y277-F375 AromaticContact CG-CD1 3.42Å; Y277-F375 HydrophobicContact CG-CD1 3.42Å; Y277-F375 VanDerWaalsContact CG-CD1 3.42Å; Y277-F375 AromaticContact CG-CE1 3.83Å; Y277-F375 HydrophobicContact CG-CE1 3.83Å; Y277-F375 AromaticContact CG-CG 3.97Å; Y277-F375 HydrophobicContact CG-CG 3.97Å; Y277-E379 WeakPolarHBondContact CE1-OE1 3.19Å; Y277-E379 VanDerWaalsContact CZ-OE1 3.26Å; Y277-E379 PolarHBondContact OH-OE1 2.97Å; Y277-E379 PolarHBondContact OH-OE2 3.16Å
278R97Very high97.7Very high52 Ų5233.6 Ų33.620%0.19617%0.166CC..G310 helixtrans-52.2-31.5-178.9-179.9174.8-69.4-145.712.6113.5A128 D130 A271 L272 S274 L280 M281 Y284A128-R278 PolarHBondContact O-NH2 3.41Å; D130-R278 IonicContact OD2-CZ 3.9Å; D130-R278 IonicContact OD2-NH1 3.79Å; D130-R278 PolarHBondContact OD2-NH1 3.45Å; A271-R278 WeakPolarHBondContact O-CA 3.28Å; A271-R278 PolarHBondContact O-N 3.26Å; L272-R278 HydrophobicContact CD2-CG 4.28Å; L272-R278 PolarHBondContact O-NE 3.2Å; L272-R278 PolarHBondContact O-NH2 3.44Å; S274-R278 WeakPolarHBondContact O-CB 3.47Å; S274-R278 PolarHBondContact O-N 2.81Å; R278-L280 PolarHBondContact O-N 3.39Å; R278-M281 PolarHBondContact O-N 2.9Å; R278-Y284 PolarHBondContact NH1-OH 3.26Å
279H97.1Very high97.7Very high106 Ų10633.6 Ų33.649%0.49117%0.166SC..G310 helixtrans-55.7-25.2178.470.2-89.1000114.2K276 Y277 M281 N282K276-H279 PolarHBondContact O-CE1 3.39Å; K276-H279 PolarHBondContact O-ND1 2.97Å; Y277-H279 PolarHBondContact O-N 3.09Å; H279-M281 PolarHBondContact O-N 3.18Å; H279-M281 VanDerWaalsContact O-N 3.16Å; H279-N282 WeakPolarHBondContact CA-OD1 3.45Å; H279-N282 VanDerWaalsContact O-CG 3.25Å; H279-N282 PolarHBondContact O-N 3.16Å; H279-N282 PolarHBondContact O-ND2 3.16Å
280L97.3Very high97.8Very high44 Ų4433.6 Ų33.623%0.2317%0.166CC..G310 helixtrans-63.2-17.6176.1-64.9173000113.1Y244 A271 Y277 R278 F375Y244-L280 WeakPolarHBondContact CB-O 3.38Å; Y244-L280 HydrophobicContact CD1-CB 3.9Å; Y244-L280 WeakPolarHBondContact CD1-O 3.21Å; Y244-L280 HydrophobicContact CD2-CB 4.38Å; Y244-L280 HydrophobicContact CE1-CB 3.84Å; Y244-L280 HydrophobicContact CE2-CB 4.35Å; Y244-L280 HydrophobicContact CE2-CD1 4.06Å; Y244-L280 HydrophobicContact CG-CB 4.18Å; A271-L280 HydrophobicContact CB-CD1 4.46Å; Y277-L280 WeakPolarHBondContact O-CB 3.27Å; Y277-L280 WeakPolarHBondContact O-CG 3.36Å; Y277-L280 PolarHBondContact O-N 2.67Å; R278-L280 PolarHBondContact O-N 3.39Å; L280-F375 HydrophobicContact CD1-CE1 3.77Å
281M98.1Very high97.8Very high0 Ų033.6 Ų33.60%017%0.166CC..G310 helixtrans-115.515.8-179.6-69.6-164.163.500113.1Y244 V263 A265 L272 R278 H279 G283 Y284 L290Y244-M281 HydrophobicContact CD1-CG 3.94Å; Y244-M281 HydrophobicContact CE1-CG 3.85Å; V263-M281 HydrophobicContact CG1-CE 4.16Å; A265-M281 HydrophobicContact CB-CE 3.47Å; A265-M281 VanDerWaalsContact CB-CE 3.47Å; A265-M281 HydrophobicContact CB-SD 4.22Å; L272-M281 HydrophobicContact CD1-CE 4.08Å; L272-M281 HydrophobicContact CD1-SD 4.03Å; L272-M281 HydrophobicContact CD2-CB 3.7Å; L272-M281 HydrophobicContact CD2-CE 4.36Å; L272-M281 HydrophobicContact CD2-CG 4.27Å; L272-M281 HydrophobicContact CD2-SD 3.86Å; L272-M281 HydrophobicContact CG-CE 4.29Å; L272-M281 HydrophobicContact CG-SD 3.65Å; R278-M281 PolarHBondContact O-N 2.9Å; H279-M281 PolarHBondContact O-N 3.18Å; H279-M281 VanDerWaalsContact O-N 3.16Å; M281-G283 PolarHBondContact O-N 3.07Å; M281-Y284 HydrophobicContact CB-CD1 4.32Å; M281-Y284 VanDerWaalsContact O-CB 3.31Å; M281-Y284 WeakPolarHBondContact O-CB 3.39Å; M281-Y284 WeakPolarHBondContact O-CD1 3.18Å; M281-Y284 PolarHBondContact O-N 3.42Å; M281-L290 HydrophobicContact CE-CD1 4.07Å
282N98Very high97.9Very high90 Ų9033.6 Ų33.648%0.48117%0.166SC..THydrogen-bonded Turntrans-48.1128.9178.4-76.8-9.9000112.5L247 H279L247-N282 WeakPolarHBondContact CB-O 3.36Å; H279-N282 WeakPolarHBondContact CA-OD1 3.45Å; H279-N282 VanDerWaalsContact O-CG 3.25Å; H279-N282 PolarHBondContact O-N 3.16Å; H279-N282 PolarHBondContact O-ND2 3.16Å
283G98.4Very high97.9Very high1 Ų133.9 Ų33.91%0.0117%0.167CC..THydrogen-bonded Turntrans95.4-3.1-174.800000114.6D248 M281 E285 R286D248-G283 VanDerWaalsContact OD1-CA 3.24Å; D248-G283 WeakPolarHBondContact OD1-CA 3.19Å; M281-G283 PolarHBondContact O-N 3.07Å; G283-E285 PolarHBondContact N-OE2 2.87Å; G283-E285 PolarHBondContact O-N 3.32Å; G283-R286 WeakPolarHBondContact O-CB 3.25Å; G283-R286 PolarHBondContact O-N 2.87Å; G283-R286 VanDerWaalsContact O-N 3.08Å
284Y98.5Very high97.8Very high13 Ų1333.4 Ų33.45%0.05117%0.165CC..G310 helixtrans-58.6-31.8177.974.3-78.2000113I129 L131 L272 R278 M281 R286 C287 L290I129-Y284 HydrophobicContact CB-CE2 4.49Å; I129-Y284 VanDerWaalsContact O-CE2 3.27Å; I129-Y284 WeakPolarHBondContact O-CE2 3.08Å; I129-Y284 PolarHBondContact O-OH 2.84Å; L131-Y284 HydrophobicContact CD1-CD2 4.07Å; L131-Y284 HydrophobicContact CD1-CE2 4Å; L131-Y284 HydrophobicContact CD2-CD2 4.47Å; L131-Y284 HydrophobicContact CD2-CE2 4.09Å; L131-Y284 HydrophobicContact CG-CD2 4.45Å; L131-Y284 HydrophobicContact CG-CE2 3.94Å; L272-Y284 HydrophobicContact CD1-CD2 4.15Å; L272-Y284 HydrophobicContact CD1-CE2 4.23Å; L272-Y284 HydrophobicContact CD2-CD1 3.79Å; L272-Y284 HydrophobicContact CD2-CD2 4.08Å; L272-Y284 HydrophobicContact CD2-CE1 3.68Å; L272-Y284 HydrophobicContact CD2-CE2 3.99Å; L272-Y284 HydrophobicContact CD2-CG 3.98Å; R278-Y284 PolarHBondContact NH1-OH 3.26Å; M281-Y284 HydrophobicContact CB-CD1 4.32Å; M281-Y284 VanDerWaalsContact O-CB 3.31Å; M281-Y284 WeakPolarHBondContact O-CB 3.39Å; M281-Y284 WeakPolarHBondContact O-CD1 3.18Å; M281-Y284 PolarHBondContact O-N 3.42Å; Y284-R286 PolarHBondContact O-N 3.12Å; Y284-C287 WeakPolarHBondContact O-CB 3.14Å; Y284-C287 PolarHBondContact O-N 3.46Å; Y284-C287 VanDerWaalsContact O-N 3.14Å; Y284-C287 PolarHBondContact O-SG 3.43Å; Y284-L290 HydrophobicContact CD2-CD1 4.31Å
285E98.2Very high97.8Very high87 Ų8734.2 Ų34.241%0.40717%0.168SC..G310 helixtrans-66.2-15.4178.569.5-73.6172.400113.9L131 G283L131-E285 HydrophobicContact CD2-CB 3.85Å; G283-E285 PolarHBondContact N-OE2 2.87Å; G283-E285 PolarHBondContact O-N 3.32Å
286R98.5Very high97.9Very high71 Ų7131.2 Ų31.227%0.26814%0.144SC..G310 helixtrans-90.1-8.3177.1-59.1173.563.1-161.1-1.9112.9D248 A251 E255 G283 Y284D248-R286 PolarHBondContact O-NH1 3.3Å; D248-R286 IonicContact OD1-NH1 3.81Å; D248-R286 PolarHBondContact OD1-NH1 2.94Å; A251-R286 HydrophobicContact CB-CB 3.69Å; A251-R286 VanDerWaalsContact CB-CZ 3.43Å; E255-R286 IonicContact OE1-CZ 2.8Å; E255-R286 IonicContact OE1-NE 3.47Å; E255-R286 PolarHBondContact OE1-NE 3.2Å; E255-R286 IonicContact OE1-NH2 2.73Å; E255-R286 PolarHBondContact OE1-NH2 3.46Å; E255-R286 IonicContact OE2-NH2 3.22Å; E255-R286 PolarHBondContact OE2-NH2 3.05Å; G283-R286 WeakPolarHBondContact O-CB 3.25Å; G283-R286 PolarHBondContact O-N 2.87Å; G283-R286 VanDerWaalsContact O-N 3.08Å; Y284-R286 PolarHBondContact O-N 3.12Å
287C98.7Very high97.7Very high8 Ų826.9 Ų26.95%0.05413%0.125CC..  trans-71.7156.5178.480.10000112.7M261 V263 Y284 S289M261-C287 HydrophobicContact CB-CB 4.47Å; M261-C287 HydrophobicContact CE-CB 4.28Å; M261-C287 HydrophobicContact CG-CB 4.07Å; M261-C287 HydrophobicContact SD-CB 4.05Å; V263-C287 HydrophobicContact CB-CB 4.38Å; V263-C287 HydrophobicContact CG2-CB 3.49Å; V263-C287 VanDerWaalsContact CG2-CB 3.49Å; Y284-C287 WeakPolarHBondContact O-CB 3.14Å; Y284-C287 PolarHBondContact O-N 3.46Å; Y284-C287 VanDerWaalsContact O-N 3.14Å; Y284-C287 PolarHBondContact O-SG 3.43Å; C287-S289 PolarHBondContact SG-O 3.28Å
288D98.8Very high97.6Very high29 Ų2926.4 Ų26.416%0.15512%0.124CC..SBendtrans-83.7-28.8174.6-66.1-70.7000112.2W260 M261 T309 K310 H311W260-D288 WeakPolarHBondContact CA-OD2 3.24Å; W260-D288 HydrophobicContact CD2-CB 3.37Å; W260-D288 HydrophobicContact CE3-CB 3.58Å; W260-D288 HydrophobicContact CG-CB 4.05Å; W260-D288 HydrophobicContact CH2-CB 3.68Å; W260-D288 HydrophobicContact CZ2-CB 3.45Å; W260-D288 VanDerWaalsContact CZ2-CB 3.45Å; W260-D288 HydrophobicContact CZ3-CB 3.73Å; M261-D288 PolarHBondContact N-OD2 3.01Å; M261-D288 PolarHBondContact O-N 3.46Å; D288-T309 WeakPolarHBondContact O-CA 3.35Å; D288-T309 PolarHBondContact O-OG1 3.29Å; D288-K310 PolarHBondContact O-N 2.81Å; D288-H311 IonicContact OD1-CD2 3.97Å; D288-H311 IonicContact OD1-CE1 2.64Å; D288-H311 IonicContact OD1-NE2 3.62Å; D288-H311 PolarHBondContact OD1-NE2 3.47Å
289S98.9Very high97.4Very high1 Ų124 Ų241%0.00712%0.115CC..EExtended strand (participates in β ladder)trans-154.4150.1176.151.70000112.9W260 M261 H262 V263 C287 L308W260-S289 WeakPolarHBondContact CZ2-OG 3.15Å; W260-S289 PolarHBondContact NE1-OG 3.14Å; M261-S289 PolarHBondContact O-N 2.87Å; H262-S289 WeakPolarHBondContact CA-O 3.46Å; H262-S289 PolarHBondContact ND1-OG 2.98Å; V263-S289 PolarHBondContact N-O 3.26Å; C287-S289 PolarHBondContact SG-O 3.28Å; S289-L308 CarbonylContact C-O 3.56Å; S289-L308 WeakPolarHBondContact CA-O 3.31Å; S289-L308 WeakPolarHBondContact CB-O 3.44Å
290L98.9Very high97.4Very high1 Ų119.2 Ų19.21%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-137.1141-177.1-179.1148.3000110.6V263 A265 L272 M281 Y284 W292 L308V263-L290 HydrophobicContact CB-CD1 4.49Å; V263-L290 HydrophobicContact CB-CG 4.47Å; V263-L290 HydrophobicContact CG1-CD1 4.34Å; V263-L290 WeakPolarHBondContact O-CA 3.44Å; A265-L290 HydrophobicContact CB-CD1 4.46Å; A265-L290 HydrophobicContact CB-CD2 4.46Å; A265-L290 HydrophobicContact CB-CG 4.28Å; L272-L290 HydrophobicContact CD1-CD1 4.4Å; M281-L290 HydrophobicContact CE-CD1 4.07Å; Y284-L290 HydrophobicContact CD2-CD1 4.31Å; L290-W292 HydrophobicContact CD2-CB 4.21Å; L290-L308 PolarHBondContact N-O 3.15Å; L290-L308 PolarHBondContact O-N 3.02Å
291T98.8Very high97.3Very high0 Ų017.5 Ų17.50%09%0.085CC..EExtended strand (participates in β ladder)trans-119.7145.1173.257.50000111.6A145 N146 V263 D264 A265 C266 L306 F307A145-T291 HydrophobicContact CB-CG2 3.68Å; A145-T291 WeakPolarHBondContact O-CG2 3.34Å; N146-T291 WeakPolarHBondContact OD1-CB 3.33Å; N146-T291 WeakPolarHBondContact OD1-CG2 3.41Å; N146-T291 PolarHBondContact OD1-OG1 3.33Å; V263-T291 PolarHBondContact O-N 3.43Å; D264-T291 WeakPolarHBondContact CA-OG1 3.22Å; A265-T291 CarbonylContact C-O 3.45Å; A265-T291 WeakPolarHBondContact CA-O 3.26Å; A265-T291 VanDerWaalsContact CB-O 3.25Å; A265-T291 WeakPolarHBondContact CB-O 3.27Å; A265-T291 PolarHBondContact N-O 3.36Å; C266-T291 PolarHBondContact N-O 3.23Å; T291-L306 CarbonylContact C-O 3.58Å; T291-L306 WeakPolarHBondContact CA-O 3.44Å; T291-F307 HydrophobicContact CG2-CD2 3.71Å; T291-F307 HydrophobicContact CG2-CE2 4.4Å
292W98.6Very high97.2Very high0 Ų022.1 Ų22.10%011%0.108CC..EExtended strand (participates in β ladder)trans-150.2122.2-179.5177.921.7000112.2I125 I129 A270 L273 L290 W294 I298 L306I125-W292 HydrophobicContact CG2-CE3 4.3Å; I125-W292 HydrophobicContact CG2-CZ3 3.84Å; I129-W292 HydrophobicContact CG2-CZ3 4.32Å; A270-W292 HydrophobicContact CB-CZ2 4.44Å; L273-W292 HydrophobicContact CD1-CH2 3.82Å; L273-W292 HydrophobicContact CD1-CZ2 4.19Å; L273-W292 HydrophobicContact CD2-CH2 3.9Å; L273-W292 HydrophobicContact CG-CH2 3.66Å; L273-W292 HydrophobicContact CG-CZ2 4.28Å; L290-W292 HydrophobicContact CD2-CB 4.21Å; W292-W294 AromaticContact CD2-CD1 3.87Å; W292-W294 AromaticContact CD2-NE1 3.42Å; W292-W294 AromaticContact CE2-NE1 3.68Å; W292-W294 AromaticContact CE3-CE2 4Å; W292-W294 HydrophobicContact CE3-CZ2 4.22Å; W292-W294 AromaticContact CE3-NE1 3.32Å; W292-W294 VanDerWaalsContact CE3-NE1 3.32Å; W292-W294 AromaticContact CH2-CE2 3.53Å; W292-W294 AromaticContact CH2-CH2 3.99Å; W292-W294 HydrophobicContact CH2-CH2 3.99Å; W292-W294 AromaticContact CH2-CZ2 3.18Å; W292-W294 HydrophobicContact CH2-CZ2 3.18Å; W292-W294 AromaticContact CH2-NE1 3.72Å; W292-W294 HydrophobicContact CZ2-CD2 4.39Å; W292-W294 AromaticContact CZ2-CE2 3.75Å; W292-W294 AromaticContact CZ2-CZ2 3.82Å; W292-W294 HydrophobicContact CZ2-CZ2 3.82Å; W292-W294 AromaticContact CZ2-NE1 3.82Å; W292-W294 AromaticContact CZ3-CE2 3.68Å; W292-W294 AromaticContact CZ3-CZ2 3.44Å; W292-W294 HydrophobicContact CZ3-CZ2 3.44Å; W292-W294 VanDerWaalsContact CZ3-CZ2 3.44Å; W292-W294 AromaticContact CZ3-NE1 3.49Å; W292-W294 PolarHBondContact O-N 2.78Å; W292-I298 HydrophobicContact CZ2-CD1 4.06Å; W292-I298 HydrophobicContact CZ2-CG1 3.79Å; W292-L306 HydrophobicContact CE3-CD2 4.36Å; W292-L306 PolarHBondContact N-O 3.27Å; W292-L306 PolarHBondContact O-N 3.45Å
293N98.3Very high97Very high5 Ų521 Ų213%0.02710%0.1CC..EExtended strand (participates in β ladder)trans-88.9109.6175.3-68.64.5000110.6G142 C266 H295 K296 S305G142-N293 WeakPolarHBondContact CA-OD1 3.15Å; G142-N293 PolarHBondContact N-OD1 2.98Å; C266-N293 HydrophobicContact CB-CB 4.34Å; C266-N293 WeakPolarHBondContact O-CB 3.35Å; C266-N293 PolarHBondContact O-N 2.96Å; C266-N293 VanDerWaalsContact O-N 3.11Å; C266-N293 PolarHBondContact SG-OD1 3.21Å; C266-N293 VanDerWaalsContact SG-OD1 3.38Å; N293-H295 PolarHBondContact ND2-CE1 3.25Å; N293-H295 PolarHBondContact ND2-NE2 3.47Å; N293-H295 VanDerWaalsContact ND2-NE2 3.17Å; N293-H295 PolarHBondContact O-N 3.45Å; N293-K296 HydrophobicContact CB-CB 4.14Å; N293-K296 HydrophobicContact CB-CD 3.95Å; N293-K296 HydrophobicContact CB-CG 3.72Å; N293-K296 WeakPolarHBondContact ND2-CE 3.39Å; N293-K296 PolarHBondContact O-N 2.93Å; N293-S305 WeakPolarHBondContact OD1-CB 3.37Å; N293-S305 PolarHBondContact OD1-OG 3.5Å
294W97Very high97Very high0 Ų020.9 Ų20.90%010%0.1CC..THydrogen-bonded Turntrans-69.6-21.6172.4-80.165.8000112.4I125 L273 W292 K296 I298 G299 S300 T304 I355 W359 L367I125-W294 HydrophobicContact CD1-CD2 4.47Å; I125-W294 HydrophobicContact CD1-CH2 4.24Å; I125-W294 HydrophobicContact CD1-CZ2 3.42Å; I125-W294 VanDerWaalsContact CD1-CZ2 3.42Å; I125-W294 HydrophobicContact CG1-CH2 4.09Å; I125-W294 HydrophobicContact CG1-CZ2 3.47Å; I125-W294 VanDerWaalsContact CG1-CZ2 3.47Å; I125-W294 HydrophobicContact CG2-CZ2 4.32Å; L273-W294 HydrophobicContact CD1-CH2 4.16Å; W292-W294 AromaticContact CD2-CD1 3.87Å; W292-W294 AromaticContact CD2-NE1 3.42Å; W292-W294 AromaticContact CE2-NE1 3.68Å; W292-W294 AromaticContact CE3-CE2 4Å; W292-W294 HydrophobicContact CE3-CZ2 4.22Å; W292-W294 AromaticContact CE3-NE1 3.32Å; W292-W294 VanDerWaalsContact CE3-NE1 3.32Å; W292-W294 AromaticContact CH2-CE2 3.53Å; W292-W294 AromaticContact CH2-CH2 3.99Å; W292-W294 HydrophobicContact CH2-CH2 3.99Å; W292-W294 AromaticContact CH2-CZ2 3.18Å; W292-W294 HydrophobicContact CH2-CZ2 3.18Å; W292-W294 AromaticContact CH2-NE1 3.72Å; W292-W294 HydrophobicContact CZ2-CD2 4.39Å; W292-W294 AromaticContact CZ2-CE2 3.75Å; W292-W294 AromaticContact CZ2-CZ2 3.82Å; W292-W294 HydrophobicContact CZ2-CZ2 3.82Å; W292-W294 AromaticContact CZ2-NE1 3.82Å; W292-W294 AromaticContact CZ3-CE2 3.68Å; W292-W294 AromaticContact CZ3-CZ2 3.44Å; W292-W294 HydrophobicContact CZ3-CZ2 3.44Å; W292-W294 VanDerWaalsContact CZ3-CZ2 3.44Å; W292-W294 AromaticContact CZ3-NE1 3.49Å; W292-W294 PolarHBondContact O-N 2.78Å; W294-K296 VanDerWaalsContact C-N 3.3Å; W294-I298 HydrophobicContact CD2-CG1 4.42Å; W294-I298 HydrophobicContact CE3-CB 4.19Å; W294-I298 HydrophobicContact CE3-CG1 4.21Å; W294-I298 HydrophobicContact CE3-CG2 3.71Å; W294-I298 HydrophobicContact CZ3-CG2 3.94Å; W294-I298 CarbonylContact O-C 3.56Å; W294-I298 VanDerWaalsContact O-CB 3.31Å; W294-I298 WeakPolarHBondContact O-CB 3.49Å; W294-G299 PolarHBondContact O-N 3.42Å; W294-S300 WeakPolarHBondContact CB-OG 3.33Å; W294-S300 PolarHBondContact O-N 3.01Å; W294-S300 PolarHBondContact O-OG 3.15Å; W294-T304 PolarHBondContact N-O 2.83Å; W294-I355 HydrophobicContact CB-CD1 3.7Å; W294-I355 HydrophobicContact CB-CG1 4.19Å; W294-I355 HydrophobicContact CD2-CD1 3.75Å; W294-I355 HydrophobicContact CD2-CG1 4.16Å; W294-I355 HydrophobicContact CD2-CG2 4.27Å; W294-I355 HydrophobicContact CE3-CB 4.42Å; W294-I355 HydrophobicContact CE3-CD1 4.02Å; W294-I355 HydrophobicContact CE3-CG1 3.9Å; W294-I355 HydrophobicContact CE3-CG2 3.67Å; W294-I355 HydrophobicContact CG-CD1 3.59Å; W294-I355 HydrophobicContact CG-CG1 4.3Å; W294-I355 HydrophobicContact CH2-CG2 4.31Å; W294-I355 HydrophobicContact CZ3-CG2 3.68Å; W294-W359 AromaticContact CH2-CE3 3.97Å; W294-W359 HydrophobicContact CH2-CE3 3.97Å; W294-W359 HydrophobicContact CH2-CH2 4.3Å; W294-W359 AromaticContact CH2-CZ3 3.4Å; W294-W359 HydrophobicContact CH2-CZ3 3.4Å; W294-W359 VanDerWaalsContact CH2-CZ3 3.4Å; W294-W359 HydrophobicContact CZ2-CZ3 4.07Å; W294-W359 HydrophobicContact CZ3-CE3 4.29Å; W294-W359 HydrophobicContact CZ3-CZ3 4.17Å; W294-L367 HydrophobicContact CH2-CD1 4.42Å; W294-L367 HydrophobicContact CZ3-CD1 4.21Å
295H96.6Very high97Very high17 Ų1720.3 Ų20.38%0.07910%0.097CC..THydrogen-bonded Turntrans-83.8-2.1175.962-87.9000114.1Y84 N293 S300 I302 T304 S305Y84-H295 WeakPolarHBondContact CB-O 3.36Å; N293-H295 PolarHBondContact ND2-CE1 3.25Å; N293-H295 PolarHBondContact ND2-NE2 3.47Å; N293-H295 VanDerWaalsContact ND2-NE2 3.17Å; N293-H295 PolarHBondContact O-N 3.45Å; H295-S300 WeakPolarHBondContact CA-O 3.37Å; H295-S300 WeakPolarHBondContact CA-OG 3.34Å; H295-S300 WeakPolarHBondContact CB-O 3.44Å; H295-S300 PolarHBondContact N-OG 2.99Å; H295-I302 HydrophobicContact CB-CB 4.5Å; H295-I302 HydrophobicContact CB-CG1 3.9Å; H295-T304 VanDerWaalsContact CB-OG1 3.3Å; H295-T304 WeakPolarHBondContact CB-OG1 3.47Å; H295-T304 PolarHBondContact N-OG1 3.05Å; H295-T304 PolarHBondContact ND1-N 3.24Å; H295-T304 PolarHBondContact ND1-O 3.28Å; H295-S305 PolarHBondContact CE1-OG 3.04Å; H295-S305 VanDerWaalsContact CE1-OG 3.3Å
296K96.5Very high97Very high28 Ų2816.1 Ų16.112%0.1228%0.078CC..SBendtrans-84.7-103.4170.9-72.6-173.5-177.5174.90109.4L83 C266 L267 N293 W294 I298 G299L83-K296 HydrophobicContact CB-CD 4.15Å; L83-K296 HydrophobicContact CB-CG 4.3Å; L83-K296 HydrophobicContact CD1-CD 4.38Å; L83-K296 CarbonylContact O-C 3.23Å; L83-K296 WeakPolarHBondContact O-CA 3.28Å; L83-K296 VanDerWaalsContact O-CB 3.29Å; L83-K296 WeakPolarHBondContact O-CB 3.49Å; C266-K296 HydrophobicContact CB-CD 4.46Å; C266-K296 WeakPolarHBondContact O-CD 3.29Å; L267-K296 HydrophobicContact CB-CD 4.2Å; L267-K296 HydrophobicContact CD1-CB 4.34Å; L267-K296 HydrophobicContact CD1-CD 4.25Å; N293-K296 HydrophobicContact CB-CB 4.14Å; N293-K296 HydrophobicContact CB-CD 3.95Å; N293-K296 HydrophobicContact CB-CG 3.72Å; N293-K296 WeakPolarHBondContact ND2-CE 3.39Å; N293-K296 PolarHBondContact O-N 2.93Å; W294-K296 VanDerWaalsContact C-N 3.3Å; K296-I298 PolarHBondContact O-N 3.39Å; K296-G299 PolarHBondContact O-N 2.95Å
297T93.2Very high97Very high1 Ų112.8 Ų12.81%0.0067%0.065CC..THydrogen-bonded Turntrans-62.2-40.4-173.9-45.90000112.8L267 A270 G299 C464L267-T297 PolarHBondContact O-OG1 3.38Å; L267-T297 VanDerWaalsContact O-OG1 3.09Å; A270-T297 HydrophobicContact CB-CG2 3.68Å; T297-G299 VanDerWaalsContact C-N 3.29Å; T297-G299 PolarHBondContact O-N 3.39Å; T297-C464 WeakPolarHBondContact O-CB 3.19Å; T297-C464 PolarHBondContact O-N 2.91Å; T297-C464 PolarHBondContact O-SG 3.49Å
298I94.9Very high97Very high1 Ų112.5 Ų12.51%0.0056%0.063CC..THydrogen-bonded Turntrans-72.8-19.6-177.2-51.2-61.6000112.7A270 L273 W292 W294 K296 S300 M358 L367 V371 C464 H465A270-I298 HydrophobicContact CB-CD1 3.81Å; A270-I298 HydrophobicContact CB-CG1 4.4Å; L273-I298 HydrophobicContact CD1-CD1 3.91Å; W292-I298 HydrophobicContact CZ2-CD1 4.06Å; W292-I298 HydrophobicContact CZ2-CG1 3.79Å; W294-I298 HydrophobicContact CD2-CG1 4.42Å; W294-I298 HydrophobicContact CE3-CB 4.19Å; W294-I298 HydrophobicContact CE3-CG1 4.21Å; W294-I298 HydrophobicContact CE3-CG2 3.71Å; W294-I298 HydrophobicContact CZ3-CG2 3.94Å; W294-I298 CarbonylContact O-C 3.56Å; W294-I298 VanDerWaalsContact O-CB 3.31Å; W294-I298 WeakPolarHBondContact O-CB 3.49Å; K296-I298 PolarHBondContact O-N 3.39Å; I298-S300 PolarHBondContact O-N 3.42Å; I298-M358 HydrophobicContact CG2-CE 4.14Å; I298-L367 HydrophobicContact CG2-CD2 4.22Å; I298-V371 HydrophobicContact CD1-CG2 3.27Å; I298-C464 WeakPolarHBondContact O-CB 3.45Å; I298-H465 PolarHBondContact O-CD2 3.34Å; I298-H465 VanDerWaalsContact O-CD2 3.29Å
299G92.6Very high97Very high2 Ų211.1 Ų11.12%0.0216%0.056CC..  trans75.418172.700000115.9D88 W294 K296 T297D88-G299 PolarHBondContact N-O 2.98Å; D88-G299 VanDerWaalsContact N-O 3.14Å; W294-G299 PolarHBondContact O-N 3.42Å; K296-G299 PolarHBondContact O-N 2.95Å; T297-G299 VanDerWaalsContact C-N 3.29Å; T297-G299 PolarHBondContact O-N 3.39Å
300S96Very high96.9Very high4 Ų417.2 Ų17.23%0.0288%0.082CC..PPolyproline II helixtrans-64.4152166.461.10000110.9W294 H295 I298 T304 M358W294-S300 WeakPolarHBondContact CB-OG 3.33Å; W294-S300 PolarHBondContact O-N 3.01Å; W294-S300 PolarHBondContact O-OG 3.15Å; H295-S300 WeakPolarHBondContact CA-O 3.37Å; H295-S300 WeakPolarHBondContact CA-OG 3.34Å; H295-S300 WeakPolarHBondContact CB-O 3.44Å; H295-S300 PolarHBondContact N-OG 2.99Å; I298-S300 PolarHBondContact O-N 3.42Å; S300-T304 PolarHBondContact OG-OG1 2.9Å; S300-M358 WeakPolarHBondContact CB-SD 3.34Å
301P96.2Very high96.9Very high9 Ų919 Ų196%0.0589%0.09CC..PPolyproline II helixtrans-61.5140.4-179.3-23.833.1000113V87 Q303 K354V87-P301 HydrophobicContact CB-CG 4.31Å; V87-P301 HydrophobicContact CG1-CB 4.31Å; V87-P301 HydrophobicContact CG1-CG 4.36Å; P301-Q303 PolarHBondContact O-N 3.15Å; P301-K354 HydrophobicContact CB-CD 4.17Å; P301-K354 HydrophobicContact CG-CD 4.46Å
302I96.1Very high96.8Very high96 Ų9625.4 Ų25.449%0.49212%0.118SC..SBendtrans-60.6136.6176.1-60.1178.4000109.4Y84 H295 K354Y84-I302 HydrophobicContact CD1-CD1 3.79Å; Y84-I302 HydrophobicContact CD2-CD1 4.06Å; Y84-I302 HydrophobicContact CE1-CD1 4Å; Y84-I302 HydrophobicContact CE2-CD1 4.27Å; Y84-I302 HydrophobicContact CG-CD1 3.83Å; H295-I302 HydrophobicContact CB-CB 4.5Å; H295-I302 HydrophobicContact CB-CG1 3.9Å; I302-K354 PolarHBondContact O-NZ 2.84Å
303Q94Very high96.7Very high66 Ų6627.3 Ų27.331%0.30814%0.138SC..  cis-104.7146.1-4.759.9-159.8-3500110.9A140 P301 D351A140-Q303 VanDerWaalsContact CA-CD 3.41Å; A140-Q303 VanDerWaalsContact CB-OE1 3.23Å; A140-Q303 PolarHBondContact O-OE1 3.15Å; P301-Q303 PolarHBondContact O-N 3.15Å; Q303-D351 WeakPolarHBondContact CG-OD2 3.36Å; Q303-D351 WeakPolarHBondContact O-CB 3.34Å
304T97.3Very high96.6Very high0 Ų027.9 Ų27.90%014%0.141CC..  trans-151.297.5174.449.70000108.2W294 H295 S300 D351 K354 I355W294-T304 PolarHBondContact N-O 2.83Å; H295-T304 VanDerWaalsContact CB-OG1 3.3Å; H295-T304 WeakPolarHBondContact CB-OG1 3.47Å; H295-T304 PolarHBondContact N-OG1 3.05Å; H295-T304 PolarHBondContact ND1-N 3.24Å; H295-T304 PolarHBondContact ND1-O 3.28Å; S300-T304 PolarHBondContact OG-OG1 2.9Å; T304-D351 HydrophobicContact CG2-CB 4.22Å; T304-K354 HydrophobicContact CG2-CB 4.28Å; T304-K354 HydrophobicContact CG2-CD 3.88Å; T304-I355 HydrophobicContact CG2-CD1 4.18Å; T304-I355 HydrophobicContact CG2-CG1 4.22Å
305S98.1Very high96.7Very high0 Ų027.9 Ų27.90%014%0.141CC..EExtended strand (participates in β ladder)trans-126.5114.5-179.1-71.80000110.2F138 C139 G141 G142 N293 H295F138-S305 CarbonylContact C-O 3.31Å; F138-S305 WeakPolarHBondContact CA-O 3.13Å; F138-S305 WeakPolarHBondContact CD1-O 3.19Å; C139-S305 PolarHBondContact N-O 3.22Å; G141-S305 WeakPolarHBondContact CA-OG 3.27Å; G142-S305 PolarHBondContact N-OG 3Å; N293-S305 WeakPolarHBondContact OD1-CB 3.37Å; N293-S305 PolarHBondContact OD1-OG 3.5Å; H295-S305 PolarHBondContact CE1-OG 3.04Å; H295-S305 VanDerWaalsContact CE1-OG 3.3Å
306L98.4Very high96.6Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-79.6135174.2-179.967.6000109.6I122 I125 F138 T291 W292 L308I122-L306 HydrophobicContact CG1-CD1 4.07Å; I125-L306 HydrophobicContact CB-CD2 4.33Å; I125-L306 HydrophobicContact CD1-CD2 4.04Å; I125-L306 HydrophobicContact CG2-CD2 3.56Å; F138-L306 HydrophobicContact CD2-CD1 4.44Å; F138-L306 HydrophobicContact CE1-CB 4.03Å; F138-L306 HydrophobicContact CE2-CD1 4.05Å; F138-L306 HydrophobicContact CZ-CB 4.24Å; F138-L306 HydrophobicContact CZ-CD1 4.1Å; T291-L306 CarbonylContact C-O 3.58Å; T291-L306 WeakPolarHBondContact CA-O 3.44Å; W292-L306 HydrophobicContact CE3-CD2 4.36Å; W292-L306 PolarHBondContact N-O 3.27Å; W292-L306 PolarHBondContact O-N 3.45Å; L306-L308 HydrophobicContact CD1-CD2 3.91Å; L306-L308 HydrophobicContact CD1-CG 4.31Å; L306-L308 HydrophobicContact CD2-CD1 3.92Å; L306-L308 HydrophobicContact CD2-CD2 4.07Å; L306-L308 HydrophobicContact CD2-CG 3.79Å; L306-L308 HydrophobicContact CG-CD2 4.08Å; L306-L308 HydrophobicContact CG-CG 3.92Å
307F98.6Very high96.6Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-112.8132.4161.2175.8-102.5000108.4G136 T137 A145 I152 T291 T309 L315G136-F307 CarbonylContact C-O 3.57Å; G136-F307 WeakPolarHBondContact CA-O 3.35Å; T137-F307 HydrophobicContact CG2-CB 4.24Å; T137-F307 HydrophobicContact CG2-CD1 4.28Å; T137-F307 PolarHBondContact N-O 3.2Å; T137-F307 PolarHBondContact O-N 2.64Å; A145-F307 HydrophobicContact CB-CB 4.42Å; A145-F307 VanDerWaalsContact O-CD2 3.26Å; A145-F307 WeakPolarHBondContact O-CD2 3.17Å; I152-F307 HydrophobicContact CD1-CE1 3.81Å; I152-F307 HydrophobicContact CD1-CZ 3.46Å; I152-F307 VanDerWaalsContact CD1-CZ 3.46Å; I152-F307 HydrophobicContact CG1-CZ 4.09Å; T291-F307 HydrophobicContact CG2-CD2 3.71Å; T291-F307 HydrophobicContact CG2-CE2 4.4Å; F307-T309 HydrophobicContact CE1-CG2 4.24Å; F307-L315 HydrophobicContact CD1-CD1 4.32Å; F307-L315 HydrophobicContact CD1-CD2 4.04Å; F307-L315 HydrophobicContact CE1-CD1 4.39Å; F307-L315 HydrophobicContact CE1-CD2 3.74Å; F307-L315 HydrophobicContact CE1-CG 4.3Å
308L98.8Very high96.8Very high2 Ų233.5 Ų33.51%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-123.3146.8172-64.9-179.5000110.2I122 K126 I129 L131 E135 S289 L290 L306I122-L308 HydrophobicContact CG2-CD2 4.45Å; K126-L308 HydrophobicContact CD-CD2 4.49Å; K126-L308 HydrophobicContact CG-CD2 4.04Å; I129-L308 HydrophobicContact CD1-CD1 3.63Å; L131-L308 HydrophobicContact CD1-CD1 4.37Å; E135-L308 CarbonylContact O-C 3.57Å; E135-L308 VanDerWaalsContact O-CA 3.27Å; E135-L308 WeakPolarHBondContact O-CA 3.49Å; S289-L308 CarbonylContact C-O 3.56Å; S289-L308 WeakPolarHBondContact CA-O 3.31Å; S289-L308 WeakPolarHBondContact CB-O 3.44Å; L290-L308 PolarHBondContact N-O 3.15Å; L290-L308 PolarHBondContact O-N 3.02Å; L306-L308 HydrophobicContact CD1-CD2 3.91Å; L306-L308 HydrophobicContact CD1-CG 4.31Å; L306-L308 HydrophobicContact CD2-CD1 3.92Å; L306-L308 HydrophobicContact CD2-CD2 4.07Å; L306-L308 HydrophobicContact CD2-CG 3.79Å; L306-L308 HydrophobicContact CG-CD2 4.08Å; L306-L308 HydrophobicContact CG-CG 3.92Å
309T98.7Very high96.9Very high1 Ų134.5 Ų34.51%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-135.1145.7168-1770000111.2S134 E135 I152 D288 F307 H311 L315S134-T309 CarbonylContact C-O 3.52Å; S134-T309 WeakPolarHBondContact CA-O 3.4Å; S134-T309 WeakPolarHBondContact CB-O 3.44Å; E135-T309 HydrophobicContact CB-CG2 4Å; E135-T309 PolarHBondContact N-O 3.36Å; E135-T309 PolarHBondContact O-N 3.41Å; I152-T309 HydrophobicContact CD1-CG2 3.98Å; I152-T309 WeakPolarHBondContact CD1-OG1 3.32Å; D288-T309 WeakPolarHBondContact O-CA 3.35Å; D288-T309 PolarHBondContact O-OG1 3.29Å; F307-T309 HydrophobicContact CE1-CG2 4.24Å; T309-H311 PolarHBondContact O-N 3Å; T309-H311 PolarHBondContact OG1-N 3.22Å; T309-L315 HydrophobicContact CG2-CG 4.48Å
310K98.1Very high97.1Very high128 Ų12834.8 Ų34.856%0.55718%0.179SC*.SBendtrans-67.8-19.4172.3-173.8174.7177.6176.20112.7D288 K312D288-K310 PolarHBondContact O-N 2.81Å; K310-K312 PolarHBondContact O-N 3.31Å
311H97.7Very high96.9Very high39 Ų3941.2 Ų41.218%0.18121%0.208CC..SBendtrans-99.491.9-167.5-59.9-80.1000112Y156 W260 D288 T309 G313 L314Y156-H311 AromaticContact CE2-CE1 3.77Å; Y156-H311 AromaticContact CE2-ND1 3.73Å; W260-H311 AromaticContact CH2-CD2 3.35Å; W260-H311 WeakPolarHBondContact CH2-CD2 3.12Å; W260-H311 AromaticContact CH2-NE2 3.87Å; W260-H311 AromaticContact CZ3-CD2 3.46Å; W260-H311 VanDerWaalsContact CZ3-CD2 3.46Å; W260-H311 WeakPolarHBondContact CZ3-CD2 3.3Å; W260-H311 AromaticContact CZ3-NE2 3.52Å; D288-H311 IonicContact OD1-CD2 3.97Å; D288-H311 IonicContact OD1-CE1 2.64Å; D288-H311 IonicContact OD1-NE2 3.62Å; D288-H311 PolarHBondContact OD1-NE2 3.47Å; T309-H311 PolarHBondContact O-N 3Å; T309-H311 PolarHBondContact OG1-N 3.22Å; H311-G313 PolarHBondContact O-N 3.3Å; H311-L314 HydrophobicContact CB-CB 3.86Å; H311-L314 HydrophobicContact CB-CD2 3.64Å; H311-L314 HydrophobicContact CB-CG 4.38Å; H311-L314 VanDerWaalsContact O-CB 3.22Å; H311-L314 WeakPolarHBondContact O-CB 3.5Å; H311-L314 PolarHBondContact O-N 3.02Å
312K96.5Very high96.6Very high134 Ų13446.5 Ų46.558%0.58323%0.232SC*.THydrogen-bonded Turntrans-58.1133.9178.4-62.2-176.6-173.51720111.7D133 E135 K310 L314D133-K312 WeakPolarHBondContact O-CE 3.36Å; D133-K312 WeakPolarHBondContact O-CG 3.34Å; D133-K312 IonicContact OD1-NZ 3.66Å; D133-K312 PolarHBondContact OD1-NZ 3.49Å; E135-K312 WeakPolarHBondContact OE2-CA 3.5Å; K310-K312 PolarHBondContact O-N 3.31Å; K312-L314 VanDerWaalsContact C-N 3.27Å; K312-L314 PolarHBondContact O-N 3.46Å
313G96.2Very high96.4Very high40 Ų4043.1 Ų43.141%0.41222%0.218SC..THydrogen-bonded Turntrans84.3-9.3179.200000114.5E135 H311 K316 S317E135-G313 PolarHBondContact OE2-N 3.05Å; H311-G313 PolarHBondContact O-N 3.3Å; G313-K316 PolarHBondContact O-N 2.95Å; G313-S317 PolarHBondContact O-N 2.97Å
314L97.6Very high96.2Very high17 Ų1744.5 Ų44.59%0.08924%0.235CC..Hα-helixtrans-71.7-32.2-174.7-17164.7000112.5I152 Y156 W260 H311 K312 S317 C318I152-L314 HydrophobicContact CB-CD2 3.92Å; I152-L314 HydrophobicContact CB-CG 4.06Å; I152-L314 HydrophobicContact CD1-CD2 3.98Å; I152-L314 HydrophobicContact CG1-CD2 4.23Å; Y156-L314 HydrophobicContact CD2-CD1 4.31Å; Y156-L314 HydrophobicContact CD2-CD2 4.04Å; Y156-L314 HydrophobicContact CG-CD2 4.42Å; W260-L314 HydrophobicContact CH2-CD2 3.77Å; W260-L314 HydrophobicContact CZ3-CD2 4.1Å; H311-L314 HydrophobicContact CB-CB 3.86Å; H311-L314 HydrophobicContact CB-CD2 3.64Å; H311-L314 HydrophobicContact CB-CG 4.38Å; H311-L314 VanDerWaalsContact O-CB 3.22Å; H311-L314 WeakPolarHBondContact O-CB 3.5Å; H311-L314 PolarHBondContact O-N 3.02Å; K312-L314 VanDerWaalsContact C-N 3.27Å; K312-L314 PolarHBondContact O-N 3.46Å; L314-S317 PolarHBondContact O-OG 3.29Å; L314-C318 WeakPolarHBondContact O-CB 3.43Å; L314-C318 PolarHBondContact O-N 3.04Å
315L97.7Very high95.9Very high1 Ų153.4 Ų53.41%0.00527%0.27CS..Hα-helixtrans-60.8-49.5172.8-77.2172.6000110.9E135 T137 Y148 I152 F307 T309 C318 H319E135-L315 HydrophobicContact CG-CD1 4.02Å; T137-L315 HydrophobicContact CG2-CD1 4.16Å; Y148-L315 HydrophobicContact CD1-CD2 3.52Å; Y148-L315 HydrophobicContact CE1-CD2 3.98Å; I152-L315 HydrophobicContact CG2-CD2 3.95Å; F307-L315 HydrophobicContact CD1-CD1 4.32Å; F307-L315 HydrophobicContact CD1-CD2 4.04Å; F307-L315 HydrophobicContact CE1-CD1 4.39Å; F307-L315 HydrophobicContact CE1-CD2 3.74Å; F307-L315 HydrophobicContact CE1-CG 4.3Å; T309-L315 HydrophobicContact CG2-CG 4.48Å; L315-C318 PolarHBondContact O-N 3.42Å; L315-H319 PolarHBondContact O-N 3.42Å; L315-H319 PolarHBondContact O-ND1 2.94Å
316K96.1Very high95.5Very high102 Ų10254.9 Ų54.944%0.44328%0.278SS..Hα-helixtrans-62.6-50.6177.8-168.2168.4-178.1169.90111G313 C318 H319 S320 S342G313-K316 PolarHBondContact O-N 2.95Å; K316-C318 PolarHBondContact O-N 3.45Å; K316-H319 PolarHBondContact O-N 3.25Å; K316-S320 WeakPolarHBondContact O-CB 3.42Å; K316-S320 PolarHBondContact O-N 3.34Å; K316-S320 PolarHBondContact O-OG 3Å; K316-S342 WeakPolarHBondContact CB-OG 3.5Å
317S96.8Very high95.1Very high49 Ų4956.8 Ų56.834%0.34329%0.286SS..Hα-helixtrans-59.7-36.4-179.580.80000112.5H155 K162 G313 L314H155-S317 PolarHBondContact CD2-OG 2.9Å; H155-S317 PolarHBondContact NE2-O 3.41Å; H155-S317 PolarHBondContact NE2-OG 3.35Å; K162-S317 PolarHBondContact NZ-O 3.16Å; G313-S317 PolarHBondContact O-N 2.97Å; L314-S317 PolarHBondContact O-OG 3.29Å
318C97.6Very high94.6Very high12 Ų1258.9 Ų58.98%0.08130%0.3CS..Hα-helixtrans-72.1-50.7179.6-1760000112I152 H155 K162 L314 L315 K316I152-C318 HydrophobicContact CG2-CB 4.09Å; H155-C318 HydrophobicContact CB-CB 3.98Å; H155-C318 VanDerWaalsContact CB-SG 3.57Å; K162-C318 WeakPolarHBondContact CD-O 3.36Å; K162-C318 WeakPolarHBondContact CE-O 3.38Å; K162-C318 PolarHBondContact NZ-O 3.48Å; L314-C318 WeakPolarHBondContact O-CB 3.43Å; L314-C318 PolarHBondContact O-N 3.04Å; L315-C318 PolarHBondContact O-N 3.42Å; K316-C318 PolarHBondContact O-N 3.45Å
319H96.6Very high93.9Very high23 Ų2367.7 Ų67.711%0.10634%0.341CS..Hα-helixtrans-99.2-22.7-166-56.6128.4000115Y148 S151 L315 K316 Q321 S342 I344Y148-H319 AromaticContact CD1-CE1 3.47Å; Y148-H319 VanDerWaalsContact CD1-CE1 3.47Å; Y148-H319 WeakPolarHBondContact CD1-CE1 3.3Å; Y148-H319 AromaticContact CE1-CE1 3.63Å; Y148-H319 AromaticContact CE1-ND1 3.73Å; S151-H319 PolarHBondContact OG-NE2 3.39Å; S151-H319 VanDerWaalsContact OG-NE2 3.09Å; L315-H319 PolarHBondContact O-N 3.42Å; L315-H319 PolarHBondContact O-ND1 2.94Å; K316-H319 PolarHBondContact O-N 3.25Å; H319-Q321 PolarHBondContact O-N 3.42Å; H319-S342 PolarHBondContact ND1-O 3.05Å; H319-I344 HydrophobicContact CB-CG2 4.46Å; H319-I344 VanDerWaalsContact CD2-CG2 3.44Å; H319-I344 WeakPolarHBondContact CD2-CG2 3.21Å
320S95.2Very high93.3Very high7 Ų776.5 Ų76.55%0.04938%0.382CS..  trans-57.5139.3-173.669.20000112.8K162 K316 H322 D341K162-S320 WeakPolarHBondContact CE-O 3.31Å; K162-S320 PolarHBondContact NZ-O 2.91Å; K162-S320 PolarHBondContact NZ-OG 3.3Å; K316-S320 WeakPolarHBondContact O-CB 3.42Å; K316-S320 PolarHBondContact O-N 3.34Å; K316-S320 PolarHBondContact O-OG 3Å; S320-H322 VanDerWaalsContact CB-CE1 3.45Å; S320-H322 WeakPolarHBondContact CB-CE1 3.48Å; S320-H322 PolarHBondContact OG-CE1 3.41Å; S320-H322 VanDerWaalsContact OG-CE1 3.24Å; S320-H322 PolarHBondContact OG-NE2 2.95Å; S320-D341 WeakPolarHBondContact CA-O 3.14Å; S320-D341 VanDerWaalsContact CA-OD1 3.31Å; S320-D341 WeakPolarHBondContact CA-OD1 3.42Å; S320-D341 VanDerWaalsContact CB-OD2 3.29Å; S320-D341 WeakPolarHBondContact CB-OD2 3.4Å; S320-D341 PolarHBondContact N-O 3.17Å
321Q93.5Very high92.9Very high139 Ų13973.7 Ų73.765%0.6537%0.368SS*.  trans-124.1-2.5169.5-64.5-60.9-51.600112.2H319 A323 D341H319-Q321 PolarHBondContact O-N 3.42Å; Q321-A323 VanDerWaalsContact C-N 3.28Å; Q321-A323 PolarHBondContact O-N 3.35Å; Q321-D341 PolarHBondContact N-OD1 3.45Å
322H89.7Confident92.6Very high121 Ų12180.7 Ų80.756%0.5641%0.406SS*.  trans53.645173.4-52.4-54.7000112.7S320 S324 D341S320-H322 VanDerWaalsContact CB-CE1 3.45Å; S320-H322 WeakPolarHBondContact CB-CE1 3.48Å; S320-H322 PolarHBondContact OG-CE1 3.41Å; S320-H322 VanDerWaalsContact OG-CE1 3.24Å; S320-H322 PolarHBondContact OG-NE2 2.95Å; H322-S324 PolarHBondContact O-N 3.3Å; H322-D341 IonicContact CE1-OD2 3.66Å; H322-D341 IonicContact CG-OD2 3.56Å; H322-D341 PolarHBondContact N-OD1 2.93Å; H322-D341 IonicContact ND1-OD2 3.17Å; H322-D341 PolarHBondContact ND1-OD2 3.2Å
323A91.6Very high92.4Very high24 Ų2476.6 Ų76.620%0.19839%0.387CS..  trans-61.199.9176.700000110Q321 Y325 L326 F327Q321-A323 VanDerWaalsContact C-N 3.28Å; Q321-A323 PolarHBondContact O-N 3.35Å; A323-Y325 HydrophobicContact CB-CD1 4.11Å; A323-Y325 HydrophobicContact CB-CE1 3.61Å; A323-Y325 PolarHBondContact O-N 2.79Å; A323-Y325 VanDerWaalsContact O-N 3.11Å; A323-L326 HydrophobicContact CB-CB 4.42Å; A323-L326 PolarHBondContact O-N 3.44Å; A323-F327 HydrophobicContact CB-CD2 4.36Å; A323-F327 PolarHBondContact O-N 2.86Å
324S90.3Very high92.3Very high95 Ų9579 Ų7966%0.66439%0.39SS*.THydrogen-bonded Turntrans-59.7-27.4-170.956.60000114.2H322 L326H322-S324 PolarHBondContact O-N 3.3Å; S324-L326 VanDerWaalsContact C-N 3.26Å; S324-L326 PolarHBondContact O-N 2.78Å
325Y90.1Very high92Very high187 Ų18780.9 Ų80.973%0.73340%0.403SS*.THydrogen-bonded Turntrans-69.8-22.9175.767.9-96.7000113.4A323A323-Y325 HydrophobicContact CB-CD1 4.11Å; A323-Y325 HydrophobicContact CB-CE1 3.61Å; A323-Y325 PolarHBondContact O-N 2.79Å; A323-Y325 VanDerWaalsContact O-N 3.11Å
326L90.6Very high91.8Very high32 Ų3284.1 Ų84.117%0.16843%0.425CS..THydrogen-bonded Turntrans-107.2-36.8-177-167.959.1000112H106 A323 S324 P328 R331H106-L326 VanDerWaalsContact CD2-CD1 3.42Å; H106-L326 WeakPolarHBondContact CD2-CD1 3.27Å; A323-L326 HydrophobicContact CB-CB 4.42Å; A323-L326 PolarHBondContact O-N 3.44Å; S324-L326 VanDerWaalsContact C-N 3.26Å; S324-L326 PolarHBondContact O-N 2.78Å; L326-P328 VanDerWaalsContact O-CD 3.27Å; L326-P328 WeakPolarHBondContact O-CD 3.36Å; L326-R331 PolarHBondContact O-NH2 3.34Å
327F90.3Very high91.7Very high40 Ų4081.9 Ų81.918%0.17542%0.416CS..SBendtrans-120.564.7-177.1-52.1-69.8000111.1T107 A323 D338 D341T107-F327 HydrophobicContact CG2-CD1 4.24Å; T107-F327 HydrophobicContact CG2-CE1 4.15Å; A323-F327 HydrophobicContact CB-CD2 4.36Å; A323-F327 PolarHBondContact O-N 2.86Å; F327-D338 HydrophobicContact CD1-CB 4.13Å; F327-D338 HydrophobicContact CE1-CB 4.42Å; F327-D341 HydrophobicContact CD1-CB 4.38Å; F327-D341 HydrophobicContact CD2-CB 4Å; F327-D341 HydrophobicContact CE1-CB 4.14Å; F327-D341 HydrophobicContact CE2-CB 3.73Å; F327-D341 HydrophobicContact CG-CB 4.31Å; F327-D341 HydrophobicContact CZ-CB 3.82Å; F327-D341 VanDerWaalsContact CZ-N 3.35Å
328P87.2Confident91.6Very high44 Ų4480.3 Ų80.329%0.28640%0.404SS..  trans-69.3151.1172.332.5-35.3000110.9L326 R331L326-P328 VanDerWaalsContact O-CD 3.27Å; L326-P328 WeakPolarHBondContact O-CD 3.36Å; P328-R331 VanDerWaalsContact CD-NH2 3.29Å
329E83.6Confident91.4Very high186 Ų18681.2 Ų81.287%0.86941%0.407SS*.SBendtrans-72.1-33.7-178.8-63.9-177.2174.800112.9
330E87.5Confident91.3Very high186 Ų18680.4 Ų80.487%0.86941%0.405SS*.  trans-91.2112.5179.4-66-176.3179.800111
331R88.7Confident91.2Very high70 Ų7080.9 Ų80.926%0.26441%0.407SS..  trans-135.5165.6174.7-70.2-73.4-163.9-176.3-4.9110.2E109 L326 P328 Y333 T335E109-R331 IonicContact OE1-NH1 3.27Å; E109-R331 IonicContact OE2-CZ 3.93Å; E109-R331 IonicContact OE2-NH1 2.78Å; E109-R331 PolarHBondContact OE2-NH1 3.34Å; L326-R331 PolarHBondContact O-NH2 3.34Å; P328-R331 VanDerWaalsContact CD-NH2 3.29Å; R331-Y333 HydrophobicContact CB-CD1 4.19Å; R331-Y333 HydrophobicContact CB-CE1 4.02Å; R331-Y333 HydrophobicContact CB-CE2 4.34Å; R331-Y333 HydrophobicContact CB-CG 4.44Å; R331-Y333 HydrophobicContact CG-CE1 4.27Å; R331-Y333 HydrophobicContact CG-CE2 4.42Å; R331-Y333 PolarHBondContact O-N 2.92Å; R331-T335 HydrophobicContact CB-CG2 4.15Å; R331-T335 HydrophobicContact CG-CG2 3.92Å
332L90.6Very high91.3Very high185 Ų18575.5 Ų75.597%0.96939%0.385SS*.SBendtrans-75.62.1174.5-61.5176.3000113.6
333Y94Very high91.5Very high48 Ų4870.2 Ų70.219%0.18836%0.362CS..SBendtrans-148.6169.1-173.159.4-94.4000110Y108 E109 R331 T335 D338Y108-Y333 AromaticContact CD1-CD1 3.96Å; Y108-Y333 HydrophobicContact CD1-CD1 3.96Å; Y108-Y333 AromaticContact CD1-CD2 4Å; Y108-Y333 HydrophobicContact CD1-CD2 4Å; Y108-Y333 HydrophobicContact CD1-CE1 4.22Å; Y108-Y333 HydrophobicContact CD1-CE2 4.29Å; Y108-Y333 AromaticContact CD1-CG 3.84Å; Y108-Y333 HydrophobicContact CD1-CG 3.84Å; Y108-Y333 HydrophobicContact CG-CD2 4.18Å; Y108-Y333 HydrophobicContact CG-CE2 4.27Å; Y108-Y333 HydrophobicContact CG-CG 4.48Å; E109-Y333 HydrophobicContact CB-CE1 3.88Å; E109-Y333 PolarHBondContact N-OH 2.87Å; R331-Y333 HydrophobicContact CB-CD1 4.19Å; R331-Y333 HydrophobicContact CB-CE1 4.02Å; R331-Y333 HydrophobicContact CB-CE2 4.34Å; R331-Y333 HydrophobicContact CB-CG 4.44Å; R331-Y333 HydrophobicContact CG-CE1 4.27Å; R331-Y333 HydrophobicContact CG-CE2 4.42Å; R331-Y333 PolarHBondContact O-N 2.92Å; Y333-T335 PolarHBondContact O-N 3.38Å; Y333-D338 WeakPolarHBondContact CE2-OD1 3.24Å; Y333-D338 PolarHBondContact OH-OD1 3.41Å; Y333-D338 PolarHBondContact OH-OD2 2.81Å
334D93.1Very high91.6Very high90 Ų9073.2 Ų73.248%0.48137%0.373SS..  trans-66.7117.5176.1177.87.3000111.4S336 F337D334-S336 PolarHBondContact O-N 3.29Å; D334-S336 WeakPolarHBondContact OD1-CB 3.17Å; D334-S336 PolarHBondContact OD1-N 3.24Å; D334-S336 PolarHBondContact OD1-OG 3.12Å; D334-S336 WeakPolarHBondContact OD2-CB 3.47Å; D334-S336 PolarHBondContact OD2-OG 2.74Å; D334-F337 HydrophobicContact CB-CD2 3.98Å; D334-F337 HydrophobicContact CB-CE2 4.05Å; D334-F337 VanDerWaalsContact O-CD2 3.25Å; D334-F337 WeakPolarHBondContact O-CD2 3.31Å; D334-F337 PolarHBondContact O-N 2.74Å; D334-F337 VanDerWaalsContact O-N 3.09Å
335T92Very high91.6Very high57 Ų5771 Ų7135%0.3535%0.352SS..G310 helixtrans-64.3-8.3179.960.20000113.5R331 Y333 F337 D338R331-T335 HydrophobicContact CB-CG2 4.15Å; R331-T335 HydrophobicContact CG-CG2 3.92Å; Y333-T335 PolarHBondContact O-N 3.38Å; T335-F337 PolarHBondContact O-N 3.14Å; T335-D338 WeakPolarHBondContact O-CB 3.24Å; T335-D338 PolarHBondContact O-N 3.48Å
336S92Very high91.5Very high69 Ų6965.9 Ų65.948%0.48334%0.343SS..G310 helixtrans-60-21.7168.980.20000113.3D334 D338D334-S336 PolarHBondContact O-N 3.29Å; D334-S336 WeakPolarHBondContact OD1-CB 3.17Å; D334-S336 PolarHBondContact OD1-N 3.24Å; D334-S336 PolarHBondContact OD1-OG 3.12Å; D334-S336 WeakPolarHBondContact OD2-CB 3.47Å; D334-S336 PolarHBondContact OD2-OG 2.74Å; S336-D338 VanDerWaalsContact C-N 3.31Å
337F95Very high91.5Very high56 Ų5668.9 Ų68.925%0.24637%0.367CS..G310 helixtrans-78.7-9.2172.8-65.9-72.4000113.8Y108 V115 L116 M119 D334 T335 I339Y108-F337 HydrophobicContact CD2-CB 3.89Å; Y108-F337 HydrophobicContact CD2-CD1 4.45Å; Y108-F337 HydrophobicContact CD2-CG 4.15Å; Y108-F337 HydrophobicContact CG-CB 4.06Å; V115-F337 HydrophobicContact CG1-CB 4.24Å; V115-F337 HydrophobicContact CG1-CD1 4.35Å; V115-F337 WeakPolarHBondContact CG1-O 3.33Å; L116-F337 HydrophobicContact CD2-CD1 4.11Å; L116-F337 HydrophobicContact CD2-CE1 3.78Å; M119-F337 HydrophobicContact CE-CD1 3.98Å; M119-F337 HydrophobicContact CE-CE1 3.89Å; M119-F337 HydrophobicContact SD-CD1 3.56Å; M119-F337 VanDerWaalsContact SD-CD1 3.56Å; M119-F337 HydrophobicContact SD-CE1 3.88Å; D334-F337 HydrophobicContact CB-CD2 3.98Å; D334-F337 HydrophobicContact CB-CE2 4.05Å; D334-F337 VanDerWaalsContact O-CD2 3.25Å; D334-F337 WeakPolarHBondContact O-CD2 3.31Å; D334-F337 PolarHBondContact O-N 2.74Å; D334-F337 VanDerWaalsContact O-N 3.09Å; T335-F337 PolarHBondContact O-N 3.14Å; F337-I339 PolarHBondContact O-N 2.65Å
338D94.6Very high91.7Very high16 Ų1667.4 Ų67.49%0.08636%0.36CS..  trans-83.182.6175.3-67.2-24.6000110.6T107 Y108 F327 Y333 T335 S336 G340T107-D338 WeakPolarHBondContact CA-OD1 3.39Å; T107-D338 VanDerWaalsContact CB-OD1 3.23Å; T107-D338 WeakPolarHBondContact CB-OD1 3.36Å; T107-D338 HydrophobicContact CG2-CB 4.31Å; Y108-D338 PolarHBondContact N-OD1 3.24Å; F327-D338 HydrophobicContact CD1-CB 4.13Å; F327-D338 HydrophobicContact CE1-CB 4.42Å; Y333-D338 WeakPolarHBondContact CE2-OD1 3.24Å; Y333-D338 PolarHBondContact OH-OD1 3.41Å; Y333-D338 PolarHBondContact OH-OD2 2.81Å; T335-D338 WeakPolarHBondContact O-CB 3.24Å; T335-D338 PolarHBondContact O-N 3.48Å; S336-D338 VanDerWaalsContact C-N 3.31Å; D338-G340 VanDerWaalsContact C-N 3.31Å; D338-G340 PolarHBondContact O-N 3.48Å
339I94.3Very high92.1Very high31 Ų3169.8 Ų69.816%0.15937%0.366CS..G310 helixtrans-80.9-4.4-172.361179.8000114.8L105 H106 V115 E118 F337L105-I339 HydrophobicContact CD2-CD1 4.49Å; L105-I339 HydrophobicContact CG-CD1 4.29Å; H106-I339 PolarHBondContact O-N 3Å; V115-I339 HydrophobicContact CG1-CD1 4.32Å; V115-I339 HydrophobicContact CG2-CD1 4.25Å; V115-I339 HydrophobicContact CG2-CG1 4.44Å; E118-I339 VanDerWaalsContact OE1-CD1 3.25Å; E118-I339 WeakPolarHBondContact OE1-CD1 3.43Å; F337-I339 PolarHBondContact O-N 2.65Å
340G94Very high92.7Very high6 Ų661 Ų616%0.06233%0.325CS..G310 helixtrans-67.3-35-174.900000114.9H106 D338 S342 S343H106-G340 WeakPolarHBondContact O-CA 3.31Å; H106-G340 PolarHBondContact O-N 3.24Å; D338-G340 VanDerWaalsContact C-N 3.31Å; D338-G340 PolarHBondContact O-N 3.48Å; G340-S342 PolarHBondContact O-N 2.91Å; G340-S343 WeakPolarHBondContact O-CB 3.35Å; G340-S343 PolarHBondContact O-N 3.19Å
341D93.1Very high93.1Very high17 Ų1752.7 Ų52.79%0.09129%0.286CS..G310 helixtrans-72.3-14.2-176.2-158.127.7000112.4S320 Q321 H322 F327 S343S320-D341 WeakPolarHBondContact CA-O 3.14Å; S320-D341 VanDerWaalsContact CA-OD1 3.31Å; S320-D341 WeakPolarHBondContact CA-OD1 3.42Å; S320-D341 VanDerWaalsContact CB-OD2 3.29Å; S320-D341 WeakPolarHBondContact CB-OD2 3.4Å; S320-D341 PolarHBondContact N-O 3.17Å; Q321-D341 PolarHBondContact N-OD1 3.45Å; H322-D341 IonicContact CE1-OD2 3.66Å; H322-D341 IonicContact CG-OD2 3.56Å; H322-D341 PolarHBondContact N-OD1 2.93Å; H322-D341 IonicContact ND1-OD2 3.17Å; H322-D341 PolarHBondContact ND1-OD2 3.2Å; F327-D341 HydrophobicContact CD1-CB 4.38Å; F327-D341 HydrophobicContact CD2-CB 4Å; F327-D341 HydrophobicContact CE1-CB 4.14Å; F327-D341 HydrophobicContact CE2-CB 3.73Å; F327-D341 HydrophobicContact CG-CB 4.31Å; F327-D341 HydrophobicContact CZ-CB 3.82Å; F327-D341 VanDerWaalsContact CZ-N 3.35Å; D341-S343 VanDerWaalsContact C-N 3.32Å
342S94.4Very high93.5Very high25 Ų2549.4 Ų49.418%0.17527%0.274CS..G310 helixtrans-83.2-9.4171.5-61.70000113.3K316 H319 G340K316-S342 WeakPolarHBondContact CB-OG 3.5Å; H319-S342 PolarHBondContact ND1-O 3.05Å; G340-S342 PolarHBondContact O-N 2.91Å
343S94.4Very high93.9Very high11 Ų1141.4 Ų41.48%0.07723%0.232CC..SBendtrans-106.6144.8-175157.90000111.7Y148 G340 D341 Q345Y148-S343 WeakPolarHBondContact OH-CA 3.35Å; Y148-S343 VanDerWaalsContact OH-CB 3.31Å; Y148-S343 WeakPolarHBondContact OH-CB 3.34Å; Y148-S343 PolarHBondContact OH-OG 3.22Å; Y148-S343 VanDerWaalsContact OH-OG 3.08Å; G340-S343 WeakPolarHBondContact O-CB 3.35Å; G340-S343 PolarHBondContact O-N 3.19Å; D341-S343 VanDerWaalsContact C-N 3.32Å; S343-Q345 VanDerWaalsContact C-N 3.26Å; S343-Q345 PolarHBondContact OG-N 3.5Å; S343-Q345 PolarHBondContact OG-O 3Å; S343-Q345 VanDerWaalsContact OG-O 3.07Å
344I93.4Very high94.1Very high86 Ų8639.4 Ų39.444%0.44122%0.224SC..SBendtrans-73.6-19.1170.671.2178.9000112.6I144 Y148 H319I144-I344 HydrophobicContact CG2-CD1 4.18Å; Y148-I344 HydrophobicContact CD2-CD1 4.39Å; Y148-I344 HydrophobicContact CE1-CG2 4.41Å; Y148-I344 HydrophobicContact CE2-CD1 3.86Å; Y148-I344 HydrophobicContact CE2-CG1 3.76Å; Y148-I344 PolarHBondContact OH-N 2.94Å; H319-I344 HydrophobicContact CB-CG2 4.46Å; H319-I344 VanDerWaalsContact CD2-CG2 3.44Å; H319-I344 WeakPolarHBondContact CD2-CG2 3.21Å
345Q91.5Very high94.4Very high48 Ų4835.2 Ų35.222%0.22420%0.201CC..  trans-91.9121.5-179.7-65.1-179.6-115.300110.4S343 R348S343-Q345 VanDerWaalsContact C-N 3.26Å; S343-Q345 PolarHBondContact OG-N 3.5Å; S343-Q345 PolarHBondContact OG-O 3Å; S343-Q345 VanDerWaalsContact OG-O 3.07Å; Q345-R348 HydrophobicContact CB-CB 4.37Å
346C86.8Confident94.7Very high81 Ų8135.7 Ų35.755%0.54720%0.197SC..SBendtrans-76.1-43.9170.8176.40000112N104N104-C346 PolarHBondContact ND2-O 2.81Å; N104-C346 PolarHBondContact OD1-O 3.24Å
347S92Very high95Very high94 Ų9434.3 Ų34.366%0.65718%0.184SC*.SBendtrans-97.2113.7169.5-64.20000109.8N104N104-S347 WeakPolarHBondContact OD1-CA 3.49Å
348R93.9Very high95.1Very high10 Ų1031.7 Ų31.74%0.03817%0.172CC..  trans-131.8127.4-176.8-164.8169.969.6109.2-0.4110.6N104 L105 E118 T137 F138 Q345N104-R348 PolarHBondContact OD1-N 2.82Å; N104-R348 PolarHBondContact OD1-O 3.24Å; L105-R348 HydrophobicContact CB-CB 4.44Å; L105-R348 WeakPolarHBondContact CB-O 3.22Å; L105-R348 PolarHBondContact N-O 3.1Å; L105-R348 PolarHBondContact O-NE 2.82Å; L105-R348 PolarHBondContact O-NH2 2.76Å; E118-R348 IonicContact OE1-CZ 3.61Å; E118-R348 VanDerWaalsContact OE1-CZ 3.24Å; E118-R348 IonicContact OE1-NH1 3.24Å; E118-R348 PolarHBondContact OE1-NH1 3.39Å; E118-R348 IonicContact OE1-NH2 3.9Å; E118-R348 PolarHBondContact OE1-NH2 3.37Å; E118-R348 IonicContact OE2-CZ 2.8Å; E118-R348 IonicContact OE2-NH1 2.71Å; E118-R348 PolarHBondContact OE2-NH1 3.25Å; E118-R348 IonicContact OE2-NH2 3.61Å; T137-R348 PolarHBondContact OG1-NH1 2.8Å; F138-R348 PolarHBondContact O-NH1 3.1Å; F138-R348 VanDerWaalsContact O-NH1 3.11Å; Q345-R348 HydrophobicContact CB-CB 4.37Å
349K94.7Very high95.3Very high93 Ų9332.2 Ų32.240%0.40417%0.173SC..  trans-73.5143.3174.5-73.8-166.9171.5-171.30110.2E99 D351E99-K349 WeakPolarHBondContact OE1-CE 3.36Å; E99-K349 IonicContact OE1-NZ 2.74Å; E99-K349 PolarHBondContact OE1-NZ 3.5Å; E99-K349 IonicContact OE2-NZ 3.25Å; E99-K349 PolarHBondContact OE2-NZ 3.04Å; K349-D351 PolarHBondContact O-N 3.11Å
350P96.6Very high95.5Very high3 Ų337.2 Ų37.22%0.01919%0.194CC..  trans-78.354.1175.833.1-36.7000112.8I98 L105 F114 A352 F353I98-P350 HydrophobicContact CB-CG 4.48Å; I98-P350 WeakPolarHBondContact CD1-O 3.29Å; I98-P350 HydrophobicContact CG1-CG 4.08Å; I98-P350 HydrophobicContact CG2-CG 3.8Å; L105-P350 HydrophobicContact CB-CB 4.44Å; L105-P350 HydrophobicContact CD1-CB 4.26Å; L105-P350 HydrophobicContact CD2-CB 4.11Å; F114-P350 HydrophobicContact CB-CB 3.42Å; F114-P350 VanDerWaalsContact CB-CB 3.42Å; F114-P350 HydrophobicContact CB-CG 4.23Å; F114-P350 HydrophobicContact CD1-CB 3.96Å; F114-P350 HydrophobicContact CD1-CG 4.21Å; F114-P350 HydrophobicContact CD2-CB 3.74Å; F114-P350 HydrophobicContact CD2-CG 3.55Å; F114-P350 HydrophobicContact CE1-CG 4.45Å; F114-P350 HydrophobicContact CE2-CB 4.44Å; F114-P350 HydrophobicContact CE2-CG 3.82Å; F114-P350 HydrophobicContact CG-CB 3.44Å; F114-P350 VanDerWaalsContact CG-CB 3.44Å; F114-P350 HydrophobicContact CG-CG 3.75Å; F114-P350 HydrophobicContact CZ-CG 4.25Å; P350-A352 PolarHBondContact O-N 3.28Å; P350-A352 VanDerWaalsContact O-N 3.13Å; P350-F353 VanDerWaalsContact O-CB 3.3Å; P350-F353 WeakPolarHBondContact O-CB 3.39Å; P350-F353 PolarHBondContact O-N 2.98Å
351D96.2Very high95.7Very high10 Ų1039 Ų395%0.05321%0.208CC..THydrogen-bonded Turntrans-62.3-24.2-172.6-77.8-45.9000113.4Q303 T304 K349 F353 K354Q303-D351 WeakPolarHBondContact CG-OD2 3.36Å; Q303-D351 WeakPolarHBondContact O-CB 3.34Å; T304-D351 HydrophobicContact CG2-CB 4.22Å; K349-D351 PolarHBondContact O-N 3.11Å; D351-F353 PolarHBondContact O-N 3.17Å; D351-K354 VanDerWaalsContact O-CB 3.32Å; D351-K354 WeakPolarHBondContact O-CB 3.3Å; D351-K354 PolarHBondContact O-N 3.28Å; D351-K354 VanDerWaalsContact O-N 3.1Å; D351-K354 VanDerWaalsContact OD1-CE 3.26Å; D351-K354 WeakPolarHBondContact OD1-CE 3.38Å; D351-K354 IonicContact OD1-NZ 2.65Å; D351-K354 PolarHBondContact OD1-NZ 3.14Å
352A97.7Very high95.9Very high1 Ų141.2 Ų41.21%0.00822%0.215CC..Hα-helixtrans-58.8-26.5173.400000113E118 F138 P350 K354 I355 W356E118-A352 HydrophobicContact CB-CB 3.68Å; E118-A352 HydrophobicContact CG-CB 3.78Å; F138-A352 HydrophobicContact CD2-CB 3.58Å; F138-A352 HydrophobicContact CE2-CB 3.76Å; F138-A352 HydrophobicContact CG-CB 4.16Å; P350-A352 PolarHBondContact O-N 3.28Å; P350-A352 VanDerWaalsContact O-N 3.13Å; A352-K354 PolarHBondContact O-N 3.48Å; A352-I355 PolarHBondContact O-N 3.47Å; A352-W356 PolarHBondContact O-N 3.02Å
353F98.4Very high96.1Very high17 Ų1741.3 Ų41.38%0.07522%0.22CC..Hα-helixtrans-62.5-29.1177.1-175.9-113000112.7A94 I97 I98 F114 T117 P350 D351 I355 W356 L357A94-F353 HydrophobicContact CB-CD1 3.66Å; A94-F353 HydrophobicContact CB-CE1 3.89Å; I97-F353 HydrophobicContact CB-CE1 4.12Å; I97-F353 HydrophobicContact CD1-CE1 4.14Å; I97-F353 HydrophobicContact CD1-CZ 4.47Å; I97-F353 HydrophobicContact CG2-CE1 3.96Å; I98-F353 HydrophobicContact CD1-CB 4.11Å; I98-F353 HydrophobicContact CD1-CD1 4.18Å; I98-F353 HydrophobicContact CG1-CB 4.39Å; I98-F353 HydrophobicContact CG1-CD1 3.94Å; F114-F353 HydrophobicContact CD1-CB 3.85Å; F114-F353 HydrophobicContact CD1-CD1 4.36Å; F114-F353 AromaticContact CD1-CD2 3.96Å; F114-F353 HydrophobicContact CD1-CD2 3.96Å; F114-F353 AromaticContact CD1-CG 3.8Å; F114-F353 HydrophobicContact CD1-CG 3.8Å; F114-F353 HydrophobicContact CE1-CB 4.03Å; F114-F353 AromaticContact CE1-CD1 3.7Å; F114-F353 HydrophobicContact CE1-CD1 3.7Å; F114-F353 AromaticContact CE1-CD2 3.95Å; F114-F353 HydrophobicContact CE1-CD2 3.95Å; F114-F353 HydrophobicContact CE1-CE1 4.11Å; F114-F353 HydrophobicContact CE1-CE2 4.33Å; F114-F353 AromaticContact CE1-CG 3.61Å; F114-F353 HydrophobicContact CE1-CG 3.61Å; F114-F353 HydrophobicContact CE1-CZ 4.41Å; T117-F353 HydrophobicContact CG2-CD2 3.92Å; T117-F353 HydrophobicContact CG2-CE2 4.31Å; P350-F353 VanDerWaalsContact O-CB 3.3Å; P350-F353 WeakPolarHBondContact O-CB 3.39Å; P350-F353 PolarHBondContact O-N 2.98Å; D351-F353 PolarHBondContact O-N 3.17Å; F353-I355 VanDerWaalsContact C-N 3.34Å; F353-W356 HydrophobicContact CD2-CE3 4Å; F353-W356 HydrophobicContact CE2-CD2 4.46Å; F353-W356 AromaticContact CE2-CE3 3.62Å; F353-W356 HydrophobicContact CE2-CE3 3.62Å; F353-W356 AromaticContact CE2-CZ3 3.88Å; F353-W356 HydrophobicContact CE2-CZ3 3.88Å; F353-W356 HydrophobicContact CZ-CE3 4.48Å; F353-W356 PolarHBondContact O-N 3.26Å; F353-L357 PolarHBondContact O-N 2.92Å
354K98.3Very high96.2Very high7 Ų744.1 Ų44.13%0.0323%0.234CC..Hα-helixtrans-60.3-46.6172.5-60.4166.2177.4171.20111A94 S95 I98 P301 I302 T304 D351 A352 M358A94-K354 HydrophobicContact CB-CB 4.38Å; A94-K354 HydrophobicContact CB-CG 4.21Å; S95-K354 VanDerWaalsContact OG-CE 3.26Å; S95-K354 WeakPolarHBondContact OG-CE 3.45Å; I98-K354 HydrophobicContact CD1-CD 4.48Å; I98-K354 HydrophobicContact CD1-CG 3.83Å; P301-K354 HydrophobicContact CB-CD 4.17Å; P301-K354 HydrophobicContact CG-CD 4.46Å; I302-K354 PolarHBondContact O-NZ 2.84Å; T304-K354 HydrophobicContact CG2-CB 4.28Å; T304-K354 HydrophobicContact CG2-CD 3.88Å; D351-K354 VanDerWaalsContact O-CB 3.32Å; D351-K354 WeakPolarHBondContact O-CB 3.3Å; D351-K354 PolarHBondContact O-N 3.28Å; D351-K354 VanDerWaalsContact O-N 3.1Å; D351-K354 VanDerWaalsContact OD1-CE 3.26Å; D351-K354 WeakPolarHBondContact OD1-CE 3.38Å; D351-K354 IonicContact OD1-NZ 2.65Å; D351-K354 PolarHBondContact OD1-NZ 3.14Å; A352-K354 PolarHBondContact O-N 3.48Å; K354-M358 VanDerWaalsContact O-CG 3.24Å; K354-M358 WeakPolarHBondContact O-CG 3.35Å; K354-M358 PolarHBondContact O-N 2.95Å; K354-M358 VanDerWaalsContact O-N 3.16Å
355I98.3Very high96.4Very high1 Ų147.8 Ų47.81%0.00525%0.249CC..Hα-helixtrans-69.8-40.1178-62.6164.1000110.2V121 F138 W294 T304 A352 F353 L357 M358 W359V121-I355 HydrophobicContact CG1-CB 4.03Å; V121-I355 HydrophobicContact CG1-CD1 4.48Å; V121-I355 HydrophobicContact CG1-CG2 3.62Å; V121-I355 HydrophobicContact CG2-CB 4.44Å; V121-I355 HydrophobicContact CG2-CG2 4.31Å; F138-I355 HydrophobicContact CD1-CD1 4.31Å; F138-I355 HydrophobicContact CE1-CD1 3.23Å; F138-I355 HydrophobicContact CE2-CD1 4.43Å; F138-I355 HydrophobicContact CZ-CD1 3.31Å; W294-I355 HydrophobicContact CB-CD1 3.7Å; W294-I355 HydrophobicContact CB-CG1 4.19Å; W294-I355 HydrophobicContact CD2-CD1 3.75Å; W294-I355 HydrophobicContact CD2-CG1 4.16Å; W294-I355 HydrophobicContact CD2-CG2 4.27Å; W294-I355 HydrophobicContact CE3-CB 4.42Å; W294-I355 HydrophobicContact CE3-CD1 4.02Å; W294-I355 HydrophobicContact CE3-CG1 3.9Å; W294-I355 HydrophobicContact CE3-CG2 3.67Å; W294-I355 HydrophobicContact CG-CD1 3.59Å; W294-I355 HydrophobicContact CG-CG1 4.3Å; W294-I355 HydrophobicContact CH2-CG2 4.31Å; W294-I355 HydrophobicContact CZ3-CG2 3.68Å; T304-I355 HydrophobicContact CG2-CD1 4.18Å; T304-I355 HydrophobicContact CG2-CG1 4.22Å; A352-I355 PolarHBondContact O-N 3.47Å; F353-I355 VanDerWaalsContact C-N 3.34Å; I355-L357 VanDerWaalsContact C-N 3.33Å; I355-L357 PolarHBondContact O-N 3.02Å; I355-M358 WeakPolarHBondContact O-CB 3.39Å; I355-M358 PolarHBondContact O-N 2.77Å; I355-W359 HydrophobicContact CG2-CE3 4.08Å; I355-W359 VanDerWaalsContact O-CB 3.31Å; I355-W359 WeakPolarHBondContact O-CB 3.4Å; I355-W359 PolarHBondContact O-N 3.19Å
356W98.6Very high96.7Very high67 Ų6746.5 Ų46.525%0.25425%0.249SC..Hα-helixtrans-56.3-48178.2-175.187.9000111.5T117 V121 A352 F353 W359 K360T117-W356 HydrophobicContact CG2-CD2 3.84Å; T117-W356 HydrophobicContact CG2-CE3 4.41Å; T117-W356 HydrophobicContact CG2-CG 3.87Å; T117-W356 HydrophobicContact CG2-CZ2 4.45Å; V121-W356 HydrophobicContact CG2-CB 3.55Å; V121-W356 HydrophobicContact CG2-CG 4.22Å; A352-W356 PolarHBondContact O-N 3.02Å; F353-W356 HydrophobicContact CD2-CE3 4Å; F353-W356 HydrophobicContact CE2-CD2 4.46Å; F353-W356 AromaticContact CE2-CE3 3.62Å; F353-W356 HydrophobicContact CE2-CE3 3.62Å; F353-W356 AromaticContact CE2-CZ3 3.88Å; F353-W356 HydrophobicContact CE2-CZ3 3.88Å; F353-W356 HydrophobicContact CZ-CE3 4.48Å; F353-W356 PolarHBondContact O-N 3.26Å; W356-W359 PolarHBondContact O-N 3.07Å; W356-K360 HydrophobicContact CD2-CG 4.12Å; W356-K360 HydrophobicContact CE3-CG 4.15Å; W356-K360 HydrophobicContact CH2-CG 4.1Å; W356-K360 HydrophobicContact CZ2-CD 4.29Å; W356-K360 HydrophobicContact CZ2-CG 4.07Å; W356-K360 HydrophobicContact CZ3-CG 4.13Å; W356-K360 WeakPolarHBondContact O-CG 3.33Å; W356-K360 PolarHBondContact O-N 3.01Å
357L98.5Very high97.3Very high41 Ų4142.8 Ų42.822%0.21522%0.223CC..Hα-helixtrans-70.3-38.1-179.8-168.957.1000112.4Y90 A93 A94 F353 I355 W359 K360 A361Y90-L357 WeakPolarHBondContact O-CD2 3.19Å; A93-L357 HydrophobicContact CB-CD2 4.27Å; A94-L357 HydrophobicContact CB-CB 4.15Å; A94-L357 HydrophobicContact CB-CD2 3.98Å; F353-L357 PolarHBondContact O-N 2.92Å; I355-L357 VanDerWaalsContact C-N 3.33Å; I355-L357 PolarHBondContact O-N 3.02Å; L357-W359 VanDerWaalsContact C-N 3.34Å; L357-W359 PolarHBondContact O-N 3.07Å; L357-K360 PolarHBondContact O-N 3.37Å; L357-A361 PolarHBondContact O-N 3.28Å
358M98.1Very high97.5Very high0 Ų041.4 Ų41.40%021%0.206CC..Hα-helixtrans-57.2-47169.6-73.9172.468.700111.6D88 I298 S300 K354 I355 K360 A361 Y362D88-M358 HydrophobicContact CB-CE 3.74Å; D88-M358 HydrophobicContact CB-CG 4.22Å; D88-M358 HydrophobicContact CB-SD 3.91Å; D88-M358 WeakPolarHBondContact OD1-CG 3.19Å; I298-M358 HydrophobicContact CG2-CE 4.14Å; S300-M358 WeakPolarHBondContact CB-SD 3.34Å; K354-M358 VanDerWaalsContact O-CG 3.24Å; K354-M358 WeakPolarHBondContact O-CG 3.35Å; K354-M358 PolarHBondContact O-N 2.95Å; K354-M358 VanDerWaalsContact O-N 3.16Å; I355-M358 WeakPolarHBondContact O-CB 3.39Å; I355-M358 PolarHBondContact O-N 2.77Å; M358-K360 VanDerWaalsContact C-N 3.32Å; M358-K360 PolarHBondContact O-N 2.85Å; M358-A361 PolarHBondContact O-N 2.78Å; M358-A361 VanDerWaalsContact O-N 3.13Å; M358-Y362 HydrophobicContact CB-CD2 4.36Å; M358-Y362 WeakPolarHBondContact O-CD2 3.44Å; M358-Y362 PolarHBondContact O-N 2.98Å
359W98.1Very high97.7Very high27 Ų2744.3 Ų44.310%0.10223%0.228CC..Hα-helixtrans-65-37.6179.8-153.9-57.7000111.5M124 I125 A128 W294 I355 W356 L357 A361 G363 L364 L367M124-W359 HydrophobicContact CB-CH2 4Å; M124-W359 HydrophobicContact CB-CZ2 3.83Å; M124-W359 HydrophobicContact CB-CZ3 4.43Å; M124-W359 HydrophobicContact CE-CZ2 4.03Å; I125-W359 HydrophobicContact CD1-CZ3 4.45Å; I125-W359 HydrophobicContact CG1-CH2 4Å; I125-W359 HydrophobicContact CG1-CZ3 3.51Å; A128-W359 HydrophobicContact CB-CH2 4.25Å; A128-W359 HydrophobicContact CB-CZ2 4.5Å; W294-W359 AromaticContact CH2-CE3 3.97Å; W294-W359 HydrophobicContact CH2-CE3 3.97Å; W294-W359 HydrophobicContact CH2-CH2 4.3Å; W294-W359 AromaticContact CH2-CZ3 3.4Å; W294-W359 HydrophobicContact CH2-CZ3 3.4Å; W294-W359 VanDerWaalsContact CH2-CZ3 3.4Å; W294-W359 HydrophobicContact CZ2-CZ3 4.07Å; W294-W359 HydrophobicContact CZ3-CE3 4.29Å; W294-W359 HydrophobicContact CZ3-CZ3 4.17Å; I355-W359 HydrophobicContact CG2-CE3 4.08Å; I355-W359 VanDerWaalsContact O-CB 3.31Å; I355-W359 WeakPolarHBondContact O-CB 3.4Å; I355-W359 PolarHBondContact O-N 3.19Å; W356-W359 PolarHBondContact O-N 3.07Å; L357-W359 VanDerWaalsContact C-N 3.34Å; L357-W359 PolarHBondContact O-N 3.07Å; W359-A361 VanDerWaalsContact C-N 3.3Å; W359-A361 PolarHBondContact O-N 2.85Å; W359-G363 VanDerWaalsContact O-CA 3.24Å; W359-G363 WeakPolarHBondContact O-CA 3.39Å; W359-G363 PolarHBondContact O-N 3.42Å; W359-L364 HydrophobicContact CH2-CD1 4.33Å; W359-L364 HydrophobicContact CZ2-CB 4.26Å; W359-L364 HydrophobicContact CZ2-CD1 3.94Å; W359-L367 HydrophobicContact CB-CD1 4.49Å; W359-L367 HydrophobicContact CD2-CD1 3.74Å; W359-L367 HydrophobicContact CE3-CD1 3.75Å; W359-L367 HydrophobicContact CG-CD1 4.09Å; W359-L367 HydrophobicContact CZ3-CD1 4.25Å
360K98.3Very high97.8Very high137 Ų13741.4 Ų41.460%0.59622%0.216SC*.Hα-helixtrans-63-35.7172.8-72.9-66.5-176.4-172.90112.5W356 L357 M358W356-K360 HydrophobicContact CD2-CG 4.12Å; W356-K360 HydrophobicContact CE3-CG 4.15Å; W356-K360 HydrophobicContact CH2-CG 4.1Å; W356-K360 HydrophobicContact CZ2-CD 4.29Å; W356-K360 HydrophobicContact CZ2-CG 4.07Å; W356-K360 HydrophobicContact CZ3-CG 4.13Å; W356-K360 WeakPolarHBondContact O-CG 3.33Å; W356-K360 PolarHBondContact O-N 3.01Å; L357-K360 PolarHBondContact O-N 3.37Å; M358-K360 VanDerWaalsContact C-N 3.32Å; M358-K360 PolarHBondContact O-N 2.85Å
361A98.3Very high97.8Very high42 Ų4241.3 Ų41.335%0.34722%0.215SC..Hα-helixtrans-77.7-39.9-179.400000113.4Y90 L357 M358 W359Y90-A361 HydrophobicContact CD1-CB 3.66Å; Y90-A361 HydrophobicContact CD2-CB 3.49Å; Y90-A361 VanDerWaalsContact CD2-CB 3.49Å; Y90-A361 HydrophobicContact CE1-CB 3.7Å; Y90-A361 HydrophobicContact CE2-CB 3.51Å; Y90-A361 HydrophobicContact CG-CB 3.55Å; L357-A361 PolarHBondContact O-N 3.28Å; M358-A361 PolarHBondContact O-N 2.78Å; M358-A361 VanDerWaalsContact O-N 3.13Å; W359-A361 VanDerWaalsContact C-N 3.3Å; W359-A361 PolarHBondContact O-N 2.85Å
362Y97.7Very high97.9Very high65 Ų6542.4 Ų42.426%0.25522%0.22SC..Hα-helixtrans-102.7-26-172.1-63.4-57000114.5D88 Y90 M358 G366 L367 L370D88-Y362 WeakPolarHBondContact OD2-CE2 3.4Å; D88-Y362 PolarHBondContact OD2-OH 3.11Å; Y90-Y362 HydrophobicContact CD2-CE1 4.34Å; Y90-Y362 AromaticContact CD2-CE2 3.67Å; Y90-Y362 HydrophobicContact CD2-CE2 3.67Å; Y90-Y362 AromaticContact CD2-CZ 3.55Å; Y90-Y362 WeakPolarHBondContact CD2-OH 3.23Å; Y90-Y362 AromaticContact CE2-CE1 3.85Å; Y90-Y362 HydrophobicContact CE2-CE1 3.85Å; Y90-Y362 HydrophobicContact CE2-CE2 4.04Å; Y90-Y362 AromaticContact CE2-CZ 3.47Å; Y90-Y362 VanDerWaalsContact CE2-CZ 3.47Å; Y90-Y362 VanDerWaalsContact CE2-OH 3.3Å; Y90-Y362 WeakPolarHBondContact CE2-OH 3.22Å; M358-Y362 HydrophobicContact CB-CD2 4.36Å; M358-Y362 WeakPolarHBondContact O-CD2 3.44Å; M358-Y362 PolarHBondContact O-N 2.98Å; Y362-G366 WeakPolarHBondContact O-CA 3.43Å; Y362-G366 PolarHBondContact O-N 3.23Å; Y362-G366 VanDerWaalsContact O-N 3.16Å; Y362-L367 HydrophobicContact CD2-CD2 4.23Å; Y362-L370 HydrophobicContact CD2-CD1 4.39Å; Y362-L370 HydrophobicContact CE2-CD1 4.41Å; Y362-L370 HydrophobicContact CG-CD1 4.48Å
363G98Very high97.9Very high27 Ų2745 Ų4528%0.27823%0.232SC..Hα-helixtrans61.9-179.7-161.900000112.5W359 E365 L367W359-G363 VanDerWaalsContact O-CA 3.24Å; W359-G363 WeakPolarHBondContact O-CA 3.39Å; W359-G363 PolarHBondContact O-N 3.42Å; G363-E365 VanDerWaalsContact C-N 3.33Å; G363-L367 WeakPolarHBondContact O-CG 3.17Å; G363-L367 PolarHBondContact O-N 3.47Å
364L97.4Very high97.8Very high69 Ų6944.3 Ų44.336%0.36123%0.229SC..Hα-helixtrans-66.8-36.8176.7179.258.4000111.7A128 L273 W359 L367 K368A128-L364 HydrophobicContact CB-CD1 3.85Å; A128-L364 HydrophobicContact CB-CD2 3.98Å; L273-L364 HydrophobicContact CD2-CD1 4.04Å; W359-L364 HydrophobicContact CH2-CD1 4.33Å; W359-L364 HydrophobicContact CZ2-CB 4.26Å; W359-L364 HydrophobicContact CZ2-CD1 3.94Å; L364-L367 PolarHBondContact O-N 2.85Å; L364-K368 WeakPolarHBondContact O-CB 3.23Å; L364-K368 PolarHBondContact O-N 3.2Å
365E97.9Very high97.8Very high164 Ų16444.1 Ų44.177%0.76623%0.228SC*.Hα-helixtrans-63-46.2179.2-64.9-178.1169.100111.9G363 K368 S369G363-E365 VanDerWaalsContact C-N 3.33Å; E365-K368 WeakPolarHBondContact O-CB 3.41Å; E365-K368 PolarHBondContact O-N 3.18Å; E365-S369 PolarHBondContact O-N 3.45Å; E365-S369 PolarHBondContact O-OG 3.04Å
366G97.7Very high97.7Very high21 Ų2147.2 Ų47.222%0.21624%0.243CC..Hα-helixtrans-64.3-41.6177.200000112.5Y362 K368 S369 L370Y362-G366 WeakPolarHBondContact O-CA 3.43Å; Y362-G366 PolarHBondContact O-N 3.23Å; Y362-G366 VanDerWaalsContact O-N 3.16Å; G366-K368 VanDerWaalsContact C-N 3.34Å; G366-K368 PolarHBondContact O-N 2.94Å; G366-S369 PolarHBondContact O-N 3.21Å; G366-L370 WeakPolarHBondContact O-CG 3.49Å; G366-L370 PolarHBondContact O-N 3.13Å
367L97.6Very high97.6Very high2 Ų244.2 Ų44.21%0.0123%0.231CC..Hα-helixtrans-61.4-41.8174.3-69.4172.1000111.8L273 W294 I298 W359 Y362 G363 L364 L370 V371L273-L367 HydrophobicContact CD1-CB 4.31Å; W294-L367 HydrophobicContact CH2-CD1 4.42Å; W294-L367 HydrophobicContact CZ3-CD1 4.21Å; I298-L367 HydrophobicContact CG2-CD2 4.22Å; W359-L367 HydrophobicContact CB-CD1 4.49Å; W359-L367 HydrophobicContact CD2-CD1 3.74Å; W359-L367 HydrophobicContact CE3-CD1 3.75Å; W359-L367 HydrophobicContact CG-CD1 4.09Å; W359-L367 HydrophobicContact CZ3-CD1 4.25Å; Y362-L367 HydrophobicContact CD2-CD2 4.23Å; G363-L367 WeakPolarHBondContact O-CG 3.17Å; G363-L367 PolarHBondContact O-N 3.47Å; L364-L367 PolarHBondContact O-N 2.85Å; L367-L370 PolarHBondContact O-N 2.84Å; L367-V371 WeakPolarHBondContact O-CG2 3.22Å; L367-V371 PolarHBondContact O-N 3.09Å; L367-V371 VanDerWaalsContact O-N 3.11Å
368K97.5Very high97.6Very high66 Ų6642.2 Ų42.229%0.28722%0.221SC..Hα-helixtrans-59.6-49.2173.8171.6-179176-178.30111.4L273 S275 L364 E365 G366 L370 V371 E372L273-K368 WeakPolarHBondContact O-CG 3.29Å; S275-K368 PolarHBondContact OG-NZ 2.89Å; L364-K368 WeakPolarHBondContact O-CB 3.23Å; L364-K368 PolarHBondContact O-N 3.2Å; E365-K368 WeakPolarHBondContact O-CB 3.41Å; E365-K368 PolarHBondContact O-N 3.18Å; G366-K368 VanDerWaalsContact C-N 3.34Å; G366-K368 PolarHBondContact O-N 2.94Å; K368-L370 VanDerWaalsContact C-N 3.29Å; K368-L370 PolarHBondContact O-N 2.67Å; K368-V371 PolarHBondContact O-N 2.94Å; K368-E372 WeakPolarHBondContact CE-OE1 3.48Å; K368-E372 HydrophobicContact CG-CG 4.42Å; K368-E372 IonicContact NZ-OE1 3.13Å; K368-E372 WeakPolarHBondContact O-CG 3.2Å; K368-E372 PolarHBondContact O-N 2.92Å
369S97.7Very high97.5Very high71 Ų7145.7 Ų45.750%0.49724%0.237SC..Hα-helixtrans-61.1-37.2179.5-62.80000112.6E365 G366 E372 K373E365-S369 PolarHBondContact O-N 3.45Å; E365-S369 PolarHBondContact O-OG 3.04Å; G366-S369 PolarHBondContact O-N 3.21Å; S369-E372 PolarHBondContact O-N 2.86Å; S369-K373 WeakPolarHBondContact O-CB 3.29Å; S369-K373 PolarHBondContact O-N 3.29Å
370L96.9Very high97.5Very high32 Ų3246.7 Ų46.717%0.16824%0.241CC..Hα-helixtrans-63.3-44.1175-73.2169.8000112Y362 G366 L367 K368 K373 A374 C464Y362-L370 HydrophobicContact CD2-CD1 4.39Å; Y362-L370 HydrophobicContact CE2-CD1 4.41Å; Y362-L370 HydrophobicContact CG-CD1 4.48Å; G366-L370 WeakPolarHBondContact O-CG 3.49Å; G366-L370 PolarHBondContact O-N 3.13Å; L367-L370 PolarHBondContact O-N 2.84Å; K368-L370 VanDerWaalsContact C-N 3.29Å; K368-L370 PolarHBondContact O-N 2.67Å; L370-K373 PolarHBondContact O-N 3.49Å; L370-A374 PolarHBondContact O-N 3.23Å; L370-A374 VanDerWaalsContact O-N 3.17Å; L370-C464 HydrophobicContact CB-CB 3.9Å; L370-C464 PolarHBondContact O-SG 2.93Å
371V97.6Very high97.4Very high0 Ų040.2 Ų40.20%021%0.213CC..Hα-helixtrans-62.1-50.1175.2169.50000110.8A270 L273 I298 L367 K368 K373 A374 F375A270-V371 HydrophobicContact CB-CG1 4.36Å; A270-V371 HydrophobicContact CB-CG2 4.18Å; A270-V371 WeakPolarHBondContact O-CG1 3.35Å; L273-V371 HydrophobicContact CB-CG2 4.42Å; L273-V371 HydrophobicContact CD1-CG2 4.31Å; I298-V371 HydrophobicContact CD1-CG2 3.27Å; L367-V371 WeakPolarHBondContact O-CG2 3.22Å; L367-V371 PolarHBondContact O-N 3.09Å; L367-V371 VanDerWaalsContact O-N 3.11Å; K368-V371 PolarHBondContact O-N 2.94Å; V371-K373 VanDerWaalsContact C-N 3.27Å; V371-K373 PolarHBondContact O-N 3.39Å; V371-A374 WeakPolarHBondContact O-CB 3.5Å; V371-A374 PolarHBondContact O-N 2.91Å; V371-A374 VanDerWaalsContact O-N 3.08Å; V371-F375 HydrophobicContact CG1-CD2 4.03Å; V371-F375 HydrophobicContact CG1-CE2 3.85Å; V371-F375 VanDerWaalsContact O-CD2 3.28Å; V371-F375 WeakPolarHBondContact O-CD2 3.48Å; V371-F375 PolarHBondContact O-N 2.83Å; V371-F375 VanDerWaalsContact O-N 3.16Å
372E97.5Very high97.4Very high34 Ų3438.2 Ų38.216%0.15920%0.197CC..Hα-helixtrans-58.5-42.8-178.9-74.1177.3167.400111S274 Y277 K368 S369 A374 F375 E376S274-E372 WeakPolarHBondContact OG-CG 3.44Å; S274-E372 PolarHBondContact OG-OE1 2.97Å; Y277-E372 HydrophobicContact CD2-CG 4.32Å; Y277-E372 HydrophobicContact CE2-CB 4.49Å; Y277-E372 HydrophobicContact CE2-CG 4.23Å; K368-E372 WeakPolarHBondContact CE-OE1 3.48Å; K368-E372 HydrophobicContact CG-CG 4.42Å; K368-E372 IonicContact NZ-OE1 3.13Å; K368-E372 WeakPolarHBondContact O-CG 3.2Å; K368-E372 PolarHBondContact O-N 2.92Å; S369-E372 PolarHBondContact O-N 2.86Å; E372-A374 VanDerWaalsContact C-N 3.32Å; E372-A374 PolarHBondContact O-N 3.48Å; E372-F375 PolarHBondContact O-N 3.46Å; E372-E376 WeakPolarHBondContact O-CB 3.45Å; E372-E376 VanDerWaalsContact O-CG 3.26Å; E372-E376 WeakPolarHBondContact O-CG 3.5Å; E372-E376 PolarHBondContact O-N 2.79Å
373K97.5Very high97.3Very high56 Ų5640.9 Ų40.924%0.24321%0.211CC..Hα-helixtrans-60.8-38.2175.9-174.354.4175165.80113.2S369 L370 V371 N377 M468 F470S369-K373 WeakPolarHBondContact O-CB 3.29Å; S369-K373 PolarHBondContact O-N 3.29Å; L370-K373 PolarHBondContact O-N 3.49Å; V371-K373 VanDerWaalsContact C-N 3.27Å; V371-K373 PolarHBondContact O-N 3.39Å; K373-N377 PolarHBondContact NZ-OD1 2.87Å; K373-N377 WeakPolarHBondContact O-CB 3.34Å; K373-N377 VanDerWaalsContact O-CG 3.22Å; K373-N377 PolarHBondContact O-N 3.37Å; K373-N377 PolarHBondContact O-ND2 3.42Å; K373-M468 VanDerWaalsContact CE-O 3.27Å; K373-M468 WeakPolarHBondContact CE-O 3.29Å; K373-F470 VanDerWaalsContact NZ-CE1 3.3Å
374A96.6Very high97.3Very high2 Ų244.2 Ų44.22%0.01722%0.215CC..Hα-helixtrans-65-40.117700000112L370 V371 E372 A378 F462L370-A374 PolarHBondContact O-N 3.23Å; L370-A374 VanDerWaalsContact O-N 3.17Å; V371-A374 WeakPolarHBondContact O-CB 3.5Å; V371-A374 PolarHBondContact O-N 2.91Å; V371-A374 VanDerWaalsContact O-N 3.08Å; E372-A374 VanDerWaalsContact C-N 3.32Å; E372-A374 PolarHBondContact O-N 3.48Å; A374-A378 PolarHBondContact O-N 3.25Å; A374-F462 HydrophobicContact CB-CB 4.16Å; A374-F462 VanDerWaalsContact O-CB 3.26Å; A374-F462 WeakPolarHBondContact O-CB 3.34Å
375F97.3Very high97.3Very high3 Ų341 Ų411%0.01320%0.198CC..Hα-helixtrans-72.5-41.3177.3-78.6-121.2000111.8A271 Y277 L280 V371 E372 N377 A378 E379 C401A271-F375 HydrophobicContact CB-CE1 4.36Å; A271-F375 HydrophobicContact CB-CZ 4.03Å; Y277-F375 HydrophobicContact CD1-CB 4.33Å; Y277-F375 AromaticContact CD1-CD1 3.41Å; Y277-F375 HydrophobicContact CD1-CD1 3.41Å; Y277-F375 VanDerWaalsContact CD1-CD1 3.41Å; Y277-F375 HydrophobicContact CD1-CE1 4.03Å; Y277-F375 HydrophobicContact CD1-CG 4.19Å; Y277-F375 HydrophobicContact CD2-CB 3.84Å; Y277-F375 AromaticContact CD2-CD1 3.75Å; Y277-F375 HydrophobicContact CD2-CD1 3.75Å; Y277-F375 HydrophobicContact CD2-CD2 4.47Å; Y277-F375 HydrophobicContact CD2-CE1 4.39Å; Y277-F375 AromaticContact CD2-CG 3.78Å; Y277-F375 HydrophobicContact CD2-CG 3.78Å; Y277-F375 HydrophobicContact CE1-CB 3.86Å; Y277-F375 AromaticContact CE1-CD1 3.73Å; Y277-F375 HydrophobicContact CE1-CD1 3.73Å; Y277-F375 HydrophobicContact CE1-CG 4.21Å; Y277-F375 HydrophobicContact CE2-CB 3.32Å; Y277-F375 HydrophobicContact CE2-CD1 4.06Å; Y277-F375 AromaticContact CE2-CG 3.83Å; Y277-F375 HydrophobicContact CE2-CG 3.83Å; Y277-F375 HydrophobicContact CG-CB 4.31Å; Y277-F375 AromaticContact CG-CD1 3.42Å; Y277-F375 HydrophobicContact CG-CD1 3.42Å; Y277-F375 VanDerWaalsContact CG-CD1 3.42Å; Y277-F375 AromaticContact CG-CE1 3.83Å; Y277-F375 HydrophobicContact CG-CE1 3.83Å; Y277-F375 AromaticContact CG-CG 3.97Å; Y277-F375 HydrophobicContact CG-CG 3.97Å; L280-F375 HydrophobicContact CD1-CE1 3.77Å; V371-F375 HydrophobicContact CG1-CD2 4.03Å; V371-F375 HydrophobicContact CG1-CE2 3.85Å; V371-F375 VanDerWaalsContact O-CD2 3.28Å; V371-F375 WeakPolarHBondContact O-CD2 3.48Å; V371-F375 PolarHBondContact O-N 2.83Å; V371-F375 VanDerWaalsContact O-N 3.16Å; E372-F375 PolarHBondContact O-N 3.46Å; F375-N377 VanDerWaalsContact C-N 3.29Å; F375-N377 PolarHBondContact O-N 3.02Å; F375-A378 WeakPolarHBondContact O-CA 3.49Å; F375-A378 WeakPolarHBondContact O-CB 3.45Å; F375-A378 PolarHBondContact O-N 2.86Å; F375-E379 PolarHBondContact O-N 2.62Å; F375-C401 HydrophobicContact CD2-CB 3.76Å; F375-C401 HydrophobicContact CE2-CB 3.84Å; F375-C401 HydrophobicContact CG-CB 4.26Å; F375-C401 HydrophobicContact CZ-CB 4.4Å
376E97.3Very high97.2Very high66 Ų6639.6 Ų39.631%0.30819%0.186SC..Hα-helixtrans-60.4-38.3174.5-73.6170.517700112.1K276 E372 A378 E379 Y380K276-E376 IonicContact NZ-OE1 3.12Å; E372-E376 WeakPolarHBondContact O-CB 3.45Å; E372-E376 VanDerWaalsContact O-CG 3.26Å; E372-E376 WeakPolarHBondContact O-CG 3.5Å; E372-E376 PolarHBondContact O-N 2.79Å; E376-A378 VanDerWaalsContact C-N 3.3Å; E376-A378 PolarHBondContact O-N 2.8Å; E376-E379 PolarHBondContact O-N 2.63Å; E376-Y380 VanDerWaalsContact O-CB 3.25Å; E376-Y380 WeakPolarHBondContact O-CB 3.16Å; E376-Y380 PolarHBondContact O-N 2.94Å
377N97.1Very high97.1Very high3 Ų342.2 Ų42.22%0.01621%0.206CC..Hα-helixtrans-64.9-34173.9-75.7-23.5000112.3K373 F375 L381 F462 M468 F470 V473K373-N377 PolarHBondContact NZ-OD1 2.87Å; K373-N377 WeakPolarHBondContact O-CB 3.34Å; K373-N377 VanDerWaalsContact O-CG 3.22Å; K373-N377 PolarHBondContact O-N 3.37Å; K373-N377 PolarHBondContact O-ND2 3.42Å; F375-N377 VanDerWaalsContact C-N 3.29Å; F375-N377 PolarHBondContact O-N 3.02Å; N377-L381 WeakPolarHBondContact O-CB 3.24Å; N377-L381 PolarHBondContact O-N 2.9Å; N377-F462 HydrophobicContact CB-CD1 3.51Å; N377-F462 HydrophobicContact CB-CD2 4.25Å; N377-F462 HydrophobicContact CB-CE1 3.61Å; N377-F462 HydrophobicContact CB-CE2 4.33Å; N377-F462 HydrophobicContact CB-CG 3.84Å; N377-F462 HydrophobicContact CB-CZ 4.02Å; N377-F462 WeakPolarHBondContact O-CE2 3.25Å; N377-F462 WeakPolarHBondContact O-CZ 3.33Å; N377-M468 PolarHBondContact ND2-O 3.17Å; N377-M468 PolarHBondContact OD1-O 3.03Å; N377-F470 WeakPolarHBondContact OD1-CD1 3.31Å; N377-F470 WeakPolarHBondContact OD1-CE1 3.3Å; N377-V473 HydrophobicContact CB-CG2 4.48Å
378A96.6Very high97Very high0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-69.2-43.6173.900000111.8A374 F375 E376 L381 A382 N398 V403 F462A374-A378 PolarHBondContact O-N 3.25Å; F375-A378 WeakPolarHBondContact O-CA 3.49Å; F375-A378 WeakPolarHBondContact O-CB 3.45Å; F375-A378 PolarHBondContact O-N 2.86Å; E376-A378 VanDerWaalsContact C-N 3.3Å; E376-A378 PolarHBondContact O-N 2.8Å; A378-L381 PolarHBondContact O-N 2.8Å; A378-A382 WeakPolarHBondContact O-CB 3.34Å; A378-A382 PolarHBondContact O-N 3.49Å; A378-N398 WeakPolarHBondContact CB-ND2 3.28Å; A378-V403 HydrophobicContact CB-CG2 3.94Å; A378-V403 WeakPolarHBondContact O-CG2 3.43Å; A378-F462 HydrophobicContact CB-CD2 3.75Å; A378-F462 HydrophobicContact CB-CE2 4.15Å
379E97Very high96.8Very high72 Ų7245.5 Ų45.534%0.33623%0.231SC..Hα-helixtrans-58.7-47.9173.2-70.7168.1-173.100111.4K276 Y277 F375 E376 A382 E383K276-E379 IonicContact NZ-OE2 2.7Å; K276-E379 PolarHBondContact NZ-OE2 3.42Å; Y277-E379 WeakPolarHBondContact CE1-OE1 3.19Å; Y277-E379 VanDerWaalsContact CZ-OE1 3.26Å; Y277-E379 PolarHBondContact OH-OE1 2.97Å; Y277-E379 PolarHBondContact OH-OE2 3.16Å; F375-E379 PolarHBondContact O-N 2.62Å; E376-E379 PolarHBondContact O-N 2.63Å; E379-A382 PolarHBondContact O-N 3.03Å; E379-E383 PolarHBondContact O-N 3.46Å
380Y97.3Very high96.7Very high48 Ų4845.6 Ų45.619%0.18822%0.223CC..Hα-helixtrans-61-50.7178.4-175-104.8000111.3E376 A382 E383 R384 F470 V473 D474E376-Y380 VanDerWaalsContact O-CB 3.25Å; E376-Y380 WeakPolarHBondContact O-CB 3.16Å; E376-Y380 PolarHBondContact O-N 2.94Å; Y380-A382 VanDerWaalsContact C-N 3.3Å; Y380-A382 PolarHBondContact O-N 3.32Å; Y380-E383 WeakPolarHBondContact O-CB 3.3Å; Y380-E383 PolarHBondContact O-N 3.13Å; Y380-E383 VanDerWaalsContact O-N 3.12Å; Y380-R384 HydrophobicContact CD1-CG 4.01Å; Y380-R384 HydrophobicContact CD2-CG 4.48Å; Y380-R384 HydrophobicContact CE1-CG 3.67Å; Y380-R384 HydrophobicContact CE2-CG 4.2Å; Y380-R384 HydrophobicContact CG-CG 4.4Å; Y380-R384 VanDerWaalsContact O-CG 3.29Å; Y380-R384 WeakPolarHBondContact O-CG 3.4Å; Y380-R384 PolarHBondContact O-N 2.68Å; Y380-F470 HydrophobicContact CD1-CB 4Å; Y380-F470 AromaticContact CD1-CD1 3.59Å; Y380-F470 HydrophobicContact CD1-CD1 3.59Å; Y380-F470 HydrophobicContact CD1-CE1 4.24Å; Y380-F470 AromaticContact CD1-CG 3.89Å; Y380-F470 HydrophobicContact CD1-CG 3.89Å; Y380-F470 HydrophobicContact CD2-CD1 4.21Å; Y380-F470 HydrophobicContact CD2-CD2 4.28Å; Y380-F470 HydrophobicContact CD2-CE1 4.33Å; Y380-F470 HydrophobicContact CD2-CE2 4.4Å; Y380-F470 HydrophobicContact CD2-CG 4.19Å; Y380-F470 HydrophobicContact CD2-CZ 4.43Å; Y380-F470 HydrophobicContact CE1-CB 3.62Å; Y380-F470 HydrophobicContact CE1-CD1 4.15Å; Y380-F470 AromaticContact CE1-CG 3.97Å; Y380-F470 HydrophobicContact CE1-CG 3.97Å; Y380-F470 HydrophobicContact CE2-CB 4.42Å; Y380-F470 HydrophobicContact CE2-CD2 4.29Å; Y380-F470 HydrophobicContact CE2-CG 4.26Å; Y380-F470 AromaticContact CG-CD1 3.63Å; Y380-F470 HydrophobicContact CG-CD1 3.63Å; Y380-F470 HydrophobicContact CG-CD2 4.49Å; Y380-F470 AromaticContact CG-CE1 3.83Å; Y380-F470 HydrophobicContact CG-CE1 3.83Å; Y380-F470 HydrophobicContact CG-CG 4Å; Y380-F470 HydrophobicContact CG-CZ 4.35Å; Y380-V473 HydrophobicContact CD1-CB 4.03Å; Y380-V473 HydrophobicContact CD1-CG1 3.91Å; Y380-V473 HydrophobicContact CE1-CB 4.25Å; Y380-V473 HydrophobicContact CE1-CG1 4.36Å; Y380-D474 PolarHBondContact OH-OD2 2.94Å; Y380-D474 VanDerWaalsContact OH-OD2 3.04Å
381L97.2Very high96.7Very high2 Ų244.7 Ų44.71%0.0122%0.218CC..Hα-helixtrans-54.9-47.4175.6175.860.7000111.1N377 A378 E383 R384 L385 V403 F405 V460 F462 V473 I477N377-L381 WeakPolarHBondContact O-CB 3.24Å; N377-L381 PolarHBondContact O-N 2.9Å; A378-L381 PolarHBondContact O-N 2.8Å; L381-E383 VanDerWaalsContact C-N 3.31Å; L381-E383 PolarHBondContact O-N 3.39Å; L381-R384 PolarHBondContact O-N 2.91Å; L381-L385 HydrophobicContact CD1-CD1 3.79Å; L381-L385 HydrophobicContact CD1-CD2 4.21Å; L381-L385 HydrophobicContact CD1-CG 3.82Å; L381-L385 HydrophobicContact CD2-CD1 4.47Å; L381-L385 HydrophobicContact CG-CD1 3.78Å; L381-L385 HydrophobicContact CG-CG 4.23Å; L381-L385 WeakPolarHBondContact O-CB 3.21Å; L381-L385 WeakPolarHBondContact O-CG 3.33Å; L381-L385 PolarHBondContact O-N 3.32Å; L381-V403 HydrophobicContact CB-CG2 4.19Å; L381-V403 HydrophobicContact CD2-CB 3.93Å; L381-V403 HydrophobicContact CD2-CG1 4.47Å; L381-V403 HydrophobicContact CD2-CG2 3.97Å; L381-V403 HydrophobicContact CG-CB 4.36Å; L381-V403 HydrophobicContact CG-CG1 4.47Å; L381-V403 HydrophobicContact CG-CG2 4.2Å; L381-F405 HydrophobicContact CD2-CE1 4.48Å; L381-V460 HydrophobicContact CD2-CB 3.8Å; L381-V460 HydrophobicContact CD2-CG1 3.79Å; L381-V460 HydrophobicContact CD2-CG2 4.2Å; L381-F462 HydrophobicContact CB-CE2 4.03Å; L381-F462 HydrophobicContact CB-CZ 4.04Å; L381-F462 HydrophobicContact CD2-CE2 3.72Å; L381-F462 HydrophobicContact CD2-CZ 3.86Å; L381-V473 HydrophobicContact CB-CG1 3.82Å; L381-V473 HydrophobicContact CD1-CG1 3.92Å; L381-V473 HydrophobicContact CG-CG1 4.41Å; L381-I477 HydrophobicContact CD1-CD1 3.77Å; L381-I477 HydrophobicContact CD1-CG1 3.73Å
382A97.3Very high96.6Very high0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-60.5-40.1179.100000112.3A378 E379 Y380 R386 L393 N398 V403A378-A382 WeakPolarHBondContact O-CB 3.34Å; A378-A382 PolarHBondContact O-N 3.49Å; E379-A382 PolarHBondContact O-N 3.03Å; Y380-A382 VanDerWaalsContact C-N 3.3Å; Y380-A382 PolarHBondContact O-N 3.32Å; A382-R386 WeakPolarHBondContact O-CG 3.33Å; A382-R386 PolarHBondContact O-N 2.94Å; A382-L393 HydrophobicContact CB-CD1 4.16Å; A382-N398 HydrophobicContact CB-CB 4.2Å; A382-V403 HydrophobicContact CB-CG1 4.14Å; A382-V403 HydrophobicContact CB-CG2 4.28Å
383E96.7Very high96.6Very high120 Ų12047.4 Ų47.456%0.56123%0.23SC*.Hα-helixtrans-61.8-49.8174-173.5-174.5162.300112.3E379 Y380 L381 L385 R386 A387E379-E383 PolarHBondContact O-N 3.46Å; Y380-E383 WeakPolarHBondContact O-CB 3.3Å; Y380-E383 PolarHBondContact O-N 3.13Å; Y380-E383 VanDerWaalsContact O-N 3.12Å; L381-E383 VanDerWaalsContact C-N 3.31Å; L381-E383 PolarHBondContact O-N 3.39Å; E383-L385 VanDerWaalsContact C-N 3.3Å; E383-L385 PolarHBondContact O-N 3.46Å; E383-R386 PolarHBondContact O-N 2.92Å; E383-A387 PolarHBondContact O-N 3.44Å; E383-A387 VanDerWaalsContact O-N 3.13Å
384R97.4Very high96.5Very high97 Ų9744.8 Ų44.837%0.36622%0.218SC..Hα-helixtrans-61.5-38.1179.6-60.5-58.2-68.6127.63.6112.2Y380 L381 A387 D474 I477Y380-R384 HydrophobicContact CD1-CG 4.01Å; Y380-R384 HydrophobicContact CD2-CG 4.48Å; Y380-R384 HydrophobicContact CE1-CG 3.67Å; Y380-R384 HydrophobicContact CE2-CG 4.2Å; Y380-R384 HydrophobicContact CG-CG 4.4Å; Y380-R384 VanDerWaalsContact O-CG 3.29Å; Y380-R384 WeakPolarHBondContact O-CG 3.4Å; Y380-R384 PolarHBondContact O-N 2.68Å; L381-R384 PolarHBondContact O-N 2.91Å; R384-A387 PolarHBondContact O-N 2.81Å; R384-D474 IonicContact CZ-OD1 3.64Å; R384-D474 IonicContact NE-OD1 2.84Å; R384-D474 PolarHBondContact NE-OD1 2.89Å; R384-D474 IonicContact NH2-OD1 3.52Å; R384-I477 HydrophobicContact CB-CD1 3.46Å; R384-I477 VanDerWaalsContact CB-CD1 3.46Å; R384-I477 HydrophobicContact CG-CD1 4.27Å
385L96.8Very high96.2Very high1 Ų145.5 Ų45.51%0.00522%0.222CC..Hα-helixtrans-69.3-41176.1-65.4173.4000112.2L381 E383 A387 N388 F391 L393 V403 F405 I477L381-L385 HydrophobicContact CD1-CD1 3.79Å; L381-L385 HydrophobicContact CD1-CD2 4.21Å; L381-L385 HydrophobicContact CD1-CG 3.82Å; L381-L385 HydrophobicContact CD2-CD1 4.47Å; L381-L385 HydrophobicContact CG-CD1 3.78Å; L381-L385 HydrophobicContact CG-CG 4.23Å; L381-L385 WeakPolarHBondContact O-CB 3.21Å; L381-L385 WeakPolarHBondContact O-CG 3.33Å; L381-L385 PolarHBondContact O-N 3.32Å; E383-L385 VanDerWaalsContact C-N 3.3Å; E383-L385 PolarHBondContact O-N 3.46Å; L385-A387 PolarHBondContact O-N 3.37Å; L385-N388 PolarHBondContact O-N 3.17Å; L385-N388 VanDerWaalsContact O-N 3.11Å; L385-N388 VanDerWaalsContact O-O 3.13Å; L385-F391 HydrophobicContact CB-CB 4.12Å; L385-F391 HydrophobicContact CD2-CB 3.69Å; L385-F391 HydrophobicContact CD2-CD1 3.47Å; L385-F391 VanDerWaalsContact CD2-CD1 3.47Å; L385-F391 HydrophobicContact CD2-CD2 3.85Å; L385-F391 HydrophobicContact CD2-CE1 3.96Å; L385-F391 HydrophobicContact CD2-CE2 4.33Å; L385-F391 HydrophobicContact CD2-CG 3.38Å; L385-F391 HydrophobicContact CD2-CZ 4.36Å; L385-F391 HydrophobicContact CG-CB 4.46Å; L385-L393 HydrophobicContact CB-CD2 3.98Å; L385-L393 HydrophobicContact CD1-CD2 3.87Å; L385-V403 HydrophobicContact CD1-CG1 3.97Å; L385-F405 HydrophobicContact CD1-CB 3.93Å; L385-F405 HydrophobicContact CD1-CD1 3.47Å; L385-F405 VanDerWaalsContact CD1-CD1 3.47Å; L385-F405 HydrophobicContact CD1-CD2 4.19Å; L385-F405 HydrophobicContact CD1-CE1 3.96Å; L385-F405 HydrophobicContact CD1-CG 3.59Å; L385-F405 HydrophobicContact CD1-CZ 4.5Å; L385-F405 HydrophobicContact CD2-CD2 4.4Å; L385-I477 HydrophobicContact CD2-CD1 4.4Å; L385-I477 HydrophobicContact CD2-CG1 4.26Å
386R95.8Very high95.3Very high136 Ų13652.1 Ų52.151%0.51326%0.258SS..Hα-helixtrans-61.3-33.5175.4-74-178.2-143.6106.71.1112.6A382 E383 N388 L393A382-R386 WeakPolarHBondContact O-CG 3.33Å; A382-R386 PolarHBondContact O-N 2.94Å; E383-R386 PolarHBondContact O-N 2.92Å; R386-N388 PolarHBondContact O-N 3.01Å; R386-L393 HydrophobicContact CG-CD1 3.61Å; R386-L393 HydrophobicContact CG-CG 4.19Å
387A95.9Very high94.2Very high76 Ų7652.3 Ų52.363%0.62827%0.266SS*.THydrogen-bonded Turntrans-79-1.9178.800000113.8E383 R384 L385E383-A387 PolarHBondContact O-N 3.44Å; E383-A387 VanDerWaalsContact O-N 3.13Å; R384-A387 PolarHBondContact O-N 2.81Å; L385-A387 PolarHBondContact O-N 3.37Å
388N95.3Very high93.3Very high45 Ų4554 Ų5424%0.24128%0.275CS..  trans-122.9114.2-174-171.9-24.8000111.1L385 R386 K390 F391L385-N388 PolarHBondContact O-N 3.17Å; L385-N388 VanDerWaalsContact O-N 3.11Å; L385-N388 VanDerWaalsContact O-O 3.13Å; R386-N388 PolarHBondContact O-N 3.01Å; N388-K390 PolarHBondContact O-N 3.41Å; N388-K390 WeakPolarHBondContact OD1-CB 3.39Å; N388-K390 PolarHBondContact OD1-N 3.42Å; N388-K390 VanDerWaalsContact OD1-N 3.1Å; N388-F391 HydrophobicContact CB-CD2 3.88Å; N388-F391 WeakPolarHBondContact ND2-CE2 3.45Å; N388-F391 PolarHBondContact O-N 2.81Å
389P93Very high92.8Very high91 Ų9155 Ų5559%0.59128%0.28SS*.THydrogen-bonded Turntrans-64.4-16.5-175.427-35.6000114F391P389-F391 PolarHBondContact O-N 2.76Å
390K95.9Very high92.6Very high74 Ų7451.8 Ų51.832%0.32227%0.267SS..THydrogen-bonded Turntrans-72.1-4.5172.8-61.6-175.1176.1-175.90113.1N388 F407 I408N388-K390 PolarHBondContact O-N 3.41Å; N388-K390 WeakPolarHBondContact OD1-CB 3.39Å; N388-K390 PolarHBondContact OD1-N 3.42Å; N388-K390 VanDerWaalsContact OD1-N 3.1Å; K390-F407 HydrophobicContact CB-CD2 4.4Å; K390-F407 HydrophobicContact CB-CE2 3.95Å; K390-F407 HydrophobicContact CD-CE2 4.33Å; K390-F407 CarbonylContact O-C 3.56Å; K390-F407 WeakPolarHBondContact O-CA 3.49Å; K390-F407 WeakPolarHBondContact O-CD2 3.46Å; K390-I408 PolarHBondContact O-N 3.47Å
391F96.7Very high92.6Very high12 Ų1249.5 Ų49.55%0.05326%0.258CS..EExtended strand (participates in β ladder)trans-132.9147.7-177.5-59.8-88.1000111.3L385 N388 P389 F405 W406 F407 I477 I480 A481L385-F391 HydrophobicContact CB-CB 4.12Å; L385-F391 HydrophobicContact CD2-CB 3.69Å; L385-F391 HydrophobicContact CD2-CD1 3.47Å; L385-F391 VanDerWaalsContact CD2-CD1 3.47Å; L385-F391 HydrophobicContact CD2-CD2 3.85Å; L385-F391 HydrophobicContact CD2-CE1 3.96Å; L385-F391 HydrophobicContact CD2-CE2 4.33Å; L385-F391 HydrophobicContact CD2-CG 3.38Å; L385-F391 HydrophobicContact CD2-CZ 4.36Å; L385-F391 HydrophobicContact CG-CB 4.46Å; N388-F391 HydrophobicContact CB-CD2 3.88Å; N388-F391 WeakPolarHBondContact ND2-CE2 3.45Å; N388-F391 PolarHBondContact O-N 2.81Å; P389-F391 PolarHBondContact O-N 2.76Å; F391-F405 AromaticContact CD1-CD2 3.78Å; F391-F405 HydrophobicContact CD1-CD2 3.78Å; F391-F405 AromaticContact CD1-CE2 3.88Å; F391-F405 HydrophobicContact CD1-CE2 3.88Å; F391-F405 HydrophobicContact CE1-CD2 4.38Å; F391-F405 HydrophobicContact CE1-CE2 4.01Å; F391-W406 VanDerWaalsContact CA-O 3.32Å; F391-W406 WeakPolarHBondContact CA-O 3.39Å; F391-F407 HydrophobicContact CD1-CB 4.44Å; F391-F407 HydrophobicContact CD1-CD2 4.13Å; F391-F407 HydrophobicContact CE1-CB 4.4Å; F391-F407 AromaticContact CE1-CD2 3.66Å; F391-F407 HydrophobicContact CE1-CD2 3.66Å; F391-F407 AromaticContact CZ-CD2 3.87Å; F391-F407 HydrophobicContact CZ-CD2 3.87Å; F391-F407 HydrophobicContact CZ-CE2 4.31Å; F391-I477 HydrophobicContact CD2-CG2 4.4Å; F391-I477 HydrophobicContact CE2-CG2 3.54Å; F391-I477 HydrophobicContact CZ-CG2 3.69Å; F391-I480 HydrophobicContact CE1-CB 4.43Å; F391-I480 HydrophobicContact CE1-CG2 3.88Å; F391-I480 HydrophobicContact CZ-CB 4.46Å; F391-I480 HydrophobicContact CZ-CG2 4.26Å; F391-A481 HydrophobicContact CZ-CB 4.46Å
392K96.4Very high92.5Very high72 Ų7249.6 Ų49.631%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-136.8125.2175-175.1164.5-179.3172.60110F405 W406 I408 E417 W422K392-F405 CarbonylContact O-C 3.47Å; K392-F405 WeakPolarHBondContact O-CA 3.42Å; K392-F405 WeakPolarHBondContact O-CB 3.43Å; K392-W406 HydrophobicContact CB-CE3 4.33Å; K392-W406 HydrophobicContact CG-CE3 4.27Å; K392-W406 PolarHBondContact N-O 3.26Å; K392-W406 PolarHBondContact O-N 2.9Å; K392-I408 HydrophobicContact CB-CD1 4.23Å; K392-I408 HydrophobicContact CB-CG1 4.25Å; K392-E417 IonicContact NZ-OE1 3.65Å; K392-E417 PolarHBondContact NZ-OE1 2.9Å; K392-E417 IonicContact NZ-OE2 3.78Å; K392-E417 PolarHBondContact NZ-OE2 3.47Å; K392-W422 HydrophobicContact CD-CH2 3.99Å
393L96.9Very high92.5Very high19 Ų1949.8 Ų49.810%0.09926%0.26CS..EExtended strand (participates in β ladder)trans-69.5143.5175.8-61.3-176.2000110.9A382 L385 R386 N395 V403 F405A382-L393 HydrophobicContact CB-CD1 4.16Å; L385-L393 HydrophobicContact CB-CD2 3.98Å; L385-L393 HydrophobicContact CD1-CD2 3.87Å; R386-L393 HydrophobicContact CG-CD1 3.61Å; R386-L393 HydrophobicContact CG-CG 4.19Å; L393-N395 VanDerWaalsContact CB-O 3.29Å; L393-N395 WeakPolarHBondContact CB-O 3.47Å; L393-V403 HydrophobicContact CD2-CG1 3.7Å; L393-F405 HydrophobicContact CD2-CB 4.07Å
394V96.2Very high92.5Very high1 Ų144.6 Ų44.61%0.00624%0.237CC..SBendtrans-70-43.7173.3174.60000110.7L241 C404 W406 L454 F457L241-V394 HydrophobicContact CD2-CG1 4.06Å; V394-C404 HydrophobicContact CB-CB 3.72Å; V394-C404 HydrophobicContact CG1-CB 4.42Å; V394-C404 HydrophobicContact CG2-CB 3.73Å; V394-C404 PolarHBondContact N-O 3.11Å; V394-W406 VanDerWaalsContact CA-CZ3 3.48Å; V394-W406 HydrophobicContact CB-CH2 4.06Å; V394-W406 HydrophobicContact CB-CZ3 4.1Å; V394-W406 HydrophobicContact CG1-CH2 4.09Å; V394-W406 HydrophobicContact CG2-CD2 4.09Å; V394-W406 HydrophobicContact CG2-CE3 3.91Å; V394-W406 HydrophobicContact CG2-CH2 3.69Å; V394-W406 HydrophobicContact CG2-CZ2 3.85Å; V394-W406 HydrophobicContact CG2-CZ3 3.73Å; V394-L454 HydrophobicContact CG1-CD1 3.64Å; V394-L454 HydrophobicContact CG1-CD2 4.24Å; V394-F457 HydrophobicContact CG2-CB 3.78Å; V394-F457 HydrophobicContact CG2-CD1 3.95Å; V394-F457 HydrophobicContact CG2-CD2 3.85Å; V394-F457 HydrophobicContact CG2-CE2 4.37Å; V394-F457 HydrophobicContact CG2-CG 3.62Å
395N90.9Very high92.5Very high17 Ų1740 Ų409%0.09122%0.219CC..SBendtrans-117138.6175.6-69.9-29.7000109.6R205 L393 S397R205-N395 PolarHBondContact O-OD1 3.11Å; L393-N395 VanDerWaalsContact CB-O 3.29Å; L393-N395 WeakPolarHBondContact CB-O 3.47Å; N395-S397 VanDerWaalsContact C-N 3.29Å; N395-S397 WeakPolarHBondContact CB-O 3.38Å; N395-S397 PolarHBondContact O-N 3.42Å
396N78.5Confident92.6Very high143 Ų14340.4 Ų40.477%0.76522%0.221SC*.SBendtrans-64.5-36.6-179.3-71.2-20.6000111.8
397S73.9Confident92.7Very high70 Ų7034.2 Ų34.249%0.4920%0.198SC..SBendtrans-91.1142.6171.753.10000111N395N395-S397 VanDerWaalsContact C-N 3.29Å; N395-S397 WeakPolarHBondContact CB-O 3.38Å; N395-S397 PolarHBondContact O-N 3.42Å
398N78.1Confident92.7Very high37 Ų3731.4 Ų31.420%0.19817%0.172CC..  trans-77.7135.2165.317546.6000108.7A378 A382 G400 S402A378-N398 WeakPolarHBondContact CB-ND2 3.28Å; A382-N398 HydrophobicContact CB-CB 4.2Å; N398-G400 PolarHBondContact ND2-O 2.67Å; N398-S402 PolarHBondContact OD1-O 3.49Å
399N85.4Confident92.7Very high21 Ų2129.3 Ų29.311%0.11216%0.161CC..BIsolated β-bridgetrans-109.3114.5175.9-65.3-13000109.1D206 N242 S402D206-N399 PolarHBondContact O-ND2 3.26Å; D206-N399 VanDerWaalsContact O-ND2 3.16Å; N242-N399 HydrophobicContact CB-CB 4.48Å; N242-N399 WeakPolarHBondContact CB-O 3.41Å; N242-N399 PolarHBondContact ND2-O 2.93Å; N242-N399 VanDerWaalsContact O-CB 3.24Å; N242-N399 WeakPolarHBondContact O-CB 3.18Å; N399-S402 PolarHBondContact O-N 2.87Å
400G94.1Very high92.7Very high5 Ų528.5 Ų28.55%0.05216%0.158CC..THydrogen-bonded Turntrans54.7-136.5-17900000114N398N398-G400 PolarHBondContact ND2-O 2.67Å
401C95.4Very high92.6Very high1 Ų131.1 Ų31.11%0.00717%0.165CC..THydrogen-bonded Turntrans-91.219.3-177.259.40000115.4N242 F375 F462N242-C401 PolarHBondContact ND2-N 2.87Å; N242-C401 VanDerWaalsContact ND2-N 3.13Å; F375-C401 HydrophobicContact CD2-CB 3.76Å; F375-C401 HydrophobicContact CE2-CB 3.84Å; F375-C401 HydrophobicContact CG-CB 4.26Å; F375-C401 HydrophobicContact CZ-CB 4.4Å; C401-F462 PolarHBondContact O-N 2.7Å
402S95.8Very high92.4Very high3 Ų331.1 Ų31.12%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-133.8135-177.9-530000113.3N242 N398 N399 V460 T461N242-S402 PolarHBondContact ND2-N 2.77Å; N242-S402 PolarHBondContact ND2-OG 3.39Å; N398-S402 PolarHBondContact OD1-O 3.49Å; N399-S402 PolarHBondContact O-N 2.87Å; S402-V460 CarbonylContact C-O 3.59Å; S402-V460 WeakPolarHBondContact CA-O 3.42Å; S402-T461 WeakPolarHBondContact OG-CB 3.49Å; S402-T461 WeakPolarHBondContact OG-CG2 3.2Å; S402-T461 PolarHBondContact OG-OG1 3.4Å
403V96.9Very high92.2Very high5 Ų533.3 Ų33.33%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-113.4129.7178.8-170.50000109.9A378 L381 A382 L385 L393 F405 R459 V460A378-V403 HydrophobicContact CB-CG2 3.94Å; A378-V403 WeakPolarHBondContact O-CG2 3.43Å; L381-V403 HydrophobicContact CB-CG2 4.19Å; L381-V403 HydrophobicContact CD2-CB 3.93Å; L381-V403 HydrophobicContact CD2-CG1 4.47Å; L381-V403 HydrophobicContact CD2-CG2 3.97Å; L381-V403 HydrophobicContact CG-CB 4.36Å; L381-V403 HydrophobicContact CG-CG1 4.47Å; L381-V403 HydrophobicContact CG-CG2 4.2Å; A382-V403 HydrophobicContact CB-CG1 4.14Å; A382-V403 HydrophobicContact CB-CG2 4.28Å; L385-V403 HydrophobicContact CD1-CG1 3.97Å; L393-V403 HydrophobicContact CD2-CG1 3.7Å; V403-F405 HydrophobicContact CG1-CD1 4.25Å; V403-R459 WeakPolarHBondContact O-CA 3.26Å; V403-V460 PolarHBondContact N-O 2.83Å; V403-V460 PolarHBondContact O-N 2.92Å
404C97.5Very high91.9Very high10 Ų1036.3 Ų36.37%0.06821%0.213CC..EExtended strand (participates in β ladder)trans-108.3129.1174.4-63.70000110.5V240 V394 F457 F458V240-C404 PolarHBondContact O-SG 3.42Å; V394-C404 HydrophobicContact CB-CB 3.72Å; V394-C404 HydrophobicContact CG1-CB 4.42Å; V394-C404 HydrophobicContact CG2-CB 3.73Å; V394-C404 PolarHBondContact N-O 3.11Å; C404-F457 HydrophobicContact CB-CD2 3.89Å; C404-F457 HydrophobicContact CB-CE2 3.85Å; C404-F458 CarbonylContact C-O 3.54Å; C404-F458 VanDerWaalsContact CA-O 3.23Å; C404-F458 WeakPolarHBondContact CA-O 3.13Å
405F97.7Very high91.8Very high1 Ų138 Ų380%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-155.4155.2-176.363.7-88.1000112.9L381 L385 F391 K392 L393 V403 F457 F458 V460 I480L381-F405 HydrophobicContact CD2-CE1 4.48Å; L385-F405 HydrophobicContact CD1-CB 3.93Å; L385-F405 HydrophobicContact CD1-CD1 3.47Å; L385-F405 VanDerWaalsContact CD1-CD1 3.47Å; L385-F405 HydrophobicContact CD1-CD2 4.19Å; L385-F405 HydrophobicContact CD1-CE1 3.96Å; L385-F405 HydrophobicContact CD1-CG 3.59Å; L385-F405 HydrophobicContact CD1-CZ 4.5Å; L385-F405 HydrophobicContact CD2-CD2 4.4Å; F391-F405 AromaticContact CD1-CD2 3.78Å; F391-F405 HydrophobicContact CD1-CD2 3.78Å; F391-F405 AromaticContact CD1-CE2 3.88Å; F391-F405 HydrophobicContact CD1-CE2 3.88Å; F391-F405 HydrophobicContact CE1-CD2 4.38Å; F391-F405 HydrophobicContact CE1-CE2 4.01Å; K392-F405 CarbonylContact O-C 3.47Å; K392-F405 WeakPolarHBondContact O-CA 3.42Å; K392-F405 WeakPolarHBondContact O-CB 3.43Å; L393-F405 HydrophobicContact CD2-CB 4.07Å; V403-F405 HydrophobicContact CG1-CD1 4.25Å; F405-F457 WeakPolarHBondContact O-CB 2.93Å; F405-F458 HydrophobicContact CD1-CB 4.27Å; F405-F458 HydrophobicContact CD2-CB 4.14Å; F405-F458 HydrophobicContact CD2-CD2 4.43Å; F405-F458 HydrophobicContact CE1-CB 3.87Å; F405-F458 HydrophobicContact CE2-CB 3.72Å; F405-F458 AromaticContact CE2-CD2 3.91Å; F405-F458 HydrophobicContact CE2-CD2 3.91Å; F405-F458 HydrophobicContact CE2-CG 4.06Å; F405-F458 HydrophobicContact CG-CB 4.4Å; F405-F458 HydrophobicContact CZ-CB 3.58Å; F405-F458 HydrophobicContact CZ-CD2 4.45Å; F405-F458 HydrophobicContact CZ-CG 4.15Å; F405-F458 PolarHBondContact N-O 2.99Å; F405-F458 PolarHBondContact O-N 2.99Å; F405-V460 HydrophobicContact CE1-CB 4.42Å; F405-V460 HydrophobicContact CE1-CG2 3.73Å; F405-V460 HydrophobicContact CZ-CG2 4.15Å; F405-I480 HydrophobicContact CE2-CD1 4.2Å; F405-I480 HydrophobicContact CZ-CD1 3.88Å
406W97.9Very high92Very high10 Ų1041.8 Ų41.84%0.03825%0.253CS..EExtended strand (participates in β ladder)trans-98.4143.5164.9-60.2-83.6000110.2F391 K392 V394 I408 W422 V425 N429 L454 V455 D456 F457F391-W406 VanDerWaalsContact CA-O 3.32Å; F391-W406 WeakPolarHBondContact CA-O 3.39Å; K392-W406 HydrophobicContact CB-CE3 4.33Å; K392-W406 HydrophobicContact CG-CE3 4.27Å; K392-W406 PolarHBondContact N-O 3.26Å; K392-W406 PolarHBondContact O-N 2.9Å; V394-W406 VanDerWaalsContact CA-CZ3 3.48Å; V394-W406 HydrophobicContact CB-CH2 4.06Å; V394-W406 HydrophobicContact CB-CZ3 4.1Å; V394-W406 HydrophobicContact CG1-CH2 4.09Å; V394-W406 HydrophobicContact CG2-CD2 4.09Å; V394-W406 HydrophobicContact CG2-CE3 3.91Å; V394-W406 HydrophobicContact CG2-CH2 3.69Å; V394-W406 HydrophobicContact CG2-CZ2 3.85Å; V394-W406 HydrophobicContact CG2-CZ3 3.73Å; W406-I408 HydrophobicContact CB-CD1 4.05Å; W406-W422 HydrophobicContact CD2-CH2 4.27Å; W406-W422 AromaticContact CD2-CZ3 3.6Å; W406-W422 HydrophobicContact CD2-CZ3 3.6Å; W406-W422 AromaticContact CE2-CZ3 3.75Å; W406-W422 AromaticContact CE3-CH2 3.94Å; W406-W422 HydrophobicContact CE3-CH2 3.94Å; W406-W422 AromaticContact CE3-CZ3 3.75Å; W406-W422 HydrophobicContact CE3-CZ3 3.75Å; W406-W422 HydrophobicContact CG-CZ3 4.05Å; W406-W422 HydrophobicContact CH2-CH2 4.22Å; W406-W422 HydrophobicContact CH2-CZ3 4.17Å; W406-W422 HydrophobicContact CZ2-CZ3 4.07Å; W406-W422 AromaticContact CZ3-CH2 3.89Å; W406-W422 HydrophobicContact CZ3-CH2 3.89Å; W406-W422 HydrophobicContact CZ3-CZ3 4.01Å; W406-V425 HydrophobicContact CB-CG1 3.73Å; W406-V425 HydrophobicContact CG-CG1 3.77Å; W406-N429 WeakPolarHBondContact CA-OD1 3.09Å; W406-L454 HydrophobicContact CH2-CD2 3.69Å; W406-L454 HydrophobicContact CZ2-CB 4.34Å; W406-L454 HydrophobicContact CZ2-CD2 3.79Å; W406-V455 PolarHBondContact NE1-O 2.86Å; W406-D456 VanDerWaalsContact CD1-O 3.23Å; W406-F457 HydrophobicContact CD2-CB 4.22Å; W406-F457 HydrophobicContact CG-CB 4.09Å; W406-F457 HydrophobicContact CZ2-CD1 4.29Å
407F98Very high92.8Very high5 Ų539.8 Ų39.82%0.02224%0.238CC..EExtended strand (participates in β ladder)trans-83.1132.3156.6178-96.6000109.4K390 F391 P409 V428 N429 L432 F458 I480 A481 A484K390-F407 HydrophobicContact CB-CD2 4.4Å; K390-F407 HydrophobicContact CB-CE2 3.95Å; K390-F407 HydrophobicContact CD-CE2 4.33Å; K390-F407 CarbonylContact O-C 3.56Å; K390-F407 WeakPolarHBondContact O-CA 3.49Å; K390-F407 WeakPolarHBondContact O-CD2 3.46Å; F391-F407 HydrophobicContact CD1-CB 4.44Å; F391-F407 HydrophobicContact CD1-CD2 4.13Å; F391-F407 HydrophobicContact CE1-CB 4.4Å; F391-F407 AromaticContact CE1-CD2 3.66Å; F391-F407 HydrophobicContact CE1-CD2 3.66Å; F391-F407 AromaticContact CZ-CD2 3.87Å; F391-F407 HydrophobicContact CZ-CD2 3.87Å; F391-F407 HydrophobicContact CZ-CE2 4.31Å; F407-P409 HydrophobicContact CE1-CB 4.28Å; F407-V428 HydrophobicContact CD1-CG1 4.13Å; F407-N429 PolarHBondContact N-OD1 3.36Å; F407-N429 PolarHBondContact O-ND2 2.93Å; F407-L432 HydrophobicContact CB-CD2 4.17Å; F407-L432 HydrophobicContact CD1-CD2 4.1Å; F407-L432 HydrophobicContact CG-CD2 4.05Å; F407-F458 HydrophobicContact CB-CE2 4.45Å; F407-I480 HydrophobicContact CD2-CG2 4.29Å; F407-A481 HydrophobicContact CE2-CB 4.39Å; F407-A484 HydrophobicContact CD1-CB 4.02Å; F407-A484 HydrophobicContact CE1-CB 3.33Å; F407-A484 HydrophobicContact CE2-CB 4.21Å; F407-A484 HydrophobicContact CZ-CB 3.44Å; F407-A484 VanDerWaalsContact CZ-CB 3.44Å
408I97Very high93.9Very high17 Ų1740.2 Ų40.29%0.08724%0.235CC..  trans-104.7111.3178.1-49.8-55.6000107.9K390 K392 W406 L412 F421 V425K390-I408 PolarHBondContact O-N 3.47Å; K392-I408 HydrophobicContact CB-CD1 4.23Å; K392-I408 HydrophobicContact CB-CG1 4.25Å; W406-I408 HydrophobicContact CB-CD1 4.05Å; I408-L412 HydrophobicContact CG2-CB 4.36Å; I408-F421 HydrophobicContact CD1-CZ 4.16Å; I408-F421 HydrophobicContact CG2-CE2 4.42Å; I408-F421 HydrophobicContact CG2-CZ 4.23Å; I408-V425 HydrophobicContact CD1-CG1 4.23Å; I408-V425 HydrophobicContact CD1-CG2 4Å
409P94.8Very high94.8Very high1 Ų144.7 Ų44.71%0.00626%0.259CS..  trans-66.8146.8178.331-37.5000110.4F407 R411 L412 V428F407-P409 HydrophobicContact CE1-CB 4.28Å; P409-R411 HydrophobicContact CB-CG 4.29Å; P409-R411 HydrophobicContact CG-CG 4.3Å; P409-R411 PolarHBondContact O-N 3.29Å; P409-L412 HydrophobicContact CG-CB 4.16Å; P409-L412 HydrophobicContact CG-CD1 3.69Å; P409-L412 HydrophobicContact CG-CG 3.83Å; P409-L412 PolarHBondContact O-N 3.19Å; P409-V428 HydrophobicContact CB-CG1 4.22Å; P409-V428 HydrophobicContact CG-CB 4.47Å; P409-V428 HydrophobicContact CG-CG1 4.27Å; P409-V428 HydrophobicContact CG-CG2 4.12Å
410S92.7Very high95.3Very high75 Ų7549.5 Ų49.552%0.52428%0.279SS..G310 helixtrans-56.4-29.9-176.1-65.70000113.8L412 E413S410-L412 PolarHBondContact O-N 2.76Å; S410-E413 WeakPolarHBondContact O-CB 3.44Å; S410-E413 PolarHBondContact O-N 3.34Å
411R93.1Very high95.4Very high129 Ų12949.7 Ų49.749%0.48728%0.279SS..G310 helixtrans-65.9-16175.870.8-176.7174.791.2-5.4114.7P409 E424P409-R411 HydrophobicContact CB-CG 4.29Å; P409-R411 HydrophobicContact CG-CG 4.3Å; P409-R411 PolarHBondContact O-N 3.29Å; R411-E424 IonicContact CZ-OE2 3.42Å; R411-E424 IonicContact NH1-OE2 3.11Å; R411-E424 PolarHBondContact NH1-OE2 3.09Å; R411-E424 IonicContact NH2-OE2 2.74Å; R411-E424 PolarHBondContact NH2-OE2 3.08Å
412L94.2Very high95.5Very high11 Ų1151.9 Ų51.96%0.05829%0.287CS..G310 helixtrans-107.41.5177.1-61.8-178.2000112.4I408 P409 S410 G414 A415 F421 E424 V425I408-L412 HydrophobicContact CG2-CB 4.36Å; P409-L412 HydrophobicContact CG-CB 4.16Å; P409-L412 HydrophobicContact CG-CD1 3.69Å; P409-L412 HydrophobicContact CG-CG 3.83Å; P409-L412 PolarHBondContact O-N 3.19Å; S410-L412 PolarHBondContact O-N 2.76Å; L412-G414 PolarHBondContact O-N 3.48Å; L412-A415 VanDerWaalsContact O-CB 3.29Å; L412-A415 WeakPolarHBondContact O-CB 3.21Å; L412-A415 PolarHBondContact O-N 3.18Å; L412-A415 VanDerWaalsContact O-N 3.1Å; L412-F421 HydrophobicContact CB-CD2 3.99Å; L412-F421 HydrophobicContact CB-CE2 3.74Å; L412-F421 HydrophobicContact CD1-CD2 4.24Å; L412-F421 HydrophobicContact CD1-CE2 4.4Å; L412-F421 HydrophobicContact CD2-CD2 4.48Å; L412-F421 HydrophobicContact CG-CD2 4.47Å; L412-F421 WeakPolarHBondContact O-CE2 3.46Å; L412-E424 HydrophobicContact CD1-CB 3.77Å; L412-V425 HydrophobicContact CD1-CG2 3.8Å
413E91.1Very high95.6Very high118 Ų11857 Ų5755%0.55131%0.31SS*.THydrogen-bonded Turntrans-62.2127.2179.3-169.8169.9-173.400110.7S410 A415S410-E413 WeakPolarHBondContact O-CB 3.44Å; S410-E413 PolarHBondContact O-N 3.34Å; E413-A415 PolarHBondContact O-N 3.49Å
414G90.5Very high95.6Very high83 Ų8358 Ų5886%0.85632%0.315SS*.THydrogen-bonded Turntrans71.70.4-176.800000115.6L412L412-G414 PolarHBondContact O-N 3.48Å
415A94.1Very high95.6Very high36 Ų3657.5 Ų57.530%0.29831%0.311SS..  trans-69.5150.2174.900000111.4L412 E413 E417 F421L412-A415 VanDerWaalsContact O-CB 3.29Å; L412-A415 WeakPolarHBondContact O-CB 3.21Å; L412-A415 PolarHBondContact O-N 3.18Å; L412-A415 VanDerWaalsContact O-N 3.1Å; E413-A415 PolarHBondContact O-N 3.49Å; A415-E417 PolarHBondContact O-N 3.17Å; A415-F421 HydrophobicContact CB-CD2 4.07Å; A415-F421 HydrophobicContact CB-CE2 4.49Å
416P96Very high95.6Very high97 Ų9757.6 Ų57.663%0.6331%0.313SS*.  trans-65.1131.2176.326.1-33.5000111.2N418 F421P416-N418 PolarHBondContact O-N 3.36Å; P416-F421 WeakPolarHBondContact O-CB 3.25Å
417E95.3Very high95.6Very high100 Ų10062.8 Ų62.847%0.46734%0.336SS..  trans-7756.3-176.4-60-171.4-17500113.6K392 A415 F421 W422K392-E417 IonicContact NZ-OE1 3.65Å; K392-E417 PolarHBondContact NZ-OE1 2.9Å; K392-E417 IonicContact NZ-OE2 3.78Å; K392-E417 PolarHBondContact NZ-OE2 3.47Å; A415-E417 PolarHBondContact O-N 3.17Å; E417-F421 HydrophobicContact CB-CD1 4.08Å; E417-F421 HydrophobicContact CB-CE1 4.31Å; E417-F421 HydrophobicContact CG-CD1 4.09Å; E417-F421 HydrophobicContact CG-CE1 3.86Å; E417-F421 HydrophobicContact CG-CZ 4.12Å; E417-W422 HydrophobicContact CB-CZ2 4.47Å; E417-W422 PolarHBondContact O-NE1 3.36Å; E417-W422 VanDerWaalsContact OE2-CZ2 3.31Å; E417-W422 WeakPolarHBondContact OE2-CZ2 3.28Å
418N96.7Very high95.6Very high80 Ų8062.9 Ų62.943%0.42834%0.336SS..SBendtrans-85.2-178.2174.462.827.6000112.1P416 F420 F421 W422P416-N418 PolarHBondContact O-N 3.36Å; N418-F420 VanDerWaalsContact C-N 3.25Å; N418-F420 PolarHBondContact O-N 2.67Å; N418-F420 WeakPolarHBondContact OD1-CB 3.37Å; N418-F420 PolarHBondContact OD1-N 3.33Å; N418-F420 VanDerWaalsContact OD1-N 3.15Å; N418-F421 WeakPolarHBondContact O-CB 3.12Å; N418-F421 PolarHBondContact O-N 3.07Å; N418-F421 VanDerWaalsContact O-N 3.15Å; N418-F421 PolarHBondContact OD1-N 3.22Å; N418-W422 VanDerWaalsContact O-CD1 3.31Å; N418-W422 PolarHBondContact O-N 3.25Å; N418-W422 VanDerWaalsContact O-N 3.15Å
419D95.7Very high95.7Very high130 Ų13062 Ų6270%0.69533%0.332SS*.Hα-helixtrans-57.6-36.9-179.4-65.9-13.9000113.1W422 Q423D419-W422 PolarHBondContact O-N 3.02Å; D419-Q423 WeakPolarHBondContact O-CB 3.45Å; D419-Q423 WeakPolarHBondContact O-CG 3.47Å; D419-Q423 PolarHBondContact O-N 2.93Å
420F96.1Very high95.8Very high123 Ų12365.3 Ų65.354%0.53935%0.349SS..Hα-helixtrans-65.2-45.1177.4175.2-95.2000111.4N418 W422 Q423 E424N418-F420 VanDerWaalsContact C-N 3.25Å; N418-F420 PolarHBondContact O-N 2.67Å; N418-F420 WeakPolarHBondContact OD1-CB 3.37Å; N418-F420 PolarHBondContact OD1-N 3.33Å; N418-F420 VanDerWaalsContact OD1-N 3.15Å; F420-W422 VanDerWaalsContact C-N 3.34Å; F420-W422 PolarHBondContact O-N 2.84Å; F420-Q423 PolarHBondContact O-N 2.95Å; F420-E424 HydrophobicContact CD1-CG 4.36Å; F420-E424 HydrophobicContact CD2-CG 4.49Å; F420-E424 HydrophobicContact CE1-CG 3.88Å; F420-E424 HydrophobicContact CE2-CG 4.03Å; F420-E424 HydrophobicContact CZ-CG 3.7Å; F420-E424 WeakPolarHBondContact O-CG 3.48Å; F420-E424 PolarHBondContact O-N 3.13Å
421F97.5Very high96.1Very high8 Ų863.5 Ų63.54%0.03534%0.339CS..Hα-helixtrans-54.4-50.9175.2171.3-86.1000111I408 L412 A415 P416 E417 N418 Q423 E424 V425I408-F421 HydrophobicContact CD1-CZ 4.16Å; I408-F421 HydrophobicContact CG2-CE2 4.42Å; I408-F421 HydrophobicContact CG2-CZ 4.23Å; L412-F421 HydrophobicContact CB-CD2 3.99Å; L412-F421 HydrophobicContact CB-CE2 3.74Å; L412-F421 HydrophobicContact CD1-CD2 4.24Å; L412-F421 HydrophobicContact CD1-CE2 4.4Å; L412-F421 HydrophobicContact CD2-CD2 4.48Å; L412-F421 HydrophobicContact CG-CD2 4.47Å; L412-F421 WeakPolarHBondContact O-CE2 3.46Å; A415-F421 HydrophobicContact CB-CD2 4.07Å; A415-F421 HydrophobicContact CB-CE2 4.49Å; P416-F421 WeakPolarHBondContact O-CB 3.25Å; E417-F421 HydrophobicContact CB-CD1 4.08Å; E417-F421 HydrophobicContact CB-CE1 4.31Å; E417-F421 HydrophobicContact CG-CD1 4.09Å; E417-F421 HydrophobicContact CG-CE1 3.86Å; E417-F421 HydrophobicContact CG-CZ 4.12Å; N418-F421 WeakPolarHBondContact O-CB 3.12Å; N418-F421 PolarHBondContact O-N 3.07Å; N418-F421 VanDerWaalsContact O-N 3.15Å; N418-F421 PolarHBondContact OD1-N 3.22Å; F421-Q423 PolarHBondContact O-N 2.97Å; F421-E424 PolarHBondContact O-N 2.98Å; F421-V425 HydrophobicContact CD1-CG2 4.07Å; F421-V425 HydrophobicContact CE1-CG2 3.69Å; F421-V425 HydrophobicContact CE2-CG2 4.39Å; F421-V425 HydrophobicContact CZ-CG2 3.87Å; F421-V425 WeakPolarHBondContact O-CG2 3.26Å; F421-V425 PolarHBondContact O-N 3.16Å
422W97.4Very high96.3Very high48 Ų4857.4 Ų57.418%0.18232%0.316CS..Hα-helixtrans-68.6-36.3-177.8-71.6113.5000112.9K392 W406 E417 N418 D419 F420 E424 V425 G426 V455K392-W422 HydrophobicContact CD-CH2 3.99Å; W406-W422 HydrophobicContact CD2-CH2 4.27Å; W406-W422 AromaticContact CD2-CZ3 3.6Å; W406-W422 HydrophobicContact CD2-CZ3 3.6Å; W406-W422 AromaticContact CE2-CZ3 3.75Å; W406-W422 AromaticContact CE3-CH2 3.94Å; W406-W422 HydrophobicContact CE3-CH2 3.94Å; W406-W422 AromaticContact CE3-CZ3 3.75Å; W406-W422 HydrophobicContact CE3-CZ3 3.75Å; W406-W422 HydrophobicContact CG-CZ3 4.05Å; W406-W422 HydrophobicContact CH2-CH2 4.22Å; W406-W422 HydrophobicContact CH2-CZ3 4.17Å; W406-W422 HydrophobicContact CZ2-CZ3 4.07Å; W406-W422 AromaticContact CZ3-CH2 3.89Å; W406-W422 HydrophobicContact CZ3-CH2 3.89Å; W406-W422 HydrophobicContact CZ3-CZ3 4.01Å; E417-W422 HydrophobicContact CB-CZ2 4.47Å; E417-W422 PolarHBondContact O-NE1 3.36Å; E417-W422 VanDerWaalsContact OE2-CZ2 3.31Å; E417-W422 WeakPolarHBondContact OE2-CZ2 3.28Å; N418-W422 VanDerWaalsContact O-CD1 3.31Å; N418-W422 PolarHBondContact O-N 3.25Å; N418-W422 VanDerWaalsContact O-N 3.15Å; D419-W422 PolarHBondContact O-N 3.02Å; F420-W422 VanDerWaalsContact C-N 3.34Å; F420-W422 PolarHBondContact O-N 2.84Å; W422-E424 VanDerWaalsContact C-N 3.32Å; W422-E424 PolarHBondContact O-N 3.38Å; W422-V425 HydrophobicContact CE3-CB 4.3Å; W422-V425 HydrophobicContact CE3-CG1 4.22Å; W422-V425 HydrophobicContact CZ3-CG1 4.32Å; W422-V425 PolarHBondContact O-N 3.18Å; W422-G426 PolarHBondContact O-N 3.34Å; W422-V455 HydrophobicContact CB-CG1 4.02Å; W422-V455 HydrophobicContact CB-CG2 4.27Å; W422-V455 HydrophobicContact CE3-CG2 3.95Å; W422-V455 WeakPolarHBondContact O-CG2 3.22Å
423Q97Very high96.5Very high110 Ų11059.3 Ų59.351%0.51432%0.324SS..Hα-helixtrans-60.2-42.6172.7-75.3173.915.500112D419 F420 F421 G426 K427D419-Q423 WeakPolarHBondContact O-CB 3.45Å; D419-Q423 WeakPolarHBondContact O-CG 3.47Å; D419-Q423 PolarHBondContact O-N 2.93Å; F420-Q423 PolarHBondContact O-N 2.95Å; F421-Q423 PolarHBondContact O-N 2.97Å; Q423-G426 PolarHBondContact O-N 2.98Å; Q423-K427 WeakPolarHBondContact O-CG 3.45Å; Q423-K427 PolarHBondContact O-N 3.24Å; Q423-K427 VanDerWaalsContact O-N 3.14Å
424E97.4Very high96.8Very high25 Ų2558.4 Ų58.412%0.11732%0.322CS..Hα-helixtrans-68.6-42.4177.5-72.3-63.3112.700112.2R411 L412 F420 F421 W422 G426 K427 V428R411-E424 IonicContact CZ-OE2 3.42Å; R411-E424 IonicContact NH1-OE2 3.11Å; R411-E424 PolarHBondContact NH1-OE2 3.09Å; R411-E424 IonicContact NH2-OE2 2.74Å; R411-E424 PolarHBondContact NH2-OE2 3.08Å; L412-E424 HydrophobicContact CD1-CB 3.77Å; F420-E424 HydrophobicContact CD1-CG 4.36Å; F420-E424 HydrophobicContact CD2-CG 4.49Å; F420-E424 HydrophobicContact CE1-CG 3.88Å; F420-E424 HydrophobicContact CE2-CG 4.03Å; F420-E424 HydrophobicContact CZ-CG 3.7Å; F420-E424 WeakPolarHBondContact O-CG 3.48Å; F420-E424 PolarHBondContact O-N 3.13Å; F421-E424 PolarHBondContact O-N 2.98Å; W422-E424 VanDerWaalsContact C-N 3.32Å; W422-E424 PolarHBondContact O-N 3.38Å; E424-G426 VanDerWaalsContact C-N 3.32Å; E424-G426 PolarHBondContact O-N 3.21Å; E424-K427 PolarHBondContact O-N 2.61Å; E424-K427 WeakPolarHBondContact OE1-CD 3.48Å; E424-K427 IonicContact OE1-NZ 3.52Å; E424-K427 PolarHBondContact OE1-NZ 3.14Å; E424-V428 WeakPolarHBondContact O-CG2 3.47Å; E424-V428 PolarHBondContact O-N 3.38Å
425V97.8Very high97.1Very high0 Ų057 Ų570%029%0.293CS..Hα-helixtrans-55.6-48.3172.9168.10000110.5W406 I408 L412 F421 W422 K427 V428 N429W406-V425 HydrophobicContact CB-CG1 3.73Å; W406-V425 HydrophobicContact CG-CG1 3.77Å; I408-V425 HydrophobicContact CD1-CG1 4.23Å; I408-V425 HydrophobicContact CD1-CG2 4Å; L412-V425 HydrophobicContact CD1-CG2 3.8Å; F421-V425 HydrophobicContact CD1-CG2 4.07Å; F421-V425 HydrophobicContact CE1-CG2 3.69Å; F421-V425 HydrophobicContact CE2-CG2 4.39Å; F421-V425 HydrophobicContact CZ-CG2 3.87Å; F421-V425 WeakPolarHBondContact O-CG2 3.26Å; F421-V425 PolarHBondContact O-N 3.16Å; W422-V425 HydrophobicContact CE3-CB 4.3Å; W422-V425 HydrophobicContact CE3-CG1 4.22Å; W422-V425 HydrophobicContact CZ3-CG1 4.32Å; W422-V425 PolarHBondContact O-N 3.18Å; V425-K427 PolarHBondContact O-N 3.17Å; V425-V428 PolarHBondContact O-N 2.96Å; V425-N429 PolarHBondContact O-N 3.31Å; V425-N429 PolarHBondContact O-ND2 3.08Å
426G97.8Very high97.3Very high3 Ų355.3 Ų55.33%0.03128%0.279CS..Hα-helixtrans-58.9-46178.900000112.8W422 Q423 E424 V428 N429 L430 D456W422-G426 PolarHBondContact O-N 3.34Å; Q423-G426 PolarHBondContact O-N 2.98Å; E424-G426 VanDerWaalsContact C-N 3.32Å; E424-G426 PolarHBondContact O-N 3.21Å; G426-V428 PolarHBondContact O-N 3.25Å; G426-N429 PolarHBondContact O-N 3.34Å; G426-L430 PolarHBondContact O-N 3.03Å; G426-D456 WeakPolarHBondContact O-CB 3.45Å
427K97.7Very high97.4Very high120 Ų12051.8 Ų51.852%0.52226%0.255SS..Hα-helixtrans-59.2-45.4176.5-70.1172.8-165.4166.40112.2Q423 E424 V425 L430 A431Q423-K427 WeakPolarHBondContact O-CG 3.45Å; Q423-K427 PolarHBondContact O-N 3.24Å; Q423-K427 VanDerWaalsContact O-N 3.14Å; E424-K427 PolarHBondContact O-N 2.61Å; E424-K427 WeakPolarHBondContact OE1-CD 3.48Å; E424-K427 IonicContact OE1-NZ 3.52Å; E424-K427 PolarHBondContact OE1-NZ 3.14Å; V425-K427 PolarHBondContact O-N 3.17Å; K427-L430 PolarHBondContact O-N 3.45Å; K427-A431 WeakPolarHBondContact O-CB 3.35Å; K427-A431 PolarHBondContact O-N 3.28Å
428V97.8Very high97.4Very high6 Ų650.7 Ų50.74%0.03626%0.255CS..Hα-helixtrans-64.6-43.6-179.9168.40000111.3F407 P409 E424 V425 G426 L430 A431 L432 L487F407-V428 HydrophobicContact CD1-CG1 4.13Å; P409-V428 HydrophobicContact CB-CG1 4.22Å; P409-V428 HydrophobicContact CG-CB 4.47Å; P409-V428 HydrophobicContact CG-CG1 4.27Å; P409-V428 HydrophobicContact CG-CG2 4.12Å; E424-V428 WeakPolarHBondContact O-CG2 3.47Å; E424-V428 PolarHBondContact O-N 3.38Å; V425-V428 PolarHBondContact O-N 2.96Å; G426-V428 PolarHBondContact O-N 3.25Å; V428-L430 PolarHBondContact O-N 3.38Å; V428-A431 PolarHBondContact O-N 3.47Å; V428-L432 WeakPolarHBondContact O-CB 3.43Å; V428-L432 PolarHBondContact O-N 2.69Å; V428-L487 HydrophobicContact CG1-CB 4.36Å
429N98.4Very high97.4Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-64.3-41.4180-79.9-105.1000111.3W406 F407 V425 G426 L432 K433 I446 D456 F458W406-N429 WeakPolarHBondContact CA-OD1 3.09Å; F407-N429 PolarHBondContact N-OD1 3.36Å; F407-N429 PolarHBondContact O-ND2 2.93Å; V425-N429 PolarHBondContact O-N 3.31Å; V425-N429 PolarHBondContact O-ND2 3.08Å; G426-N429 PolarHBondContact O-N 3.34Å; N429-L432 PolarHBondContact O-N 2.96Å; N429-K433 PolarHBondContact O-N 3.5Å; N429-I446 HydrophobicContact CB-CD1 3.85Å; N429-I446 WeakPolarHBondContact O-CD1 3.45Å; N429-D456 WeakPolarHBondContact CB-O 3.36Å; N429-F458 HydrophobicContact CB-CD2 4.45Å; N429-F458 HydrophobicContact CB-CE2 4.02Å; N429-F458 WeakPolarHBondContact O-CZ 3.42Å; N429-F458 WeakPolarHBondContact OD1-CD2 3.22Å; N429-F458 VanDerWaalsContact OD1-CE2 3.22Å; N429-F458 WeakPolarHBondContact OD1-CE2 3.44Å
430L98.1Very high97.4Very high69 Ų6944.1 Ų44.136%0.36122%0.224SC..Hα-helixtrans-64-46.8173.9-179.859.5000112.1G426 K427 V428 L432 K433 L434 I446G426-L430 PolarHBondContact O-N 3.03Å; K427-L430 PolarHBondContact O-N 3.45Å; V428-L430 PolarHBondContact O-N 3.38Å; L430-L432 VanDerWaalsContact C-N 3.31Å; L430-L432 PolarHBondContact O-N 3.44Å; L430-K433 PolarHBondContact O-N 2.96Å; L430-L434 HydrophobicContact CG-CD1 4.47Å; L430-L434 WeakPolarHBondContact O-CG 3.37Å; L430-L434 PolarHBondContact O-N 3.32Å; L430-I446 HydrophobicContact CD1-CG2 4.47Å
431A97.9Very high97.4Very high38 Ų3842.7 Ų42.731%0.31422%0.217SC..Hα-helixtrans-60.1-41.7177.300000111.8K427 V428 L434 K435 L487K427-A431 WeakPolarHBondContact O-CB 3.35Å; K427-A431 PolarHBondContact O-N 3.28Å; V428-A431 PolarHBondContact O-N 3.47Å; A431-L434 PolarHBondContact O-N 3.27Å; A431-K435 WeakPolarHBondContact O-CB 3.34Å; A431-K435 PolarHBondContact O-N 2.57Å; A431-L487 HydrophobicContact CB-CD1 4.37Å
432L97.8Very high97.4Very high0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-63.1-44.1177.6-177.653.6000111.9F407 V428 N429 L430 L434 K435 M436 F458 I480 T483 A484 L487F407-L432 HydrophobicContact CB-CD2 4.17Å; F407-L432 HydrophobicContact CD1-CD2 4.1Å; F407-L432 HydrophobicContact CG-CD2 4.05Å; V428-L432 WeakPolarHBondContact O-CB 3.43Å; V428-L432 PolarHBondContact O-N 2.69Å; N429-L432 PolarHBondContact O-N 2.96Å; L430-L432 VanDerWaalsContact C-N 3.31Å; L430-L432 PolarHBondContact O-N 3.44Å; L432-L434 PolarHBondContact O-N 2.7Å; L432-K435 PolarHBondContact O-N 3.06Å; L432-M436 HydrophobicContact CD1-CG 4.38Å; L432-M436 HydrophobicContact CG-CE 4.24Å; L432-M436 WeakPolarHBondContact O-CG 3.27Å; L432-M436 PolarHBondContact O-N 2.76Å; L432-F458 HydrophobicContact CB-CZ 4.04Å; L432-F458 HydrophobicContact CD2-CE2 3.95Å; L432-F458 HydrophobicContact CD2-CZ 3.99Å; L432-F458 HydrophobicContact CG-CE2 4.37Å; L432-F458 HydrophobicContact CG-CZ 3.91Å; L432-I480 HydrophobicContact CD2-CG2 3.59Å; L432-I480 HydrophobicContact CG-CG2 4.49Å; L432-T483 HydrophobicContact CD1-CG2 3.69Å; L432-A484 HydrophobicContact CD1-CB 3.85Å; L432-A484 HydrophobicContact CD2-CB 3.86Å; L432-A484 HydrophobicContact CG-CB 4.46Å; L432-L487 HydrophobicContact CB-CD1 4Å; L432-L487 HydrophobicContact CD1-CD1 4.27Å
433K97.9Very high97.5Very high51 Ų5140.9 Ų40.922%0.22221%0.211CC..Hα-helixtrans-55.6-51.8171.4169.8-176.1170.1-166.90111.2N429 L430 K435 M436 V437 I446 F458N429-K433 PolarHBondContact O-N 3.5Å; L430-K433 PolarHBondContact O-N 2.96Å; K433-K435 VanDerWaalsContact C-N 3.3Å; K433-K435 PolarHBondContact O-N 3.3Å; K433-M436 PolarHBondContact O-N 2.94Å; K433-V437 HydrophobicContact CG-CG2 4.44Å; K433-V437 WeakPolarHBondContact O-CG2 3.42Å; K433-V437 PolarHBondContact O-N 3.26Å; K433-I446 HydrophobicContact CB-CD1 4.45Å; K433-I446 HydrophobicContact CB-CG1 3.52Å; K433-I446 HydrophobicContact CD-CB 3.58Å; K433-I446 HydrophobicContact CD-CG1 3.4Å; K433-I446 VanDerWaalsContact CD-CG1 3.4Å; K433-I446 HydrophobicContact CG-CG1 4.02Å; K433-F458 HydrophobicContact CB-CE1 3.99Å; K433-F458 HydrophobicContact CB-CZ 4.4Å
434L97.5Very high97.5Very high99 Ų9935.7 Ų35.752%0.51819%0.187SC..Hα-helixtrans-59.1-44.5-177.5-66.8175.4000110.7L430 A431 L432 M436 V437 T438L430-L434 HydrophobicContact CG-CD1 4.47Å; L430-L434 WeakPolarHBondContact O-CG 3.37Å; L430-L434 PolarHBondContact O-N 3.32Å; A431-L434 PolarHBondContact O-N 3.27Å; L432-L434 PolarHBondContact O-N 2.7Å; L434-M436 PolarHBondContact O-N 2.96Å; L434-V437 PolarHBondContact O-N 2.89Å; L434-T438 WeakPolarHBondContact O-CG2 3.44Å; L434-T438 PolarHBondContact O-N 3.22Å; L434-T438 PolarHBondContact O-OG1 3.2Å
435K97.6Very high97.5Very high55 Ų5534.5 Ų34.524%0.23918%0.181CC..Hα-helixtrans-62.4-41.3176.9-171.4174.6176.2-172.10113.1A431 L432 K433 V437 T438 T439 T483 D486A431-K435 WeakPolarHBondContact O-CB 3.34Å; A431-K435 PolarHBondContact O-N 2.57Å; L432-K435 PolarHBondContact O-N 3.06Å; K433-K435 VanDerWaalsContact C-N 3.3Å; K433-K435 PolarHBondContact O-N 3.3Å; K435-V437 VanDerWaalsContact C-N 3.35Å; K435-T438 PolarHBondContact O-OG1 3.1Å; K435-T439 WeakPolarHBondContact O-CB 3.13Å; K435-T439 WeakPolarHBondContact O-CG2 3.4Å; K435-T439 PolarHBondContact O-N 3.31Å; K435-T439 VanDerWaalsContact O-N 3.09Å; K435-T439 PolarHBondContact O-OG1 3.11Å; K435-T483 HydrophobicContact CB-CG2 4.21Å; K435-T483 HydrophobicContact CD-CG2 3.76Å; K435-T483 HydrophobicContact CG-CG2 3.76Å; K435-T483 PolarHBondContact NZ-O 2.98Å; K435-D486 IonicContact NZ-OD1 3.23Å; K435-D486 PolarHBondContact NZ-OD1 3.21Å; K435-D486 IonicContact NZ-OD2 3.18Å; K435-D486 PolarHBondContact NZ-OD2 2.84Å
436M97.8Very high97.5Very high0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-64.8-38.6176.5-72.7-172.6-63.100112.3L432 K433 L434 T439 G440 K441 A442 I444 F458 I480 T483L432-M436 HydrophobicContact CD1-CG 4.38Å; L432-M436 HydrophobicContact CG-CE 4.24Å; L432-M436 WeakPolarHBondContact O-CG 3.27Å; L432-M436 PolarHBondContact O-N 2.76Å; K433-M436 PolarHBondContact O-N 2.94Å; L434-M436 PolarHBondContact O-N 2.96Å; M436-T439 PolarHBondContact O-OG1 3.19Å; M436-G440 PolarHBondContact O-N 3.41Å; M436-G440 VanDerWaalsContact O-N 3.14Å; M436-K441 PolarHBondContact O-N 3.16Å; M436-A442 CarbonylContact C-O 2.97Å; M436-A442 VanDerWaalsContact C-O 3.23Å; M436-A442 HydrophobicContact CB-CB 4.21Å; M436-A442 WeakPolarHBondContact CB-O 3.4Å; M436-A442 HydrophobicContact CG-CB 4.47Å; M436-A442 PolarHBondContact O-N 3.17Å; M436-A442 HydrophobicContact SD-CB 3.91Å; M436-I444 HydrophobicContact CE-CD1 4.02Å; M436-I444 HydrophobicContact CE-CG1 4.37Å; M436-I444 HydrophobicContact SD-CD1 4.31Å; M436-F458 HydrophobicContact CE-CD1 4.46Å; M436-F458 HydrophobicContact CE-CE1 3.45Å; M436-F458 VanDerWaalsContact CE-CE1 3.45Å; M436-F458 HydrophobicContact CE-CZ 3.73Å; M436-I480 HydrophobicContact SD-CG1 3.99Å; M436-T483 HydrophobicContact CG-CG2 3.84Å
437V97.5Very high97.4Very high22 Ų2237.5 Ų37.513%0.13320%0.195CC..Hα-helixtrans-69.3-48.5177.8175.90000111I34 F36 K433 L434 K435 T439 G440 A442 M443I34-V437 HydrophobicContact CG2-CG1 4.36Å; F36-V437 HydrophobicContact CD2-CG1 3.86Å; F36-V437 HydrophobicContact CE2-CG1 4.42Å; F36-V437 HydrophobicContact CG-CG1 4.34Å; K433-V437 HydrophobicContact CG-CG2 4.44Å; K433-V437 WeakPolarHBondContact O-CG2 3.42Å; K433-V437 PolarHBondContact O-N 3.26Å; L434-V437 PolarHBondContact O-N 2.89Å; K435-V437 VanDerWaalsContact C-N 3.35Å; V437-T439 VanDerWaalsContact C-N 3.28Å; V437-T439 PolarHBondContact O-N 3.06Å; V437-G440 PolarHBondContact O-N 3.18Å; V437-A442 PolarHBondContact N-O 3.34Å; V437-M443 HydrophobicContact CG2-CG 4.19Å
438T96.8Very high97.4Very high77 Ų7737.8 Ų37.847%0.47220%0.196SC..Hα-helixtrans-66.6-31.1-177.456.90000112.7F36 L434 K435 G440F36-T438 HydrophobicContact CD1-CG2 4.05Å; F36-T438 HydrophobicContact CE1-CG2 4.24Å; L434-T438 WeakPolarHBondContact O-CG2 3.44Å; L434-T438 PolarHBondContact O-N 3.22Å; L434-T438 PolarHBondContact O-OG1 3.2Å; K435-T438 PolarHBondContact O-OG1 3.1Å; T438-G440 VanDerWaalsContact C-N 3.34Å
439T95.9Very high97.3Very high70 Ų7038.1 Ų38.143%0.42920%0.197SC..THydrogen-bonded Turntrans-86.8-4.317558.70000113.4K435 M436 V437 K441K435-T439 WeakPolarHBondContact O-CB 3.13Å; K435-T439 WeakPolarHBondContact O-CG2 3.4Å; K435-T439 PolarHBondContact O-N 3.31Å; K435-T439 VanDerWaalsContact O-N 3.09Å; K435-T439 PolarHBondContact O-OG1 3.11Å; M436-T439 PolarHBondContact O-OG1 3.19Å; V437-T439 VanDerWaalsContact C-N 3.28Å; V437-T439 PolarHBondContact O-N 3.06Å; T439-K441 PolarHBondContact O-N 2.9Å; T439-K441 WeakPolarHBondContact OG1-CG 3.32Å
440G96.5Very high97Very high3 Ų342.5 Ų42.53%0.03123%0.226CC..THydrogen-bonded Turntrans66.216.3-178.200000114.6P32 V33 I34 M436 V437 T438P32-G440 CarbonylContact C-O 3.55Å; P32-G440 VanDerWaalsContact CA-O 3.25Å; P32-G440 WeakPolarHBondContact CA-O 3.33Å; P32-G440 WeakPolarHBondContact CB-O 3.11Å; V33-G440 WeakPolarHBondContact CG1-O 3.37Å; V33-G440 PolarHBondContact N-O 3.36Å; I34-G440 VanDerWaalsContact O-CA 3.3Å; I34-G440 WeakPolarHBondContact O-CA 3.48Å; M436-G440 PolarHBondContact O-N 3.41Å; M436-G440 VanDerWaalsContact O-N 3.14Å; V437-G440 PolarHBondContact O-N 3.18Å; T438-G440 VanDerWaalsContact C-N 3.34Å
441K96.2Very high96.5Very high92 Ų9243.7 Ų43.740%0.423%0.233SC..SBendtrans-75.7-40.4-178.6-72.5-178-179.2-176.90112.9Y78 M436 T439 T479 T483Y78-K441 WeakPolarHBondContact CD2-O 3.06Å; M436-K441 PolarHBondContact O-N 3.16Å; T439-K441 PolarHBondContact O-N 2.9Å; T439-K441 WeakPolarHBondContact OG1-CG 3.32Å; K441-T479 HydrophobicContact CB-CG2 4.09Å; K441-T483 WeakPolarHBondContact CD-OG1 3.3Å
442A97.2Very high96.3Very high0 Ų043.7 Ų43.70%023%0.226CC..  trans-160.4152.8179.400000110.9M436 V437 I444M436-A442 CarbonylContact C-O 2.97Å; M436-A442 VanDerWaalsContact C-O 3.23Å; M436-A442 HydrophobicContact CB-CB 4.21Å; M436-A442 WeakPolarHBondContact CB-O 3.4Å; M436-A442 HydrophobicContact CG-CB 4.47Å; M436-A442 PolarHBondContact O-N 3.17Å; M436-A442 HydrophobicContact SD-CB 3.91Å; V437-A442 PolarHBondContact N-O 3.34Å; A442-I444 HydrophobicContact CB-CD1 4.33Å; A442-I444 HydrophobicContact CB-CG1 4.15Å
443M97.9Very high96Very high19 Ų1950.8 Ų50.89%0.09426%0.264CS..EExtended strand (participates in β ladder)trans-121.3100.7169-74.6-176.57700107.5V33 I34 V72 Y78 F79 R80 N81 V437V33-M443 HydrophobicContact CG1-CB 4.32Å; V33-M443 HydrophobicContact CG1-CG 3.66Å; V33-M443 HydrophobicContact CG1-SD 4.31Å; V33-M443 HydrophobicContact CG2-CB 4.26Å; V33-M443 HydrophobicContact CG2-CG 4.06Å; V33-M443 HydrophobicContact CG2-SD 4.07Å; I34-M443 HydrophobicContact CB-SD 4.07Å; I34-M443 HydrophobicContact CG2-CG 4.31Å; I34-M443 HydrophobicContact CG2-SD 3.88Å; V72-M443 HydrophobicContact CB-SD 4.4Å; V72-M443 HydrophobicContact CG1-CE 4.4Å; V72-M443 HydrophobicContact CG1-SD 3.61Å; V72-M443 HydrophobicContact CG2-CE 4.03Å; V72-M443 HydrophobicContact CG2-SD 3.87Å; Y78-M443 PolarHBondContact O-N 3.01Å; F79-M443 HydrophobicContact CD2-CB 4.03Å; F79-M443 HydrophobicContact CD2-SD 4.13Å; F79-M443 HydrophobicContact CE2-CE 4.45Å; F79-M443 HydrophobicContact CE2-SD 4.36Å; R80-M443 CarbonylContact C-O 3.51Å; R80-M443 VanDerWaalsContact C-O 3.31Å; R80-M443 WeakPolarHBondContact CA-O 3.29Å; R80-M443 PolarHBondContact N-O 3.29Å; N81-M443 HydrophobicContact CB-CB 4.01Å; N81-M443 WeakPolarHBondContact CB-O 3.32Å; N81-M443 PolarHBondContact N-O 3.2Å; V437-M443 HydrophobicContact CG2-CG 4.19Å
444I97.7Very high95.9Very high0 Ų049.3 Ų49.30%026%0.259CS..EExtended strand (participates in β ladder)trans-120.4141.7178.9-47.6176.9000108.8N81 M436 A442 F458 V460 L476 I480N81-I444 PolarHBondContact OD1-O 3.01Å; M436-I444 HydrophobicContact CE-CD1 4.02Å; M436-I444 HydrophobicContact CE-CG1 4.37Å; M436-I444 HydrophobicContact SD-CD1 4.31Å; A442-I444 HydrophobicContact CB-CD1 4.33Å; A442-I444 HydrophobicContact CB-CG1 4.15Å; I444-F458 HydrophobicContact CB-CD1 3.94Å; I444-F458 HydrophobicContact CB-CE1 4.31Å; I444-F458 HydrophobicContact CG2-CB 4.33Å; I444-F458 HydrophobicContact CG2-CD1 3.7Å; I444-F458 HydrophobicContact CG2-CG 4.44Å; I444-V460 HydrophobicContact CD1-CG2 4.47Å; I444-V460 HydrophobicContact CG2-CG2 3.57Å; I444-L476 HydrophobicContact CD1-CD1 3.77Å; I444-L476 HydrophobicContact CD1-CG 4.48Å; I444-I480 HydrophobicContact CD1-CD1 3.7Å; I444-I480 HydrophobicContact CD1-CG1 3.93Å
445A97Very high95.9Very high0 Ų046.2 Ų46.20%024%0.244CC..EExtended strand (participates in β ladder)trans-69.5140179.100000110.9N81 F458 R459N81-A445 WeakPolarHBondContact O-CB 3.36Å; N81-A445 VanDerWaalsContact OD1-CA 3.27Å; N81-A445 WeakPolarHBondContact OD1-CA 3.33Å; N81-A445 PolarHBondContact OD1-N 3.2Å; A445-F458 CarbonylContact O-C 3.56Å; A445-F458 VanDerWaalsContact O-CA 3.27Å; A445-F458 WeakPolarHBondContact O-CA 3.03Å; A445-R459 HydrophobicContact CB-CB 4.3Å; A445-R459 PolarHBondContact O-N 2.92Å
446I97.9Very high96Very high15 Ų1545.5 Ų45.58%0.07724%0.242CC..EExtended strand (participates in β ladder)trans-107.7134.8160.2-74.5-71.3000107.4N429 L430 K433 D456 F457 F458N429-I446 HydrophobicContact CB-CD1 3.85Å; N429-I446 WeakPolarHBondContact O-CD1 3.45Å; L430-I446 HydrophobicContact CD1-CG2 4.47Å; K433-I446 HydrophobicContact CB-CD1 4.45Å; K433-I446 HydrophobicContact CB-CG1 3.52Å; K433-I446 HydrophobicContact CD-CB 3.58Å; K433-I446 HydrophobicContact CD-CG1 3.4Å; K433-I446 VanDerWaalsContact CD-CG1 3.4Å; K433-I446 HydrophobicContact CG-CG1 4.02Å; I446-D456 HydrophobicContact CG2-CB 3.71Å; I446-D456 WeakPolarHBondContact CG2-OD1 3.38Å; I446-F457 CarbonylContact C-O 3.55Å; I446-F457 VanDerWaalsContact CA-O 3.26Å; I446-F457 WeakPolarHBondContact CA-O 3.41Å; I446-F457 WeakPolarHBondContact CD1-O 3.27Å; I446-F458 HydrophobicContact CD1-CB 4.47Å; I446-F458 HydrophobicContact CD1-CD1 3.55Å; I446-F458 HydrophobicContact CD1-CD2 3.93Å; I446-F458 HydrophobicContact CD1-CE1 3.59Å; I446-F458 HydrophobicContact CD1-CE2 3.95Å; I446-F458 HydrophobicContact CD1-CG 3.73Å; I446-F458 HydrophobicContact CD1-CZ 3.79Å; I446-F458 HydrophobicContact CG1-CD1 4.09Å; I446-F458 HydrophobicContact CG1-CE1 3.95Å; I446-F458 HydrophobicContact CG1-CZ 4.45Å
447Q96.8Very high96Very high52 Ų5245.5 Ų45.524%0.24324%0.242CC..EExtended strand (participates in β ladder)trans-130.2160.2178.7-57.1-61.3-28.700109.5V240 D456 F457 R459V240-Q447 HydrophobicContact CG1-CB 3.69Å; V240-Q447 HydrophobicContact CG1-CG 4Å; V240-Q447 HydrophobicContact CG2-CB 4.44Å; V240-Q447 HydrophobicContact CG2-CG 4.33Å; Q447-D456 CarbonylContact O-C 3.45Å; Q447-D456 VanDerWaalsContact O-CA 3.28Å; Q447-D456 WeakPolarHBondContact O-CA 3.34Å; Q447-F457 HydrophobicContact CB-CD2 4.2Å; Q447-F457 HydrophobicContact CB-CE2 3.69Å; Q447-F457 HydrophobicContact CB-CZ 3.88Å; Q447-F457 HydrophobicContact CG-CE2 4.48Å; Q447-F457 PolarHBondContact N-O 2.86Å; Q447-F457 PolarHBondContact O-N 3.28Å; Q447-R459 HydrophobicContact CG-CB 4.11Å
448K96.2Very high96Very high126 Ų12644.4 Ų44.455%0.54824%0.236SC..EExtended strand (participates in β ladder)trans-143.3147.5171.364.6-178.2-177.7-179.20108.9
449L95.8Very high96Very high12 Ų1241.1 Ų41.16%0.06322%0.215CC..EExtended strand (participates in β ladder)trans-131.585.9177.8-65.8178.9000109.4V240 L241 D451 Q452 N453 L454 F457V240-L449 HydrophobicContact CB-CD1 4.39Å; V240-L449 HydrophobicContact CB-CD2 4.33Å; V240-L449 HydrophobicContact CG1-CD1 3.83Å; V240-L449 HydrophobicContact CG1-CD2 4.15Å; V240-L449 HydrophobicContact CG1-CG 3.98Å; V240-L449 HydrophobicContact CG2-CD2 4.22Å; L241-L449 HydrophobicContact CD1-CD1 3.63Å; L241-L449 HydrophobicContact CD2-CD1 3.89Å; L241-L449 HydrophobicContact CG-CD1 3.66Å; L449-D451 PolarHBondContact O-N 3.12Å; L449-Q452 HydrophobicContact CB-CB 4.32Å; L449-Q452 CarbonylContact O-C 3.48Å; L449-Q452 PolarHBondContact O-N 3.34Å; L449-N453 PolarHBondContact O-N 3.34Å; L449-L454 HydrophobicContact CB-CB 4.09Å; L449-L454 HydrophobicContact CB-CD1 4.12Å; L449-L454 HydrophobicContact CB-CG 4.45Å; L449-L454 HydrophobicContact CD1-CD1 4.1Å; L449-L454 PolarHBondContact N-O 3.36Å; L449-L454 PolarHBondContact O-N 3.33Å; L449-F457 HydrophobicContact CD1-CZ 4.26Å; L449-F457 HydrophobicContact CG-CE1 4.39Å; L449-F457 HydrophobicContact CG-CZ 4.23Å
450P92.2Very high96Very high93 Ų9337.8 Ų37.860%0.60419%0.194SC*.G310 helixtrans-61.3-30.8-178.8-2334.2000113.3Q452 N453P450-Q452 PolarHBondContact O-N 2.89Å; P450-N453 PolarHBondContact O-N 3.41Å; P450-N453 VanDerWaalsContact O-N 3.1Å
451D89.2Confident96Very high94 Ų9437.7 Ų37.750%0.50319%0.193SC..G310 helixtrans-61.9-21.1174.459.6-51000113Q179 L449Q179-D451 PolarHBondContact NE2-OD2 3.37Å; L449-D451 PolarHBondContact O-N 3.12Å
452Q92.3Very high95.9Very high38 Ų3833.3 Ų33.318%0.17817%0.174CC..G310 helixtrans-113.611.9175.9-58.8-164.321.800113.1N204 R205 L449 P450 L454N204-Q452 PolarHBondContact O-NE2 3.48Å; R205-Q452 PolarHBondContact O-OE1 2.97Å; L449-Q452 HydrophobicContact CB-CB 4.32Å; L449-Q452 CarbonylContact O-C 3.48Å; L449-Q452 PolarHBondContact O-N 3.34Å; P450-Q452 PolarHBondContact O-N 2.89Å; Q452-L454 HydrophobicContact CB-CD1 3.9Å; Q452-L454 HydrophobicContact CB-CG 3.82Å; Q452-L454 PolarHBondContact O-N 3.37Å
453N93.2Very high95.8Very high149 Ų14933.6 Ų33.680%0.79718%0.176SC*.THydrogen-bonded Turntrans54.531.6-173.2-60.9-42.3000113.8L449 P450L449-N453 PolarHBondContact O-N 3.34Å; P450-N453 PolarHBondContact O-N 3.41Å; P450-N453 VanDerWaalsContact O-N 3.1Å
454L95.5Very high95.7Very high20 Ų2032.8 Ų32.811%0.10517%0.172CC..EExtended strand (participates in β ladder)trans-96.6111.6178.3-55.9175.5000110.4V394 W406 L449 Q452 F457V394-L454 HydrophobicContact CG1-CD1 3.64Å; V394-L454 HydrophobicContact CG1-CD2 4.24Å; W406-L454 HydrophobicContact CH2-CD2 3.69Å; W406-L454 HydrophobicContact CZ2-CB 4.34Å; W406-L454 HydrophobicContact CZ2-CD2 3.79Å; L449-L454 HydrophobicContact CB-CB 4.09Å; L449-L454 HydrophobicContact CB-CD1 4.12Å; L449-L454 HydrophobicContact CB-CG 4.45Å; L449-L454 HydrophobicContact CD1-CD1 4.1Å; L449-L454 PolarHBondContact N-O 3.36Å; L449-L454 PolarHBondContact O-N 3.33Å; Q452-L454 HydrophobicContact CB-CD1 3.9Å; Q452-L454 HydrophobicContact CB-CG 3.82Å; Q452-L454 PolarHBondContact O-N 3.37Å; L454-F457 HydrophobicContact CB-CD1 4.17Å; L454-F457 HydrophobicContact CB-CE1 3.78Å; L454-F457 HydrophobicContact CD1-CE1 4.15Å
455V97.5Very high95.5Very high34 Ų3433.7 Ų33.721%0.20618%0.176CC..EExtended strand (participates in β ladder)trans-68.8170171.8-59.30000111.9W406 W422 F457W406-V455 PolarHBondContact NE1-O 2.86Å; W422-V455 HydrophobicContact CB-CG1 4.02Å; W422-V455 HydrophobicContact CB-CG2 4.27Å; W422-V455 HydrophobicContact CE3-CG2 3.95Å; W422-V455 WeakPolarHBondContact O-CG2 3.22Å; V455-F457 WeakPolarHBondContact O-CD1 3.44Å; V455-F457 PolarHBondContact O-N 3.28Å; V455-F457 VanDerWaalsContact O-N 3.12Å
456D98.4Very high95.2Very high39 Ų3934.2 Ų34.221%0.20918%0.179CC..EExtended strand (participates in β ladder)trans-46.8114.1-178.6-64-108.4000113.9W406 G426 N429 I446 Q447W406-D456 VanDerWaalsContact CD1-O 3.23Å; G426-D456 WeakPolarHBondContact O-CB 3.45Å; N429-D456 WeakPolarHBondContact CB-O 3.36Å; I446-D456 HydrophobicContact CG2-CB 3.71Å; I446-D456 WeakPolarHBondContact CG2-OD1 3.38Å; Q447-D456 CarbonylContact O-C 3.45Å; Q447-D456 VanDerWaalsContact O-CA 3.28Å; Q447-D456 WeakPolarHBondContact O-CA 3.34Å
457F98Very high94.7Very high0 Ų035.6 Ų35.60%019%0.193CC..EExtended strand (participates in β ladder)trans-126.5155.9177.354.9-97.6000111.6V240 L241 V394 C404 F405 W406 I446 Q447 L449 L454 V455V240-F457 HydrophobicContact CG1-CE2 3.7Å; V240-F457 HydrophobicContact CG1-CZ 3.42Å; V240-F457 VanDerWaalsContact CG1-CZ 3.42Å; L241-F457 HydrophobicContact CD2-CE2 4.43Å; L241-F457 HydrophobicContact CD2-CZ 4.12Å; V394-F457 HydrophobicContact CG2-CB 3.78Å; V394-F457 HydrophobicContact CG2-CD1 3.95Å; V394-F457 HydrophobicContact CG2-CD2 3.85Å; V394-F457 HydrophobicContact CG2-CE2 4.37Å; V394-F457 HydrophobicContact CG2-CG 3.62Å; C404-F457 HydrophobicContact CB-CD2 3.89Å; C404-F457 HydrophobicContact CB-CE2 3.85Å; F405-F457 WeakPolarHBondContact O-CB 2.93Å; W406-F457 HydrophobicContact CD2-CB 4.22Å; W406-F457 HydrophobicContact CG-CB 4.09Å; W406-F457 HydrophobicContact CZ2-CD1 4.29Å; I446-F457 CarbonylContact C-O 3.55Å; I446-F457 VanDerWaalsContact CA-O 3.26Å; I446-F457 WeakPolarHBondContact CA-O 3.41Å; I446-F457 WeakPolarHBondContact CD1-O 3.27Å; Q447-F457 HydrophobicContact CB-CD2 4.2Å; Q447-F457 HydrophobicContact CB-CE2 3.69Å; Q447-F457 HydrophobicContact CB-CZ 3.88Å; Q447-F457 HydrophobicContact CG-CE2 4.48Å; Q447-F457 PolarHBondContact N-O 2.86Å; Q447-F457 PolarHBondContact O-N 3.28Å; L449-F457 HydrophobicContact CD1-CZ 4.26Å; L449-F457 HydrophobicContact CG-CE1 4.39Å; L449-F457 HydrophobicContact CG-CZ 4.23Å; L454-F457 HydrophobicContact CB-CD1 4.17Å; L454-F457 HydrophobicContact CB-CE1 3.78Å; L454-F457 HydrophobicContact CD1-CE1 4.15Å; V455-F457 WeakPolarHBondContact O-CD1 3.44Å; V455-F457 PolarHBondContact O-N 3.28Å; V455-F457 VanDerWaalsContact O-N 3.12Å
458F98Very high94.5Very high0 Ų033.2 Ų33.20%018%0.182CC..EExtended strand (participates in β ladder)trans-75.6141.7172.2-72.1-77.4000111.7C404 F405 F407 N429 L432 K433 M436 I444 A445 I446C404-F458 CarbonylContact C-O 3.54Å; C404-F458 VanDerWaalsContact CA-O 3.23Å; C404-F458 WeakPolarHBondContact CA-O 3.13Å; F405-F458 HydrophobicContact CD1-CB 4.27Å; F405-F458 HydrophobicContact CD2-CB 4.14Å; F405-F458 HydrophobicContact CD2-CD2 4.43Å; F405-F458 HydrophobicContact CE1-CB 3.87Å; F405-F458 HydrophobicContact CE2-CB 3.72Å; F405-F458 AromaticContact CE2-CD2 3.91Å; F405-F458 HydrophobicContact CE2-CD2 3.91Å; F405-F458 HydrophobicContact CE2-CG 4.06Å; F405-F458 HydrophobicContact CG-CB 4.4Å; F405-F458 HydrophobicContact CZ-CB 3.58Å; F405-F458 HydrophobicContact CZ-CD2 4.45Å; F405-F458 HydrophobicContact CZ-CG 4.15Å; F405-F458 PolarHBondContact N-O 2.99Å; F405-F458 PolarHBondContact O-N 2.99Å; F407-F458 HydrophobicContact CB-CE2 4.45Å; N429-F458 HydrophobicContact CB-CD2 4.45Å; N429-F458 HydrophobicContact CB-CE2 4.02Å; N429-F458 WeakPolarHBondContact O-CZ 3.42Å; N429-F458 WeakPolarHBondContact OD1-CD2 3.22Å; N429-F458 VanDerWaalsContact OD1-CE2 3.22Å; N429-F458 WeakPolarHBondContact OD1-CE2 3.44Å; L432-F458 HydrophobicContact CB-CZ 4.04Å; L432-F458 HydrophobicContact CD2-CE2 3.95Å; L432-F458 HydrophobicContact CD2-CZ 3.99Å; L432-F458 HydrophobicContact CG-CE2 4.37Å; L432-F458 HydrophobicContact CG-CZ 3.91Å; K433-F458 HydrophobicContact CB-CE1 3.99Å; K433-F458 HydrophobicContact CB-CZ 4.4Å; M436-F458 HydrophobicContact CE-CD1 4.46Å; M436-F458 HydrophobicContact CE-CE1 3.45Å; M436-F458 VanDerWaalsContact CE-CE1 3.45Å; M436-F458 HydrophobicContact CE-CZ 3.73Å; I444-F458 HydrophobicContact CB-CD1 3.94Å; I444-F458 HydrophobicContact CB-CE1 4.31Å; I444-F458 HydrophobicContact CG2-CB 4.33Å; I444-F458 HydrophobicContact CG2-CD1 3.7Å; I444-F458 HydrophobicContact CG2-CG 4.44Å; A445-F458 CarbonylContact O-C 3.56Å; A445-F458 VanDerWaalsContact O-CA 3.27Å; A445-F458 WeakPolarHBondContact O-CA 3.03Å; I446-F458 HydrophobicContact CD1-CB 4.47Å; I446-F458 HydrophobicContact CD1-CD1 3.55Å; I446-F458 HydrophobicContact CD1-CD2 3.93Å; I446-F458 HydrophobicContact CD1-CE1 3.59Å; I446-F458 HydrophobicContact CD1-CE2 3.95Å; I446-F458 HydrophobicContact CD1-CG 3.73Å; I446-F458 HydrophobicContact CD1-CZ 3.79Å; I446-F458 HydrophobicContact CG1-CD1 4.09Å; I446-F458 HydrophobicContact CG1-CE1 3.95Å; I446-F458 HydrophobicContact CG1-CZ 4.45Å
459R96.9Very high94.4Very high7 Ų733.2 Ų33.23%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-120.9118.7164.5-175.4-157.170.8-164.9-4.5109N81 T239 V240 V403 A445 Q447 T461N81-R459 PolarHBondContact O-NH2 2.92Å; T239-R459 WeakPolarHBondContact O-CD 3.48Å; T239-R459 PolarHBondContact O-NH1 3.42Å; V240-R459 WeakPolarHBondContact O-CD 3.12Å; V403-R459 WeakPolarHBondContact O-CA 3.26Å; A445-R459 HydrophobicContact CB-CB 4.3Å; A445-R459 PolarHBondContact O-N 2.92Å; Q447-R459 HydrophobicContact CG-CB 4.11Å; R459-T461 PolarHBondContact NE-OG1 3.19Å
460V96.5Very high94.5Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-105.2118.2170.3173.80000108.3R80 L381 S402 V403 F405 I444 F462 L476R80-V460 HydrophobicContact CB-CG1 4.17Å; R80-V460 HydrophobicContact CG-CG1 4.09Å; L381-V460 HydrophobicContact CD2-CB 3.8Å; L381-V460 HydrophobicContact CD2-CG1 3.79Å; L381-V460 HydrophobicContact CD2-CG2 4.2Å; S402-V460 CarbonylContact C-O 3.59Å; S402-V460 WeakPolarHBondContact CA-O 3.42Å; V403-V460 PolarHBondContact N-O 2.83Å; V403-V460 PolarHBondContact O-N 2.92Å; F405-V460 HydrophobicContact CE1-CB 4.42Å; F405-V460 HydrophobicContact CE1-CG2 3.73Å; F405-V460 HydrophobicContact CZ-CG2 4.15Å; I444-V460 HydrophobicContact CD1-CG2 4.47Å; I444-V460 HydrophobicContact CG2-CG2 3.57Å; V460-F462 HydrophobicContact CG1-CD2 4.24Å; V460-F462 HydrophobicContact CG1-CE1 4.48Å; V460-F462 HydrophobicContact CG1-CE2 3.75Å; V460-F462 HydrophobicContact CG1-CZ 3.9Å; V460-L476 HydrophobicContact CG1-CD2 4.44Å; V460-L476 HydrophobicContact CG2-CD2 4.45Å
461T95.1Very high94.7Very high1 Ų137.7 Ų37.71%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-107.5126.4173.3-61.30000109.3R80 L83 L267 S402 R459R80-T461 WeakPolarHBondContact CD-O 3.43Å; L83-T461 HydrophobicContact CD2-CG2 4Å; L267-T461 HydrophobicContact CD1-CG2 4.36Å; S402-T461 WeakPolarHBondContact OG-CB 3.49Å; S402-T461 WeakPolarHBondContact OG-CG2 3.2Å; S402-T461 PolarHBondContact OG-OG1 3.4Å; R459-T461 PolarHBondContact NE-OG1 3.19Å
462F95.7Very high95Very high1 Ų134.4 Ų34.40%0.00418%0.175CC..  trans-89.4130.4176-69-85.9000110.8A374 N377 A378 L381 C401 V460 M468 V473A374-F462 HydrophobicContact CB-CB 4.16Å; A374-F462 VanDerWaalsContact O-CB 3.26Å; A374-F462 WeakPolarHBondContact O-CB 3.34Å; N377-F462 HydrophobicContact CB-CD1 3.51Å; N377-F462 HydrophobicContact CB-CD2 4.25Å; N377-F462 HydrophobicContact CB-CE1 3.61Å; N377-F462 HydrophobicContact CB-CE2 4.33Å; N377-F462 HydrophobicContact CB-CG 3.84Å; N377-F462 HydrophobicContact CB-CZ 4.02Å; N377-F462 WeakPolarHBondContact O-CE2 3.25Å; N377-F462 WeakPolarHBondContact O-CZ 3.33Å; A378-F462 HydrophobicContact CB-CD2 3.75Å; A378-F462 HydrophobicContact CB-CE2 4.15Å; L381-F462 HydrophobicContact CB-CE2 4.03Å; L381-F462 HydrophobicContact CB-CZ 4.04Å; L381-F462 HydrophobicContact CD2-CE2 3.72Å; L381-F462 HydrophobicContact CD2-CZ 3.86Å; C401-F462 PolarHBondContact O-N 2.7Å; V460-F462 HydrophobicContact CG1-CD2 4.24Å; V460-F462 HydrophobicContact CG1-CE1 4.48Å; V460-F462 HydrophobicContact CG1-CE2 3.75Å; V460-F462 HydrophobicContact CG1-CZ 3.9Å; F462-M468 HydrophobicContact CD1-SD 4.38Å; F462-M468 HydrophobicContact CE1-SD 3.78Å; F462-V473 HydrophobicContact CE1-CG2 3.91Å; F462-V473 HydrophobicContact CZ-CG1 4.4Å; F462-V473 HydrophobicContact CZ-CG2 4.13Å
463T95.1Very high95.3Very high5 Ų532.6 Ų32.63%0.03117%0.167CC..  trans-111.1158.7173.855.80000109.9H465T463-H465 PolarHBondContact O-N 3.41Å; T463-H465 PolarHBondContact OG1-O 2.97Å
464C95.4Very high95.5Very high2 Ų227.3 Ų27.31%0.01414%0.139CC..SBendtrans-62.9-29.6176-65.70000112T297 I298 L370 A467T297-C464 WeakPolarHBondContact O-CB 3.19Å; T297-C464 PolarHBondContact O-N 2.91Å; T297-C464 PolarHBondContact O-SG 3.49Å; I298-C464 WeakPolarHBondContact O-CB 3.45Å; L370-C464 HydrophobicContact CB-CB 3.9Å; L370-C464 PolarHBondContact O-SG 2.93Å; C464-A467 WeakPolarHBondContact O-CA 3.45Å; C464-A467 PolarHBondContact O-N 3.16Å; C464-A467 VanDerWaalsContact O-N 3.08Å
465H92.4Very high95.6Very high20 Ų2027.7 Ų27.79%0.09315%0.145CC..SBendtrans-129.4127.7177.7-59.2-84.8000111.2G86 D88 I298 T463G86-H465 PolarHBondContact N-O 2.94Å; D88-H465 IonicContact OD2-CE1 2.7Å; D88-H465 PolarHBondContact OD2-CE1 3.24Å; D88-H465 IonicContact OD2-ND1 2.57Å; D88-H465 IonicContact OD2-NE2 2.67Å; D88-H465 PolarHBondContact OD2-NE2 3.43Å; I298-H465 PolarHBondContact O-CD2 3.34Å; I298-H465 VanDerWaalsContact O-CD2 3.29Å; T463-H465 PolarHBondContact O-N 3.41Å; T463-H465 PolarHBondContact OG1-O 2.97Å
466P90.3Very high95.5Very high10 Ų1026.1 Ų26.17%0.06514%0.135CC..SBendcis-68136.1-13.932.4-36.6000111.2F25 G75 R80F25-P466 HydrophobicContact CD2-CB 4.04Å; F25-P466 HydrophobicContact CE2-CB 3.22Å; F25-P466 HydrophobicContact CE2-CG 4.1Å; F25-P466 HydrophobicContact CZ-CB 3.73Å; G75-P466 WeakPolarHBondContact O-CG 3.24Å; R80-P466 PolarHBondContact NH2-O 3.45Å
467A89.1Confident95.5Very high44 Ų4424.6 Ų24.636%0.36413%0.127SC..  trans-63.4136.216700000109.2C464C464-A467 WeakPolarHBondContact O-CA 3.45Å; C464-A467 PolarHBondContact O-N 3.16Å; C464-A467 VanDerWaalsContact O-N 3.08Å
468M92.1Very high95.5Very high3 Ų328.7 Ų28.72%0.01515%0.149CC..  trans-108.8138.5-177-160163.1-171.700109.7P77 Y78 K373 N377 F462 E472 V473 L476P77-M468 HydrophobicContact CB-CE 4.15Å; Y78-M468 HydrophobicContact CD1-CE 3.62Å; Y78-M468 HydrophobicContact CE1-CE 3.48Å; Y78-M468 VanDerWaalsContact CE1-CE 3.48Å; K373-M468 VanDerWaalsContact CE-O 3.27Å; K373-M468 WeakPolarHBondContact CE-O 3.29Å; N377-M468 PolarHBondContact ND2-O 3.17Å; N377-M468 PolarHBondContact OD1-O 3.03Å; F462-M468 HydrophobicContact CD1-SD 4.38Å; F462-M468 HydrophobicContact CE1-SD 3.78Å; M468-E472 WeakPolarHBondContact CA-OE2 3.47Å; M468-E472 VanDerWaalsContact CE-C 3.42Å; M468-E472 HydrophobicContact CE-CB 3.69Å; M468-E472 WeakPolarHBondContact CE-O 3.19Å; M468-E472 HydrophobicContact CG-CB 3.53Å; M468-E472 HydrophobicContact CG-CG 4.48Å; M468-E472 HydrophobicContact SD-CB 4.48Å; M468-V473 HydrophobicContact CE-CG2 4.46Å; M468-V473 HydrophobicContact CG-CG2 4.03Å; M468-V473 HydrophobicContact SD-CG2 4.05Å; M468-L476 HydrophobicContact CE-CB 4.15Å; M468-L476 HydrophobicContact CE-CD2 4.35Å
469K94.2Very high95.4Very high125 Ų12529.4 Ų29.454%0.54315%0.153SC..  trans-83.4159.9168.8-53.7-179.7177.3-1790110.1E471 E472 V473K469-E471 VanDerWaalsContact C-N 3.27Å; K469-E471 WeakPolarHBondContact CB-OE2 3.46Å; K469-E471 PolarHBondContact O-N 3.24Å; K469-E472 HydrophobicContact CB-CG 4.44Å; K469-E472 PolarHBondContact N-OE2 2.93Å; K469-E472 WeakPolarHBondContact O-CB 3.36Å; K469-E472 PolarHBondContact O-N 3.26Å; K469-E472 VanDerWaalsContact O-N 3.1Å; K469-V473 PolarHBondContact O-N 3.44Å
470F97.7Very high95.4Very high69 Ų6929.1 Ų29.130%0.30315%0.152SC..Hα-helixtrans-63.9-34.1-179.6-69.2-26.1000112.3K373 N377 Y380 E472 V473 D474K373-F470 VanDerWaalsContact NZ-CE1 3.3Å; N377-F470 WeakPolarHBondContact OD1-CD1 3.31Å; N377-F470 WeakPolarHBondContact OD1-CE1 3.3Å; Y380-F470 HydrophobicContact CD1-CB 4Å; Y380-F470 AromaticContact CD1-CD1 3.59Å; Y380-F470 HydrophobicContact CD1-CD1 3.59Å; Y380-F470 HydrophobicContact CD1-CE1 4.24Å; Y380-F470 AromaticContact CD1-CG 3.89Å; Y380-F470 HydrophobicContact CD1-CG 3.89Å; Y380-F470 HydrophobicContact CD2-CD1 4.21Å; Y380-F470 HydrophobicContact CD2-CD2 4.28Å; Y380-F470 HydrophobicContact CD2-CE1 4.33Å; Y380-F470 HydrophobicContact CD2-CE2 4.4Å; Y380-F470 HydrophobicContact CD2-CG 4.19Å; Y380-F470 HydrophobicContact CD2-CZ 4.43Å; Y380-F470 HydrophobicContact CE1-CB 3.62Å; Y380-F470 HydrophobicContact CE1-CD1 4.15Å; Y380-F470 AromaticContact CE1-CG 3.97Å; Y380-F470 HydrophobicContact CE1-CG 3.97Å; Y380-F470 HydrophobicContact CE2-CB 4.42Å; Y380-F470 HydrophobicContact CE2-CD2 4.29Å; Y380-F470 HydrophobicContact CE2-CG 4.26Å; Y380-F470 AromaticContact CG-CD1 3.63Å; Y380-F470 HydrophobicContact CG-CD1 3.63Å; Y380-F470 HydrophobicContact CG-CD2 4.49Å; Y380-F470 AromaticContact CG-CE1 3.83Å; Y380-F470 HydrophobicContact CG-CE1 3.83Å; Y380-F470 HydrophobicContact CG-CG 4Å; Y380-F470 HydrophobicContact CG-CZ 4.35Å; F470-E472 PolarHBondContact O-N 3.38Å; F470-V473 WeakPolarHBondContact O-CA 3.46Å; F470-V473 WeakPolarHBondContact O-CB 3.43Å; F470-V473 PolarHBondContact O-N 3.1Å; F470-D474 PolarHBondContact O-N 3.22Å
471E96.7Very high95.4Very high130 Ų13029.8 Ų29.861%0.60716%0.157SC*.Hα-helixtrans-63.8-32.3175.8-54.277.1-166.900111.7K469 A475K469-E471 VanDerWaalsContact C-N 3.27Å; K469-E471 WeakPolarHBondContact CB-OE2 3.46Å; K469-E471 PolarHBondContact O-N 3.24Å; E471-A475 VanDerWaalsContact O-CB 3.3Å; E471-A475 WeakPolarHBondContact O-CB 3.27Å; E471-A475 PolarHBondContact O-N 2.92Å
472E95.2Very high95.4Very high25 Ų2536.7 Ų36.712%0.11718%0.183CC..Hα-helixtrans-71.8-34.2174-64.1175.3112.100111R29 Y78 M468 K469 F470 A475 L476R29-E472 IonicContact CZ-OE1 3.77Å; R29-E472 IonicContact NE-OE1 2.81Å; R29-E472 PolarHBondContact NE-OE1 3.29Å; R29-E472 VanDerWaalsContact NE-OE1 3.13Å; R29-E472 IonicContact NH2-OE1 2.71Å; R29-E472 PolarHBondContact NH2-OE1 2.96Å; R29-E472 IonicContact NH2-OE2 2.86Å; R29-E472 PolarHBondContact NH2-OE2 2.86Å; R29-E472 VanDerWaalsContact NH2-OE2 3.12Å; Y78-E472 WeakPolarHBondContact CE1-O 3.29Å; M468-E472 WeakPolarHBondContact CA-OE2 3.47Å; M468-E472 VanDerWaalsContact CE-C 3.42Å; M468-E472 HydrophobicContact CE-CB 3.69Å; M468-E472 WeakPolarHBondContact CE-O 3.19Å; M468-E472 HydrophobicContact CG-CB 3.53Å; M468-E472 HydrophobicContact CG-CG 4.48Å; M468-E472 HydrophobicContact SD-CB 4.48Å; K469-E472 HydrophobicContact CB-CG 4.44Å; K469-E472 PolarHBondContact N-OE2 2.93Å; K469-E472 WeakPolarHBondContact O-CB 3.36Å; K469-E472 PolarHBondContact O-N 3.26Å; K469-E472 VanDerWaalsContact O-N 3.1Å; F470-E472 PolarHBondContact O-N 3.38Å; E472-A475 PolarHBondContact O-N 3.12Å; E472-L476 PolarHBondContact O-N 2.95Å
473V97.6Very high95.4Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-65.1-45.3174.6-179.60000110.5N377 Y380 L381 F462 M468 K469 F470 L476 I477N377-V473 HydrophobicContact CB-CG2 4.48Å; Y380-V473 HydrophobicContact CD1-CB 4.03Å; Y380-V473 HydrophobicContact CD1-CG1 3.91Å; Y380-V473 HydrophobicContact CE1-CB 4.25Å; Y380-V473 HydrophobicContact CE1-CG1 4.36Å; L381-V473 HydrophobicContact CB-CG1 3.82Å; L381-V473 HydrophobicContact CD1-CG1 3.92Å; L381-V473 HydrophobicContact CG-CG1 4.41Å; F462-V473 HydrophobicContact CE1-CG2 3.91Å; F462-V473 HydrophobicContact CZ-CG1 4.4Å; F462-V473 HydrophobicContact CZ-CG2 4.13Å; M468-V473 HydrophobicContact CE-CG2 4.46Å; M468-V473 HydrophobicContact CG-CG2 4.03Å; M468-V473 HydrophobicContact SD-CG2 4.05Å; K469-V473 PolarHBondContact O-N 3.44Å; F470-V473 WeakPolarHBondContact O-CA 3.46Å; F470-V473 WeakPolarHBondContact O-CB 3.43Å; F470-V473 PolarHBondContact O-N 3.1Å; V473-L476 WeakPolarHBondContact O-CB 3.27Å; V473-L476 PolarHBondContact O-N 3.24Å; V473-I477 WeakPolarHBondContact O-CG1 3.48Å; V473-I477 PolarHBondContact O-N 3.22Å
474D98.1Very high95.3Very high39 Ų3936.7 Ų36.721%0.20918%0.184CC..Hα-helixtrans-59.6-46.8173.1-74.6-44.1000111.1Y380 R384 F470 L476 I477 D478Y380-D474 PolarHBondContact OH-OD2 2.94Å; Y380-D474 VanDerWaalsContact OH-OD2 3.04Å; R384-D474 IonicContact CZ-OD1 3.64Å; R384-D474 IonicContact NE-OD1 2.84Å; R384-D474 PolarHBondContact NE-OD1 2.89Å; R384-D474 IonicContact NH2-OD1 3.52Å; F470-D474 PolarHBondContact O-N 3.22Å; D474-L476 PolarHBondContact O-N 3.29Å; D474-I477 WeakPolarHBondContact O-CB 3.29Å; D474-I477 PolarHBondContact O-N 3.02Å; D474-D478 PolarHBondContact O-N 3.38Å
475A96.6Very high95Very high28 Ų2843.9 Ų43.923%0.23122%0.218CC..Hα-helixtrans-63.7-27.4178.500000113.3Y78 E471 E472 T479Y78-A475 WeakPolarHBondContact OH-CB 3.38Å; E471-A475 VanDerWaalsContact O-CB 3.3Å; E471-A475 WeakPolarHBondContact O-CB 3.27Å; E471-A475 PolarHBondContact O-N 2.92Å; E472-A475 PolarHBondContact O-N 3.12Å; A475-T479 VanDerWaalsContact O-CB 3.29Å; A475-T479 WeakPolarHBondContact O-CB 3.38Å; A475-T479 PolarHBondContact O-N 3.1Å; A475-T479 PolarHBondContact O-OG1 3.42Å
476L97.2Very high94.6Very high0 Ų048.3 Ų48.30%024%0.242CC..Hα-helixtrans-66-46.8170.2177.363000111Y78 I444 V460 M468 E472 V473 D474 D478 T479 I480Y78-L476 HydrophobicContact CD1-CB 3.99Å; Y78-L476 HydrophobicContact CD1-CD1 3.74Å; Y78-L476 HydrophobicContact CD1-CG 4.35Å; Y78-L476 HydrophobicContact CE1-CB 3.83Å; Y78-L476 HydrophobicContact CE1-CD1 4.36Å; Y78-L476 HydrophobicContact CG-CD1 3.91Å; I444-L476 HydrophobicContact CD1-CD1 3.77Å; I444-L476 HydrophobicContact CD1-CG 4.48Å; V460-L476 HydrophobicContact CG1-CD2 4.44Å; V460-L476 HydrophobicContact CG2-CD2 4.45Å; M468-L476 HydrophobicContact CE-CB 4.15Å; M468-L476 HydrophobicContact CE-CD2 4.35Å; E472-L476 PolarHBondContact O-N 2.95Å; V473-L476 WeakPolarHBondContact O-CB 3.27Å; V473-L476 PolarHBondContact O-N 3.24Å; D474-L476 PolarHBondContact O-N 3.29Å; L476-D478 VanDerWaalsContact C-N 3.32Å; L476-D478 PolarHBondContact O-N 3.37Å; L476-T479 WeakPolarHBondContact O-CB 3.14Å; L476-T479 PolarHBondContact O-N 3.06Å; L476-T479 VanDerWaalsContact O-N 3.16Å; L476-I480 HydrophobicContact CD1-CD1 4.47Å; L476-I480 HydrophobicContact CG-CD1 4.27Å; L476-I480 WeakPolarHBondContact O-CG1 3.3Å; L476-I480 PolarHBondContact O-N 3.47Å
477I97.9Very high94.4Very high7 Ų751.3 Ų51.34%0.03626%0.257CS..Hα-helixtrans-58.6-46.3176.7-62.4169.3000110L381 R384 L385 F391 V473 D474 T479 I480 A481L381-I477 HydrophobicContact CD1-CD1 3.77Å; L381-I477 HydrophobicContact CD1-CG1 3.73Å; R384-I477 HydrophobicContact CB-CD1 3.46Å; R384-I477 VanDerWaalsContact CB-CD1 3.46Å; R384-I477 HydrophobicContact CG-CD1 4.27Å; L385-I477 HydrophobicContact CD2-CD1 4.4Å; L385-I477 HydrophobicContact CD2-CG1 4.26Å; F391-I477 HydrophobicContact CD2-CG2 4.4Å; F391-I477 HydrophobicContact CE2-CG2 3.54Å; F391-I477 HydrophobicContact CZ-CG2 3.69Å; V473-I477 WeakPolarHBondContact O-CG1 3.48Å; V473-I477 PolarHBondContact O-N 3.22Å; D474-I477 WeakPolarHBondContact O-CB 3.29Å; D474-I477 PolarHBondContact O-N 3.02Å; I477-T479 VanDerWaalsContact C-N 3.3Å; I477-T479 PolarHBondContact O-N 3.11Å; I477-I480 PolarHBondContact O-N 3.33Å; I477-A481 PolarHBondContact O-N 3.12Å
478D96.8Very high94.6Very high87 Ų8751.7 Ų51.747%0.46525%0.252SS..Hα-helixtrans-63.8-35.7177.1-70.8-19000112.4D474 L476 R482D474-D478 PolarHBondContact O-N 3.38Å; L476-D478 VanDerWaalsContact C-N 3.32Å; L476-D478 PolarHBondContact O-N 3.37Å; D478-R482 VanDerWaalsContact O-CB 3.27Å; D478-R482 WeakPolarHBondContact O-CB 3.43Å; D478-R482 VanDerWaalsContact O-CG 3.27Å; D478-R482 WeakPolarHBondContact O-CG 3.32Å; D478-R482 PolarHBondContact O-N 2.7Å; D478-R482 PolarHBondContact O-NE 3.13Å
479T96.2Very high94.8Very high14 Ų1454.3 Ų54.39%0.08626%0.264CS..Hα-helixtrans-66.5-40.9176.4-64.10000111.4K441 A475 L476 I477 T483K441-T479 HydrophobicContact CB-CG2 4.09Å; A475-T479 VanDerWaalsContact O-CB 3.29Å; A475-T479 WeakPolarHBondContact O-CB 3.38Å; A475-T479 PolarHBondContact O-N 3.1Å; A475-T479 PolarHBondContact O-OG1 3.42Å; L476-T479 WeakPolarHBondContact O-CB 3.14Å; L476-T479 PolarHBondContact O-N 3.06Å; L476-T479 VanDerWaalsContact O-N 3.16Å; I477-T479 VanDerWaalsContact C-N 3.3Å; I477-T479 PolarHBondContact O-N 3.11Å; T479-T483 PolarHBondContact O-OG1 3.36Å; T479-T483 VanDerWaalsContact O-N 3.1Å; T479-T483 PolarHBondContact O-N 3.3Å; T479-T483 WeakPolarHBondContact O-CB 3.39Å; T479-T483 VanDerWaalsContact O-CB 3.27Å
480I97.5Very high94.8Very high2 Ų250.3 Ų50.31%0.0125%0.249CC..Hα-helixtrans-63.1-51.8174.5-63.8165000109.6F391 F405 F407 L432 M436 I444 L476 I477 R482 T483 A484F391-I480 HydrophobicContact CE1-CB 4.43Å; F391-I480 HydrophobicContact CE1-CG2 3.88Å; F391-I480 HydrophobicContact CZ-CB 4.46Å; F391-I480 HydrophobicContact CZ-CG2 4.26Å; F405-I480 HydrophobicContact CE2-CD1 4.2Å; F405-I480 HydrophobicContact CZ-CD1 3.88Å; F407-I480 HydrophobicContact CD2-CG2 4.29Å; L432-I480 HydrophobicContact CD2-CG2 3.59Å; L432-I480 HydrophobicContact CG-CG2 4.49Å; M436-I480 HydrophobicContact SD-CG1 3.99Å; I444-I480 HydrophobicContact CD1-CD1 3.7Å; I444-I480 HydrophobicContact CD1-CG1 3.93Å; L476-I480 HydrophobicContact CD1-CD1 4.47Å; L476-I480 HydrophobicContact CG-CD1 4.27Å; L476-I480 WeakPolarHBondContact O-CG1 3.3Å; L476-I480 PolarHBondContact O-N 3.47Å; I477-I480 PolarHBondContact O-N 3.33Å; I480-R482 PolarHBondContact O-N 3.11Å; I480-T483 PolarHBondContact O-N 3.2Å; I480-A484 PolarHBondContact O-N 3.13Å
481A96Very high94.6Very high13 Ų1349.2 Ų49.211%0.10725%0.246CC..Hα-helixtrans-61.8-46.4-177.800000113F391 F407 I477 T483 A484F391-A481 HydrophobicContact CZ-CB 4.46Å; F407-A481 HydrophobicContact CE2-CB 4.39Å; I477-A481 PolarHBondContact O-N 3.12Å; A481-T483 VanDerWaalsContact C-N 3.32Å; A481-T483 PolarHBondContact O-N 3.1Å; A481-A484 PolarHBondContact O-N 2.93Å
482R95.2Very high94.5Very high146 Ų14644.2 Ų44.255%0.55122%0.223SC*.Hα-helixtrans-65.8-33.6178.3-73.9-177.2-65.2-171.20.5112.9D478 I480 A484D478-R482 VanDerWaalsContact O-CB 3.27Å; D478-R482 WeakPolarHBondContact O-CB 3.43Å; D478-R482 VanDerWaalsContact O-CG 3.27Å; D478-R482 WeakPolarHBondContact O-CG 3.32Å; D478-R482 PolarHBondContact O-N 2.7Å; D478-R482 PolarHBondContact O-NE 3.13Å; I480-R482 PolarHBondContact O-N 3.11Å; R482-A484 PolarHBondContact O-N 2.79Å
483T95.3Very high94.4Very high2 Ų245.5 Ų45.51%0.01223%0.23CC..Hα-helixtrans-71.5-21.1179.1-56.80000111.9L432 K435 M436 K441 T479 I480 A481L432-T483 HydrophobicContact CD1-CG2 3.69Å; K435-T483 HydrophobicContact CB-CG2 4.21Å; K435-T483 HydrophobicContact CD-CG2 3.76Å; K435-T483 HydrophobicContact CG-CG2 3.76Å; K435-T483 PolarHBondContact NZ-O 2.98Å; M436-T483 HydrophobicContact CG-CG2 3.84Å; K441-T483 WeakPolarHBondContact CD-OG1 3.3Å; T479-T483 PolarHBondContact O-OG1 3.36Å; T479-T483 VanDerWaalsContact O-N 3.1Å; T479-T483 PolarHBondContact O-N 3.3Å; T479-T483 WeakPolarHBondContact O-CB 3.39Å; T479-T483 VanDerWaalsContact O-CB 3.27Å; I480-T483 PolarHBondContact O-N 3.2Å; A481-T483 VanDerWaalsContact C-N 3.32Å; A481-T483 PolarHBondContact O-N 3.1Å
484A94Very high94.2Very high5 Ų548.7 Ų48.74%0.04125%0.246CC..THydrogen-bonded Turntrans-951.4-179.700000115F407 L432 I480 A481 R482 D486 L487F407-A484 HydrophobicContact CD1-CB 4.02Å; F407-A484 HydrophobicContact CE1-CB 3.33Å; F407-A484 HydrophobicContact CE2-CB 4.21Å; F407-A484 HydrophobicContact CZ-CB 3.44Å; F407-A484 VanDerWaalsContact CZ-CB 3.44Å; L432-A484 HydrophobicContact CD1-CB 3.85Å; L432-A484 HydrophobicContact CD2-CB 3.86Å; L432-A484 HydrophobicContact CG-CB 4.46Å; I480-A484 PolarHBondContact O-N 3.13Å; A481-A484 PolarHBondContact O-N 2.93Å; R482-A484 PolarHBondContact O-N 2.79Å; A484-D486 PolarHBondContact O-N 3.04Å; A484-L487 PolarHBondContact O-N 2.95Å; A484-L487 VanDerWaalsContact O-N 3.11Å
485E88.6Confident93.9Very high153 Ų15349.5 Ų49.572%0.71525%0.249SC*.THydrogen-bonded Turntrans-58.3-22.4-175.5-76.6174.3-175.700114.4
486D85Confident93.7Very high112 Ų11251.3 Ų51.360%0.59925%0.251SS*.THydrogen-bonded Turntrans-107.911.1-17964.3-25.6000114.2K435 A484K435-D486 IonicContact NZ-OD1 3.23Å; K435-D486 PolarHBondContact NZ-OD1 3.21Å; K435-D486 IonicContact NZ-OD2 3.18Å; K435-D486 PolarHBondContact NZ-OD2 2.84Å; A484-D486 PolarHBondContact O-N 3.04Å
487L84.8Confident93.4Very high74 Ų7455.9 Ų55.939%0.38727%0.274SS..  trans-1080-175.6-65.8-178.8000115.2V428 A431 L432 A484V428-L487 HydrophobicContact CG1-CB 4.36Å; A431-L487 HydrophobicContact CB-CD1 4.37Å; L432-L487 HydrophobicContact CB-CD1 4Å; L432-L487 HydrophobicContact CD1-CD1 4.27Å; A484-L487 PolarHBondContact O-N 2.95Å; A484-L487 VanDerWaalsContact O-N 3.11Å

Retrieved 487 of 487 residues in 478.2 ms (Link to these results)

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