A0A3Q0KG63_SCHMA Loading...

Putative rhodopsin-like orphan GPCR

AlphaFold DB , UniProt , Accession A0A3Q0KG63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 563 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
1M31.8Very low53.5Low240 Ų240130.7 Ų130.7100%1.18264%0.638SS**  098.60-79174.7165.100108.1R3M1-R3 PolarHBondContact O-N 3.36Å
2Q35.5Very low55.3Low184 Ų184123.3 Ų123.386%0.8661%0.608SS**  trans-67118.3173.8-80.2171.2-2500108P4Q2-P4 VanDerWaalsContact O-CD 3.22Å; Q2-P4 WeakPolarHBondContact O-CD 3.28Å
3R37Very low56.7Low192 Ų192120.8 Ų120.873%0.72559%0.594SS**  trans-64.5118.7-172.9-78.3-175.2-1721722.9110.9M1 E5M1-R3 PolarHBondContact O-N 3.36Å; R3-E5 PolarHBondContact O-N 3.26Å
4P43.6Very low57.7Low106 Ų106114 Ų11469%0.68856%0.558SS**G310 helixtrans-68.4-3.9168.425.9-31.1000113.8Q2 F6Q2-P4 VanDerWaalsContact O-CD 3.22Å; Q2-P4 WeakPolarHBondContact O-CD 3.28Å; P4-F6 PolarHBondContact O-N 3.48Å
5E51.9Low58.8Low135 Ų135106.9 Ų106.963%0.63152%0.524SS*.G310 helixtrans-71.7-25-179.2-69.3178.4162.500114.3R3 H7 N8R3-E5 PolarHBondContact O-N 3.26Å; E5-H7 PolarHBondContact O-N 3.22Å; E5-N8 PolarHBondContact O-N 3.06Å
6F51.1Low59.8Low103 Ų103106.7 Ų106.745%0.45252%0.519SS..G310 helixtrans-74.1-25.8-174.1-127.8-87.2000113.8P4 L9 R14 I17P4-F6 PolarHBondContact O-N 3.48Å; F6-L9 HydrophobicContact CD1-CD1 4.32Å; F6-L9 HydrophobicContact CD2-CD1 4.5Å; F6-L9 HydrophobicContact CG-CD1 4.32Å; F6-R14 HydrophobicContact CD1-CG 4.47Å; F6-R14 HydrophobicContact CE1-CG 4.33Å; F6-I17 HydrophobicContact CZ-CG2 4.2Å
7H55.1Low60.5Low162 Ų162103.6 Ų103.675%0.7551%0.505SS*.G310 helixtrans-75.4-24179-81.9-75.1000113.2E5E5-H7 PolarHBondContact O-N 3.22Å
8N67.4Low61.1Low149 Ų14998.5 Ų98.580%0.79748%0.48SS*.G310 helixtrans-83.6-10.5-179.6-74.1-9.7000113.8E5E5-N8 PolarHBondContact O-N 3.06Å
9L69.5Low61.8Low47 Ų4793.3 Ų93.325%0.24645%0.454CS..SBendtrans-73139.6177.1-68.6164.7000111.1F6 E13 R14 I17F6-L9 HydrophobicContact CD1-CD1 4.32Å; F6-L9 HydrophobicContact CD2-CD1 4.5Å; F6-L9 HydrophobicContact CG-CD1 4.32Å; L9-E13 HydrophobicContact CB-CB 4.31Å; L9-E13 HydrophobicContact CD2-CB 4.08Å; L9-R14 HydrophobicContact CB-CG 3.63Å; L9-R14 HydrophobicContact CD1-CG 4.24Å; L9-R14 PolarHBondContact O-NE 3.38Å; L9-I17 HydrophobicContact CD1-CD1 3.7Å
10S74.3Confident62.3Low55 Ų5595.1 Ų95.139%0.38546%0.459SS..  trans-62.3155.7171.565.30000111.4C12 E13 R14S10-C12 PolarHBondContact O-N 3.03Å; S10-E13 WeakPolarHBondContact CB-OE2 3.46Å; S10-E13 PolarHBondContact N-OE2 3.36Å; S10-E13 PolarHBondContact O-N 3.44Å; S10-E13 VanDerWaalsContact O-N 3.12Å; S10-E13 WeakPolarHBondContact OG-CB 3.45Å; S10-E13 WeakPolarHBondContact OG-CG 3.45Å; S10-E13 PolarHBondContact OG-N 3.08Å; S10-E13 PolarHBondContact OG-OE2 2.88Å; S10-R14 PolarHBondContact O-N 3.38Å; S10-R14 VanDerWaalsContact O-N 3.09Å
11H71.8Confident62.5Low65 Ų6595.1 Ų95.130%0.30146%0.459SS..Hα-helixtrans-52.6-41175.3-72.7-83.2000112.2R14 E15 S71 W306H11-R14 PolarHBondContact CE1-NH2 3.41Å; H11-R14 VanDerWaalsContact CE1-NH2 3.3Å; H11-R14 PolarHBondContact ND1-NH2 3.01Å; H11-R14 PolarHBondContact O-N 3.17Å; H11-E15 PolarHBondContact O-N 3.26Å; H11-E15 VanDerWaalsContact O-N 3.13Å; H11-S71 PolarHBondContact CE1-O 3.35Å; H11-S71 PolarHBondContact ND1-O 3.48Å; H11-W306 HydrophobicContact CB-CB 4.18Å; H11-W306 HydrophobicContact CB-CG 4.12Å
12C74.5Confident64.1Low41 Ų4184.7 Ų84.728%0.27741%0.407SS..Hα-helixtrans-69.9-35.8179.8-53.20000113.1S10 K16 C304S10-C12 PolarHBondContact O-N 3.03Å; C12-K16 WeakPolarHBondContact O-CG 3.38Å; C12-K16 PolarHBondContact O-N 2.97Å; C12-C304 HydrophobicContact CB-CB 3.32Å; C12-C304 WeakPolarHBondContact CB-SG 3.45Å; C12-C304 WeakPolarHBondContact SG-CB 3.24Å; C12-C304 CovalentContact SG-SG 2.05Å; C12-C304 PolarHBondContact SG-SG 3.34Å
13E73.8Confident65.5Low92 Ų9277.3 Ų77.343%0.4337%0.373SS..Hα-helixtrans-67.5-40.6175.1-75.5163.4146.800111.7L9 S10 E15 K16 I17L9-E13 HydrophobicContact CB-CB 4.31Å; L9-E13 HydrophobicContact CD2-CB 4.08Å; S10-E13 WeakPolarHBondContact CB-OE2 3.46Å; S10-E13 PolarHBondContact N-OE2 3.36Å; S10-E13 PolarHBondContact O-N 3.44Å; S10-E13 VanDerWaalsContact O-N 3.12Å; S10-E13 WeakPolarHBondContact OG-CB 3.45Å; S10-E13 WeakPolarHBondContact OG-CG 3.45Å; S10-E13 PolarHBondContact OG-N 3.08Å; S10-E13 PolarHBondContact OG-OE2 2.88Å; E13-E15 VanDerWaalsContact C-N 3.32Å; E13-E15 PolarHBondContact O-N 3.26Å; E13-K16 PolarHBondContact O-N 3.48Å; E13-I17 WeakPolarHBondContact O-CG1 3.47Å; E13-I17 PolarHBondContact O-N 2.83Å
14R71.1Confident66.6Low25 Ų2571.5 Ų71.59%0.09436%0.362CS..Hα-helixtrans-63.3-38.3177-67.8-175.3-68.8-151.70.3112.2F6 L9 S10 H11 I17 F18 S71 T72F6-R14 HydrophobicContact CD1-CG 4.47Å; F6-R14 HydrophobicContact CE1-CG 4.33Å; L9-R14 HydrophobicContact CB-CG 3.63Å; L9-R14 HydrophobicContact CD1-CG 4.24Å; L9-R14 PolarHBondContact O-NE 3.38Å; S10-R14 PolarHBondContact O-N 3.38Å; S10-R14 VanDerWaalsContact O-N 3.09Å; H11-R14 PolarHBondContact CE1-NH2 3.41Å; H11-R14 VanDerWaalsContact CE1-NH2 3.3Å; H11-R14 PolarHBondContact ND1-NH2 3.01Å; H11-R14 PolarHBondContact O-N 3.17Å; R14-I17 PolarHBondContact O-N 2.9Å; R14-F18 PolarHBondContact O-N 3.48Å; R14-S71 WeakPolarHBondContact CD-OG 2.84Å; R14-S71 PolarHBondContact NE-OG 3.28Å; R14-T72 HydrophobicContact CB-CG2 3.83Å
15E74.2Confident67.5Low8 Ų869.1 Ų69.14%0.03735%0.346CS..Hα-helixtrans-63.8-41.8173.8-175.1-175.9161.500112.4H11 E13 F18 I19 T72 W188 C304 L305H11-E15 PolarHBondContact O-N 3.26Å; H11-E15 VanDerWaalsContact O-N 3.13Å; E13-E15 VanDerWaalsContact C-N 3.32Å; E13-E15 PolarHBondContact O-N 3.26Å; E15-F18 WeakPolarHBondContact O-CB 3.32Å; E15-F18 PolarHBondContact O-N 2.94Å; E15-I19 HydrophobicContact CG-CD1 3.97Å; E15-I19 WeakPolarHBondContact O-CG1 3.41Å; E15-I19 PolarHBondContact O-N 3.16Å; E15-T72 HydrophobicContact CB-CG2 4Å; E15-W188 PolarHBondContact OE1-NE1 3.01Å; E15-C304 WeakPolarHBondContact OE2-CA 3.06Å; E15-C304 WeakPolarHBondContact OE2-CB 3.47Å; E15-L305 WeakPolarHBondContact OE1-CB 3.32Å; E15-L305 PolarHBondContact OE1-N 3.48Å; E15-L305 WeakPolarHBondContact OE2-CB 3.35Å; E15-L305 PolarHBondContact OE2-N 3.3Å
16K74.5Confident67.5Low103 Ų10371.7 Ų71.745%0.44836%0.358SS..Hα-helixtrans-63.3-42.7176.8-73.6179.3179.7-178.20112.3C12 E13 F18 I19 K20C12-K16 WeakPolarHBondContact O-CG 3.38Å; C12-K16 PolarHBondContact O-N 2.97Å; E13-K16 PolarHBondContact O-N 3.48Å; K16-F18 VanDerWaalsContact C-N 3.31Å; K16-I19 PolarHBondContact O-N 2.95Å; K16-K20 PolarHBondContact O-N 3.49Å
17I71.1Confident67.6Low55 Ų5569.3 Ų69.328%0.28235%0.354SS..Hα-helixtrans-60.7-44.5176.1-67.9166.1000110F6 L9 E13 R14 K20 H21F6-I17 HydrophobicContact CZ-CG2 4.2Å; L9-I17 HydrophobicContact CD1-CD1 3.7Å; E13-I17 WeakPolarHBondContact O-CG1 3.47Å; E13-I17 PolarHBondContact O-N 2.83Å; R14-I17 PolarHBondContact O-N 2.9Å; I17-K20 PolarHBondContact O-N 3.29Å; I17-H21 PolarHBondContact O-CD2 3.38Å; I17-H21 PolarHBondContact O-N 3.22Å; I17-H21 VanDerWaalsContact O-N 3.08Å
18F72.6Confident67.8Low11 Ų1167.4 Ų67.45%0.04835%0.354CS..Hα-helixtrans-55.9-53.6175.3161.6-116.1000112.6R14 E15 K16 K20 H21 F22 F32 Y67 W188 L284R14-F18 PolarHBondContact O-N 3.48Å; E15-F18 WeakPolarHBondContact O-CB 3.32Å; E15-F18 PolarHBondContact O-N 2.94Å; K16-F18 VanDerWaalsContact C-N 3.31Å; F18-K20 VanDerWaalsContact C-N 3.26Å; F18-K20 PolarHBondContact O-N 3.15Å; F18-H21 PolarHBondContact O-N 3.47Å; F18-H21 VanDerWaalsContact O-N 3.12Å; F18-F22 HydrophobicContact CE2-CB 4.27Å; F18-F22 HydrophobicContact CZ-CB 4.43Å; F18-F22 HydrophobicContact CZ-CD2 4.44Å; F18-F22 PolarHBondContact O-N 3.17Å; F18-F32 HydrophobicContact CZ-CE1 4.06Å; F18-F32 HydrophobicContact CZ-CZ 4.08Å; F18-Y67 WeakPolarHBondContact CB-OH 2.97Å; F18-Y67 HydrophobicContact CD1-CE1 4.3Å; F18-Y67 HydrophobicContact CD2-CD1 4.01Å; F18-Y67 AromaticContact CD2-CD2 3.77Å; F18-Y67 HydrophobicContact CD2-CD2 3.77Å; F18-Y67 AromaticContact CD2-CE1 3.39Å; F18-Y67 HydrophobicContact CD2-CE1 3.39Å; F18-Y67 AromaticContact CD2-CE2 3.12Å; F18-Y67 HydrophobicContact CD2-CE2 3.12Å; F18-Y67 HydrophobicContact CD2-CG 4.18Å; F18-Y67 AromaticContact CD2-CZ 2.88Å; F18-Y67 WeakPolarHBondContact CD2-OH 3.04Å; F18-Y67 HydrophobicContact CE1-CE1 4.18Å; F18-Y67 AromaticContact CE2-CD1 3.36Å; F18-Y67 HydrophobicContact CE2-CD1 3.36Å; F18-Y67 AromaticContact CE2-CD2 3.62Å; F18-Y67 HydrophobicContact CE2-CD2 3.62Å; F18-Y67 AromaticContact CE2-CE1 3.15Å; F18-Y67 HydrophobicContact CE2-CE1 3.15Å; F18-Y67 AromaticContact CE2-CE2 3.45Å; F18-Y67 HydrophobicContact CE2-CE2 3.45Å; F18-Y67 VanDerWaalsContact CE2-CE2 3.45Å; F18-Y67 AromaticContact CE2-CG 3.58Å; F18-Y67 HydrophobicContact CE2-CG 3.58Å; F18-Y67 AromaticContact CE2-CZ 3.2Å; F18-Y67 AromaticContact CG-CE1 3.92Å; F18-Y67 HydrophobicContact CG-CE1 3.92Å; F18-Y67 HydrophobicContact CG-CE2 4.05Å; F18-Y67 AromaticContact CG-CZ 3.43Å; F18-Y67 VanDerWaalsContact CG-CZ 3.43Å; F18-Y67 WeakPolarHBondContact CG-OH 3.45Å; F18-Y67 AromaticContact CZ-CD1 3.81Å; F18-Y67 HydrophobicContact CZ-CD1 3.81Å; F18-Y67 AromaticContact CZ-CE1 3.59Å; F18-Y67 HydrophobicContact CZ-CE1 3.59Å; F18-Y67 HydrophobicContact CZ-CG 4.4Å; F18-W188 HydrophobicContact CD1-CH2 4.45Å; F18-W188 HydrophobicContact CD1-CZ2 4.09Å; F18-W188 AromaticContact CE1-CH2 3.5Å; F18-W188 HydrophobicContact CE1-CH2 3.5Å; F18-W188 VanDerWaalsContact CE1-CH2 3.5Å; F18-W188 AromaticContact CE1-CZ2 3.54Å; F18-W188 HydrophobicContact CE1-CZ2 3.54Å; F18-W188 HydrophobicContact CZ-CH2 4.19Å; F18-L284 HydrophobicContact CE1-CD1 4.47Å; F18-L284 HydrophobicContact CZ-CD1 4.46Å
19I73.7Confident67.7Low0 Ų064 Ų640%034%0.336CS..Hα-helixtrans-60.9-39.8-177.2-66.5160.4000110.3E15 K16 H21 F22 L23 Y187 L284 L293E15-I19 HydrophobicContact CG-CD1 3.97Å; E15-I19 WeakPolarHBondContact O-CG1 3.41Å; E15-I19 PolarHBondContact O-N 3.16Å; K16-I19 PolarHBondContact O-N 2.95Å; I19-H21 PolarHBondContact O-N 3.05Å; I19-F22 WeakPolarHBondContact O-CB 3.05Å; I19-F22 PolarHBondContact O-N 3.23Å; I19-L23 HydrophobicContact CG2-CD1 4.24Å; I19-L23 HydrophobicContact CG2-CG 4.37Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.11Å; I19-Y187 HydrophobicContact CD1-CD2 3.51Å; I19-Y187 HydrophobicContact CD1-CE2 4.44Å; I19-Y187 HydrophobicContact CD1-CG 3.83Å; I19-Y187 HydrophobicContact CG2-CG 4.38Å; I19-L284 HydrophobicContact CG1-CD2 4.33Å; I19-L293 HydrophobicContact CG2-CD2 4.4Å
20K71Confident68Low128 Ų12862.8 Ų62.856%0.55733%0.331SS*.Hα-helixtrans-60.5-44.2176.3-172.4176.9-180178.50112.3K16 I17 F18 L293K16-K20 PolarHBondContact O-N 3.49Å; I17-K20 PolarHBondContact O-N 3.29Å; F18-K20 VanDerWaalsContact C-N 3.26Å; F18-K20 PolarHBondContact O-N 3.15Å; K20-L293 HydrophobicContact CB-CD1 4.15Å; K20-L293 HydrophobicContact CG-CD1 4.26Å
21H67Low68.4Low96 Ų9661.5 Ų61.544%0.44432%0.319SS..Hα-helixtrans-64.7-41.8174.4-84.3-71.8000111.9I17 F18 I19 L23 S24I17-H21 PolarHBondContact O-CD2 3.38Å; I17-H21 PolarHBondContact O-N 3.22Å; I17-H21 VanDerWaalsContact O-N 3.08Å; F18-H21 PolarHBondContact O-N 3.47Å; F18-H21 VanDerWaalsContact O-N 3.12Å; I19-H21 PolarHBondContact O-N 3.05Å; H21-L23 PolarHBondContact O-N 3.39Å; H21-S24 PolarHBondContact O-N 2.99Å; H21-S24 PolarHBondContact O-OG 3.43Å
22F65.4Low69.2Low21 Ų2158.5 Ų58.59%0.09231%0.305CS..Hα-helixtrans-57.7-48.6178.4177.7-88.4000112.5F18 I19 S24 T25 P30 F32 I64 L284F18-F22 HydrophobicContact CE2-CB 4.27Å; F18-F22 HydrophobicContact CZ-CB 4.43Å; F18-F22 HydrophobicContact CZ-CD2 4.44Å; F18-F22 PolarHBondContact O-N 3.17Å; I19-F22 WeakPolarHBondContact O-CB 3.05Å; I19-F22 PolarHBondContact O-N 3.23Å; F22-S24 PolarHBondContact O-N 2.92Å; F22-T25 PolarHBondContact O-N 3.36Å; F22-T25 VanDerWaalsContact O-N 3.08Å; F22-T25 PolarHBondContact O-OG1 2.97Å; F22-P30 HydrophobicContact CE2-CG 3.5Å; F22-P30 HydrophobicContact CZ-CG 3.6Å; F22-F32 HydrophobicContact CD2-CZ 4.04Å; F22-F32 HydrophobicContact CE2-CE2 4.08Å; F22-F32 AromaticContact CE2-CZ 3.79Å; F22-F32 HydrophobicContact CE2-CZ 3.79Å; F22-I64 HydrophobicContact CD2-CD1 3.81Å; F22-I64 HydrophobicContact CD2-CG1 3.74Å; F22-I64 HydrophobicContact CE2-CB 4.47Å; F22-I64 HydrophobicContact CE2-CD1 3.33Å; F22-I64 HydrophobicContact CE2-CG1 3.61Å; F22-I64 HydrophobicContact CE2-CG2 4.04Å; F22-I64 HydrophobicContact CZ-CD1 3.99Å; F22-L284 HydrophobicContact CB-CD1 4.31Å; F22-L284 HydrophobicContact CD1-CD1 3.22Å; F22-L284 HydrophobicContact CD2-CD1 3.68Å; F22-L284 HydrophobicContact CE1-CB 4.31Å; F22-L284 HydrophobicContact CE1-CD1 3.29Å; F22-L284 HydrophobicContact CE1-CG 4.42Å; F22-L284 HydrophobicContact CE2-CD1 3.75Å; F22-L284 HydrophobicContact CG-CD1 3.42Å; F22-L284 VanDerWaalsContact CG-CD1 3.42Å; F22-L284 HydrophobicContact CZ-CD1 3.57Å
23L64.7Low69.9Low29 Ų2956.6 Ų56.615%0.15229%0.292CS..Hα-helixtrans-62-29.1-177.1-64.4171.6000113.5I19 H21 T25 Q26 I288 L293I19-L23 HydrophobicContact CG2-CD1 4.24Å; I19-L23 HydrophobicContact CG2-CG 4.37Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.11Å; H21-L23 PolarHBondContact O-N 3.39Å; L23-T25 PolarHBondContact O-N 2.92Å; L23-Q26 PolarHBondContact O-N 3.17Å; L23-I288 HydrophobicContact CD1-CB 4.36Å; L23-I288 HydrophobicContact CD1-CG2 3.37Å; L23-I288 HydrophobicContact CD2-CB 3.62Å; L23-I288 HydrophobicContact CD2-CD1 4.42Å; L23-I288 HydrophobicContact CD2-CG2 3.57Å; L23-I288 HydrophobicContact CG-CG2 4.02Å; L23-L293 HydrophobicContact CD1-CD1 3.4Å; L23-L293 VanDerWaalsContact CD1-CD1 3.4Å; L23-L293 HydrophobicContact CD1-CG 4.17Å
24S60.3Low70.7Confident71 Ų7152.2 Ų52.250%0.49727%0.272SS..THydrogen-bonded Turntrans-65.1-16.6178.370.70000113.7H21 F22H21-S24 PolarHBondContact O-N 2.99Å; H21-S24 PolarHBondContact O-OG 3.43Å; F22-S24 PolarHBondContact O-N 2.92Å
25T61.8Low71.5Confident55 Ų5551.1 Ų51.134%0.33727%0.267SS..THydrogen-bonded Turntrans-97.41.4-176.461.50000114.8F22 L23 S27 I64F22-T25 PolarHBondContact O-N 3.36Å; F22-T25 VanDerWaalsContact O-N 3.08Å; F22-T25 PolarHBondContact O-OG1 2.97Å; L23-T25 PolarHBondContact O-N 2.92Å; T25-S27 VanDerWaalsContact C-N 3.31Å; T25-S27 PolarHBondContact O-N 3.27Å; T25-I64 WeakPolarHBondContact OG1-CD1 3.33Å
26Q53.2Low72Confident190 Ų19053.8 Ų53.889%0.88828%0.282SS*.  trans38.946174.8-67.3-163.7-1.700116.8L23L23-Q26 PolarHBondContact O-N 3.17Å
27S52.9Low72.5Confident53 Ų5351 Ų5137%0.37128%0.275SS..  trans-98.2154-177.6175.10000113.9T25T25-S27 VanDerWaalsContact C-N 3.31Å; T25-S27 PolarHBondContact O-N 3.27Å
28T58.9Low73.3Confident121 Ų12153.7 Ų53.774%0.74229%0.287SS*.  trans-47145.2167.454.30000112.2P30T28-P30 WeakPolarHBondContact O-CD 3.08Å; T28-P30 WeakPolarHBondContact O-CG 3.42Å
29N65.8Low74Confident79 Ų7957.2 Ų57.242%0.42231%0.309SS..  trans-45.691.9177.6-75.54.8000112.5
30P75.1Confident74.7Confident21 Ų2157.2 Ų57.214%0.13631%0.309CS..  trans-85.7149.7-178.721.1-4.5000108.2F22 T28 F32 I64F22-P30 HydrophobicContact CE2-CG 3.5Å; F22-P30 HydrophobicContact CZ-CG 3.6Å; T28-P30 WeakPolarHBondContact O-CD 3.08Å; T28-P30 WeakPolarHBondContact O-CG 3.42Å; P30-F32 HydrophobicContact CB-CE2 4.16Å; P30-F32 HydrophobicContact CB-CZ 4.37Å; P30-F32 HydrophobicContact CG-CE2 3.74Å; P30-F32 HydrophobicContact CG-CZ 3.96Å; P30-F32 WeakPolarHBondContact O-CD2 3.48Å; P30-F32 WeakPolarHBondContact O-CE2 3.26Å; P30-I64 HydrophobicContact CB-CG2 3.66Å; P30-I64 HydrophobicContact CG-CG2 3.47Å; P30-I64 VanDerWaalsContact CG-CG2 3.47Å
31I84Confident75.4Confident28 Ų2853.7 Ų53.714%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-91.9135.6-178.7-64.6171.8000108.4S77 A191 Y195I31-S77 WeakPolarHBondContact O-CB 3.25Å; I31-S77 PolarHBondContact O-N 2.95Å; I31-A191 HydrophobicContact CG2-CB 4.5Å; I31-Y195 HydrophobicContact CD1-CD2 4.1Å; I31-Y195 HydrophobicContact CD1-CE1 4.06Å; I31-Y195 HydrophobicContact CD1-CE2 3.22Å; I31-Y195 WeakPolarHBondContact CD1-OH 3.22Å; I31-Y195 HydrophobicContact CG2-CD1 4.47Å; I31-Y195 HydrophobicContact CG2-CE1 4.02Å
32F87.8Confident76.4Confident1 Ų153.6 Ų53.60%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-120.8157.9177.3-62.3-88.9000109.6F18 F22 P30 I64 Y67 V74 I75 W188 P281 I282 L284F18-F32 HydrophobicContact CZ-CE1 4.06Å; F18-F32 HydrophobicContact CZ-CZ 4.08Å; F22-F32 HydrophobicContact CD2-CZ 4.04Å; F22-F32 HydrophobicContact CE2-CE2 4.08Å; F22-F32 AromaticContact CE2-CZ 3.79Å; F22-F32 HydrophobicContact CE2-CZ 3.79Å; P30-F32 HydrophobicContact CB-CE2 4.16Å; P30-F32 HydrophobicContact CB-CZ 4.37Å; P30-F32 HydrophobicContact CG-CE2 3.74Å; P30-F32 HydrophobicContact CG-CZ 3.96Å; P30-F32 WeakPolarHBondContact O-CD2 3.48Å; P30-F32 WeakPolarHBondContact O-CE2 3.26Å; F32-I64 HydrophobicContact CZ-CG2 4.12Å; F32-Y67 HydrophobicContact CD1-CD1 4.44Å; F32-Y67 HydrophobicContact CE1-CD1 4.1Å; F32-V74 HydrophobicContact CB-CG1 3.85Å; F32-V74 HydrophobicContact CD1-CG1 4.08Å; F32-V74 HydrophobicContact CG-CG1 4.23Å; F32-I75 CarbonylContact C-O 3.56Å; F32-I75 WeakPolarHBondContact CA-O 3.33Å; F32-W188 HydrophobicContact CB-CH2 4.44Å; F32-W188 HydrophobicContact CB-CZ3 4.09Å; F32-W188 HydrophobicContact CD2-CH2 4.24Å; F32-W188 AromaticContact CD2-CZ3 3.76Å; F32-W188 HydrophobicContact CD2-CZ3 3.76Å; F32-W188 HydrophobicContact CE2-CZ3 4.46Å; F32-W188 HydrophobicContact CG-CH2 4.28Å; F32-W188 HydrophobicContact CG-CZ3 4.07Å; F32-P281 WeakPolarHBondContact O-CA 3.49Å; F32-I282 HydrophobicContact CB-CG1 4.02Å; F32-I282 PolarHBondContact N-O 2.95Å; F32-I282 PolarHBondContact O-N 3.24Å; F32-L284 HydrophobicContact CE2-CD1 3.94Å; F32-L284 HydrophobicContact CE2-CG 4.29Å; F32-L284 HydrophobicContact CZ-CD1 4.46Å
33Y89.8Confident77.3Confident2 Ų252.6 Ų52.61%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-117120.7172.8-67.7-79.4000109.5V74 I75 S77 L80 Y195 F279 Q280 P281 I315 M317Y33-V74 WeakPolarHBondContact O-CA 3.14Å; Y33-I75 PolarHBondContact N-O 2.92Å; Y33-I75 WeakPolarHBondContact O-CG2 3.49Å; Y33-I75 PolarHBondContact O-N 2.7Å; Y33-S77 WeakPolarHBondContact CE2-OG 3.32Å; Y33-L80 HydrophobicContact CD1-CD2 4.41Å; Y33-L80 HydrophobicContact CD2-CB 4.23Å; Y33-L80 HydrophobicContact CD2-CD2 3.47Å; Y33-L80 VanDerWaalsContact CD2-CD2 3.47Å; Y33-L80 HydrophobicContact CD2-CG 4.42Å; Y33-L80 HydrophobicContact CE2-CD2 4.14Å; Y33-L80 HydrophobicContact CG-CD2 3.61Å; Y33-Y195 WeakPolarHBondContact OH-CE1 3.25Å; Y33-F279 HydrophobicContact CD1-CB 3.88Å; Y33-F279 HydrophobicContact CG-CB 4.37Å; Y33-Q280 WeakPolarHBondContact CA-O 3.33Å; Y33-P281 HydrophobicContact CD1-CB 3.98Å; Y33-P281 HydrophobicContact CE1-CB 3.74Å; Y33-I315 HydrophobicContact CD1-CD1 4.5Å; Y33-I315 HydrophobicContact CE1-CD1 3.68Å; Y33-I315 HydrophobicContact CE1-CG1 4.49Å; Y33-M317 HydrophobicContact CD1-SD 4.16Å; Y33-M317 HydrophobicContact CE1-SD 3.91Å; Y33-M317 HydrophobicContact CE2-CE 4.3Å; Y33-M317 HydrophobicContact CE2-SD 4.43Å
34A89.2Confident78.3Confident0 Ų051.2 Ų51.20%029%0.285CS..EExtended strand (participates in β ladder)trans-81.6152.3166.200000111.2G73 Q280 I282 L305 V309A34-G73 CarbonylContact C-O 3.52Å; A34-G73 WeakPolarHBondContact CA-O 3.27Å; A34-Q280 HydrophobicContact CB-CB 4.04Å; A34-Q280 PolarHBondContact N-O 2.89Å; A34-Q280 PolarHBondContact O-N 2.98Å; A34-Q280 PolarHBondContact O-OE1 3.26Å; A34-I282 HydrophobicContact CB-CD1 3.81Å; A34-I282 HydrophobicContact CB-CG1 4.5Å; A34-L305 HydrophobicContact CB-CD2 4.23Å; A34-V309 HydrophobicContact CB-CG1 4.21Å; A34-V309 HydrophobicContact CB-CG2 4.26Å
35F88.2Confident79.5Confident1 Ų151.8 Ų51.80%0.00428%0.28CS..  trans-151.9148177.657.8-88000111.5A40 K41 V44 G73 I75 F279F35-A40 HydrophobicContact CB-CB 3.6Å; F35-A40 HydrophobicContact CD2-CB 4.23Å; F35-A40 HydrophobicContact CG-CB 4.14Å; F35-K41 HydrophobicContact CD2-CG 4.01Å; F35-K41 HydrophobicContact CE2-CG 3.87Å; F35-V44 HydrophobicContact CD1-CG2 3.93Å; F35-V44 HydrophobicContact CD2-CG2 4.47Å; F35-V44 HydrophobicContact CE1-CB 4.35Å; F35-V44 HydrophobicContact CE1-CG1 4.14Å; F35-V44 HydrophobicContact CE1-CG2 3.59Å; F35-V44 HydrophobicContact CE2-CB 4.46Å; F35-V44 HydrophobicContact CE2-CG2 4.19Å; F35-V44 HydrophobicContact CG-CG2 4.36Å; F35-V44 HydrophobicContact CZ-CB 4.04Å; F35-V44 HydrophobicContact CZ-CG1 3.79Å; F35-V44 HydrophobicContact CZ-CG2 3.74Å; F35-G73 VanDerWaalsContact CD1-C 3.5Å; F35-G73 VanDerWaalsContact CD1-O 3.28Å; F35-G73 WeakPolarHBondContact CD1-O 3.5Å; F35-G73 PolarHBondContact N-O 3.41Å; F35-G73 WeakPolarHBondContact O-CA 3.41Å; F35-I75 HydrophobicContact CD1-CG2 4.08Å; F35-I75 HydrophobicContact CE1-CB 4.14Å; F35-I75 HydrophobicContact CE1-CG2 3.93Å; F35-F279 HydrophobicContact CB-CD1 3.95Å; F35-F279 HydrophobicContact CB-CE1 4Å; F35-F279 HydrophobicContact CD1-CD1 4.49Å; F35-F279 HydrophobicContact CD1-CE1 4.26Å; F35-F279 HydrophobicContact CG-CE1 4.35Å
36N84.7Confident80.5Confident65 Ų6551.4 Ų51.435%0.34827%0.273SS..  trans-131.3-17.3175.6-170.912.8000112.7W306 V309N36-W306 VanDerWaalsContact OD1-CH2 3.29Å; N36-W306 WeakPolarHBondContact OD1-CH2 3.47Å; N36-V309 HydrophobicContact CB-CG1 4.24Å
37S86.1Confident81.8Confident44 Ų4442.4 Ų42.431%0.30823%0.232SC..SBendtrans-75.1146-178.465.30000112T39 A40 K41S37-T39 PolarHBondContact O-N 3.14Å; S37-T39 PolarHBondContact OG-OG1 3.3Å; S37-A40 PolarHBondContact O-N 3.3Å; S37-A40 VanDerWaalsContact O-N 3.14Å; S37-A40 WeakPolarHBondContact OG-CB 3.43Å; S37-A40 PolarHBondContact OG-N 3.14Å; S37-K41 PolarHBondContact O-N 2.89Å
38E87.6Confident83.1Confident112 Ų11240.9 Ų40.952%0.52322%0.22SC..Hα-helixtrans-62.5-34176.8-165.458.8-154.200112.1A40 K41 N42E38-A40 PolarHBondContact O-N 2.99Å; E38-K41 PolarHBondContact O-N 3.17Å; E38-K41 WeakPolarHBondContact OE2-CD 3.29Å; E38-K41 IonicContact OE2-NZ 2.87Å; E38-K41 PolarHBondContact OE2-NZ 2.86Å; E38-N42 PolarHBondContact O-N 3.49Å; E38-N42 PolarHBondContact O-ND2 2.98Å
39T87.2Confident84Confident84 Ų8439 Ų3952%0.51521%0.206SC..Hα-helixtrans-63.9-39.7174.450.70000112.2S37 N42 A43S37-T39 PolarHBondContact O-N 3.14Å; S37-T39 PolarHBondContact OG-OG1 3.3Å; T39-N42 PolarHBondContact O-N 3.26Å; T39-A43 PolarHBondContact O-N 2.8Å; T39-A43 VanDerWaalsContact O-N 3.14Å
40A87.3Confident84.4Confident0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-68.2-40.5174.500000111.7F35 S37 E38 N42 A43 V44 I277 F279F35-A40 HydrophobicContact CB-CB 3.6Å; F35-A40 HydrophobicContact CD2-CB 4.23Å; F35-A40 HydrophobicContact CG-CB 4.14Å; S37-A40 PolarHBondContact O-N 3.3Å; S37-A40 VanDerWaalsContact O-N 3.14Å; S37-A40 WeakPolarHBondContact OG-CB 3.43Å; S37-A40 PolarHBondContact OG-N 3.14Å; E38-A40 PolarHBondContact O-N 2.99Å; A40-N42 VanDerWaalsContact C-N 3.32Å; A40-N42 PolarHBondContact O-N 2.74Å; A40-A43 PolarHBondContact O-N 3.06Å; A40-V44 WeakPolarHBondContact O-CB 3.36Å; A40-V44 VanDerWaalsContact O-CG2 3.24Å; A40-V44 WeakPolarHBondContact O-CG2 3.5Å; A40-V44 PolarHBondContact O-N 3.28Å; A40-I277 HydrophobicContact CB-CG2 3.66Å; A40-F279 HydrophobicContact CB-CE1 3.97Å; A40-F279 HydrophobicContact CB-CZ 4.04Å
41K87Confident84Confident54 Ų5438.3 Ų38.324%0.23520%0.201CC..Hα-helixtrans-56.5-45.6173.8-66.6-177.8-158.9156.50111.9F35 S37 E38 A43 V44 H45F35-K41 HydrophobicContact CD2-CG 4.01Å; F35-K41 HydrophobicContact CE2-CG 3.87Å; S37-K41 PolarHBondContact O-N 2.89Å; E38-K41 PolarHBondContact O-N 3.17Å; E38-K41 WeakPolarHBondContact OE2-CD 3.29Å; E38-K41 IonicContact OE2-NZ 2.87Å; E38-K41 PolarHBondContact OE2-NZ 2.86Å; K41-A43 VanDerWaalsContact C-N 3.34Å; K41-A43 PolarHBondContact O-N 2.87Å; K41-V44 PolarHBondContact O-N 3.34Å; K41-H45 WeakPolarHBondContact O-CB 3.24Å; K41-H45 PolarHBondContact O-CD2 3.43Å; K41-H45 PolarHBondContact O-N 2.93Å
42N86.8Confident83.1Confident94 Ų9442.6 Ų42.650%0.50322%0.22SC..Hα-helixtrans-62.8-39.7177.6-70.7-24.3000112.5E38 T39 A40 F46E38-N42 PolarHBondContact O-N 3.49Å; E38-N42 PolarHBondContact O-ND2 2.98Å; T39-N42 PolarHBondContact O-N 3.26Å; A40-N42 VanDerWaalsContact C-N 3.32Å; A40-N42 PolarHBondContact O-N 2.74Å; N42-F46 WeakPolarHBondContact O-CB 3.31Å; N42-F46 PolarHBondContact O-N 3.23Å
43A86Confident81.4Confident0 Ų049.5 Ų49.50%026%0.257CS..Hα-helixtrans-65.9-40.2175.200000112T39 A40 K41 F46 A47 I83 I277 L321T39-A43 PolarHBondContact O-N 2.8Å; T39-A43 VanDerWaalsContact O-N 3.14Å; A40-A43 PolarHBondContact O-N 3.06Å; K41-A43 VanDerWaalsContact C-N 3.34Å; K41-A43 PolarHBondContact O-N 2.87Å; A43-F46 WeakPolarHBondContact O-CB 3.33Å; A43-F46 PolarHBondContact O-N 3.02Å; A43-A47 PolarHBondContact O-N 3.5Å; A43-I83 HydrophobicContact CB-CD1 4.38Å; A43-I83 WeakPolarHBondContact O-CD1 3.29Å; A43-I277 HydrophobicContact CB-CD1 3.6Å; A43-L321 HydrophobicContact CB-CD2 3.85Å
44V85.4Confident79.4Confident0 Ų055.5 Ų55.50%029%0.289CS..Hα-helixtrans-66.2-44.8176.9169.70000111.1F35 A40 K41 F46 A47 T48 V68 I70 I75 F279F35-V44 HydrophobicContact CD1-CG2 3.93Å; F35-V44 HydrophobicContact CD2-CG2 4.47Å; F35-V44 HydrophobicContact CE1-CB 4.35Å; F35-V44 HydrophobicContact CE1-CG1 4.14Å; F35-V44 HydrophobicContact CE1-CG2 3.59Å; F35-V44 HydrophobicContact CE2-CB 4.46Å; F35-V44 HydrophobicContact CE2-CG2 4.19Å; F35-V44 HydrophobicContact CG-CG2 4.36Å; F35-V44 HydrophobicContact CZ-CB 4.04Å; F35-V44 HydrophobicContact CZ-CG1 3.79Å; F35-V44 HydrophobicContact CZ-CG2 3.74Å; A40-V44 WeakPolarHBondContact O-CB 3.36Å; A40-V44 VanDerWaalsContact O-CG2 3.24Å; A40-V44 WeakPolarHBondContact O-CG2 3.5Å; A40-V44 PolarHBondContact O-N 3.28Å; K41-V44 PolarHBondContact O-N 3.34Å; V44-F46 PolarHBondContact O-N 3.38Å; V44-A47 WeakPolarHBondContact O-CB 3.31Å; V44-A47 PolarHBondContact O-N 3.45Å; V44-A47 VanDerWaalsContact O-N 3.13Å; V44-T48 WeakPolarHBondContact O-CG2 3.3Å; V44-T48 PolarHBondContact O-N 3.19Å; V44-T48 PolarHBondContact O-OG1 3.26Å; V44-V68 HydrophobicContact CG1-CG1 3.44Å; V44-V68 VanDerWaalsContact CG1-CG1 3.44Å; V44-I70 HydrophobicContact CG1-CG1 4.14Å; V44-I75 HydrophobicContact CB-CD1 4.46Å; V44-I75 HydrophobicContact CG1-CD1 4.01Å; V44-I75 HydrophobicContact CG2-CB 4.45Å; V44-I75 HydrophobicContact CG2-CD1 4.12Å; V44-I75 HydrophobicContact CG2-CG2 4.16Å; V44-F279 HydrophobicContact CG2-CE1 4.22Å
45H84Confident77.1Confident83 Ų8360.8 Ų60.838%0.38432%0.317SS..Hα-helixtrans-56.6-39.6171.8-86.7-68.6000112.2K41 T48 N49 I70K41-H45 WeakPolarHBondContact O-CB 3.24Å; K41-H45 PolarHBondContact O-CD2 3.43Å; K41-H45 PolarHBondContact O-N 2.93Å; H45-T48 WeakPolarHBondContact CA-OG1 3.46Å; H45-T48 PolarHBondContact O-OG1 2.9Å; H45-N49 WeakPolarHBondContact O-CB 3.37Å; H45-N49 PolarHBondContact O-N 3.39Å; H45-N49 PolarHBondContact O-OD1 3.23Å; H45-N49 VanDerWaalsContact O-OD1 3.12Å; H45-I70 WeakPolarHBondContact CE1-CD1 3.34Å; H45-I70 WeakPolarHBondContact ND1-CD1 3.25Å
46F83.9Confident74.9Confident47 Ų4765.7 Ų65.721%0.20635%0.347CS..Hα-helixtrans-65.3-45.3175.5-179.6-104.5000111.6N42 A43 V44 T48 N49 L50 I83 L321 I322N42-F46 WeakPolarHBondContact O-CB 3.31Å; N42-F46 PolarHBondContact O-N 3.23Å; A43-F46 WeakPolarHBondContact O-CB 3.33Å; A43-F46 PolarHBondContact O-N 3.02Å; V44-F46 PolarHBondContact O-N 3.38Å; F46-T48 VanDerWaalsContact C-N 3.35Å; F46-T48 PolarHBondContact O-N 2.94Å; F46-N49 PolarHBondContact O-N 3.35Å; F46-L50 HydrophobicContact CD1-CD1 4.06Å; F46-L50 HydrophobicContact CE1-CD1 3.57Å; F46-L50 HydrophobicContact CE1-CG 4.17Å; F46-L50 HydrophobicContact CE2-CD2 4.41Å; F46-L50 HydrophobicContact CE2-CG 4.49Å; F46-L50 HydrophobicContact CZ-CD1 3.93Å; F46-L50 HydrophobicContact CZ-CD2 4.05Å; F46-L50 HydrophobicContact CZ-CG 4.12Å; F46-L50 WeakPolarHBondContact O-CG 3.46Å; F46-L50 PolarHBondContact O-N 3.2Å; F46-L50 VanDerWaalsContact O-N 3.12Å; F46-I83 HydrophobicContact CD1-CD1 4.45Å; F46-I83 HydrophobicContact CD1-CG2 4.15Å; F46-I83 HydrophobicContact CE1-CG2 4.11Å; F46-L321 HydrophobicContact CD1-CD2 4.39Å; F46-I322 VanDerWaalsContact CZ-C 3.48Å
47A81.1Confident73Confident1 Ų166.7 Ų66.71%0.00836%0.359CS..Hα-helixtrans-59.9-41.317600000112.9A43 V44 I75 L79 I83A43-A47 PolarHBondContact O-N 3.5Å; V44-A47 WeakPolarHBondContact O-CB 3.31Å; V44-A47 PolarHBondContact O-N 3.45Å; V44-A47 VanDerWaalsContact O-N 3.13Å; A47-I75 HydrophobicContact CB-CD1 4.3Å; A47-L79 HydrophobicContact CB-CG 4.33Å; A47-I83 HydrophobicContact CB-CD1 3.65Å; A47-I83 HydrophobicContact CB-CG1 3.9Å; A47-I83 HydrophobicContact CB-CG2 4.46Å
48T78.4Confident70.7Confident21 Ų2170.9 Ų70.913%0.12938%0.378CS..Hα-helixtrans-65.1-46.2177.851.30000111.4V44 H45 F46 L50 N51 E52 V68 L79V44-T48 WeakPolarHBondContact O-CG2 3.3Å; V44-T48 PolarHBondContact O-N 3.19Å; V44-T48 PolarHBondContact O-OG1 3.26Å; H45-T48 WeakPolarHBondContact CA-OG1 3.46Å; H45-T48 PolarHBondContact O-OG1 2.9Å; F46-T48 VanDerWaalsContact C-N 3.35Å; F46-T48 PolarHBondContact O-N 2.94Å; T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 2.97Å; T48-N51 PolarHBondContact O-N 3.03Å; T48-E52 PolarHBondContact O-N 3.2Å; T48-V68 HydrophobicContact CG2-CB 3.71Å; T48-V68 HydrophobicContact CG2-CG1 3.63Å; T48-V68 HydrophobicContact CG2-CG2 3.52Å; T48-L79 HydrophobicContact CG2-CD2 4.39Å
49N79.5Confident68.4Low83 Ų8368.1 Ų68.144%0.44437%0.371SS..Hα-helixtrans-64.3-34.7-177.4-69.26.2000112.1H45 F46 N51 E52H45-N49 WeakPolarHBondContact O-CB 3.37Å; H45-N49 PolarHBondContact O-N 3.39Å; H45-N49 PolarHBondContact O-OD1 3.23Å; H45-N49 VanDerWaalsContact O-OD1 3.12Å; F46-N49 PolarHBondContact O-N 3.35Å; N49-N51 PolarHBondContact O-N 3Å; N49-E52 PolarHBondContact O-N 3.33Å
50L73.4Confident66.5Low44 Ų4466.6 Ų66.623%0.2336%0.357CS..Hα-helixtrans-58.3-28.7175.1-74.7175.8000113.1F46 T48 I83 P324F46-L50 HydrophobicContact CD1-CD1 4.06Å; F46-L50 HydrophobicContact CE1-CD1 3.57Å; F46-L50 HydrophobicContact CE1-CG 4.17Å; F46-L50 HydrophobicContact CE2-CD2 4.41Å; F46-L50 HydrophobicContact CE2-CG 4.49Å; F46-L50 HydrophobicContact CZ-CD1 3.93Å; F46-L50 HydrophobicContact CZ-CD2 4.05Å; F46-L50 HydrophobicContact CZ-CG 4.12Å; F46-L50 WeakPolarHBondContact O-CG 3.46Å; F46-L50 PolarHBondContact O-N 3.2Å; F46-L50 VanDerWaalsContact O-N 3.12Å; T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 2.97Å; L50-I83 HydrophobicContact CD1-CG2 3.51Å; L50-P324 HydrophobicContact CD1-CG 3.92Å; L50-P324 VanDerWaalsContact CD2-CD 3.42Å; L50-P324 HydrophobicContact CD2-CG 4.18Å
51N67.5Low64.5Low41 Ų4171.1 Ų71.122%0.21938%0.38CS..Hα-helixtrans-98.6-24178.8-79.1-16000113.3T48 N49 D53 N54 K60 L79 Q82T48-N51 PolarHBondContact O-N 3.03Å; N49-N51 PolarHBondContact O-N 3Å; N51-D53 PolarHBondContact O-N 3.1Å; N51-N54 PolarHBondContact O-N 3.41Å; N51-K60 VanDerWaalsContact C-NZ 3.26Å; N51-K60 PolarHBondContact O-NZ 3.3Å; N51-L79 WeakPolarHBondContact ND2-CD1 3.4Å; N51-Q82 PolarHBondContact ND2-OE1 3.21Å; N51-Q82 VanDerWaalsContact ND2-OE1 3.13Å
52E64.1Low62.6Low118 Ų11873.3 Ų73.355%0.55139%0.394SS*.Hα-helixtrans-54.9-31.6176.8-80.4-170.5170.700113.1T48 N49 N54T48-E52 PolarHBondContact O-N 3.2Å; N49-E52 PolarHBondContact O-N 3.33Å; E52-N54 PolarHBondContact O-N 2.69Å
53D52.1Low61.2Low145 Ų14573 Ų7378%0.77539%0.392SS*.THydrogen-bonded Turntrans-62.2-14177.3-76.3-17.9000114N51N51-D53 PolarHBondContact O-N 3.1Å
54N47.8Very low59.8Low128 Ų12873.9 Ų73.968%0.68440%0.397SS*.THydrogen-bonded Turntrans-115.9-0.7-173.3-96.62.7000117.8N51 E52N51-N54 PolarHBondContact O-N 3.41Å; E52-N54 PolarHBondContact O-N 2.69Å
55N41.8Very low58.5Low111 Ų11178.4 Ų78.459%0.59442%0.421SS*.SBendtrans-179.9144.5163.3-98.6-29.5000112.3K60N55-K60 PolarHBondContact O-NZ 3.45Å; N55-K60 VanDerWaalsContact O-NZ 3.13Å
56T40.6Very low57.4Low104 Ų10475.5 Ų75.564%0.63841%0.41SS*.  trans-32.7134.9179.9510000114.9L58 S59T56-L58 PolarHBondContact O-N 2.81Å; T56-S59 PolarHBondContact O-N 3.5Å; T56-S59 PolarHBondContact O-OG 3.46Å
57S44.7Very low56.6Low86 Ų8674.1 Ų74.160%0.60140%0.403SS*.THydrogen-bonded Turntrans-50-9-175.151.70000118.4
58L37.6Very low56Low133 Ų13375.7 Ų75.770%0.69641%0.413SS*.THydrogen-bonded Turntrans-101.8-31.5-173.9-143.478.1000114.1T56T56-L58 PolarHBondContact O-N 2.81Å
59S41.2Very low55.7Low53 Ų5375.8 Ų75.837%0.37141%0.412SS..G310 helixtrans-75-25.2-17653.20000113.4T56 I61 L62T56-S59 PolarHBondContact O-N 3.5Å; T56-S59 PolarHBondContact O-OG 3.46Å; S59-I61 VanDerWaalsContact C-N 3.33Å; S59-I61 PolarHBondContact O-N 2.75Å; S59-L62 PolarHBondContact O-N 3.3Å
60K45.7Very low55.2Low52 Ų5274.1 Ų74.123%0.22640%0.403CS..G310 helixtrans-75.1-15178.7-69.1-168.6-176.7108.40115.2N51 N55 L62 S66N51-K60 VanDerWaalsContact C-NZ 3.26Å; N51-K60 PolarHBondContact O-NZ 3.3Å; N55-K60 PolarHBondContact O-NZ 3.45Å; N55-K60 VanDerWaalsContact O-NZ 3.13Å; K60-L62 PolarHBondContact O-N 2.85Å; K60-S66 PolarHBondContact O-OG 2.86Å; K60-S66 VanDerWaalsContact O-OG 3.1Å
61I46.5Very low54.9Low96 Ų9673.4 Ų73.449%0.49240%0.402SS..G310 helixtrans-69.7-20.7174.6-63.1174.9000110.6S59S59-I61 VanDerWaalsContact C-N 3.33Å; S59-I61 PolarHBondContact O-N 2.75Å
62L46.8Very low55Low100 Ų10071.7 Ų71.752%0.52439%0.393SS..THydrogen-bonded Turntrans-94.9-32.2-173.7-74.9156.4000114.2S59 K60 I64S59-L62 PolarHBondContact O-N 3.3Å; K60-L62 PolarHBondContact O-N 2.85Å; L62-I64 PolarHBondContact O-N 2.76Å
63L57.8Low55.8Low86 Ų8666.1 Ų66.145%0.4537%0.367SS..  trans-85.4115.2179.8-67.5170.7000110.7D65 S66 Y67L63-D65 PolarHBondContact O-N 2.95Å; L63-D65 VanDerWaalsContact O-N 3.13Å; L63-S66 PolarHBondContact O-N 3.42Å; L63-S66 PolarHBondContact O-OG 3.37Å; L63-Y67 PolarHBondContact O-N 3.26Å
64I56.7Low57.3Low20 Ų2059.2 Ų59.210%0.10333%0.33CS..G310 helixtrans-47.8-41.3178.8-72.4168.8000112F22 T25 P30 F32 L62 S66 Y67 S76F22-I64 HydrophobicContact CD2-CD1 3.81Å; F22-I64 HydrophobicContact CD2-CG1 3.74Å; F22-I64 HydrophobicContact CE2-CB 4.47Å; F22-I64 HydrophobicContact CE2-CD1 3.33Å; F22-I64 HydrophobicContact CE2-CG1 3.61Å; F22-I64 HydrophobicContact CE2-CG2 4.04Å; F22-I64 HydrophobicContact CZ-CD1 3.99Å; T25-I64 WeakPolarHBondContact OG1-CD1 3.33Å; P30-I64 HydrophobicContact CB-CG2 3.66Å; P30-I64 HydrophobicContact CG-CG2 3.47Å; P30-I64 VanDerWaalsContact CG-CG2 3.47Å; F32-I64 HydrophobicContact CZ-CG2 4.12Å; L62-I64 PolarHBondContact O-N 2.76Å; I64-S66 PolarHBondContact O-N 2.75Å; I64-Y67 WeakPolarHBondContact O-CB 3.4Å; I64-Y67 PolarHBondContact O-N 2.74Å; I64-S76 WeakPolarHBondContact O-CB 3.27Å
65D58.1Low59.1Low95 Ų9553.1 Ų53.151%0.50830%0.297SS..G310 helixtrans-64.7-23.4-177.8-69.1-27.2000113.4L63 S76 N78 L79L63-D65 PolarHBondContact O-N 2.95Å; L63-D65 VanDerWaalsContact O-N 3.13Å; D65-S76 PolarHBondContact O-OG 3.45Å; D65-N78 HydrophobicContact CB-CB 4.2Å; D65-N78 VanDerWaalsContact CG-ND2 3.27Å; D65-N78 PolarHBondContact OD1-ND2 2.89Å; D65-L79 PolarHBondContact O-N 3.26Å
66S60.9Low61.1Low22 Ų2248 Ų4815%0.15427%0.27CS..G310 helixtrans-108.57.6179.668.10000114K60 L63 I64 V68K60-S66 PolarHBondContact O-OG 2.86Å; K60-S66 VanDerWaalsContact O-OG 3.1Å; L63-S66 PolarHBondContact O-N 3.42Å; L63-S66 PolarHBondContact O-OG 3.37Å; I64-S66 PolarHBondContact O-N 2.75Å; S66-V68 PolarHBondContact O-N 2.82Å
67Y67Low63.2Low17 Ų1743.5 Ų43.57%0.06724%0.243CC..  trans-67.8125.8-173.2-179.9-97.9000112.7F18 F32 L63 I64 N69 S76F18-Y67 WeakPolarHBondContact CB-OH 2.97Å; F18-Y67 HydrophobicContact CD1-CE1 4.3Å; F18-Y67 HydrophobicContact CD2-CD1 4.01Å; F18-Y67 AromaticContact CD2-CD2 3.77Å; F18-Y67 HydrophobicContact CD2-CD2 3.77Å; F18-Y67 AromaticContact CD2-CE1 3.39Å; F18-Y67 HydrophobicContact CD2-CE1 3.39Å; F18-Y67 AromaticContact CD2-CE2 3.12Å; F18-Y67 HydrophobicContact CD2-CE2 3.12Å; F18-Y67 HydrophobicContact CD2-CG 4.18Å; F18-Y67 AromaticContact CD2-CZ 2.88Å; F18-Y67 WeakPolarHBondContact CD2-OH 3.04Å; F18-Y67 HydrophobicContact CE1-CE1 4.18Å; F18-Y67 AromaticContact CE2-CD1 3.36Å; F18-Y67 HydrophobicContact CE2-CD1 3.36Å; F18-Y67 AromaticContact CE2-CD2 3.62Å; F18-Y67 HydrophobicContact CE2-CD2 3.62Å; F18-Y67 AromaticContact CE2-CE1 3.15Å; F18-Y67 HydrophobicContact CE2-CE1 3.15Å; F18-Y67 AromaticContact CE2-CE2 3.45Å; F18-Y67 HydrophobicContact CE2-CE2 3.45Å; F18-Y67 VanDerWaalsContact CE2-CE2 3.45Å; F18-Y67 AromaticContact CE2-CG 3.58Å; F18-Y67 HydrophobicContact CE2-CG 3.58Å; F18-Y67 AromaticContact CE2-CZ 3.2Å; F18-Y67 AromaticContact CG-CE1 3.92Å; F18-Y67 HydrophobicContact CG-CE1 3.92Å; F18-Y67 HydrophobicContact CG-CE2 4.05Å; F18-Y67 AromaticContact CG-CZ 3.43Å; F18-Y67 VanDerWaalsContact CG-CZ 3.43Å; F18-Y67 WeakPolarHBondContact CG-OH 3.45Å; F18-Y67 AromaticContact CZ-CD1 3.81Å; F18-Y67 HydrophobicContact CZ-CD1 3.81Å; F18-Y67 AromaticContact CZ-CE1 3.59Å; F18-Y67 HydrophobicContact CZ-CE1 3.59Å; F18-Y67 HydrophobicContact CZ-CG 4.4Å; F32-Y67 HydrophobicContact CD1-CD1 4.44Å; F32-Y67 HydrophobicContact CE1-CD1 4.1Å; L63-Y67 PolarHBondContact O-N 3.26Å; I64-Y67 WeakPolarHBondContact O-CB 3.4Å; I64-Y67 PolarHBondContact O-N 2.74Å; Y67-N69 HydrophobicContact CE1-CB 3.94Å; Y67-N69 HydrophobicContact CE2-CB 4.37Å; Y67-N69 WeakPolarHBondContact OH-CB 3.31Å; Y67-N69 PolarHBondContact OH-ND2 3.47Å; Y67-S76 PolarHBondContact O-N 3.43Å
68V68.8Low64.8Low35 Ų3543.5 Ų43.521%0.21224%0.236CC..EExtended strand (participates in β ladder)trans-136.7132.4169.1-172.60000110.4V44 T48 S66 I70 I75 L79V44-V68 HydrophobicContact CG1-CG1 3.44Å; V44-V68 VanDerWaalsContact CG1-CG1 3.44Å; T48-V68 HydrophobicContact CG2-CB 3.71Å; T48-V68 HydrophobicContact CG2-CG1 3.63Å; T48-V68 HydrophobicContact CG2-CG2 3.52Å; S66-V68 PolarHBondContact O-N 2.82Å; V68-I70 HydrophobicContact CG1-CG1 3.77Å; V68-I75 HydrophobicContact CG2-CD1 3.98Å; V68-I75 HydrophobicContact CG2-CG1 3.93Å; V68-L79 HydrophobicContact CB-CD2 4.45Å; V68-L79 HydrophobicContact CG2-CD2 2.97Å; V68-L79 HydrophobicContact CG2-CG 4.4Å
69N71.8Confident66.8Low22 Ų2237.4 Ų37.412%0.11820%0.204CC..EExtended strand (participates in β ladder)trans-133.297.6164.3-174.6-12.6000110Y67 S71 T72 G73 V74Y67-N69 HydrophobicContact CE1-CB 3.94Å; Y67-N69 HydrophobicContact CE2-CB 4.37Å; Y67-N69 WeakPolarHBondContact OH-CB 3.31Å; Y67-N69 PolarHBondContact OH-ND2 3.47Å; N69-S71 PolarHBondContact O-N 3.02Å; N69-S71 WeakPolarHBondContact OD1-CA 3.48Å; N69-S71 WeakPolarHBondContact OD1-CB 3.38Å; N69-S71 PolarHBondContact OD1-N 2.84Å; N69-S71 PolarHBondContact OD1-OG 2.85Å; N69-T72 VanDerWaalsContact CB-OG1 3.24Å; N69-T72 WeakPolarHBondContact CB-OG1 2.93Å; N69-T72 WeakPolarHBondContact ND2-CG2 3.17Å; N69-T72 PolarHBondContact ND2-OG1 2.96Å; N69-T72 PolarHBondContact O-N 3Å; N69-T72 PolarHBondContact O-OG1 2.72Å; N69-T72 PolarHBondContact OD1-N 2.96Å; N69-T72 VanDerWaalsContact OD1-N 3.11Å; N69-G73 PolarHBondContact O-N 3.42Å; N69-V74 PolarHBondContact N-O 3.23Å; N69-V74 PolarHBondContact O-N 3Å; N69-V74 VanDerWaalsContact O-N 3.1Å
70I68.3Low68.9Low49 Ų4934.9 Ų34.925%0.25119%0.187SC..THydrogen-bonded Turntrans-59.1-31.2178.8-52-174.6000110.7V44 H45 V68 G73V44-I70 HydrophobicContact CG1-CG1 4.14Å; H45-I70 WeakPolarHBondContact CE1-CD1 3.34Å; H45-I70 WeakPolarHBondContact ND1-CD1 3.25Å; V68-I70 HydrophobicContact CG1-CG1 3.77Å; I70-G73 PolarHBondContact O-N 3.12Å
71S67.8Low70.7Confident29 Ų2935.8 Ų35.820%0.20319%0.194CC..THydrogen-bonded Turntrans-75.3-41.3-179.881.60000112.6H11 R14 N69 G73H11-S71 PolarHBondContact CE1-O 3.35Å; H11-S71 PolarHBondContact ND1-O 3.48Å; R14-S71 WeakPolarHBondContact CD-OG 2.84Å; R14-S71 PolarHBondContact NE-OG 3.28Å; N69-S71 PolarHBondContact O-N 3.02Å; N69-S71 WeakPolarHBondContact OD1-CA 3.48Å; N69-S71 WeakPolarHBondContact OD1-CB 3.38Å; N69-S71 PolarHBondContact OD1-N 2.84Å; N69-S71 PolarHBondContact OD1-OG 2.85Å; S71-G73 PolarHBondContact O-N 3.45Å
72T68.8Low72.2Confident5 Ų536.5 Ų36.53%0.03120%0.195CC..THydrogen-bonded Turntrans-79-12.817456.20000112.3R14 E15 N69R14-T72 HydrophobicContact CB-CG2 3.83Å; E15-T72 HydrophobicContact CB-CG2 4Å; N69-T72 VanDerWaalsContact CB-OG1 3.24Å; N69-T72 WeakPolarHBondContact CB-OG1 2.93Å; N69-T72 WeakPolarHBondContact ND2-CG2 3.17Å; N69-T72 PolarHBondContact ND2-OG1 2.96Å; N69-T72 PolarHBondContact O-N 3Å; N69-T72 PolarHBondContact O-OG1 2.72Å; N69-T72 PolarHBondContact OD1-N 2.96Å; N69-T72 VanDerWaalsContact OD1-N 3.11Å
73G80.8Confident73.9Confident0 Ų032.2 Ų32.20%017%0.172CC..THydrogen-bonded Turntrans73.539.1-176.800000112.2A34 F35 N69 I70 S71A34-G73 CarbonylContact C-O 3.52Å; A34-G73 WeakPolarHBondContact CA-O 3.27Å; F35-G73 VanDerWaalsContact CD1-C 3.5Å; F35-G73 VanDerWaalsContact CD1-O 3.28Å; F35-G73 WeakPolarHBondContact CD1-O 3.5Å; F35-G73 PolarHBondContact N-O 3.41Å; F35-G73 WeakPolarHBondContact O-CA 3.41Å; N69-G73 PolarHBondContact O-N 3.42Å; I70-G73 PolarHBondContact O-N 3.12Å; S71-G73 PolarHBondContact O-N 3.45Å
74V83.9Confident75.3Confident1 Ų128.4 Ų28.41%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-130.9136.1-178.6-176.10000111.1F32 Y33 N69 W188 L305F32-V74 HydrophobicContact CB-CG1 3.85Å; F32-V74 HydrophobicContact CD1-CG1 4.08Å; F32-V74 HydrophobicContact CG-CG1 4.23Å; Y33-V74 WeakPolarHBondContact O-CA 3.14Å; N69-V74 PolarHBondContact N-O 3.23Å; N69-V74 PolarHBondContact O-N 3Å; N69-V74 VanDerWaalsContact O-N 3.1Å; V74-W188 HydrophobicContact CG1-CH2 3.95Å; V74-W188 HydrophobicContact CG2-CZ2 4.45Å; V74-L305 HydrophobicContact CG2-CD2 3.46Å; V74-L305 VanDerWaalsContact CG2-CD2 3.46Å
75I85.4Confident76.6Confident0 Ų028.6 Ų28.60%016%0.16CC..EExtended strand (participates in β ladder)trans-133.8144.8176.3177.7159000110.3F32 Y33 F35 V44 A47 V68 L79 L80F32-I75 CarbonylContact C-O 3.56Å; F32-I75 WeakPolarHBondContact CA-O 3.33Å; Y33-I75 PolarHBondContact N-O 2.92Å; Y33-I75 WeakPolarHBondContact O-CG2 3.49Å; Y33-I75 PolarHBondContact O-N 2.7Å; F35-I75 HydrophobicContact CD1-CG2 4.08Å; F35-I75 HydrophobicContact CE1-CB 4.14Å; F35-I75 HydrophobicContact CE1-CG2 3.93Å; V44-I75 HydrophobicContact CB-CD1 4.46Å; V44-I75 HydrophobicContact CG1-CD1 4.01Å; V44-I75 HydrophobicContact CG2-CB 4.45Å; V44-I75 HydrophobicContact CG2-CD1 4.12Å; V44-I75 HydrophobicContact CG2-CG2 4.16Å; A47-I75 HydrophobicContact CB-CD1 4.3Å; V68-I75 HydrophobicContact CG2-CD1 3.98Å; V68-I75 HydrophobicContact CG2-CG1 3.93Å; I75-L79 HydrophobicContact CD1-CB 4.28Å; I75-L79 HydrophobicContact CD1-CD2 3.77Å; I75-L79 HydrophobicContact CD1-CG 4.06Å; I75-L79 HydrophobicContact CG1-CB 4.27Å; I75-L79 HydrophobicContact CG1-CD2 4.16Å; I75-L80 HydrophobicContact CD1-CB 4.06Å; I75-L80 HydrophobicContact CD1-CD1 4.23Å; I75-L80 HydrophobicContact CG1-CB 4.12Å; I75-L80 HydrophobicContact CG2-CB 4.21Å; I75-L80 HydrophobicContact CG2-CD1 4.46Å; I75-L80 HydrophobicContact CG2-CD2 4.05Å; I75-L80 HydrophobicContact CG2-CG 4.47Å
76S83.7Confident77.6Confident3 Ų325.7 Ų25.72%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-63.9144.5172.368.70000111.8I64 D65 Y67 N78 L79 L80I64-S76 WeakPolarHBondContact O-CB 3.27Å; D65-S76 PolarHBondContact O-OG 3.45Å; Y67-S76 PolarHBondContact O-N 3.43Å; S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.35Å; S76-L79 PolarHBondContact O-N 2.8Å; S76-L79 VanDerWaalsContact OG-CB 3.22Å; S76-L79 WeakPolarHBondContact OG-CB 3.17Å; S76-L79 PolarHBondContact OG-N 3.39Å; S76-L80 PolarHBondContact O-N 3.46Å
77S84.3Confident78.4Confident9 Ų926.1 Ų26.16%0.06315%0.145CC..Hα-helixtrans-58.6-41.4175.4179.60000111.7I31 Y33 L79 L80 N81I31-S77 WeakPolarHBondContact O-CB 3.25Å; I31-S77 PolarHBondContact O-N 2.95Å; Y33-S77 WeakPolarHBondContact CE2-OG 3.32Å; S77-L79 PolarHBondContact O-N 3.03Å; S77-L80 PolarHBondContact O-N 3.11Å; S77-N81 WeakPolarHBondContact O-CB 3.42Å; S77-N81 PolarHBondContact O-N 3.2Å; S77-N81 PolarHBondContact O-ND2 3.42Å; S77-N81 VanDerWaalsContact O-ND2 3.14Å; S77-N81 PolarHBondContact OG-ND2 2.99Å
78N78.7Confident78.4Confident86 Ų8626.9 Ų26.946%0.4615%0.152SC..Hα-helixtrans-61.8-42.7-178.7-76.4-12.4000112.8D65 S76D65-N78 HydrophobicContact CB-CB 4.2Å; D65-N78 VanDerWaalsContact CG-ND2 3.27Å; D65-N78 PolarHBondContact OD1-ND2 2.89Å; S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.35Å
79L80.3Confident78.3Confident6 Ų630.4 Ų30.43%0.03117%0.173CC..Hα-helixtrans-71.1-43.8176.5-174.570.2000112.2A47 T48 N51 D65 V68 I75 S76 S77 N81 Q82A47-L79 HydrophobicContact CB-CG 4.33Å; T48-L79 HydrophobicContact CG2-CD2 4.39Å; N51-L79 WeakPolarHBondContact ND2-CD1 3.4Å; D65-L79 PolarHBondContact O-N 3.26Å; V68-L79 HydrophobicContact CB-CD2 4.45Å; V68-L79 HydrophobicContact CG2-CD2 2.97Å; V68-L79 HydrophobicContact CG2-CG 4.4Å; I75-L79 HydrophobicContact CD1-CB 4.28Å; I75-L79 HydrophobicContact CD1-CD2 3.77Å; I75-L79 HydrophobicContact CD1-CG 4.06Å; I75-L79 HydrophobicContact CG1-CB 4.27Å; I75-L79 HydrophobicContact CG1-CD2 4.16Å; S76-L79 PolarHBondContact O-N 2.8Å; S76-L79 VanDerWaalsContact OG-CB 3.22Å; S76-L79 WeakPolarHBondContact OG-CB 3.17Å; S76-L79 PolarHBondContact OG-N 3.39Å; S77-L79 PolarHBondContact O-N 3.03Å; L79-N81 VanDerWaalsContact C-N 3.3Å; L79-N81 PolarHBondContact O-N 2.97Å; L79-Q82 WeakPolarHBondContact O-CB 3.32Å; L79-Q82 PolarHBondContact O-N 2.66Å
80L85.2Confident77.3Confident0 Ų032.6 Ų32.60%018%0.182CC..Hα-helixtrans-65.3-37.3-179.8-172.262.1000111.5Y33 I75 S76 S77 Q82 I83 C84 F279 M317Y33-L80 HydrophobicContact CD1-CD2 4.41Å; Y33-L80 HydrophobicContact CD2-CB 4.23Å; Y33-L80 HydrophobicContact CD2-CD2 3.47Å; Y33-L80 VanDerWaalsContact CD2-CD2 3.47Å; Y33-L80 HydrophobicContact CD2-CG 4.42Å; Y33-L80 HydrophobicContact CE2-CD2 4.14Å; Y33-L80 HydrophobicContact CG-CD2 3.61Å; I75-L80 HydrophobicContact CD1-CB 4.06Å; I75-L80 HydrophobicContact CD1-CD1 4.23Å; I75-L80 HydrophobicContact CG1-CB 4.12Å; I75-L80 HydrophobicContact CG2-CB 4.21Å; I75-L80 HydrophobicContact CG2-CD1 4.46Å; I75-L80 HydrophobicContact CG2-CD2 4.05Å; I75-L80 HydrophobicContact CG2-CG 4.47Å; S76-L80 PolarHBondContact O-N 3.46Å; S77-L80 PolarHBondContact O-N 3.11Å; L80-Q82 PolarHBondContact O-N 3.28Å; L80-Q82 VanDerWaalsContact O-N 3.16Å; L80-I83 HydrophobicContact CD1-CD1 4.34Å; L80-I83 HydrophobicContact CD1-CG1 4.35Å; L80-I83 WeakPolarHBondContact O-CG1 3.38Å; L80-I83 PolarHBondContact O-N 3.42Å; L80-I83 VanDerWaalsContact O-N 3.09Å; L80-C84 HydrophobicContact CD1-CB 4.07Å; L80-C84 HydrophobicContact CG-CB 4.02Å; L80-C84 WeakPolarHBondContact O-CB 3.31Å; L80-C84 PolarHBondContact O-N 3.02Å; L80-F279 HydrophobicContact CD1-CE1 4.09Å; L80-F279 HydrophobicContact CD1-CE2 4.3Å; L80-F279 HydrophobicContact CD1-CZ 3.76Å; L80-F279 HydrophobicContact CD2-CD1 3.78Å; L80-F279 HydrophobicContact CD2-CD2 4.15Å; L80-F279 HydrophobicContact CD2-CE1 3.77Å; L80-F279 HydrophobicContact CD2-CE2 4.13Å; L80-F279 HydrophobicContact CD2-CG 3.97Å; L80-F279 HydrophobicContact CD2-CZ 3.95Å; L80-M317 HydrophobicContact CD2-CE 4.03Å; L80-M317 HydrophobicContact CD2-SD 3.61Å; L80-M317 HydrophobicContact CG-CE 4.24Å; L80-M317 HydrophobicContact CG-SD 4.38Å
81N84.1Confident76.4Confident70 Ų7032 Ų3237%0.37418%0.183SC..THydrogen-bonded Turntrans-66.9-13.2-179.1-72.3-22000114S77 L79 I83 C84S77-N81 WeakPolarHBondContact O-CB 3.42Å; S77-N81 PolarHBondContact O-N 3.2Å; S77-N81 PolarHBondContact O-ND2 3.42Å; S77-N81 VanDerWaalsContact O-ND2 3.14Å; S77-N81 PolarHBondContact OG-ND2 2.99Å; L79-N81 VanDerWaalsContact C-N 3.3Å; L79-N81 PolarHBondContact O-N 2.97Å; N81-I83 VanDerWaalsContact C-N 3.34Å; N81-C84 CarbonylContact C-O 3.59Å; N81-C84 WeakPolarHBondContact CA-O 3.32Å
82Q77.9Confident75.3Confident112 Ų11238.6 Ų38.652%0.52321%0.21SC..THydrogen-bonded Turntrans-70.2-31.6172.2-67.4178.2-1400112.3N51 L79 L80N51-Q82 PolarHBondContact ND2-OE1 3.21Å; N51-Q82 VanDerWaalsContact ND2-OE1 3.13Å; L79-Q82 WeakPolarHBondContact O-CB 3.32Å; L79-Q82 PolarHBondContact O-N 2.66Å; L80-Q82 PolarHBondContact O-N 3.28Å; L80-Q82 VanDerWaalsContact O-N 3.16Å
83I82.4Confident74Confident9 Ų941.3 Ų41.35%0.04622%0.224CC..THydrogen-bonded Turntrans-112.7-25.2-178.759.2151000113.5A43 F46 A47 L50 L80 N81 C319 H320A43-I83 HydrophobicContact CB-CD1 4.38Å; A43-I83 WeakPolarHBondContact O-CD1 3.29Å; F46-I83 HydrophobicContact CD1-CD1 4.45Å; F46-I83 HydrophobicContact CD1-CG2 4.15Å; F46-I83 HydrophobicContact CE1-CG2 4.11Å; A47-I83 HydrophobicContact CB-CD1 3.65Å; A47-I83 HydrophobicContact CB-CG1 3.9Å; A47-I83 HydrophobicContact CB-CG2 4.46Å; L50-I83 HydrophobicContact CD1-CG2 3.51Å; L80-I83 HydrophobicContact CD1-CD1 4.34Å; L80-I83 HydrophobicContact CD1-CG1 4.35Å; L80-I83 WeakPolarHBondContact O-CG1 3.38Å; L80-I83 PolarHBondContact O-N 3.42Å; L80-I83 VanDerWaalsContact O-N 3.09Å; N81-I83 VanDerWaalsContact C-N 3.34Å; I83-C319 CarbonylContact O-C 3.31Å; I83-C319 WeakPolarHBondContact O-CA 3.07Å; I83-H320 PolarHBondContact O-N 3Å
84C87.4Confident72.3Confident7 Ų746.2 Ų46.25%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-124.9155.5-173.5-60.70000111L80 N81 M317 K318 C319L80-C84 HydrophobicContact CD1-CB 4.07Å; L80-C84 HydrophobicContact CG-CB 4.02Å; L80-C84 WeakPolarHBondContact O-CB 3.31Å; L80-C84 PolarHBondContact O-N 3.02Å; N81-C84 CarbonylContact C-O 3.59Å; N81-C84 WeakPolarHBondContact CA-O 3.32Å; C84-M317 HydrophobicContact CB-CB 4.22Å; C84-M317 HydrophobicContact CB-CE 3.82Å; C84-M317 HydrophobicContact CB-SD 4.49Å; C84-K318 CarbonylContact C-O 3.5Å; C84-K318 VanDerWaalsContact CA-O 3.25Å; C84-K318 WeakPolarHBondContact CA-O 3.27Å; C84-C319 HydrophobicContact CB-CB 4.08Å; C84-C319 WeakPolarHBondContact CB-SG 3.37Å; C84-C319 WeakPolarHBondContact SG-CB 3.4Å; C84-C319 CovalentContact SG-SG 2.03Å; C84-C319 PolarHBondContact SG-SG 3.27Å
85G84Confident70.8Confident23 Ų2353.3 Ų53.324%0.23728%0.281CS..EExtended strand (participates in β ladder)trans-144.3153.5168.500000111.1Y87 M317 K318G85-Y87 PolarHBondContact O-N 3.4Å; G85-M317 CarbonylContact O-C 3.58Å; G85-M317 WeakPolarHBondContact O-CA 3.41Å; G85-M317 WeakPolarHBondContact O-CB 3.43Å; G85-K318 PolarHBondContact N-O 3.29Å; G85-K318 PolarHBondContact O-N 3.47Å
86P78.7Confident69.9Low35 Ų3554.2 Ų54.223%0.22729%0.286CS..EExtended strand (participates in β ladder)trans-54.1137.8174.921.4-31.2000110.9P88 T89 T198P86-P88 CarbonylContact C-O 3.57Å; P86-P88 CarbonylContact O-C 3.56Å; P86-T89 VanDerWaalsContact O-CA 3.32Å; P86-T89 WeakPolarHBondContact O-CA 3.44Å; P86-T89 PolarHBondContact O-N 3.19Å; P86-T198 HydrophobicContact CB-CG2 3.7Å
87Y77.4Confident69.6Low30 Ų3059.2 Ų59.212%0.11832%0.316CS..SBendtrans-126.7127.8177.6-169-92.9000112.7G85 S199 S205 A209 F276 V316 K318G85-Y87 PolarHBondContact O-N 3.4Å; Y87-S199 PolarHBondContact O-N 2.92Å; Y87-S205 WeakPolarHBondContact CE1-O 3.34Å; Y87-A209 HydrophobicContact CE1-CB 4.28Å; Y87-A209 HydrophobicContact CE2-CB 4.43Å; Y87-A209 VanDerWaalsContact OH-CA 3.25Å; Y87-A209 WeakPolarHBondContact OH-CA 3.2Å; Y87-A209 WeakPolarHBondContact OH-CB 3.32Å; Y87-A209 PolarHBondContact OH-N 2.94Å; Y87-F276 HydrophobicContact CD1-CD1 4.09Å; Y87-F276 AromaticContact CD1-CE1 3.59Å; Y87-F276 HydrophobicContact CD1-CE1 3.59Å; Y87-F276 AromaticContact CD2-CE1 3.97Å; Y87-F276 HydrophobicContact CD2-CE1 3.97Å; Y87-F276 AromaticContact CE1-CE1 3.91Å; Y87-F276 HydrophobicContact CE1-CE1 3.91Å; Y87-F276 HydrophobicContact CE2-CE1 4.27Å; Y87-F276 HydrophobicContact CG-CD1 4.22Å; Y87-F276 AromaticContact CG-CE1 3.61Å; Y87-F276 HydrophobicContact CG-CE1 3.61Å; Y87-V316 PolarHBondContact N-O 3.07Å; Y87-K318 HydrophobicContact CD2-CB 4.21Å; Y87-K318 HydrophobicContact CD2-CD 4.26Å; Y87-K318 HydrophobicContact CG-CB 4.35Å
88P67.8Low69.6Low33 Ų3362.2 Ų62.221%0.21433%0.328CS..SBendcis-58.1158.9-13.729.5-36.9000110.9P86 F90 W168P86-P88 CarbonylContact C-O 3.57Å; P86-P88 CarbonylContact O-C 3.56Å; P88-F90 PolarHBondContact O-N 3.37Å; P88-W168 HydrophobicContact CG-CH2 3.36Å; P88-W168 HydrophobicContact CG-CZ2 4.25Å; P88-W168 HydrophobicContact CG-CZ3 3.83Å
89T64.8Low69.5Low109 Ų10959.8 Ų59.867%0.66932%0.316SS*.  trans-56.4132.6-179.646.10000109.9P86 S91P86-T89 VanDerWaalsContact O-CA 3.32Å; P86-T89 WeakPolarHBondContact O-CA 3.44Å; P86-T89 PolarHBondContact O-N 3.19Å; T89-S91 PolarHBondContact O-N 3.44Å
90F52.4Low69.5Low68 Ų6862.8 Ų62.830%0.29833%0.329SS..  trans-56.8116166.7178.9-107.6000107.6P88 E92 D194 Q197P88-F90 PolarHBondContact O-N 3.37Å; F90-E92 HydrophobicContact CD1-CG 4.16Å; F90-E92 HydrophobicContact CE1-CB 4.41Å; F90-E92 HydrophobicContact CE1-CG 3.38Å; F90-E92 HydrophobicContact CZ-CG 4.06Å; F90-D194 HydrophobicContact CD2-CB 4.47Å; F90-D194 WeakPolarHBondContact CD2-O 3.38Å; F90-D194 HydrophobicContact CE1-CB 4.22Å; F90-D194 HydrophobicContact CE2-CB 3.6Å; F90-D194 VanDerWaalsContact CE2-O 3.22Å; F90-D194 WeakPolarHBondContact CE2-O 3.2Å; F90-D194 HydrophobicContact CZ-CB 3.46Å; F90-D194 VanDerWaalsContact CZ-CB 3.46Å; F90-Q197 HydrophobicContact CD2-CB 4.25Å; F90-Q197 HydrophobicContact CE2-CB 4.4Å; F90-Q197 HydrophobicContact CE2-CG 4.24Å
91S48.5Very low69.5Low38 Ų3866.3 Ų66.327%0.26635%0.351SS..  trans-108105.2175.6-164.50000104.6T89 L93 Y94T89-S91 PolarHBondContact O-N 3.44Å; S91-L93 PolarHBondContact O-N 2.83Å; S91-L93 WeakPolarHBondContact OG-CB 3.26Å; S91-Y94 PolarHBondContact O-N 3.22Å
92E44Very low69.7Low167 Ų16763.5 Ų63.578%0.7834%0.336SS*.G310 helixtrans-50.6-23.8161.4-70.5-178.6167.500110.4F90 Y94F90-E92 HydrophobicContact CD1-CG 4.16Å; F90-E92 HydrophobicContact CE1-CB 4.41Å; F90-E92 HydrophobicContact CE1-CG 3.38Å; F90-E92 HydrophobicContact CZ-CG 4.06Å; E92-Y94 PolarHBondContact O-N 2.7Å
93L41.9Very low69.9Low61 Ų6160.3 Ų60.332%0.31932%0.321SS..G310 helixtrans-78.221.7173.3-171.184.2000113.1S91 N95 D96 D514S91-L93 PolarHBondContact O-N 2.83Å; S91-L93 WeakPolarHBondContact OG-CB 3.26Å; L93-N95 PolarHBondContact O-N 2.92Å; L93-D96 HydrophobicContact CD1-CB 3.53Å; L93-D96 HydrophobicContact CD2-CB 4.25Å; L93-D96 HydrophobicContact CG-CB 3.43Å; L93-D96 VanDerWaalsContact CG-CB 3.43Å; L93-D96 WeakPolarHBondContact O-CB 3.2Å; L93-D96 PolarHBondContact O-N 3.23Å; L93-D514 WeakPolarHBondContact CD2-OD1 3.16Å
94Y46.5Very low70Confident103 Ų10359.9 Ų59.940%0.40432%0.319SS..G310 helixtrans-64.4-16161-128.6-81000112S91 E92 D96 W168S91-Y94 PolarHBondContact O-N 3.22Å; E92-Y94 PolarHBondContact O-N 2.7Å; Y94-D96 VanDerWaalsContact C-N 3.28Å; Y94-W168 HydrophobicContact CE2-CZ2 4.26Å; Y94-W168 WeakPolarHBondContact OH-CZ2 3.47Å
95N51.3Low70.1Confident150 Ų15064.6 Ų64.680%0.80234%0.336SS*.G310 helixtrans-80.2-3.1167.9-79.2-12.4000113.8L93 T97L93-N95 PolarHBondContact O-N 2.92Å; N95-T97 PolarHBondContact O-N 3.45Å
96D67.6Low70.4Confident19 Ų1966.7 Ų66.710%0.10234%0.342CS..  trans-7999.8177.6-165-2.4000112L93 Y94 F98 D99 H100 K518L93-D96 HydrophobicContact CD1-CB 3.53Å; L93-D96 HydrophobicContact CD2-CB 4.25Å; L93-D96 HydrophobicContact CG-CB 3.43Å; L93-D96 VanDerWaalsContact CG-CB 3.43Å; L93-D96 WeakPolarHBondContact O-CB 3.2Å; L93-D96 PolarHBondContact O-N 3.23Å; Y94-D96 VanDerWaalsContact C-N 3.28Å; D96-F98 PolarHBondContact O-N 3.2Å; D96-F98 VanDerWaalsContact OD1-CB 3.28Å; D96-F98 WeakPolarHBondContact OD1-CB 3.35Å; D96-F98 PolarHBondContact OD1-N 3Å; D96-D99 PolarHBondContact O-N 2.91Å; D96-H100 PolarHBondContact O-N 3.34Å; D96-K518 IonicContact OD1-NZ 3.5Å; D96-K518 WeakPolarHBondContact OD2-CE 3.45Å; D96-K518 IonicContact OD2-NZ 2.73Å; D96-K518 PolarHBondContact OD2-NZ 3.45Å
97T76.8Confident70.9Confident108 Ų10866.1 Ų66.166%0.66334%0.337SS*.Hα-helixtrans-46.3-33.1170.659.80000112.7N95 V101N95-T97 PolarHBondContact O-N 3.45Å; T97-V101 VanDerWaalsContact O-CB 3.28Å; T97-V101 WeakPolarHBondContact O-CB 3.3Å; T97-V101 WeakPolarHBondContact O-CG2 3.27Å; T97-V101 PolarHBondContact O-N 3.36Å
98F83.1Confident71.6Confident72 Ų7265 Ų6532%0.31633%0.333SS..Hα-helixtrans-67-55.8-179.1179.4-100.3000112D96 H100 V101 V102 K518 I521D96-F98 PolarHBondContact O-N 3.2Å; D96-F98 VanDerWaalsContact OD1-CB 3.28Å; D96-F98 WeakPolarHBondContact OD1-CB 3.35Å; D96-F98 PolarHBondContact OD1-N 3Å; F98-H100 VanDerWaalsContact C-N 3.28Å; F98-H100 PolarHBondContact O-N 2.73Å; F98-V101 PolarHBondContact O-N 2.75Å; F98-V101 VanDerWaalsContact O-N 3.15Å; F98-V102 HydrophobicContact CD1-CG2 4.39Å; F98-V102 HydrophobicContact CD2-CG2 4.3Å; F98-V102 HydrophobicContact CE1-CG2 4.03Å; F98-V102 HydrophobicContact CE2-CG2 3.93Å; F98-V102 HydrophobicContact CZ-CG2 3.79Å; F98-V102 WeakPolarHBondContact O-CG2 3.3Å; F98-V102 PolarHBondContact O-N 2.85Å; F98-K518 HydrophobicContact CD1-CB 4.46Å; F98-K518 HydrophobicContact CD1-CD 4.47Å; F98-K518 HydrophobicContact CD1-CG 4.02Å; F98-K518 HydrophobicContact CE1-CB 4.18Å; F98-K518 HydrophobicContact CE1-CG 4.23Å; F98-I521 HydrophobicContact CE1-CB 4.45Å; F98-I521 HydrophobicContact CE1-CG2 4.16Å
99D78.2Confident72.7Confident36 Ų3668 Ų6819%0.19335%0.346CS..Hα-helixtrans-61.8-40.7-178.6-82.1-3.3000111.3D96 V102 H103 I521D96-D99 PolarHBondContact O-N 2.91Å; D99-V102 PolarHBondContact O-N 3.44Å; D99-H103 WeakPolarHBondContact O-CB 3.49Å; D99-H103 PolarHBondContact O-N 3.47Å; D99-H103 PolarHBondContact O-ND1 2.95Å; D99-I521 WeakPolarHBondContact OD1-CD1 3.42Å
100H79Confident74Confident68 Ų6863.9 Ų63.932%0.31532%0.32SS..Hα-helixtrans-61.2-46.9175.4-173.370.5000111.4D96 F98 T104D96-H100 PolarHBondContact O-N 3.34Å; F98-H100 VanDerWaalsContact C-N 3.28Å; F98-H100 PolarHBondContact O-N 2.73Å; H100-T104 PolarHBondContact CE1-OG1 3.39Å; H100-T104 PolarHBondContact ND1-OG1 3.34Å; H100-T104 WeakPolarHBondContact O-CB 3.21Å; H100-T104 PolarHBondContact O-N 2.97Å; H100-T104 PolarHBondContact O-OG1 2.86Å
101V86.3Confident75.8Confident75 Ų7561.1 Ų61.146%0.45531%0.308SS..Hα-helixtrans-64.1-44.5-179.8167.70000111.5T97 F98 Y105 L106T97-V101 VanDerWaalsContact O-CB 3.28Å; T97-V101 WeakPolarHBondContact O-CB 3.3Å; T97-V101 WeakPolarHBondContact O-CG2 3.27Å; T97-V101 PolarHBondContact O-N 3.36Å; F98-V101 PolarHBondContact O-N 2.75Å; F98-V101 VanDerWaalsContact O-N 3.15Å; V101-Y105 WeakPolarHBondContact O-CB 3.49Å; V101-Y105 PolarHBondContact O-N 3.49Å; V101-L106 PolarHBondContact O-N 2.91Å
102V87.3Confident77.9Confident10 Ų1062.8 Ų62.86%0.06131%0.314CS..Iπ-helixtrans-64.1-53.5-178.4173.60000111F98 D99 L106 L107 I521 L525F98-V102 HydrophobicContact CD1-CG2 4.39Å; F98-V102 HydrophobicContact CD2-CG2 4.3Å; F98-V102 HydrophobicContact CE1-CG2 4.03Å; F98-V102 HydrophobicContact CE2-CG2 3.93Å; F98-V102 HydrophobicContact CZ-CG2 3.79Å; F98-V102 WeakPolarHBondContact O-CG2 3.3Å; F98-V102 PolarHBondContact O-N 2.85Å; D99-V102 PolarHBondContact O-N 3.44Å; V102-L106 PolarHBondContact O-N 3.49Å; V102-L107 WeakPolarHBondContact O-CB 3.09Å; V102-L107 PolarHBondContact O-N 3.34Å; V102-I521 HydrophobicContact CB-CG2 4.46Å; V102-I521 HydrophobicContact CG1-CG2 3.79Å; V102-L525 HydrophobicContact CG1-CD1 4.35Å
103H83.5Confident80.2Confident46 Ų4660.3 Ų60.321%0.21330%0.3CS..Iπ-helixtrans-73.5-35.1-174.6-66.690.7000113.2D99 P108 Y156D99-H103 WeakPolarHBondContact O-CB 3.49Å; D99-H103 PolarHBondContact O-N 3.47Å; D99-H103 PolarHBondContact O-ND1 2.95Å; H103-P108 WeakPolarHBondContact O-CD 3.41Å; H103-Y156 AromaticContact CD2-CE1 3.86Å
104T84.5Confident82.5Confident0 Ų057.4 Ų57.40%029%0.285CS..Iπ-helixtrans-83.9-35-174.5-500000112H100 S160 K163H100-T104 PolarHBondContact CE1-OG1 3.39Å; H100-T104 PolarHBondContact ND1-OG1 3.34Å; H100-T104 WeakPolarHBondContact O-CB 3.21Å; H100-T104 PolarHBondContact O-N 2.97Å; H100-T104 PolarHBondContact O-OG1 2.86Å; T104-S160 WeakPolarHBondContact O-CB 3.47Å; T104-S160 PolarHBondContact O-OG 3.39Å; T104-K163 HydrophobicContact CG2-CG 4.48Å
105Y87.9Confident84.7Confident105 Ų10554.9 Ų54.941%0.41228%0.279SS..Iπ-helixtrans-116.2-51.6-173.2-62.6-76.2000113.3V101 I109V101-Y105 WeakPolarHBondContact O-CB 3.49Å; V101-Y105 PolarHBondContact O-N 3.49Å; Y105-I109 VanDerWaalsContact O-CD1 3.28Å; Y105-I109 WeakPolarHBondContact O-CD1 3.26Å; Y105-I109 VanDerWaalsContact O-CG1 3.3Å; Y105-I109 WeakPolarHBondContact O-CG1 3.31Å
106L90.5Very high86.6Confident68 Ų6851.7 Ų51.736%0.35626%0.26SS..Iπ-helixtrans-75.9-46-168.8-169.361.5000112.6V101 V102 I109 L110 L525V101-L106 PolarHBondContact O-N 2.91Å; V102-L106 PolarHBondContact O-N 3.49Å; L106-I109 PolarHBondContact O-N 2.96Å; L106-L110 HydrophobicContact CD1-CD1 4.2Å; L106-L110 HydrophobicContact CD1-CG 4.38Å; L106-L110 HydrophobicContact CG-CD1 3.88Å; L106-L110 HydrophobicContact CG-CG 4.43Å; L106-L110 WeakPolarHBondContact O-CG 3.29Å; L106-L110 PolarHBondContact O-N 3.29Å; L106-L525 HydrophobicContact CD2-CD1 3.49Å; L106-L525 VanDerWaalsContact CD2-CD1 3.49Å; L106-L525 HydrophobicContact CD2-CD2 3.66Å; L106-L525 HydrophobicContact CD2-CG 4.19Å; L106-L525 HydrophobicContact CG-CD1 3.85Å
107L90.2Very high87.8Confident22 Ų2252.1 Ų52.112%0.11526%0.264CS..Hα-helixtrans-65.1-47.5-173.8-153.267.8000113.1V102 I109 L110 M111 Y156 L525 L528V102-L107 WeakPolarHBondContact O-CB 3.09Å; V102-L107 PolarHBondContact O-N 3.34Å; L107-I109 VanDerWaalsContact C-N 3.33Å; L107-I109 PolarHBondContact O-N 2.9Å; L107-L110 PolarHBondContact O-N 3.28Å; L107-M111 HydrophobicContact CG-CG 4.46Å; L107-M111 VanDerWaalsContact O-CB 3.31Å; L107-M111 WeakPolarHBondContact O-CB 3.3Å; L107-M111 WeakPolarHBondContact O-CG 3.21Å; L107-M111 PolarHBondContact O-N 2.87Å; L107-Y156 HydrophobicContact CD2-CD1 3.97Å; L107-Y156 HydrophobicContact CD2-CD2 3.75Å; L107-Y156 HydrophobicContact CD2-CE1 3.62Å; L107-Y156 HydrophobicContact CD2-CE2 3.33Å; L107-Y156 HydrophobicContact CD2-CG 4.05Å; L107-Y156 HydrophobicContact CG-CD2 4.26Å; L107-Y156 HydrophobicContact CG-CE2 4.16Å; L107-L525 HydrophobicContact CD1-CD1 4.35Å; L107-L528 HydrophobicContact CD1-CD2 3.95Å
108P91Very high88.4Confident7 Ų747 Ų475%0.04523%0.232CC..Hα-helixtrans-58.3-43.9177.1-18.827.8000112.6H103 M111 I112H103-P108 WeakPolarHBondContact O-CD 3.41Å; P108-M111 PolarHBondContact O-N 3.15Å; P108-I112 VanDerWaalsContact O-CG1 3.31Å; P108-I112 WeakPolarHBondContact O-CG1 3.2Å; P108-I112 PolarHBondContact O-N 3.4Å
109I91.4Very high88.9Confident95 Ų9548.7 Ų48.749%0.48724%0.24SC..Hα-helixtrans-63.3-50.6-179.3-64.4173.3000110.2Y105 L106 L107 M111 I112 F113Y105-I109 VanDerWaalsContact O-CD1 3.28Å; Y105-I109 WeakPolarHBondContact O-CD1 3.26Å; Y105-I109 VanDerWaalsContact O-CG1 3.3Å; Y105-I109 WeakPolarHBondContact O-CG1 3.31Å; L106-I109 PolarHBondContact O-N 2.96Å; L107-I109 VanDerWaalsContact C-N 3.33Å; L107-I109 PolarHBondContact O-N 2.9Å; I109-M111 VanDerWaalsContact C-N 3.3Å; I109-M111 PolarHBondContact O-N 3.46Å; I109-I112 PolarHBondContact O-N 3.47Å; I109-F113 HydrophobicContact CG2-CD2 3.95Å; I109-F113 HydrophobicContact CG2-CE2 3.71Å; I109-F113 VanDerWaalsContact O-CD2 3.24Å; I109-F113 WeakPolarHBondContact O-CD2 3.31Å; I109-F113 PolarHBondContact O-N 3.3Å
110L91.5Very high89.6Confident24 Ų2450.6 Ų50.613%0.12625%0.247CC..Hα-helixtrans-59.9-41.1178.4-71.8176.9000112L106 L107 F113 V114 L525 L528 V529L106-L110 HydrophobicContact CD1-CD1 4.2Å; L106-L110 HydrophobicContact CD1-CG 4.38Å; L106-L110 HydrophobicContact CG-CD1 3.88Å; L106-L110 HydrophobicContact CG-CG 4.43Å; L106-L110 WeakPolarHBondContact O-CG 3.29Å; L106-L110 PolarHBondContact O-N 3.29Å; L107-L110 PolarHBondContact O-N 3.28Å; L110-F113 PolarHBondContact O-N 2.99Å; L110-V114 WeakPolarHBondContact O-CG2 3.42Å; L110-V114 PolarHBondContact O-N 2.97Å; L110-L525 HydrophobicContact CD1-CD1 3.4Å; L110-L525 VanDerWaalsContact CD1-CD1 3.4Å; L110-L525 HydrophobicContact CD1-CG 3.84Å; L110-L528 HydrophobicContact CB-CD2 3.63Å; L110-L528 HydrophobicContact CB-CG 4.38Å; L110-L528 HydrophobicContact CD1-CD2 4.35Å; L110-V529 HydrophobicContact CD1-CG2 3.99Å; L110-V529 HydrophobicContact CD2-CG2 3.88Å
111M91.6Very high90.2Very high10 Ų1047.5 Ų47.55%0.04923%0.232CC..Hα-helixtrans-64.7-38.8179.4-70.1-71.8-92.400112.4L107 P108 I109 V114 L115 C149 P152 L153 L528L107-M111 HydrophobicContact CG-CG 4.46Å; L107-M111 VanDerWaalsContact O-CB 3.31Å; L107-M111 WeakPolarHBondContact O-CB 3.3Å; L107-M111 WeakPolarHBondContact O-CG 3.21Å; L107-M111 PolarHBondContact O-N 2.87Å; P108-M111 PolarHBondContact O-N 3.15Å; I109-M111 VanDerWaalsContact C-N 3.3Å; I109-M111 PolarHBondContact O-N 3.46Å; M111-V114 PolarHBondContact O-N 2.87Å; M111-L115 VanDerWaalsContact O-CB 3.3Å; M111-L115 WeakPolarHBondContact O-CB 3.49Å; M111-L115 PolarHBondContact O-N 3.39Å; M111-C149 VanDerWaalsContact CE-CA 3.49Å; M111-C149 HydrophobicContact CE-CB 4.01Å; M111-C149 WeakPolarHBondContact CE-O 3.44Å; M111-C149 HydrophobicContact SD-CB 4.14Å; M111-P152 HydrophobicContact CE-CB 4.42Å; M111-P152 HydrophobicContact CE-CG 3.26Å; M111-L153 HydrophobicContact CB-CD1 3.86Å; M111-L528 HydrophobicContact CG-CD2 3.82Å; M111-L528 HydrophobicContact SD-CD1 3.33Å; M111-L528 WeakPolarHBondContact SD-CD1 3.41Å; M111-L528 HydrophobicContact SD-CD2 3.6Å; M111-L528 VanDerWaalsContact SD-CD2 3.6Å; M111-L528 HydrophobicContact SD-CG 4.1Å
112I92.2Very high90.6Very high73 Ų7344.4 Ų44.437%0.37421%0.214SC..Hα-helixtrans-61.2-45.8173.6-69.6165.8000110.5P108 I109 V114 L115 I116 L153P108-I112 VanDerWaalsContact O-CG1 3.31Å; P108-I112 WeakPolarHBondContact O-CG1 3.2Å; P108-I112 PolarHBondContact O-N 3.4Å; I109-I112 PolarHBondContact O-N 3.47Å; I112-V114 PolarHBondContact O-N 2.98Å; I112-L115 WeakPolarHBondContact O-CB 3.39Å; I112-L115 PolarHBondContact O-N 3.4Å; I112-I116 HydrophobicContact CG2-CD1 3.91Å; I112-I116 VanDerWaalsContact O-CG1 3.32Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.33Å; I112-L153 HydrophobicContact CG1-CD1 4.02Å; I112-L153 HydrophobicContact CG1-CD2 4.47Å
113F91.3Very high90.8Very high114 Ų11447.3 Ų47.350%0.523%0.229SC..Hα-helixtrans-63.7-41.2177.1-79.5-70000112.8I109 L110 L115 I116 T117I109-F113 HydrophobicContact CG2-CD2 3.95Å; I109-F113 HydrophobicContact CG2-CE2 3.71Å; I109-F113 VanDerWaalsContact O-CD2 3.24Å; I109-F113 WeakPolarHBondContact O-CD2 3.31Å; I109-F113 PolarHBondContact O-N 3.3Å; L110-F113 PolarHBondContact O-N 2.99Å; F113-L115 VanDerWaalsContact C-N 3.35Å; F113-I116 PolarHBondContact O-N 3.45Å; F113-T117 WeakPolarHBondContact O-CG2 3.5Å; F113-T117 PolarHBondContact O-N 2.91Å; F113-T117 PolarHBondContact O-OG1 3.42Å
114V90.7Very high91.2Very high0 Ų045.2 Ų45.20%022%0.219CC..Hα-helixtrans-64.2-41.7175.4177.10000110.9L110 M111 I112 I116 T117 N118 C149 L528 Y531 Q532L110-V114 WeakPolarHBondContact O-CG2 3.42Å; L110-V114 PolarHBondContact O-N 2.97Å; M111-V114 PolarHBondContact O-N 2.87Å; I112-V114 PolarHBondContact O-N 2.98Å; V114-I116 PolarHBondContact O-N 3.21Å; V114-T117 WeakPolarHBondContact CA-OG1 3.18Å; V114-T117 PolarHBondContact O-N 2.88Å; V114-T117 PolarHBondContact O-OG1 3.49Å; V114-T117 VanDerWaalsContact O-OG1 3.09Å; V114-N118 WeakPolarHBondContact CG1-ND2 3.06Å; V114-N118 VanDerWaalsContact O-CB 3.29Å; V114-N118 WeakPolarHBondContact O-CB 3.4Å; V114-N118 PolarHBondContact O-N 2.98Å; V114-C149 WeakPolarHBondContact CG1-SG 3.34Å; V114-L528 HydrophobicContact CB-CD1 4.23Å; V114-L528 HydrophobicContact CG1-CD1 4.32Å; V114-L528 HydrophobicContact CG2-CD1 3.73Å; V114-L528 HydrophobicContact CG2-CG 3.95Å; V114-L528 VanDerWaalsContact CG2-O 3.29Å; V114-L528 WeakPolarHBondContact CG2-O 3.39Å; V114-Y531 HydrophobicContact CG1-CD2 4.27Å; V114-Q532 HydrophobicContact CG2-CG 3.66Å
115L92.3Very high91.6Very high51 Ų5145.7 Ų45.727%0.26722%0.221SC..Hα-helixtrans-58.8-47.5176.8-17079000111.2M111 I112 F113 F119 L146 C150 L153M111-L115 VanDerWaalsContact O-CB 3.3Å; M111-L115 WeakPolarHBondContact O-CB 3.49Å; M111-L115 PolarHBondContact O-N 3.39Å; I112-L115 WeakPolarHBondContact O-CB 3.39Å; I112-L115 PolarHBondContact O-N 3.4Å; F113-L115 VanDerWaalsContact C-N 3.35Å; L115-F119 WeakPolarHBondContact O-CB 3.48Å; L115-F119 PolarHBondContact O-N 2.75Å; L115-L146 HydrophobicContact CD1-CD1 3.58Å; L115-L146 HydrophobicContact CD1-CG 4.3Å; L115-L146 HydrophobicContact CG-CD1 4.19Å; L115-L146 WeakPolarHBondContact O-CD1 3.44Å; L115-C150 HydrophobicContact CD1-CB 4.12Å; L115-L153 HydrophobicContact CD2-CD2 4.05Å
116I92.4Very high91.7Very high82 Ų8244 Ų4442%0.42123%0.225SC..Hα-helixtrans-62.8-49.2179.2-67.4165.6000111I112 F113 V114 F119 F120I112-I116 HydrophobicContact CG2-CD1 3.91Å; I112-I116 VanDerWaalsContact O-CG1 3.32Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.33Å; F113-I116 PolarHBondContact O-N 3.45Å; V114-I116 PolarHBondContact O-N 3.21Å; I116-F119 WeakPolarHBondContact O-CB 3.46Å; I116-F119 PolarHBondContact O-N 3.24Å; I116-F120 HydrophobicContact CG2-CD2 4.05Å; I116-F120 HydrophobicContact CG2-CE2 3.77Å; I116-F120 WeakPolarHBondContact O-CD2 3.04Å; I116-F120 PolarHBondContact O-N 3.05Å
117T91.6Very high91.7Very high28 Ų2844.2 Ų44.217%0.17222%0.223CC..Hα-helixtrans-65.5-46.1-177.849.80000111.9F113 V114 F119 F120 V121F113-T117 WeakPolarHBondContact O-CG2 3.5Å; F113-T117 PolarHBondContact O-N 2.91Å; F113-T117 PolarHBondContact O-OG1 3.42Å; V114-T117 WeakPolarHBondContact CA-OG1 3.18Å; V114-T117 PolarHBondContact O-N 2.88Å; V114-T117 PolarHBondContact O-OG1 3.49Å; V114-T117 VanDerWaalsContact O-OG1 3.09Å; T117-F119 VanDerWaalsContact C-N 3.31Å; T117-F119 PolarHBondContact O-N 3.2Å; T117-F120 PolarHBondContact O-N 3.2Å; T117-V121 WeakPolarHBondContact O-CG2 3.37Å; T117-V121 PolarHBondContact O-N 3.27Å
118N90.5Very high91.3Very high1 Ų146.6 Ų46.61%0.00524%0.24CC..Hα-helixtrans-68.2-30177.8-76.4-13.3000112.8V114 V121 C122 E145 L146V114-N118 WeakPolarHBondContact CG1-ND2 3.06Å; V114-N118 VanDerWaalsContact O-CB 3.29Å; V114-N118 WeakPolarHBondContact O-CB 3.4Å; V114-N118 PolarHBondContact O-N 2.98Å; N118-V121 PolarHBondContact O-N 2.87Å; N118-C122 WeakPolarHBondContact O-CB 3.08Å; N118-C122 PolarHBondContact O-N 3.32Å; N118-C122 PolarHBondContact O-SG 2.84Å; N118-E145 WeakPolarHBondContact ND2-CB 3.4Å; N118-L146 HydrophobicContact CB-CB 4.39Å; N118-L146 HydrophobicContact CB-CD1 4.06Å
119F93.3Very high90.9Very high108 Ų10852.8 Ų52.847%0.47427%0.268SS..Hα-helixtrans-60.4-48.1170.7174.8-103.5000111.1L115 I116 T117 V121 C122 L123 L146L115-F119 WeakPolarHBondContact O-CB 3.48Å; L115-F119 PolarHBondContact O-N 2.75Å; I116-F119 WeakPolarHBondContact O-CB 3.46Å; I116-F119 PolarHBondContact O-N 3.24Å; T117-F119 VanDerWaalsContact C-N 3.31Å; T117-F119 PolarHBondContact O-N 3.2Å; F119-V121 PolarHBondContact O-N 3.37Å; F119-C122 PolarHBondContact O-N 2.89Å; F119-L123 HydrophobicContact CD1-CD1 3.8Å; F119-L123 HydrophobicContact CD1-CG 4.34Å; F119-L123 HydrophobicContact CE1-CD1 3.26Å; F119-L123 HydrophobicContact CE1-CG 4.03Å; F119-L123 HydrophobicContact CE2-CD1 4.31Å; F119-L123 HydrophobicContact CE2-CD2 4.41Å; F119-L123 HydrophobicContact CE2-CG 4.27Å; F119-L123 HydrophobicContact CZ-CD1 3.55Å; F119-L123 HydrophobicContact CZ-CD2 4.2Å; F119-L123 HydrophobicContact CZ-CG 3.99Å; F119-L123 WeakPolarHBondContact O-CG 3.39Å; F119-L123 PolarHBondContact O-N 3.31Å; F119-L146 HydrophobicContact CB-CD1 4.31Å
120F92.5Very high90.4Very high76 Ų7648.4 Ų48.433%0.33325%0.246SC..Hα-helixtrans-63.3-40.8175.2-76.1-64.2000112.9I116 T117 C122 L123 V124 F535 F549I116-F120 HydrophobicContact CG2-CD2 4.05Å; I116-F120 HydrophobicContact CG2-CE2 3.77Å; I116-F120 WeakPolarHBondContact O-CD2 3.04Å; I116-F120 PolarHBondContact O-N 3.05Å; T117-F120 PolarHBondContact O-N 3.2Å; F120-C122 VanDerWaalsContact C-N 3.33Å; F120-C122 PolarHBondContact O-N 3.33Å; F120-L123 HydrophobicContact CD1-CD1 4.36Å; F120-L123 PolarHBondContact O-N 3.15Å; F120-V124 VanDerWaalsContact O-CG2 3.3Å; F120-V124 WeakPolarHBondContact O-CG2 3.48Å; F120-V124 PolarHBondContact O-N 3.22Å; F120-F535 HydrophobicContact CB-CD2 4.4Å; F120-F535 HydrophobicContact CB-CE2 4.08Å; F120-F549 HydrophobicContact CB-CE2 4.38Å; F120-F549 HydrophobicContact CD1-CE2 4.05Å; F120-F549 HydrophobicContact CG-CE2 4.27Å
121V92.5Very high89.9Confident2 Ų256.6 Ų56.61%0.01228%0.275CS..Hα-helixtrans-56.3-49.1174.2171.60000110.7T117 N118 F119 V124 F125 F535 Y538 F545T117-V121 WeakPolarHBondContact O-CG2 3.37Å; T117-V121 PolarHBondContact O-N 3.27Å; N118-V121 PolarHBondContact O-N 2.87Å; F119-V121 PolarHBondContact O-N 3.37Å; V121-V124 PolarHBondContact O-N 3.07Å; V121-F125 HydrophobicContact CG1-CD2 3.59Å; V121-F125 HydrophobicContact CG1-CE2 3.49Å; V121-F125 VanDerWaalsContact CG1-CE2 3.49Å; V121-F125 WeakPolarHBondContact O-CD2 3.26Å; V121-F125 PolarHBondContact O-N 3.2Å; V121-F535 HydrophobicContact CG2-CB 3.89Å; V121-F535 HydrophobicContact CG2-CD2 3.87Å; V121-F535 HydrophobicContact CG2-CG 4.39Å; V121-Y538 HydrophobicContact CG1-CD2 4.06Å; V121-Y538 HydrophobicContact CG1-CE2 3.84Å; V121-Y538 HydrophobicContact CG2-CD2 4.18Å; V121-Y538 HydrophobicContact CG2-CE2 4.41Å; V121-F545 HydrophobicContact CG2-CZ 4.44Å
122C93.5Very high89.6Confident11 Ų1157.5 Ų57.57%0.07428%0.282CS..Hα-helixtrans-61.8-43.9177.6-690000112N118 F119 F120 V124 F125 S126 F139N118-C122 WeakPolarHBondContact O-CB 3.08Å; N118-C122 PolarHBondContact O-N 3.32Å; N118-C122 PolarHBondContact O-SG 2.84Å; F119-C122 PolarHBondContact O-N 2.89Å; F120-C122 VanDerWaalsContact C-N 3.33Å; F120-C122 PolarHBondContact O-N 3.33Å; C122-V124 PolarHBondContact O-N 3.39Å; C122-F125 PolarHBondContact O-N 3.03Å; C122-S126 WeakPolarHBondContact O-CB 3.14Å; C122-S126 PolarHBondContact O-N 3.11Å; C122-S126 PolarHBondContact O-OG 3.26Å; C122-F139 HydrophobicContact CB-CD2 4.48Å; C122-F139 HydrophobicContact CB-CE2 4.18Å; C122-F139 WeakPolarHBondContact O-CE2 3.35Å
123L92.2Very high89.3Confident71 Ų7155.9 Ų55.937%0.37228%0.276SS..Hα-helixtrans-61.2-41.5178.4-77.4-177.2000112.9F119 F120F119-L123 HydrophobicContact CD1-CD1 3.8Å; F119-L123 HydrophobicContact CD1-CG 4.34Å; F119-L123 HydrophobicContact CE1-CD1 3.26Å; F119-L123 HydrophobicContact CE1-CG 4.03Å; F119-L123 HydrophobicContact CE2-CD1 4.31Å; F119-L123 HydrophobicContact CE2-CD2 4.41Å; F119-L123 HydrophobicContact CE2-CG 4.27Å; F119-L123 HydrophobicContact CZ-CD1 3.55Å; F119-L123 HydrophobicContact CZ-CD2 4.2Å; F119-L123 HydrophobicContact CZ-CG 3.99Å; F119-L123 WeakPolarHBondContact O-CG 3.39Å; F119-L123 PolarHBondContact O-N 3.31Å; F120-L123 HydrophobicContact CD1-CD1 4.36Å; F120-L123 PolarHBondContact O-N 3.15Å
124V92.2Very high89.1Confident1 Ų151 Ų511%0.00626%0.256CS..Hα-helixtrans-68.9-47.3179.2174.30000110.5F120 V121 C122 S126 K127 M130 F545 T548 F549 L552F120-V124 VanDerWaalsContact O-CG2 3.3Å; F120-V124 WeakPolarHBondContact O-CG2 3.48Å; F120-V124 PolarHBondContact O-N 3.22Å; V121-V124 PolarHBondContact O-N 3.07Å; C122-V124 PolarHBondContact O-N 3.39Å; V124-S126 VanDerWaalsContact C-N 3.27Å; V124-S126 PolarHBondContact O-N 3.48Å; V124-K127 WeakPolarHBondContact O-CB 3.44Å; V124-K127 WeakPolarHBondContact O-CG 3.33Å; V124-K127 PolarHBondContact O-N 2.87Å; V124-M130 HydrophobicContact CG1-CE 4.12Å; V124-F545 HydrophobicContact CB-CD2 4.1Å; V124-F545 HydrophobicContact CB-CE2 3.63Å; V124-F545 HydrophobicContact CB-CZ 4.03Å; V124-F545 HydrophobicContact CG1-CD1 4.45Å; V124-F545 HydrophobicContact CG1-CD2 3.38Å; V124-F545 HydrophobicContact CG1-CE2 3.46Å; V124-F545 VanDerWaalsContact CG1-CE2 3.46Å; V124-F545 HydrophobicContact CG1-CG 3.91Å; V124-F545 HydrophobicContact CG1-CZ 4.06Å; V124-F545 HydrophobicContact CG2-CE2 4.19Å; V124-F545 HydrophobicContact CG2-CZ 4.07Å; V124-T548 HydrophobicContact CG1-CG2 3.93Å; V124-F549 HydrophobicContact CG2-CB 3.9Å; V124-F549 HydrophobicContact CG2-CD2 3.79Å; V124-F549 HydrophobicContact CG2-CG 4.35Å; V124-L552 HydrophobicContact CG2-CD1 4.09Å
125F92Very high89Confident10 Ų1051.3 Ų51.34%0.04426%0.257CS..Hα-helixtrans-71-20.4-179.9-69.9-48.7000114.1V121 C122 K127 M130 F135 L138 F139 Y538 F545V121-F125 HydrophobicContact CG1-CD2 3.59Å; V121-F125 HydrophobicContact CG1-CE2 3.49Å; V121-F125 VanDerWaalsContact CG1-CE2 3.49Å; V121-F125 WeakPolarHBondContact O-CD2 3.26Å; V121-F125 PolarHBondContact O-N 3.2Å; C122-F125 PolarHBondContact O-N 3.03Å; F125-K127 PolarHBondContact O-N 2.77Å; F125-M130 HydrophobicContact CD1-CG 4.41Å; F125-M130 HydrophobicContact CD1-SD 4.43Å; F125-F135 HydrophobicContact CD1-CB 4.19Å; F125-F135 HydrophobicContact CD1-CD1 4.22Å; F125-F135 HydrophobicContact CD1-CG 4.4Å; F125-F135 HydrophobicContact CE1-CB 4.42Å; F125-F135 AromaticContact CE1-CD1 3.65Å; F125-F135 HydrophobicContact CE1-CD1 3.65Å; F125-F135 HydrophobicContact CE1-CE1 4.28Å; F125-F135 HydrophobicContact CE1-CG 4.28Å; F125-F135 HydrophobicContact CZ-CD1 4.47Å; F125-L138 HydrophobicContact CD2-CB 4.35Å; F125-L138 HydrophobicContact CE2-CB 3.83Å; F125-L138 HydrophobicContact CZ-CB 4Å; F125-L138 HydrophobicContact CZ-CD1 4.06Å; F125-F139 HydrophobicContact CB-CB 3.81Å; F125-F139 HydrophobicContact CB-CD2 3.93Å; F125-F139 HydrophobicContact CB-CG 4.24Å; F125-F139 HydrophobicContact CG-CB 4.5Å; F125-Y538 AromaticContact CE2-CD2 3.83Å; F125-Y538 HydrophobicContact CE2-CD2 3.83Å; F125-Y538 AromaticContact CE2-CE2 3.75Å; F125-Y538 HydrophobicContact CE2-CE2 3.75Å; F125-Y538 AromaticContact CZ-CD2 3.84Å; F125-Y538 HydrophobicContact CZ-CD2 3.84Å; F125-Y538 HydrophobicContact CZ-CE2 4.05Å; F125-Y538 HydrophobicContact CZ-CG 4.28Å; F125-F545 HydrophobicContact CD1-CD2 4.3Å; F125-F545 AromaticContact CE1-CD2 3.73Å; F125-F545 HydrophobicContact CE1-CD2 3.73Å; F125-F545 HydrophobicContact CE1-CE2 4.21Å; F125-F545 HydrophobicContact CE2-CD2 4.47Å; F125-F545 HydrophobicContact CE2-CE2 4.18Å; F125-F545 AromaticContact CZ-CD2 3.82Å; F125-F545 HydrophobicContact CZ-CD2 3.82Å; F125-F545 AromaticContact CZ-CE2 3.98Å; F125-F545 HydrophobicContact CZ-CE2 3.98Å
126S90.3Very high89Confident69 Ų6951.6 Ų51.648%0.48326%0.256SS..THydrogen-bonded Turntrans-65.7-13.2173.1-63.90000113.4C122 V124 F139C122-S126 WeakPolarHBondContact O-CB 3.14Å; C122-S126 PolarHBondContact O-N 3.11Å; C122-S126 PolarHBondContact O-OG 3.26Å; V124-S126 VanDerWaalsContact C-N 3.27Å; V124-S126 PolarHBondContact O-N 3.48Å; S126-F139 WeakPolarHBondContact OG-CE2 3.4Å
127K90Very high89Confident73 Ų7347.8 Ų47.832%0.31724%0.237SC..SBendtrans-73.4144.6-175.5-66-64.2172.5-179.70113V124 F125 Q129 M130 T548 L552V124-K127 WeakPolarHBondContact O-CB 3.44Å; V124-K127 WeakPolarHBondContact O-CG 3.33Å; V124-K127 PolarHBondContact O-N 2.87Å; F125-K127 PolarHBondContact O-N 2.77Å; K127-Q129 PolarHBondContact O-N 3.5Å; K127-Q129 VanDerWaalsContact O-N 3.16Å; K127-M130 WeakPolarHBondContact O-CB 3.18Å; K127-M130 PolarHBondContact O-N 3.4Å; K127-T548 HydrophobicContact CB-CG2 3.84Å; K127-T548 HydrophobicContact CG-CG2 3.7Å; K127-L552 HydrophobicContact CD-CD2 4.4Å; K127-L552 HydrophobicContact CG-CD1 4.19Å
128P83.2Confident89Confident73 Ų7346.6 Ų46.647%0.47423%0.229SC..G310 helixtrans-61.5-28.2-176.123.6-32.8000113.2M130 R131P128-M130 PolarHBondContact O-N 2.81Å; P128-R131 WeakPolarHBondContact O-CB 3.38Å; P128-R131 WeakPolarHBondContact O-CG 3.5Å; P128-R131 PolarHBondContact O-N 2.77Å
129Q81.1Confident89.2Confident136 Ų13648.3 Ų48.364%0.63624%0.237SC*.G310 helixtrans-64.6-19.6175.3-61.281.8-0.700112.8K127K127-Q129 PolarHBondContact O-N 3.5Å; K127-Q129 VanDerWaalsContact O-N 3.16Å
130M82.2Confident89.2Confident4 Ų443.8 Ų43.82%0.0222%0.218CC..G310 helixtrans-95.99.8-179.2-67.6-63.9-171.600113.9V124 F125 K127 P128 S132 F135 Q544 F545 T548V124-M130 HydrophobicContact CG1-CE 4.12Å; F125-M130 HydrophobicContact CD1-CG 4.41Å; F125-M130 HydrophobicContact CD1-SD 4.43Å; K127-M130 WeakPolarHBondContact O-CB 3.18Å; K127-M130 PolarHBondContact O-N 3.4Å; P128-M130 PolarHBondContact O-N 2.81Å; M130-S132 PolarHBondContact O-N 3.49Å; M130-F135 WeakPolarHBondContact O-CB 3.24Å; M130-F135 HydrophobicContact SD-CD2 3.94Å; M130-F135 HydrophobicContact SD-CE2 4.02Å; M130-F135 HydrophobicContact SD-CG 4.33Å; M130-F135 HydrophobicContact SD-CZ 4.45Å; M130-Q544 HydrophobicContact CE-CB 3.89Å; M130-Q544 WeakPolarHBondContact CE-O 3.43Å; M130-Q544 HydrophobicContact SD-CB 4.31Å; M130-F545 HydrophobicContact CE-CB 4.11Å; M130-F545 VanDerWaalsContact CE-N 3.34Å; M130-T548 HydrophobicContact CE-CG2 4.45Å; M130-T548 WeakPolarHBondContact CE-OG1 3.48Å
131R81Confident89.3Confident195 Ų19540.5 Ų40.574%0.73620%0.204SC*.  trans-73.175-178.6-70.7178.2177.5-176.90.2112.1P128P128-R131 WeakPolarHBondContact O-CB 3.38Å; P128-R131 WeakPolarHBondContact O-CG 3.5Å; P128-R131 PolarHBondContact O-N 2.77Å
132S84.5Confident89.3Confident29 Ų2940.5 Ų40.520%0.20320%0.204CC..SBendtrans-119.4150.8163.783.50000109.8M130 V134 F135 F136M130-S132 PolarHBondContact O-N 3.49Å; S132-V134 PolarHBondContact O-N 2.95Å; S132-V134 VanDerWaalsContact O-N 3.11Å; S132-V134 PolarHBondContact OG-N 2.97Å; S132-F135 PolarHBondContact O-N 3.44Å; S132-F135 WeakPolarHBondContact OG-CB 3.49Å; S132-F135 WeakPolarHBondContact OG-CD2 3.45Å; S132-F135 WeakPolarHBondContact OG-CG 3.3Å; S132-F135 PolarHBondContact OG-N 3.41Å; S132-F136 WeakPolarHBondContact O-CB 3.34Å; S132-F136 PolarHBondContact O-N 3.06Å
133P85.9Confident89.3Confident39 Ų3942.6 Ų42.625%0.25321%0.214SC..Hα-helixtrans-55.6-29.3176-27.936.5000113.6L137 Q233 C248P133-L137 PolarHBondContact O-N 3.15Å; P133-Q233 PolarHBondContact O-NE2 3Å; P133-Q233 VanDerWaalsContact O-NE2 3.15Å; P133-C248 VanDerWaalsContact CG-O 3.32Å; P133-C248 WeakPolarHBondContact CG-O 3.41Å
134V87.1Confident89.4Confident13 Ų1339.8 Ų39.88%0.07920%0.199CC..Hα-helixtrans-76.4-48178.9173.50000111.2S132 F136 L137 L138 I424 L428S132-V134 PolarHBondContact O-N 2.95Å; S132-V134 VanDerWaalsContact O-N 3.11Å; S132-V134 PolarHBondContact OG-N 2.97Å; V134-F136 PolarHBondContact O-N 2.74Å; V134-L137 PolarHBondContact O-N 2.98Å; V134-L138 PolarHBondContact O-N 3.02Å; V134-I424 HydrophobicContact CG1-CG2 4.49Å; V134-L428 HydrophobicContact CG1-CD1 3.82Å; V134-L428 HydrophobicContact CG1-CD2 4.06Å
135F89.4Confident89.4Confident5 Ų540 Ų402%0.02220%0.2CC..Hα-helixtrans-66.2-29.3176.6-66.8-44.4000111.7F125 M130 S132 L138 F139 I424 Q544F125-F135 HydrophobicContact CD1-CB 4.19Å; F125-F135 HydrophobicContact CD1-CD1 4.22Å; F125-F135 HydrophobicContact CD1-CG 4.4Å; F125-F135 HydrophobicContact CE1-CB 4.42Å; F125-F135 AromaticContact CE1-CD1 3.65Å; F125-F135 HydrophobicContact CE1-CD1 3.65Å; F125-F135 HydrophobicContact CE1-CE1 4.28Å; F125-F135 HydrophobicContact CE1-CG 4.28Å; F125-F135 HydrophobicContact CZ-CD1 4.47Å; M130-F135 WeakPolarHBondContact O-CB 3.24Å; M130-F135 HydrophobicContact SD-CD2 3.94Å; M130-F135 HydrophobicContact SD-CE2 4.02Å; M130-F135 HydrophobicContact SD-CG 4.33Å; M130-F135 HydrophobicContact SD-CZ 4.45Å; S132-F135 PolarHBondContact O-N 3.44Å; S132-F135 WeakPolarHBondContact OG-CB 3.49Å; S132-F135 WeakPolarHBondContact OG-CD2 3.45Å; S132-F135 WeakPolarHBondContact OG-CG 3.3Å; S132-F135 PolarHBondContact OG-N 3.41Å; F135-L138 HydrophobicContact CD1-CD1 4.03Å; F135-L138 PolarHBondContact O-N 3.34Å; F135-F139 VanDerWaalsContact O-CB 3.3Å; F135-F139 WeakPolarHBondContact O-CB 3.5Å; F135-F139 PolarHBondContact O-N 3.35Å; F135-I424 HydrophobicContact CE2-CD1 4.21Å; F135-I424 HydrophobicContact CZ-CD1 3.78Å; F135-I424 HydrophobicContact CZ-CG1 4.25Å; F135-Q544 VanDerWaalsContact CE2-OE1 3.27Å
136F91.5Very high89.4Confident57 Ų5741.3 Ų41.325%0.2521%0.208CC..Hα-helixtrans-66.9-39.1172.5-172.7-120.7000112.4S132 V134 F139 L140 L250 T253S132-F136 WeakPolarHBondContact O-CB 3.34Å; S132-F136 PolarHBondContact O-N 3.06Å; V134-F136 PolarHBondContact O-N 2.74Å; F136-F139 HydrophobicContact CD2-CD1 4.01Å; F136-F139 HydrophobicContact CE2-CD1 4.06Å; F136-F139 HydrophobicContact CE2-CE1 4.48Å; F136-F139 WeakPolarHBondContact O-CB 3.28Å; F136-F139 PolarHBondContact O-N 3.21Å; F136-L140 HydrophobicContact CD1-CD1 4Å; F136-L140 HydrophobicContact CE1-CD1 3.71Å; F136-L140 HydrophobicContact CE1-CG 4.39Å; F136-L140 HydrophobicContact CE2-CG 4.42Å; F136-L140 HydrophobicContact CZ-CD1 4.02Å; F136-L140 HydrophobicContact CZ-CD2 4.27Å; F136-L140 HydrophobicContact CZ-CG 4.26Å; F136-L140 VanDerWaalsContact O-CG 3.29Å; F136-L140 WeakPolarHBondContact O-CG 3.35Å; F136-L140 PolarHBondContact O-N 3.04Å; F136-L250 HydrophobicContact CB-CD1 3.44Å; F136-L250 VanDerWaalsContact CB-CD1 3.44Å; F136-L250 HydrophobicContact CD1-CD1 3.4Å; F136-L250 HydrophobicContact CD1-CG 4.39Å; F136-L250 HydrophobicContact CD2-CD1 3.98Å; F136-L250 HydrophobicContact CE1-CD1 4.1Å; F136-L250 HydrophobicContact CG-CD1 3.33Å; F136-T253 HydrophobicContact CD1-CG2 3.6Å; F136-T253 HydrophobicContact CE1-CG2 4.23Å
137L92.2Very high89.5Confident2 Ų240.9 Ų40.91%0.0120%0.202CC..Hα-helixtrans-63.1-44.6169.8-80.3178.3000112.1P133 V134 F139 L140 I141 L226 L230 Q233 T253P133-L137 PolarHBondContact O-N 3.15Å; V134-L137 PolarHBondContact O-N 2.98Å; L137-F139 PolarHBondContact O-N 2.85Å; L137-L140 PolarHBondContact O-N 3.37Å; L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 2.94Å; L137-L226 HydrophobicContact CD2-CD2 4.02Å; L137-L230 HydrophobicContact CB-CB 4.38Å; L137-L230 HydrophobicContact CB-CD1 4.19Å; L137-L230 HydrophobicContact CD1-CB 3.88Å; L137-Q233 HydrophobicContact CD1-CB 4.37Å; L137-T253 HydrophobicContact CD1-CG2 4.33Å; L137-T253 HydrophobicContact CD2-CG2 3.47Å; L137-T253 VanDerWaalsContact CD2-CG2 3.47Å; L137-T253 HydrophobicContact CG-CG2 3.46Å; L137-T253 VanDerWaalsContact CG-CG2 3.46Å
138L92.3Very high89.6Confident3 Ų338.4 Ų38.42%0.01619%0.192CC..Hα-helixtrans-61.5-35.5176.5-70.9173.1000112.3F125 V134 F135 G142 L230 M427 L428 Y538F125-L138 HydrophobicContact CD2-CB 4.35Å; F125-L138 HydrophobicContact CE2-CB 3.83Å; F125-L138 HydrophobicContact CZ-CB 4Å; F125-L138 HydrophobicContact CZ-CD1 4.06Å; V134-L138 PolarHBondContact O-N 3.02Å; F135-L138 HydrophobicContact CD1-CD1 4.03Å; F135-L138 PolarHBondContact O-N 3.34Å; L138-G142 PolarHBondContact O-N 3.5Å; L138-L230 HydrophobicContact CD2-CD1 3.37Å; L138-L230 HydrophobicContact CG-CD1 3.6Å; L138-M427 HydrophobicContact CD1-CE 4.12Å; L138-L428 HydrophobicContact CD1-CD2 4.08Å; L138-L428 HydrophobicContact CD2-CD2 4.43Å; L138-Y538 HydrophobicContact CD2-CE1 4.46Å; L138-Y538 WeakPolarHBondContact CD2-OH 3.24Å
139F93.5Very high90Very high37 Ų3735 Ų3516%0.16217%0.17CC..Hα-helixtrans-64-47.8172.8174.4-118.1000112C122 F125 S126 F135 F136 L137 G142 I143C122-F139 HydrophobicContact CB-CD2 4.48Å; C122-F139 HydrophobicContact CB-CE2 4.18Å; C122-F139 WeakPolarHBondContact O-CE2 3.35Å; F125-F139 HydrophobicContact CB-CB 3.81Å; F125-F139 HydrophobicContact CB-CD2 3.93Å; F125-F139 HydrophobicContact CB-CG 4.24Å; F125-F139 HydrophobicContact CG-CB 4.5Å; S126-F139 WeakPolarHBondContact OG-CE2 3.4Å; F135-F139 VanDerWaalsContact O-CB 3.3Å; F135-F139 WeakPolarHBondContact O-CB 3.5Å; F135-F139 PolarHBondContact O-N 3.35Å; F136-F139 HydrophobicContact CD2-CD1 4.01Å; F136-F139 HydrophobicContact CE2-CD1 4.06Å; F136-F139 HydrophobicContact CE2-CE1 4.48Å; F136-F139 WeakPolarHBondContact O-CB 3.28Å; F136-F139 PolarHBondContact O-N 3.21Å; L137-F139 PolarHBondContact O-N 2.85Å; F139-G142 PolarHBondContact O-N 3.07Å; F139-G142 VanDerWaalsContact O-N 3.16Å; F139-I143 HydrophobicContact CD1-CD1 3.89Å; F139-I143 HydrophobicContact CD2-CD1 4.27Å; F139-I143 HydrophobicContact CD2-CG1 4.45Å; F139-I143 HydrophobicContact CE1-CD1 3.35Å; F139-I143 HydrophobicContact CE1-CG1 4.45Å; F139-I143 HydrophobicContact CE2-CD1 3.76Å; F139-I143 HydrophobicContact CE2-CG1 4.05Å; F139-I143 HydrophobicContact CG-CD1 4.34Å; F139-I143 HydrophobicContact CZ-CD1 3.3Å; F139-I143 HydrophobicContact CZ-CG1 4.08Å; F139-I143 PolarHBondContact O-N 3.41Å
140L94.5Very high90.5Very high14 Ų1431.9 Ų31.97%0.07316%0.162CC..Hα-helixtrans-63-42177.6-69.4169.3000111.8F136 L137 G142 I143 V144 L226 F257F136-L140 HydrophobicContact CD1-CD1 4Å; F136-L140 HydrophobicContact CE1-CD1 3.71Å; F136-L140 HydrophobicContact CE1-CG 4.39Å; F136-L140 HydrophobicContact CE2-CG 4.42Å; F136-L140 HydrophobicContact CZ-CD1 4.02Å; F136-L140 HydrophobicContact CZ-CD2 4.27Å; F136-L140 HydrophobicContact CZ-CG 4.26Å; F136-L140 VanDerWaalsContact O-CG 3.29Å; F136-L140 WeakPolarHBondContact O-CG 3.35Å; F136-L140 PolarHBondContact O-N 3.04Å; L137-L140 PolarHBondContact O-N 3.37Å; L140-G142 VanDerWaalsContact C-N 3.31Å; L140-G142 PolarHBondContact O-N 3.31Å; L140-I143 PolarHBondContact O-N 3.2Å; L140-V144 VanDerWaalsContact O-CG2 3.28Å; L140-V144 WeakPolarHBondContact O-CG2 3.26Å; L140-V144 PolarHBondContact O-N 3.43Å; L140-L226 HydrophobicContact CB-CD1 4.34Å; L140-F257 HydrophobicContact CB-CD2 4.32Å; L140-F257 HydrophobicContact CD1-CB 3.8Å; L140-F257 HydrophobicContact CD1-CD2 4.2Å; L140-F257 HydrophobicContact CD1-CG 3.95Å; L140-F257 HydrophobicContact CD2-CD1 4.22Å; L140-F257 HydrophobicContact CD2-CD2 4.27Å; L140-F257 HydrophobicContact CD2-CE1 4.36Å; L140-F257 HydrophobicContact CD2-CE2 4.41Å; L140-F257 HydrophobicContact CD2-CG 4.17Å; L140-F257 HydrophobicContact CD2-CZ 4.45Å
141I93.7Very high91Very high7 Ų733.9 Ų33.94%0.03617%0.173CC..Hα-helixtrans-57.3-47.5172-68.1164.6000109.7L137 I143 V144 E145 L226 L230L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 2.94Å; I141-I143 PolarHBondContact O-N 3.07Å; I141-V144 PolarHBondContact O-N 3.46Å; I141-E145 HydrophobicContact CG2-CG 4.24Å; I141-E145 WeakPolarHBondContact O-CB 3.24Å; I141-E145 WeakPolarHBondContact O-CG 3.49Å; I141-E145 PolarHBondContact O-N 3.44Å; I141-L226 HydrophobicContact CD1-CB 4.15Å; I141-L226 HydrophobicContact CG1-CB 3.59Å; I141-L226 HydrophobicContact CG1-CD1 4.22Å; I141-L230 HydrophobicContact CD1-CD1 4.13Å
142G92.4Very high91.4Very high1 Ų124.8 Ų24.81%0.0114%0.139CC..Hα-helixtrans-60.1-40177.200000113.7L138 F139 L140 L146L138-G142 PolarHBondContact O-N 3.5Å; F139-G142 PolarHBondContact O-N 3.07Å; F139-G142 VanDerWaalsContact O-N 3.16Å; L140-G142 VanDerWaalsContact C-N 3.31Å; L140-G142 PolarHBondContact O-N 3.31Å; G142-L146 VanDerWaalsContact O-CB 3.25Å; G142-L146 WeakPolarHBondContact O-CB 3.33Å; G142-L146 PolarHBondContact O-N 2.64Å
143I93.7Very high91.8Very high56 Ų5624.3 Ų24.329%0.28713%0.134SC..Hα-helixtrans-63.8-47.6174.9-71.1166000110.3F139 L140 I141 E145 L146 T147F139-I143 HydrophobicContact CD1-CD1 3.89Å; F139-I143 HydrophobicContact CD2-CD1 4.27Å; F139-I143 HydrophobicContact CD2-CG1 4.45Å; F139-I143 HydrophobicContact CE1-CD1 3.35Å; F139-I143 HydrophobicContact CE1-CG1 4.45Å; F139-I143 HydrophobicContact CE2-CD1 3.76Å; F139-I143 HydrophobicContact CE2-CG1 4.05Å; F139-I143 HydrophobicContact CG-CD1 4.34Å; F139-I143 HydrophobicContact CZ-CD1 3.3Å; F139-I143 HydrophobicContact CZ-CG1 4.08Å; F139-I143 PolarHBondContact O-N 3.41Å; L140-I143 PolarHBondContact O-N 3.2Å; I141-I143 PolarHBondContact O-N 3.07Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.04Å; I143-L146 WeakPolarHBondContact O-CB 3.45Å; I143-L146 PolarHBondContact O-N 3.32Å; I143-T147 PolarHBondContact O-N 2.94Å; I143-T147 PolarHBondContact O-OG1 2.88Å; I143-T147 VanDerWaalsContact O-OG1 3.11Å
144V94.7Very high91.9Very high11 Ų1126.4 Ų26.47%0.06715%0.148CC..Hα-helixtrans-63.7-42.2-178.6173.30000110.8L140 I141 T147 N148 T219 I222 L226 F257L140-V144 VanDerWaalsContact O-CG2 3.28Å; L140-V144 WeakPolarHBondContact O-CG2 3.26Å; L140-V144 PolarHBondContact O-N 3.43Å; I141-V144 PolarHBondContact O-N 3.46Å; V144-T147 PolarHBondContact O-N 3.4Å; V144-N148 WeakPolarHBondContact O-CB 3.37Å; V144-N148 PolarHBondContact O-N 3.2Å; V144-T219 WeakPolarHBondContact CG1-O 3.36Å; V144-I222 HydrophobicContact CG1-CB 4.16Å; V144-I222 HydrophobicContact CG1-CG2 4.14Å; V144-I222 HydrophobicContact CG2-CG2 3.89Å; V144-L226 HydrophobicContact CG2-CD1 4.17Å; V144-F257 HydrophobicContact CG2-CE2 3.92Å
145E91.8Very high91.8Very high5 Ų526.5 Ų26.52%0.02315%0.148CC..Hα-helixtrans-64.2-38.3173.6-70.9177.8170.200111.8N118 I141 I143 N148 C149 Y531 N534N118-E145 WeakPolarHBondContact ND2-CB 3.4Å; I141-E145 HydrophobicContact CG2-CG 4.24Å; I141-E145 WeakPolarHBondContact O-CB 3.24Å; I141-E145 WeakPolarHBondContact O-CG 3.49Å; I141-E145 PolarHBondContact O-N 3.44Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.04Å; E145-N148 PolarHBondContact O-N 2.92Å; E145-C149 PolarHBondContact O-N 3.25Å; E145-Y531 HydrophobicContact CG-CE1 4.46Å; E145-N534 PolarHBondContact OE2-ND2 2.05Å
146L92.4Very high91.7Very high39 Ų3928 Ų2820%0.20415%0.154CC..Hα-helixtrans-63.4-44.9174.6-173.974.3000111.4L115 N118 F119 G142 I143 C149 C150L115-L146 HydrophobicContact CD1-CD1 3.58Å; L115-L146 HydrophobicContact CD1-CG 4.3Å; L115-L146 HydrophobicContact CG-CD1 4.19Å; L115-L146 WeakPolarHBondContact O-CD1 3.44Å; N118-L146 HydrophobicContact CB-CB 4.39Å; N118-L146 HydrophobicContact CB-CD1 4.06Å; F119-L146 HydrophobicContact CB-CD1 4.31Å; G142-L146 VanDerWaalsContact O-CB 3.25Å; G142-L146 WeakPolarHBondContact O-CB 3.33Å; G142-L146 PolarHBondContact O-N 2.64Å; I143-L146 WeakPolarHBondContact O-CB 3.45Å; I143-L146 PolarHBondContact O-N 3.32Å; L146-C149 PolarHBondContact O-N 3.44Å; L146-C150 WeakPolarHBondContact O-CB 3.18Å; L146-C150 PolarHBondContact O-N 3.25Å
147T93Very high91.5Very high59 Ų5928.7 Ų28.736%0.36216%0.159SC..Hα-helixtrans-63.5-42.9176-58.20000111.3I143 V144 C149 C150 L151 T219I143-T147 PolarHBondContact O-N 2.94Å; I143-T147 PolarHBondContact O-OG1 2.88Å; I143-T147 VanDerWaalsContact O-OG1 3.11Å; V144-T147 PolarHBondContact O-N 3.4Å; T147-C149 PolarHBondContact O-N 2.9Å; T147-C149 VanDerWaalsContact O-N 3.17Å; T147-C150 PolarHBondContact O-N 2.9Å; T147-L151 HydrophobicContact CG2-CD1 3.74Å; T147-L151 HydrophobicContact CG2-CG 4.07Å; T147-L151 WeakPolarHBondContact O-CD1 3.09Å; T147-L151 VanDerWaalsContact O-CG 3.23Å; T147-L151 WeakPolarHBondContact O-CG 3.36Å; T147-L151 PolarHBondContact O-N 3.21Å; T147-L151 VanDerWaalsContact O-N 3.08Å; T147-T219 HydrophobicContact CG2-CG2 4.13Å
148N91.4Very high91.1Very high22 Ų2229.9 Ų29.912%0.11817%0.169CC..Hα-helixtrans-56.5-30.9175.9-174.447.9000112.5V144 E145 P152 P216 T219V144-N148 WeakPolarHBondContact O-CB 3.37Å; V144-N148 PolarHBondContact O-N 3.2Å; E145-N148 PolarHBondContact O-N 2.92Å; N148-P152 WeakPolarHBondContact O-CD 3.26Å; N148-P152 WeakPolarHBondContact O-CG 3.39Å; N148-P216 WeakPolarHBondContact OD1-CA 3.39Å; N148-P216 VanDerWaalsContact OD1-CB 3.29Å; N148-P216 WeakPolarHBondContact OD1-CB 3.48Å; N148-P216 PolarHBondContact OD1-O 3.32Å; N148-T219 WeakPolarHBondContact CB-OG1 3.39Å; N148-T219 PolarHBondContact OD1-OG1 3.47Å
149C91.1Very high90.5Very high0 Ų030.9 Ų30.90%017%0.174CC..Hα-helixtrans-86.8-39.2175.9-66.80000113.7M111 V114 E145 L146 T147 L151 P152 L153M111-C149 VanDerWaalsContact CE-CA 3.49Å; M111-C149 HydrophobicContact CE-CB 4.01Å; M111-C149 WeakPolarHBondContact CE-O 3.44Å; M111-C149 HydrophobicContact SD-CB 4.14Å; V114-C149 WeakPolarHBondContact CG1-SG 3.34Å; E145-C149 PolarHBondContact O-N 3.25Å; L146-C149 PolarHBondContact O-N 3.44Å; T147-C149 PolarHBondContact O-N 2.9Å; T147-C149 VanDerWaalsContact O-N 3.17Å; C149-L151 VanDerWaalsContact C-N 3.29Å; C149-L151 PolarHBondContact O-N 3.33Å; C149-P152 WeakPolarHBondContact O-CD 3.35Å; C149-L153 WeakPolarHBondContact O-CB 3.36Å; C149-L153 PolarHBondContact O-N 3.44Å
150C92.5Very high90.1Very high71 Ų7131 Ų3148%0.4818%0.179SC..Hα-helixtrans-65.9-32.1-177.9-174.20000112.8L115 L146 T147 P154L115-C150 HydrophobicContact CD1-CB 4.12Å; L146-C150 WeakPolarHBondContact O-CB 3.18Å; L146-C150 PolarHBondContact O-N 3.25Å; T147-C150 PolarHBondContact O-N 2.9Å; C150-P154 WeakPolarHBondContact O-CD 3.47Å
151L92Very high89.6Confident46 Ų4635.2 Ų35.224%0.24121%0.205CC..THydrogen-bonded Turntrans-65.7-56.6-177.4-73166.1000114.2T147 C149 P154 S211 L215 T219T147-L151 HydrophobicContact CG2-CD1 3.74Å; T147-L151 HydrophobicContact CG2-CG 4.07Å; T147-L151 WeakPolarHBondContact O-CD1 3.09Å; T147-L151 VanDerWaalsContact O-CG 3.23Å; T147-L151 WeakPolarHBondContact O-CG 3.36Å; T147-L151 PolarHBondContact O-N 3.21Å; T147-L151 VanDerWaalsContact O-N 3.08Å; C149-L151 VanDerWaalsContact C-N 3.29Å; C149-L151 PolarHBondContact O-N 3.33Å; L151-P154 WeakPolarHBondContact O-CD 3.44Å; L151-S211 CarbonylContact C-O 3.59Å; L151-S211 WeakPolarHBondContact O-CB 3.31Å; L151-L215 HydrophobicContact CD1-CB 3.49Å; L151-L215 VanDerWaalsContact CD1-CB 3.49Å; L151-L215 HydrophobicContact CD1-CD1 4.23Å; L151-L215 HydrophobicContact CD1-CG 4.48Å; L151-L215 HydrophobicContact CD2-CD1 3.77Å; L151-T219 HydrophobicContact CD1-CG2 4.4Å
152P90.8Very high88.8Confident5 Ų542.7 Ų42.73%0.03223%0.234CC..THydrogen-bonded Turntrans-83.5-15.2-177.235.1-41.6000113.6M111 N148 C149 M155 Y156 S211 T212 P216M111-P152 HydrophobicContact CE-CB 4.42Å; M111-P152 HydrophobicContact CE-CG 3.26Å; N148-P152 WeakPolarHBondContact O-CD 3.26Å; N148-P152 WeakPolarHBondContact O-CG 3.39Å; C149-P152 WeakPolarHBondContact O-CD 3.35Å; P152-M155 WeakPolarHBondContact O-CB 3.48Å; P152-M155 PolarHBondContact O-N 3.47Å; P152-M155 VanDerWaalsContact O-N 3.08Å; P152-Y156 HydrophobicContact CB-CD2 3.89Å; P152-Y156 HydrophobicContact CB-CE2 3.56Å; P152-Y156 HydrophobicContact CG-CD2 4.46Å; P152-Y156 HydrophobicContact CG-CE2 4.17Å; P152-Y156 WeakPolarHBondContact O-CD2 3.49Å; P152-Y156 PolarHBondContact O-N 3.28Å; P152-S211 WeakPolarHBondContact CA-O 3.4Å; P152-S211 WeakPolarHBondContact CB-O 3.29Å; P152-T212 HydrophobicContact CB-CG2 4.14Å; P152-P216 HydrophobicContact CG-CG 4.46Å
153L91.3Very high87.8Confident18 Ų1848.4 Ų48.49%0.09426%0.259CS..Hα-helixtrans-55.9-46.4-176175.167.7000113.6M111 I112 L115 C149 M155 Y156 I157M111-L153 HydrophobicContact CB-CD1 3.86Å; I112-L153 HydrophobicContact CG1-CD1 4.02Å; I112-L153 HydrophobicContact CG1-CD2 4.47Å; L115-L153 HydrophobicContact CD2-CD2 4.05Å; C149-L153 WeakPolarHBondContact O-CB 3.36Å; C149-L153 PolarHBondContact O-N 3.44Å; L153-M155 PolarHBondContact O-N 3Å; L153-Y156 PolarHBondContact O-N 2.89Å; L153-I157 HydrophobicContact CD1-CD1 3.72Å; L153-I157 HydrophobicContact CD1-CG1 3.82Å; L153-I157 HydrophobicContact CD2-CD1 4.33Å; L153-I157 HydrophobicContact CG-CD1 3.71Å; L153-I157 HydrophobicContact CG-CG1 4.22Å; L153-I157 WeakPolarHBondContact O-CG1 3.4Å; L153-I157 PolarHBondContact O-N 2.99Å
154P89.3Confident86.5Confident83 Ų8352.2 Ų52.254%0.53927%0.269SS..Hα-helixtrans-56.5-38.7176.1-26.235000113C150 L151 A158C150-P154 WeakPolarHBondContact O-CD 3.47Å; L151-P154 WeakPolarHBondContact O-CD 3.44Å; P154-A158 WeakPolarHBondContact O-CB 3.32Å; P154-A158 PolarHBondContact O-N 3.49Å
155M85.4Confident84.9Confident15 Ų1553.5 Ų53.57%0.07428%0.277CS..Hα-helixtrans-66.9-47178.5-170.763.254.600111.4P152 L153 A158 Q159 A166 W167 T212P152-M155 WeakPolarHBondContact O-CB 3.48Å; P152-M155 PolarHBondContact O-N 3.47Å; P152-M155 VanDerWaalsContact O-N 3.08Å; L153-M155 PolarHBondContact O-N 3Å; M155-A158 PolarHBondContact O-N 3.35Å; M155-Q159 WeakPolarHBondContact O-CB 3.48Å; M155-Q159 PolarHBondContact O-N 3.4Å; M155-A166 HydrophobicContact SD-CB 3.56Å; M155-A166 VanDerWaalsContact SD-CB 3.56Å; M155-W167 VanDerWaalsContact SD-CD1 3.59Å; M155-T212 HydrophobicContact CB-CG2 3.7Å; M155-T212 HydrophobicContact CG-CG2 3.56Å
156Y86.4Confident83Confident38 Ų3854 Ų5415%0.14928%0.282CS..Hα-helixtrans-69.6-33.8179.7-66.8-48.9000113H103 L107 P152 L153 Q159 S160H103-Y156 AromaticContact CD2-CE1 3.86Å; L107-Y156 HydrophobicContact CD2-CD1 3.97Å; L107-Y156 HydrophobicContact CD2-CD2 3.75Å; L107-Y156 HydrophobicContact CD2-CE1 3.62Å; L107-Y156 HydrophobicContact CD2-CE2 3.33Å; L107-Y156 HydrophobicContact CD2-CG 4.05Å; L107-Y156 HydrophobicContact CG-CD2 4.26Å; L107-Y156 HydrophobicContact CG-CE2 4.16Å; P152-Y156 HydrophobicContact CB-CD2 3.89Å; P152-Y156 HydrophobicContact CB-CE2 3.56Å; P152-Y156 HydrophobicContact CG-CD2 4.46Å; P152-Y156 HydrophobicContact CG-CE2 4.17Å; P152-Y156 WeakPolarHBondContact O-CD2 3.49Å; P152-Y156 PolarHBondContact O-N 3.28Å; L153-Y156 PolarHBondContact O-N 2.89Å; Y156-Q159 PolarHBondContact O-N 2.95Å; Y156-S160 WeakPolarHBondContact O-CB 3.36Å; Y156-S160 PolarHBondContact O-N 3.32Å
157I88.1Confident81.2Confident71 Ų7158.3 Ų58.336%0.36430%0.296SS..Hα-helixtrans-63.4-48.7172-71.5173.2000110.2L153 Q159 S160 V161L153-I157 HydrophobicContact CD1-CD1 3.72Å; L153-I157 HydrophobicContact CD1-CG1 3.82Å; L153-I157 HydrophobicContact CD2-CD1 4.33Å; L153-I157 HydrophobicContact CG-CD1 3.71Å; L153-I157 HydrophobicContact CG-CG1 4.22Å; L153-I157 WeakPolarHBondContact O-CG1 3.4Å; L153-I157 PolarHBondContact O-N 2.99Å; I157-Q159 VanDerWaalsContact C-N 3.27Å; I157-Q159 PolarHBondContact O-N 3.15Å; I157-S160 WeakPolarHBondContact O-CA 3.47Å; I157-S160 VanDerWaalsContact O-CB 3.26Å; I157-S160 WeakPolarHBondContact O-CB 3.07Å; I157-S160 PolarHBondContact O-N 2.94Å; I157-S160 VanDerWaalsContact O-N 3.09Å; I157-V161 HydrophobicContact CG2-CG2 4.48Å; I157-V161 WeakPolarHBondContact O-CG2 3.23Å; I157-V161 PolarHBondContact O-N 3.44Å
158A83.4Confident79.5Confident26 Ų2657.6 Ų57.622%0.21529%0.287CS..Hα-helixtrans-62.4-39.2178.800000111P154 M155 S160 V161 Y162 A166P154-A158 WeakPolarHBondContact O-CB 3.32Å; P154-A158 PolarHBondContact O-N 3.49Å; M155-A158 PolarHBondContact O-N 3.35Å; A158-S160 VanDerWaalsContact C-N 3.32Å; A158-S160 PolarHBondContact O-N 3.39Å; A158-V161 PolarHBondContact O-N 3.22Å; A158-Y162 HydrophobicContact CB-CD2 4.43Å; A158-Y162 WeakPolarHBondContact O-CD2 3.38Å; A158-Y162 PolarHBondContact O-N 3.17Å; A158-A166 HydrophobicContact CB-CB 3.37Å
159Q79.7Confident77.7Confident25 Ų2559.2 Ų59.212%0.11730%0.297CS..Hα-helixtrans-61.7-39.4172.6177.1170.5-1.300113.1M155 Y156 I157 K163 R164M155-Q159 WeakPolarHBondContact O-CB 3.48Å; M155-Q159 PolarHBondContact O-N 3.4Å; Y156-Q159 PolarHBondContact O-N 2.95Å; I157-Q159 VanDerWaalsContact C-N 3.27Å; I157-Q159 PolarHBondContact O-N 3.15Å; Q159-K163 VanDerWaalsContact O-CA 3.25Å; Q159-K163 WeakPolarHBondContact O-CA 3.3Å; Q159-K163 PolarHBondContact O-N 3.01Å; Q159-R164 WeakPolarHBondContact CA-O 3.29Å; Q159-R164 PolarHBondContact O-N 2.92Å
160S84.2Confident75.9Confident38 Ų3865.5 Ų65.527%0.26633%0.331SS..Hα-helixtrans-60.6-46.1175.1-167.30000112.2T104 Y156 I157 A158T104-S160 WeakPolarHBondContact O-CB 3.47Å; T104-S160 PolarHBondContact O-OG 3.39Å; Y156-S160 WeakPolarHBondContact O-CB 3.36Å; Y156-S160 PolarHBondContact O-N 3.32Å; I157-S160 WeakPolarHBondContact O-CA 3.47Å; I157-S160 VanDerWaalsContact O-CB 3.26Å; I157-S160 WeakPolarHBondContact O-CB 3.07Å; I157-S160 PolarHBondContact O-N 2.94Å; I157-S160 VanDerWaalsContact O-N 3.09Å; A158-S160 VanDerWaalsContact C-N 3.32Å; A158-S160 PolarHBondContact O-N 3.39Å
161V84.5Confident74.2Confident104 Ų10463.7 Ų63.763%0.6332%0.316SS*.Hα-helixtrans-70.6-47-177.2173.60000111.7I157 A158 K163I157-V161 HydrophobicContact CG2-CG2 4.48Å; I157-V161 WeakPolarHBondContact O-CG2 3.23Å; I157-V161 PolarHBondContact O-N 3.44Å; A158-V161 PolarHBondContact O-N 3.22Å; V161-K163 VanDerWaalsContact C-N 3.34Å
162Y77Confident72.4Confident164 Ų16463.8 Ų63.864%0.64332%0.32SS*.Hα-helixtrans-85.2-5.8-177.6-65-68.2000113.7A158 R164A158-Y162 HydrophobicContact CB-CD2 4.43Å; A158-Y162 WeakPolarHBondContact O-CD2 3.38Å; A158-Y162 PolarHBondContact O-N 3.17Å; Y162-R164 PolarHBondContact O-N 3.48Å; Y162-R164 VanDerWaalsContact O-N 3.14Å
163K71.9Confident70.6Confident121 Ų12170.2 Ų70.253%0.52635%0.352SS..THydrogen-bonded Turntrans51.430.7-173.7-61-174.5177.9-176.40113.4T104 Q159 V161T104-K163 HydrophobicContact CG2-CG 4.48Å; Q159-K163 VanDerWaalsContact O-CA 3.25Å; Q159-K163 WeakPolarHBondContact O-CA 3.3Å; Q159-K163 PolarHBondContact O-N 3.01Å; V161-K163 VanDerWaalsContact C-N 3.34Å
164R64.8Low68.8Low135 Ų13577.1 Ų77.151%0.50938%0.382SS..SBendtrans-153.3147.2-171.6-81.3-160.3-166.4-152.13.7107.9Q159 Y162 A166Q159-R164 WeakPolarHBondContact CA-O 3.29Å; Q159-R164 PolarHBondContact O-N 2.92Å; Y162-R164 PolarHBondContact O-N 3.48Å; Y162-R164 VanDerWaalsContact O-N 3.14Å; R164-A166 PolarHBondContact O-N 3.49Å
165T63Low67.9Low38 Ų3876.9 Ų76.923%0.23338%0.376CS..  trans-54.4136.4173.184.30000109.8W167 W168T165-W167 PolarHBondContact O-N 3.46Å; T165-W168 HydrophobicContact CG2-CZ2 3.74Å; T165-W168 PolarHBondContact O-NE1 3.13Å; T165-W168 WeakPolarHBondContact OG1-CH2 3.27Å; T165-W168 WeakPolarHBondContact OG1-CZ2 3.25Å; T165-W168 PolarHBondContact OG1-NE1 3.48Å
166A50.9Low67.8Low16 Ų1678.1 Ų78.113%0.13238%0.381CS..THydrogen-bonded Turntrans-70.67.8-148.700000118.2M155 A158 R164M155-A166 HydrophobicContact SD-CB 3.56Å; M155-A166 VanDerWaalsContact SD-CB 3.56Å; A158-A166 HydrophobicContact CB-CB 3.37Å; R164-A166 PolarHBondContact O-N 3.49Å
167W55.5Low67.7Low129 Ų12980 Ų8049%0.48940%0.397SS..THydrogen-bonded Turntrans-139.935.4-173.6-59.399.9000115.1M155 T165 T169 S199 A204M155-W167 VanDerWaalsContact SD-CD1 3.59Å; T165-W167 PolarHBondContact O-N 3.46Å; W167-T169 PolarHBondContact O-N 2.91Å; W167-S199 PolarHBondContact O-OG 3.29Å; W167-A204 HydrophobicContact CB-CB 3.67Å; W167-A204 HydrophobicContact CD2-CB 3.7Å; W167-A204 HydrophobicContact CE3-CB 3.86Å; W167-A204 HydrophobicContact CG-CB 3.63Å
168W55.6Low67.5Low44 Ų4480.9 Ų80.917%0.16740%0.401CS..  trans-74.4117.4156.6-3194.3000106.7P88 Y94 T165 Q197P88-W168 HydrophobicContact CG-CH2 3.36Å; P88-W168 HydrophobicContact CG-CZ2 4.25Å; P88-W168 HydrophobicContact CG-CZ3 3.83Å; Y94-W168 HydrophobicContact CE2-CZ2 4.26Å; Y94-W168 WeakPolarHBondContact OH-CZ2 3.47Å; T165-W168 HydrophobicContact CG2-CZ2 3.74Å; T165-W168 PolarHBondContact O-NE1 3.13Å; T165-W168 WeakPolarHBondContact OG1-CH2 3.27Å; T165-W168 WeakPolarHBondContact OG1-CZ2 3.25Å; T165-W168 PolarHBondContact OG1-NE1 3.48Å; W168-Q197 WeakPolarHBondContact CH2-O 3.26Å; W168-Q197 WeakPolarHBondContact CZ3-O 3.33Å
169T54.4Low67.7Low56 Ų5679.7 Ų79.734%0.34439%0.391SS..  trans-55148.1142.867.90000105.5W167 L171 D200W167-T169 PolarHBondContact O-N 2.91Å; T169-L171 PolarHBondContact O-N 3.35Å; T169-D200 WeakPolarHBondContact CG2-OD1 3.15Å; T169-D200 PolarHBondContact OG1-OD1 2.83Å; T169-D200 PolarHBondContact OG1-OD2 3.5Å
170N54.4Low68.1Low132 Ų13285 Ų8571%0.70641%0.414SS*.  trans-58.5102.7155.1-71-37.9000103.5P172N170-P172 VanDerWaalsContact C-N 3.28Å; N170-P172 WeakPolarHBondContact O-CA 3.18Å; N170-P172 WeakPolarHBondContact O-CD 3.2Å
171L56.7Low68.2Low33 Ų3388.4 Ų88.417%0.17343%0.429CS..  trans-50108.6168-91.889.1000103.1T169 I173 F176 Y196 D200T169-L171 PolarHBondContact O-N 3.35Å; L171-I173 PolarHBondContact O-N 3.34Å; L171-F176 HydrophobicContact CB-CE2 3.83Å; L171-F176 HydrophobicContact CB-CZ 4.36Å; L171-F176 HydrophobicContact CD2-CE2 3.97Å; L171-F176 HydrophobicContact CD2-CZ 3.64Å; L171-Y196 HydrophobicContact CD2-CD1 4.16Å; L171-D200 HydrophobicContact CD1-CB 4.48Å
172P52.6Low68.3Low49 Ų4986.1 Ų86.132%0.31841%0.413SS..  trans-66.4125.3-163.522.4-30000104.7N170 K174 N175N170-P172 VanDerWaalsContact C-N 3.28Å; N170-P172 WeakPolarHBondContact O-CA 3.18Å; N170-P172 WeakPolarHBondContact O-CD 3.2Å; P172-K174 HydrophobicContact CB-CB 4.43Å; P172-K174 PolarHBondContact O-N 3.11Å; P172-N175 HydrophobicContact CG-CB 4.09Å; P172-N175 VanDerWaalsContact CG-CG 3.48Å; P172-N175 WeakPolarHBondContact CG-ND2 3.44Å; P172-N175 WeakPolarHBondContact O-CB 3.4Å; P172-N175 PolarHBondContact O-N 3.49Å
173I54.1Low68.7Low139 Ų13978.5 Ų78.571%0.71338%0.383SS*.Hα-helixtrans-49.3-27.3175.5-65.8161.8000110.2L171 N175 F176 T177L171-I173 PolarHBondContact O-N 3.34Å; I173-N175 PolarHBondContact O-N 3.35Å; I173-F176 PolarHBondContact O-N 3.24Å; I173-T177 PolarHBondContact O-N 3.3Å
174K52.6Low69.3Low163 Ų16377 Ų7771%0.70938%0.381SS*.Hα-helixtrans-58.8-35171.5-62.9-174177.7-1770114.9P172 F176 T177 I178P172-K174 HydrophobicContact CB-CB 4.43Å; P172-K174 PolarHBondContact O-N 3.11Å; K174-F176 VanDerWaalsContact C-N 3.34Å; K174-T177 PolarHBondContact O-OG1 2.96Å; K174-I178 WeakPolarHBondContact O-CD1 3.29Å; K174-I178 VanDerWaalsContact O-CG1 3.3Å; K174-I178 WeakPolarHBondContact O-CG1 3.49Å; K174-I178 PolarHBondContact O-N 2.81Å
175N70.8Confident70.1Confident78 Ų7875.6 Ų75.642%0.41738%0.383SS..Hα-helixtrans-69.2-35.3177.1-776.5000111.2P172 I173 A179P172-N175 HydrophobicContact CG-CB 4.09Å; P172-N175 VanDerWaalsContact CG-CG 3.48Å; P172-N175 WeakPolarHBondContact CG-ND2 3.44Å; P172-N175 WeakPolarHBondContact O-CB 3.4Å; P172-N175 PolarHBondContact O-N 3.49Å; I173-N175 PolarHBondContact O-N 3.35Å; N175-A179 WeakPolarHBondContact O-CB 3.32Å; N175-A179 PolarHBondContact O-N 2.92Å
176F83.4Confident71Confident42 Ų4274.1 Ų74.118%0.18437%0.374CS..Hα-helixtrans-67.6-41.3178.4-70.8-78.6000112.8L171 I173 K174 A179 K180 L190 Y196 P313L171-F176 HydrophobicContact CB-CE2 3.83Å; L171-F176 HydrophobicContact CB-CZ 4.36Å; L171-F176 HydrophobicContact CD2-CE2 3.97Å; L171-F176 HydrophobicContact CD2-CZ 3.64Å; I173-F176 PolarHBondContact O-N 3.24Å; K174-F176 VanDerWaalsContact C-N 3.34Å; F176-A179 PolarHBondContact O-N 3.16Å; F176-K180 VanDerWaalsContact O-CB 3.3Å; F176-K180 WeakPolarHBondContact O-CB 3.45Å; F176-K180 PolarHBondContact O-N 3.34Å; F176-L190 HydrophobicContact CD1-CD1 4.05Å; F176-Y196 AromaticContact CE1-CD1 3.81Å; F176-Y196 HydrophobicContact CE1-CD1 3.81Å; F176-Y196 AromaticContact CE1-CD2 3.74Å; F176-Y196 HydrophobicContact CE1-CD2 3.74Å; F176-Y196 HydrophobicContact CE1-CE1 4.08Å; F176-Y196 HydrophobicContact CE1-CE2 4.02Å; F176-Y196 AromaticContact CE1-CG 3.61Å; F176-Y196 HydrophobicContact CE1-CG 3.61Å; F176-Y196 AromaticContact CZ-CD1 3.93Å; F176-Y196 HydrophobicContact CZ-CD1 3.93Å; F176-Y196 HydrophobicContact CZ-CD2 4.25Å; F176-Y196 AromaticContact CZ-CG 3.71Å; F176-Y196 HydrophobicContact CZ-CG 3.71Å; F176-P313 HydrophobicContact CD1-CG 4.23Å; F176-P313 HydrophobicContact CE1-CB 4.2Å; F176-P313 HydrophobicContact CE1-CG 3.99Å; F176-P313 HydrophobicContact CZ-CB 4.46Å
177T84.2Confident72.5Confident78 Ų7874.2 Ų74.248%0.47937%0.371SS..Hα-helixtrans-66.2-42178.456.20000111.6I173 K174 N181I173-T177 PolarHBondContact O-N 3.3Å; K174-T177 PolarHBondContact O-OG1 2.96Å; T177-N181 VanDerWaalsContact O-CG 3.27Å; T177-N181 PolarHBondContact O-N 2.79Å; T177-N181 VanDerWaalsContact O-N 3.07Å; T177-N181 PolarHBondContact O-ND2 3.36Å
178I84.6Confident74Confident89 Ų8968.1 Ų68.146%0.45635%0.348SS..Hα-helixtrans-63.3-48.2175.4-65.4167.8000110.5K174 K180 N181 L182K174-I178 WeakPolarHBondContact O-CD1 3.29Å; K174-I178 VanDerWaalsContact O-CG1 3.3Å; K174-I178 WeakPolarHBondContact O-CG1 3.49Å; K174-I178 PolarHBondContact O-N 2.81Å; I178-K180 PolarHBondContact O-N 3.05Å; I178-N181 PolarHBondContact O-N 3.32Å; I178-L182 HydrophobicContact CG2-CD1 4.02Å; I178-L182 HydrophobicContact CG2-CG 4.46Å; I178-L182 WeakPolarHBondContact O-CG 3.36Å; I178-L182 PolarHBondContact O-N 3.34Å
179A86.5Confident75.5Confident0 Ų068.9 Ų68.90%035%0.354CS..Hα-helixtrans-61.6-43.1179.400000112.2N175 F176 N181 L182 L183 L190 L312N175-A179 WeakPolarHBondContact O-CB 3.32Å; N175-A179 PolarHBondContact O-N 2.92Å; F176-A179 PolarHBondContact O-N 3.16Å; A179-N181 VanDerWaalsContact C-N 3.33Å; A179-N181 PolarHBondContact O-N 2.83Å; A179-L182 PolarHBondContact O-N 3.12Å; A179-L183 WeakPolarHBondContact O-CB 3.48Å; A179-L183 VanDerWaalsContact O-CG 3.31Å; A179-L183 WeakPolarHBondContact O-CG 3.28Å; A179-L183 PolarHBondContact O-N 3.32Å; A179-L190 HydrophobicContact CB-CD1 4.18Å; A179-L190 HydrophobicContact CB-CD2 4.15Å; A179-L312 HydrophobicContact CB-CD2 3.94Å
180K87.9Confident77.1Confident138 Ų13867.7 Ų67.760%0.635%0.345SS*.Hα-helixtrans-59.8-42.8175.4-171.8172.5-176.8173.70111.7F176 I178 L183 N184F176-K180 VanDerWaalsContact O-CB 3.3Å; F176-K180 WeakPolarHBondContact O-CB 3.45Å; F176-K180 PolarHBondContact O-N 3.34Å; I178-K180 PolarHBondContact O-N 3.05Å; K180-L183 PolarHBondContact O-N 3.21Å; K180-N184 VanDerWaalsContact O-CG 3.3Å; K180-N184 PolarHBondContact O-N 3.42Å; K180-N184 VanDerWaalsContact O-N 3.1Å; K180-N184 PolarHBondContact O-OD1 3.37Å; K180-N184 VanDerWaalsContact O-OD1 3.13Å
181N86.6Confident78.7Confident108 Ų10861.6 Ų61.658%0.57831%0.313SS*.Hα-helixtrans-64.9-40.5176.9-72.2-14.5000112.5T177 I178 A179 L183 N184T177-N181 VanDerWaalsContact O-CG 3.27Å; T177-N181 PolarHBondContact O-N 2.79Å; T177-N181 VanDerWaalsContact O-N 3.07Å; T177-N181 PolarHBondContact O-ND2 3.36Å; I178-N181 PolarHBondContact O-N 3.32Å; A179-N181 VanDerWaalsContact C-N 3.33Å; A179-N181 PolarHBondContact O-N 2.83Å; N181-L183 VanDerWaalsContact C-N 3.34Å; N181-N184 PolarHBondContact O-N 3.04Å
182L86Confident79.9Confident57 Ų5762.5 Ų62.530%0.29832%0.321SS..Hα-helixtrans-65.8-36.5176.1-70172.3000112.2I178 A179 I308 N311I178-L182 HydrophobicContact CG2-CD1 4.02Å; I178-L182 HydrophobicContact CG2-CG 4.46Å; I178-L182 WeakPolarHBondContact O-CG 3.36Å; I178-L182 PolarHBondContact O-N 3.34Å; A179-L182 PolarHBondContact O-N 3.12Å; L182-I308 HydrophobicContact CB-CB 4.5Å; L182-I308 HydrophobicContact CB-CG2 4.26Å; L182-I308 HydrophobicContact CD2-CG2 4.43Å; L182-N311 HydrophobicContact CD1-CB 3.56Å
183L86.8Confident81.2Confident3 Ų366 Ų662%0.01634%0.337CS..Hα-helixtrans-77.6-17.5180-74.1166.4000113.9A179 K180 N181 N185 T186 W188 L190 K285 I308 L312A179-L183 WeakPolarHBondContact O-CB 3.48Å; A179-L183 VanDerWaalsContact O-CG 3.31Å; A179-L183 WeakPolarHBondContact O-CG 3.28Å; A179-L183 PolarHBondContact O-N 3.32Å; K180-L183 PolarHBondContact O-N 3.21Å; N181-L183 VanDerWaalsContact C-N 3.34Å; L183-N185 PolarHBondContact O-N 2.91Å; L183-T186 PolarHBondContact O-N 3.34Å; L183-T186 PolarHBondContact O-OG1 3.38Å; L183-W188 HydrophobicContact CD2-CB 3.73Å; L183-L190 HydrophobicContact CD1-CD2 3.6Å; L183-L190 HydrophobicContact CD1-CG 3.62Å; L183-K285 PolarHBondContact O-NZ 3.05Å; L183-I308 HydrophobicContact CD2-CD1 3.57Å; L183-I308 HydrophobicContact CG-CD1 4.11Å; L183-L312 HydrophobicContact CD1-CD2 3.69Å; L183-L312 HydrophobicContact CD2-CD2 4.18Å; L183-L312 HydrophobicContact CG-CD2 3.89Å
184N83.5Confident82.1Confident89 Ų8963 Ų6348%0.47632%0.322SS..THydrogen-bonded Turntrans-54.6-38.4179.3-78.5-15.5000112.6K180 N181 T186 K285K180-N184 VanDerWaalsContact O-CG 3.3Å; K180-N184 PolarHBondContact O-N 3.42Å; K180-N184 VanDerWaalsContact O-N 3.1Å; K180-N184 PolarHBondContact O-OD1 3.37Å; K180-N184 VanDerWaalsContact O-OD1 3.13Å; N181-N184 PolarHBondContact O-N 3.04Å; N184-T186 VanDerWaalsContact C-N 3.28Å; N184-T186 PolarHBondContact O-N 3.07Å; N184-K285 PolarHBondContact O-NZ 3.35Å
185N82.5Confident83.2Confident106 Ų10658.7 Ų58.757%0.56730%0.302SS*.THydrogen-bonded Turntrans-88.213.7179.5-67-2.3000113.8L183 V302 Q303L183-N185 PolarHBondContact O-N 2.91Å; N185-V302 WeakPolarHBondContact O-CA 3.39Å; N185-V302 WeakPolarHBondContact O-CG1 3.37Å; N185-Q303 PolarHBondContact O-N 2.77Å
186T82.6Confident83.6Confident7 Ų755.7 Ų55.74%0.04329%0.285CS..SBendtrans-121.8171.6179.276.40000111.1L183 N184 W188 K285 Q303 I308L183-T186 PolarHBondContact O-N 3.34Å; L183-T186 PolarHBondContact O-OG1 3.38Å; N184-T186 VanDerWaalsContact C-N 3.28Å; N184-T186 PolarHBondContact O-N 3.07Å; T186-W188 PolarHBondContact O-N 2.92Å; T186-W188 PolarHBondContact OG1-N 3.18Å; T186-W188 PolarHBondContact OG1-O 2.99Å; T186-K285 WeakPolarHBondContact O-CE 3.27Å; T186-K285 PolarHBondContact O-NZ 3.44Å; T186-Q303 HydrophobicContact CG2-CB 4.27Å; T186-Q303 VanDerWaalsContact CG2-O 3.28Å; T186-Q303 WeakPolarHBondContact CG2-O 3.2Å; T186-I308 HydrophobicContact CG2-CD1 3.6Å
187Y81.7Confident83Confident18 Ų1857.3 Ų57.37%0.07129%0.294CS..SBendtrans-820.7172.8-63.9-74.7000113.5I19 K285 I288 L293 N296 V302I19-Y187 HydrophobicContact CD1-CD2 3.51Å; I19-Y187 HydrophobicContact CD1-CE2 4.44Å; I19-Y187 HydrophobicContact CD1-CG 3.83Å; I19-Y187 HydrophobicContact CG2-CG 4.38Å; Y187-K285 PolarHBondContact O-N 2.67Å; Y187-I288 HydrophobicContact CD1-CD1 4.15Å; Y187-I288 HydrophobicContact CD1-CG1 4.07Å; Y187-I288 HydrophobicContact CD1-CG2 4.05Å; Y187-I288 HydrophobicContact CE1-CG2 4.29Å; Y187-L293 HydrophobicContact CE1-CD2 4.41Å; Y187-L293 HydrophobicContact CE2-CD2 4.38Å; Y187-N296 PolarHBondContact OH-ND2 3.48Å; Y187-V302 HydrophobicContact CD2-CG1 4.19Å; Y187-V302 HydrophobicContact CE2-CG1 3.78Å
188W86.6Confident82.5Confident1 Ų153.7 Ų53.70%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-105152.1-175.3-60.897.2000111.5E15 F18 F32 V74 L183 T186 I282 L284 K285 L305E15-W188 PolarHBondContact OE1-NE1 3.01Å; F18-W188 HydrophobicContact CD1-CH2 4.45Å; F18-W188 HydrophobicContact CD1-CZ2 4.09Å; F18-W188 AromaticContact CE1-CH2 3.5Å; F18-W188 HydrophobicContact CE1-CH2 3.5Å; F18-W188 VanDerWaalsContact CE1-CH2 3.5Å; F18-W188 AromaticContact CE1-CZ2 3.54Å; F18-W188 HydrophobicContact CE1-CZ2 3.54Å; F18-W188 HydrophobicContact CZ-CH2 4.19Å; F32-W188 HydrophobicContact CB-CH2 4.44Å; F32-W188 HydrophobicContact CB-CZ3 4.09Å; F32-W188 HydrophobicContact CD2-CH2 4.24Å; F32-W188 AromaticContact CD2-CZ3 3.76Å; F32-W188 HydrophobicContact CD2-CZ3 3.76Å; F32-W188 HydrophobicContact CE2-CZ3 4.46Å; F32-W188 HydrophobicContact CG-CH2 4.28Å; F32-W188 HydrophobicContact CG-CZ3 4.07Å; V74-W188 HydrophobicContact CG1-CH2 3.95Å; V74-W188 HydrophobicContact CG2-CZ2 4.45Å; L183-W188 HydrophobicContact CD2-CB 3.73Å; T186-W188 PolarHBondContact O-N 2.92Å; T186-W188 PolarHBondContact OG1-N 3.18Å; T186-W188 PolarHBondContact OG1-O 2.99Å; W188-I282 HydrophobicContact CD2-CD1 3.84Å; W188-I282 HydrophobicContact CE3-CB 4.08Å; W188-I282 HydrophobicContact CE3-CD1 3.49Å; W188-I282 VanDerWaalsContact CE3-CD1 3.49Å; W188-I282 HydrophobicContact CE3-CG1 3.77Å; W188-I282 HydrophobicContact CH2-CD1 4.05Å; W188-I282 HydrophobicContact CZ2-CD1 4.38Å; W188-I282 HydrophobicContact CZ3-CD1 3.61Å; W188-I282 HydrophobicContact CZ3-CG1 3.83Å; W188-L284 HydrophobicContact CD2-CD2 3.83Å; W188-L284 HydrophobicContact CE3-CD2 3.68Å; W188-L284 HydrophobicContact CE3-CG 3.96Å; W188-L284 HydrophobicContact CH2-CD2 3.94Å; W188-L284 HydrophobicContact CH2-CG 4.16Å; W188-L284 HydrophobicContact CZ2-CD2 4.05Å; W188-L284 HydrophobicContact CZ3-CD2 3.75Å; W188-L284 HydrophobicContact CZ3-CG 3.72Å; W188-K285 VanDerWaalsContact O-CE 3.26Å; W188-K285 WeakPolarHBondContact O-CE 3.42Å; W188-L305 HydrophobicContact CD2-CD2 4.36Å; W188-L305 HydrophobicContact CG-CD1 4.25Å; W188-L305 HydrophobicContact CZ2-CD2 4.16Å
189E87.7Confident82.1Confident60 Ų6049.7 Ų49.728%0.2825%0.251SS..EExtended strand (participates in β ladder)trans-132165.9166.166.4-176.8-17600110Q283 K285E189-Q283 HydrophobicContact CG-CG 3.31Å; E189-Q283 PolarHBondContact N-O 3.4Å; E189-Q283 PolarHBondContact O-N 3.31Å; E189-Q283 PolarHBondContact OE1-NE2 3.06Å; E189-K285 HydrophobicContact CB-CG 4.08Å; E189-K285 HydrophobicContact CG-CG 4.28Å
190L88.4Confident81.8Confident31 Ų3151.8 Ų51.816%0.16226%0.262CS..EExtended strand (participates in β ladder)trans-68143.5176.9-64.2169000109.5F176 A179 L183 Y196 Q283 L312 P313F176-L190 HydrophobicContact CD1-CD1 4.05Å; A179-L190 HydrophobicContact CB-CD1 4.18Å; A179-L190 HydrophobicContact CB-CD2 4.15Å; L183-L190 HydrophobicContact CD1-CD2 3.6Å; L183-L190 HydrophobicContact CD1-CG 3.62Å; L190-Y196 HydrophobicContact CB-CE2 4.44Å; L190-Y196 WeakPolarHBondContact CD2-OH 3.3Å; L190-Q283 PolarHBondContact O-NE2 2.86Å; L190-L312 HydrophobicContact CD2-CD2 4.33Å; L190-P313 HydrophobicContact CD2-CG 3.78Å
191A86.6Confident81.6Confident4 Ų448.2 Ų48.23%0.03325%0.25CC..PPolyproline II helixtrans-57165.4168.500000112.1I31 Y195 Y196 P281I31-A191 HydrophobicContact CG2-CB 4.5Å; A191-Y195 HydrophobicContact CB-CD2 4.31Å; A191-Y195 HydrophobicContact CB-CG 4.22Å; A191-Y196 HydrophobicContact CB-CE2 4.31Å; A191-Y196 WeakPolarHBondContact O-CE2 3.47Å; A191-P281 HydrophobicContact CB-CB 3.73Å; A191-P281 HydrophobicContact CB-CG 4.31Å; A191-P281 WeakPolarHBondContact CB-O 3.49Å; A191-P281 PolarHBondContact N-O 3.06Å
192P82.8Confident81.6Confident52 Ų5246.7 Ų46.734%0.33824%0.24SC..PPolyproline II helixtrans-55.5149.4175.9-24.935.6000112.3D194 Y195P192-D194 PolarHBondContact O-N 3.35Å; P192-Y195 HydrophobicContact CB-CD2 4.38Å; P192-Y195 HydrophobicContact CG-CD2 4.49Å; P192-Y195 PolarHBondContact O-N 3.36Å
193N78.8Confident81.7Confident124 Ų12449.7 Ų49.766%0.66326%0.255SS*.G310 helixtrans-54.7-24.8-177.1-73.9-22.3000113.7Y195 Y196N193-Y195 VanDerWaalsContact C-N 3.28Å; N193-Y195 PolarHBondContact O-N 3.29Å; N193-Y196 PolarHBondContact O-N 3.41Å; N193-Y196 VanDerWaalsContact O-N 3.08Å
194D73.4Confident81.6Confident74 Ų7449.9 Ų49.940%0.39626%0.257SS..G310 helixtrans-58.4-36.3177.8-66.3-30.7000113.1F90 P192 Y196 Q197F90-D194 HydrophobicContact CD2-CB 4.47Å; F90-D194 WeakPolarHBondContact CD2-O 3.38Å; F90-D194 HydrophobicContact CE1-CB 4.22Å; F90-D194 HydrophobicContact CE2-CB 3.6Å; F90-D194 VanDerWaalsContact CE2-O 3.22Å; F90-D194 WeakPolarHBondContact CE2-O 3.2Å; F90-D194 HydrophobicContact CZ-CB 3.46Å; F90-D194 VanDerWaalsContact CZ-CB 3.46Å; P192-D194 PolarHBondContact O-N 3.35Å; D194-Y196 PolarHBondContact O-N 3.28Å; D194-Q197 PolarHBondContact O-N 2.87Å; D194-Q197 PolarHBondContact OD1-NE2 2.95Å
195Y76.4Confident81.7Confident74 Ų7445.8 Ų45.829%0.2924%0.235SC..G310 helixtrans-65.1-27.2177.3-77.6-98.3000112.7I31 Y33 A191 P192 N193 T198 P281I31-Y195 HydrophobicContact CD1-CD2 4.1Å; I31-Y195 HydrophobicContact CD1-CE1 4.06Å; I31-Y195 HydrophobicContact CD1-CE2 3.22Å; I31-Y195 WeakPolarHBondContact CD1-OH 3.22Å; I31-Y195 HydrophobicContact CG2-CD1 4.47Å; I31-Y195 HydrophobicContact CG2-CE1 4.02Å; Y33-Y195 WeakPolarHBondContact OH-CE1 3.25Å; A191-Y195 HydrophobicContact CB-CD2 4.31Å; A191-Y195 HydrophobicContact CB-CG 4.22Å; P192-Y195 HydrophobicContact CB-CD2 4.38Å; P192-Y195 HydrophobicContact CG-CD2 4.49Å; P192-Y195 PolarHBondContact O-N 3.36Å; N193-Y195 VanDerWaalsContact C-N 3.28Å; N193-Y195 PolarHBondContact O-N 3.29Å; Y195-T198 PolarHBondContact O-OG1 2.98Å; Y195-P281 HydrophobicContact CD1-CB 4.31Å
196Y77.9Confident82.1Confident14 Ų1443.9 Ų43.96%0.05522%0.223CC..G310 helixtrans-92.88.9-176.4-60.8-77.2000113.9L171 F176 L190 A191 N193 D194 T198 P281 P313 I315L171-Y196 HydrophobicContact CD2-CD1 4.16Å; F176-Y196 AromaticContact CE1-CD1 3.81Å; F176-Y196 HydrophobicContact CE1-CD1 3.81Å; F176-Y196 AromaticContact CE1-CD2 3.74Å; F176-Y196 HydrophobicContact CE1-CD2 3.74Å; F176-Y196 HydrophobicContact CE1-CE1 4.08Å; F176-Y196 HydrophobicContact CE1-CE2 4.02Å; F176-Y196 AromaticContact CE1-CG 3.61Å; F176-Y196 HydrophobicContact CE1-CG 3.61Å; F176-Y196 AromaticContact CZ-CD1 3.93Å; F176-Y196 HydrophobicContact CZ-CD1 3.93Å; F176-Y196 HydrophobicContact CZ-CD2 4.25Å; F176-Y196 AromaticContact CZ-CG 3.71Å; F176-Y196 HydrophobicContact CZ-CG 3.71Å; L190-Y196 HydrophobicContact CB-CE2 4.44Å; L190-Y196 WeakPolarHBondContact CD2-OH 3.3Å; A191-Y196 HydrophobicContact CB-CE2 4.31Å; A191-Y196 WeakPolarHBondContact O-CE2 3.47Å; N193-Y196 PolarHBondContact O-N 3.41Å; N193-Y196 VanDerWaalsContact O-N 3.08Å; D194-Y196 PolarHBondContact O-N 3.28Å; Y196-T198 PolarHBondContact O-N 3.47Å; Y196-P281 HydrophobicContact CD1-CG 4.29Å; Y196-P281 HydrophobicContact CE1-CG 3.57Å; Y196-P281 HydrophobicContact CE2-CG 4.26Å; Y196-P281 PolarHBondContact OH-O 3.43Å; Y196-P313 HydrophobicContact CD1-CB 4.05Å; Y196-P313 HydrophobicContact CD1-CG 4.22Å; Y196-P313 HydrophobicContact CE1-CB 3.63Å; Y196-P313 HydrophobicContact CE1-CG 3.41Å; Y196-P313 VanDerWaalsContact CE1-CG 3.41Å; Y196-I315 HydrophobicContact CD1-CG2 3.96Å; Y196-I315 HydrophobicContact CE1-CG2 4.36Å
197Q71.5Confident82.3Confident77 Ų7745.9 Ų45.936%0.3624%0.24SC..G310 helixtrans-78.58.6169-58.4-17418.100112.7F90 W168 D194F90-Q197 HydrophobicContact CD2-CB 4.25Å; F90-Q197 HydrophobicContact CE2-CB 4.4Å; F90-Q197 HydrophobicContact CE2-CG 4.24Å; W168-Q197 WeakPolarHBondContact CH2-O 3.26Å; W168-Q197 WeakPolarHBondContact CZ3-O 3.33Å; D194-Q197 PolarHBondContact O-N 2.87Å; D194-Q197 PolarHBondContact OD1-NE2 2.95Å
198T73.7Confident82.6Confident2 Ų246 Ų461%0.01224%0.244CC..SBendtrans-100.1170.8-17757.50000111P86 Y195 Y196 I315P86-T198 HydrophobicContact CB-CG2 3.7Å; Y195-T198 PolarHBondContact O-OG1 2.98Å; Y196-T198 PolarHBondContact O-N 3.47Å; T198-I315 WeakPolarHBondContact OG1-CB 3.41Å; T198-I315 WeakPolarHBondContact OG1-CG2 3.32Å
199S77Confident82.7Confident5 Ų546 Ų464%0.03524%0.244CC..  trans-75.5146.5-179.1-173.90000110.7Y87 W167 N201 S205 V316Y87-S199 PolarHBondContact O-N 2.92Å; W167-S199 PolarHBondContact O-OG 3.29Å; S199-N201 PolarHBondContact OG-N 3.44Å; S199-S205 VanDerWaalsContact CB-OG 3.23Å; S199-S205 WeakPolarHBondContact CB-OG 3.31Å; S199-S205 PolarHBondContact OG-OG 3.43Å; S199-V316 WeakPolarHBondContact O-CB 3.34Å; S199-V316 WeakPolarHBondContact O-CG2 3.43Å; S199-V316 PolarHBondContact O-N 3.17Å
200D79.6Confident82.9Confident43 Ų4347.1 Ų47.123%0.2325%0.246CC..  trans-102.2-9.7174.667.3-25000112.9T169 L171 L278T169-D200 WeakPolarHBondContact CG2-OD1 3.15Å; T169-D200 PolarHBondContact OG1-OD1 2.83Å; T169-D200 PolarHBondContact OG1-OD2 3.5Å; L171-D200 HydrophobicContact CD1-CB 4.48Å; D200-L278 WeakPolarHBondContact O-CD2 3.43Å
201N84.6Confident82.9Confident64 Ų6446.7 Ų46.734%0.34225%0.245SC..  trans-105.6112.2-176.6-173.2-19.2000111.5S199 I203 A204 S205S199-N201 PolarHBondContact OG-N 3.44Å; N201-I203 PolarHBondContact OD1-N 3.31Å; N201-A204 HydrophobicContact CB-CB 3.95Å; N201-A204 PolarHBondContact OD1-N 3.39Å; N201-S205 WeakPolarHBondContact O-CB 3.4Å; N201-S205 PolarHBondContact O-N 2.86Å; N201-S205 PolarHBondContact O-OG 2.91Å
202M86.4Confident83Confident75 Ų7547.8 Ų47.837%0.36925%0.251SS..Hα-helixtrans-59-48.3179.7-175.3-178.373.700112.9A204 S205 E206 F276M202-A204 PolarHBondContact O-N 3.3Å; M202-S205 PolarHBondContact O-N 2.86Å; M202-E206 WeakPolarHBondContact O-CB 3.2Å; M202-E206 PolarHBondContact O-N 3.21Å; M202-F276 HydrophobicContact CG-CB 4.21Å
203I87.8Confident83.2Confident121 Ų12148 Ų4862%0.62125%0.251SS*.Hα-helixtrans-66.6-42-175.3-62.3172.6000110.3N201 E206 A207N201-I203 PolarHBondContact OD1-N 3.31Å; I203-E206 PolarHBondContact O-N 3.33Å; I203-A207 WeakPolarHBondContact O-CB 3.2Å; I203-A207 PolarHBondContact O-N 2.92Å
204A84.2Confident83.8Confident6 Ų642.1 Ų42.15%0.0522%0.22CC..Hα-helixtrans-68-40.3179.800000111.9W167 N201 M202 A207 S208W167-A204 HydrophobicContact CB-CB 3.67Å; W167-A204 HydrophobicContact CD2-CB 3.7Å; W167-A204 HydrophobicContact CE3-CB 3.86Å; W167-A204 HydrophobicContact CG-CB 3.63Å; N201-A204 HydrophobicContact CB-CB 3.95Å; N201-A204 PolarHBondContact OD1-N 3.39Å; M202-A204 PolarHBondContact O-N 3.3Å; A204-A207 PolarHBondContact O-N 3.47Å; A204-S208 VanDerWaalsContact O-CB 3.28Å; A204-S208 WeakPolarHBondContact O-CB 3.43Å; A204-S208 PolarHBondContact O-N 3.39Å
205S86.3Confident84.7Confident3 Ų341.4 Ų41.42%0.02122%0.216CC..Hα-helixtrans-61.2-44.7173.9-67.60000112Y87 S199 N201 M202 S208 A209Y87-S205 WeakPolarHBondContact CE1-O 3.34Å; S199-S205 VanDerWaalsContact CB-OG 3.23Å; S199-S205 WeakPolarHBondContact CB-OG 3.31Å; S199-S205 PolarHBondContact OG-OG 3.43Å; N201-S205 WeakPolarHBondContact O-CB 3.4Å; N201-S205 PolarHBondContact O-N 2.86Å; N201-S205 PolarHBondContact O-OG 2.91Å; M202-S205 PolarHBondContact O-N 2.86Å; S205-S208 WeakPolarHBondContact O-CB 3.49Å; S205-S208 PolarHBondContact O-N 3.38Å; S205-A209 PolarHBondContact O-N 2.94Å
206E89.4Confident85.4Confident66 Ų6638.6 Ų38.631%0.30821%0.207SC..Hα-helixtrans-62.3-52.6176.1-178.5167.5-163.900110.9M202 I203 S208 A209 W210 F276M202-E206 WeakPolarHBondContact O-CB 3.2Å; M202-E206 PolarHBondContact O-N 3.21Å; I203-E206 PolarHBondContact O-N 3.33Å; E206-S208 PolarHBondContact O-N 3.21Å; E206-A209 PolarHBondContact O-N 3.48Å; E206-W210 VanDerWaalsContact CG-CD1 3.49Å; E206-W210 PolarHBondContact O-N 2.67Å; E206-W210 PolarHBondContact OE1-NE1 3.01Å; E206-F276 HydrophobicContact CB-CD2 3.76Å; E206-F276 HydrophobicContact CB-CE2 4.29Å; E206-F276 HydrophobicContact CB-CG 4.32Å; E206-F276 HydrophobicContact CG-CD2 4.03Å; E206-F276 HydrophobicContact CG-CE2 4.35Å
207A88.2Confident86Confident49 Ų4939.1 Ų39.141%0.40521%0.211SC..Hα-helixtrans-56.4-38.7177.400000112.3I203 A204 S211I203-A207 WeakPolarHBondContact O-CB 3.2Å; I203-A207 PolarHBondContact O-N 2.92Å; A204-A207 PolarHBondContact O-N 3.47Å; A207-S211 VanDerWaalsContact O-CB 3.32Å; A207-S211 WeakPolarHBondContact O-CB 3.39Å; A207-S211 PolarHBondContact O-N 2.78Å; A207-S211 PolarHBondContact O-OG 3.23Å
208S86.4Confident87.1Confident21 Ų2136 Ų3615%0.14720%0.197CC..Hα-helixtrans-61.5-48.7174.3179.20000112.2A204 S205 E206 W210 S211 T212A204-S208 VanDerWaalsContact O-CB 3.28Å; A204-S208 WeakPolarHBondContact O-CB 3.43Å; A204-S208 PolarHBondContact O-N 3.39Å; S205-S208 WeakPolarHBondContact O-CB 3.49Å; S205-S208 PolarHBondContact O-N 3.38Å; E206-S208 PolarHBondContact O-N 3.21Å; S208-W210 PolarHBondContact O-N 3.39Å; S208-S211 PolarHBondContact O-N 3.41Å; S208-S211 PolarHBondContact O-OG 3.2Å; S208-S211 VanDerWaalsContact O-OG 3.11Å; S208-T212 WeakPolarHBondContact O-CB 3.31Å; S208-T212 PolarHBondContact O-N 3.26Å; S208-T212 PolarHBondContact O-OG1 3.01Å
209A89Confident88Confident0 Ų036.7 Ų36.70%020%0.201CC..Hα-helixtrans-64.3-40.3179.400000112.9Y87 S205 E206 V213 F214 F276Y87-A209 HydrophobicContact CE1-CB 4.28Å; Y87-A209 HydrophobicContact CE2-CB 4.43Å; Y87-A209 VanDerWaalsContact OH-CA 3.25Å; Y87-A209 WeakPolarHBondContact OH-CA 3.2Å; Y87-A209 WeakPolarHBondContact OH-CB 3.32Å; Y87-A209 PolarHBondContact OH-N 2.94Å; S205-A209 PolarHBondContact O-N 2.94Å; E206-A209 PolarHBondContact O-N 3.48Å; A209-V213 WeakPolarHBondContact O-CA 3.45Å; A209-V213 WeakPolarHBondContact O-CB 3.39Å; A209-V213 PolarHBondContact O-N 3.23Å; A209-F214 HydrophobicContact CB-CD2 4.19Å; A209-F214 HydrophobicContact CB-CE2 3.55Å; A209-F214 HydrophobicContact CB-CZ 3.85Å; A209-F214 PolarHBondContact O-N 3.23Å; A209-F276 HydrophobicContact CB-CE1 4.06Å; A209-F276 HydrophobicContact CB-CE2 3.81Å; A209-F276 HydrophobicContact CB-CZ 3.22Å
210W91.6Very high88.6Confident85 Ų8538 Ų3832%0.32221%0.207SC..Iπ-helixtrans-64.3-44.7176.6-8197.7000112.5E206 S208 F214 L215 L272E206-W210 VanDerWaalsContact CG-CD1 3.49Å; E206-W210 PolarHBondContact O-N 2.67Å; E206-W210 PolarHBondContact OE1-NE1 3.01Å; S208-W210 PolarHBondContact O-N 3.39Å; W210-F214 HydrophobicContact CB-CD2 4.4Å; W210-F214 AromaticContact CD2-CD2 3.84Å; W210-F214 HydrophobicContact CD2-CD2 3.84Å; W210-F214 HydrophobicContact CE3-CB 4.26Å; W210-F214 HydrophobicContact CE3-CD2 4.31Å; W210-F214 AromaticContact CG-CD2 3.87Å; W210-F214 HydrophobicContact CG-CD2 3.87Å; W210-L215 HydrophobicContact CE3-CD1 4.45Å; W210-L215 HydrophobicContact CE3-CD2 4.12Å; W210-L215 HydrophobicContact CE3-CG 4.01Å; W210-L215 HydrophobicContact CZ3-CD2 4.29Å; W210-L215 WeakPolarHBondContact O-CB 3.43Å; W210-L215 WeakPolarHBondContact O-CG 3.32Å; W210-L215 PolarHBondContact O-N 2.78Å; W210-L272 HydrophobicContact CE3-CD2 4.35Å; W210-L272 HydrophobicContact CH2-CD2 3.64Å; W210-L272 HydrophobicContact CZ2-CD2 4.45Å; W210-L272 HydrophobicContact CZ3-CD2 3.57Å
211S89.7Confident89.3Confident21 Ų2136 Ų3615%0.14720%0.196CC..Iπ-helixtrans-76.2-33.2-176.256.10000114.1L151 P152 A207 S208 P216L151-S211 CarbonylContact C-O 3.59Å; L151-S211 WeakPolarHBondContact O-CB 3.31Å; P152-S211 WeakPolarHBondContact CA-O 3.4Å; P152-S211 WeakPolarHBondContact CB-O 3.29Å; A207-S211 VanDerWaalsContact O-CB 3.32Å; A207-S211 WeakPolarHBondContact O-CB 3.39Å; A207-S211 PolarHBondContact O-N 2.78Å; A207-S211 PolarHBondContact O-OG 3.23Å; S208-S211 PolarHBondContact O-N 3.41Å; S208-S211 PolarHBondContact O-OG 3.2Å; S208-S211 VanDerWaalsContact O-OG 3.11Å; S211-P216 WeakPolarHBondContact O-CD 3.29Å; S211-P216 WeakPolarHBondContact O-CG 3.48Å
212T87.5Confident89.8Confident27 Ų2733.6 Ų33.617%0.16618%0.183CC..Iπ-helixtrans-102.6-27.5-174.461.80000115P152 M155 S208P152-T212 HydrophobicContact CB-CG2 4.14Å; M155-T212 HydrophobicContact CB-CG2 3.7Å; M155-T212 HydrophobicContact CG-CG2 3.56Å; S208-T212 WeakPolarHBondContact O-CB 3.31Å; S208-T212 PolarHBondContact O-N 3.26Å; S208-T212 PolarHBondContact O-OG1 3.01Å
213V87.6Confident90.1Very high56 Ų5630.1 Ų30.134%0.33917%0.166SC..Iπ-helixtrans-116.8-60.8-173.9-176.10000111.2A209 T217A209-V213 WeakPolarHBondContact O-CA 3.45Å; A209-V213 WeakPolarHBondContact O-CB 3.39Å; A209-V213 PolarHBondContact O-N 3.23Å; V213-T217 VanDerWaalsContact O-CB 3.32Å; V213-T217 WeakPolarHBondContact O-CB 3.31Å; V213-T217 PolarHBondContact O-N 3.25Å; V213-T217 VanDerWaalsContact O-N 3.16Å; V213-T217 PolarHBondContact O-OG1 3.34Å
214F91.6Very high90.4Very high2 Ų224.6 Ų24.61%0.00914%0.138CC..Iπ-helixtrans-69.5-57.5-167.1-54.3-36.3000113.1A209 W210 T217 I218 L271 L272 S274 F276A209-F214 HydrophobicContact CB-CD2 4.19Å; A209-F214 HydrophobicContact CB-CE2 3.55Å; A209-F214 HydrophobicContact CB-CZ 3.85Å; A209-F214 PolarHBondContact O-N 3.23Å; W210-F214 HydrophobicContact CB-CD2 4.4Å; W210-F214 AromaticContact CD2-CD2 3.84Å; W210-F214 HydrophobicContact CD2-CD2 3.84Å; W210-F214 HydrophobicContact CE3-CB 4.26Å; W210-F214 HydrophobicContact CE3-CD2 4.31Å; W210-F214 AromaticContact CG-CD2 3.87Å; W210-F214 HydrophobicContact CG-CD2 3.87Å; F214-T217 PolarHBondContact O-N 3.23Å; F214-I218 WeakPolarHBondContact O-CG1 3.43Å; F214-I218 PolarHBondContact O-N 3.11Å; F214-L271 HydrophobicContact CD1-CD1 4.24Å; F214-L271 HydrophobicContact CD1-CD2 3.82Å; F214-L271 HydrophobicContact CD1-CG 3.66Å; F214-L271 HydrophobicContact CE1-CD1 3.87Å; F214-L271 HydrophobicContact CE1-CD2 4.31Å; F214-L271 HydrophobicContact CE1-CG 3.75Å; F214-L272 HydrophobicContact CB-CD2 3.92Å; F214-L272 HydrophobicContact CG-CD2 4.36Å; F214-S274 WeakPolarHBondContact CZ-OG 3.4Å; F214-F276 HydrophobicContact CE2-CE2 4.16Å; F214-F276 HydrophobicContact CE2-CZ 4.34Å; F214-F276 HydrophobicContact CZ-CE2 4.41Å; F214-F276 HydrophobicContact CZ-CZ 4.26Å
215L92.7Very high90.9Very high58 Ų5827.4 Ų27.430%0.30415%0.147SC..Hα-helixtrans-68.1-40.1-177.4-63.9171.7000112.8L151 W210 T217 I218 T219L151-L215 HydrophobicContact CD1-CB 3.49Å; L151-L215 VanDerWaalsContact CD1-CB 3.49Å; L151-L215 HydrophobicContact CD1-CD1 4.23Å; L151-L215 HydrophobicContact CD1-CG 4.48Å; L151-L215 HydrophobicContact CD2-CD1 3.77Å; W210-L215 HydrophobicContact CE3-CD1 4.45Å; W210-L215 HydrophobicContact CE3-CD2 4.12Å; W210-L215 HydrophobicContact CE3-CG 4.01Å; W210-L215 HydrophobicContact CZ3-CD2 4.29Å; W210-L215 WeakPolarHBondContact O-CB 3.43Å; W210-L215 WeakPolarHBondContact O-CG 3.32Å; W210-L215 PolarHBondContact O-N 2.78Å; L215-T217 VanDerWaalsContact C-N 3.32Å; L215-T217 PolarHBondContact O-N 3.18Å; L215-I218 PolarHBondContact O-N 2.99Å; L215-T219 WeakPolarHBondContact O-CG2 3.46Å; L215-T219 PolarHBondContact O-N 2.9Å; L215-T219 PolarHBondContact O-OG1 3.43Å
216P91.8Very high91.3Very high15 Ų1527.2 Ų27.210%0.09715%0.146CC..Hα-helixtrans-58.6-40.1172.6-30.740.4000113.5N148 P152 S211 I218 T219 H220N148-P216 WeakPolarHBondContact OD1-CA 3.39Å; N148-P216 VanDerWaalsContact OD1-CB 3.29Å; N148-P216 WeakPolarHBondContact OD1-CB 3.48Å; N148-P216 PolarHBondContact OD1-O 3.32Å; P152-P216 HydrophobicContact CG-CG 4.46Å; S211-P216 WeakPolarHBondContact O-CD 3.29Å; S211-P216 WeakPolarHBondContact O-CG 3.48Å; P216-I218 PolarHBondContact O-N 3.41Å; P216-T219 WeakPolarHBondContact CA-OG1 3.32Å; P216-T219 PolarHBondContact O-N 3.16Å; P216-T219 PolarHBondContact O-OG1 3.24Å; P216-T219 VanDerWaalsContact O-OG1 3.07Å; P216-H220 WeakPolarHBondContact O-CB 3.26Å; P216-H220 PolarHBondContact O-N 2.99Å
217T90.4Very high91.5Very high25 Ų2524.4 Ų24.415%0.15313%0.134CC..Hα-helixtrans-65.4-40.2178.4-54.40000111.7V213 F214 L215 T221 H268V213-T217 VanDerWaalsContact O-CB 3.32Å; V213-T217 WeakPolarHBondContact O-CB 3.31Å; V213-T217 PolarHBondContact O-N 3.25Å; V213-T217 VanDerWaalsContact O-N 3.16Å; V213-T217 PolarHBondContact O-OG1 3.34Å; F214-T217 PolarHBondContact O-N 3.23Å; L215-T217 VanDerWaalsContact C-N 3.32Å; L215-T217 PolarHBondContact O-N 3.18Å; T217-T221 WeakPolarHBondContact O-CB 3.37Å; T217-T221 PolarHBondContact O-N 3.06Å; T217-T221 PolarHBondContact O-OG1 3.49Å; T217-H268 WeakPolarHBondContact CG2-NE2 3.29Å
218I93.7Very high91.8Very high12 Ų1222.6 Ų22.66%0.06212%0.118CC..Hα-helixtrans-66.3-50176.6-66.7167.9000110.6F214 L215 P216 H220 T221 I222 A264 I265 H268 L272F214-I218 WeakPolarHBondContact O-CG1 3.43Å; F214-I218 PolarHBondContact O-N 3.11Å; L215-I218 PolarHBondContact O-N 2.99Å; P216-I218 PolarHBondContact O-N 3.41Å; I218-H220 PolarHBondContact O-N 3.01Å; I218-T221 WeakPolarHBondContact O-CB 3.43Å; I218-T221 PolarHBondContact O-N 2.91Å; I218-T221 VanDerWaalsContact O-N 3.14Å; I218-I222 HydrophobicContact CG2-CD1 3.86Å; I218-I222 HydrophobicContact CG2-CG1 4.46Å; I218-I222 WeakPolarHBondContact O-CG1 3.14Å; I218-I222 PolarHBondContact O-N 3.46Å; I218-A264 HydrophobicContact CG2-CB 4.37Å; I218-I265 HydrophobicContact CG2-CG1 4.14Å; I218-H268 HydrophobicContact CD1-CB 4.22Å; I218-H268 HydrophobicContact CG1-CB 3.85Å; I218-L272 HydrophobicContact CD1-CD1 4.04Å; I218-L272 HydrophobicContact CD1-CD2 3.96Å; I218-L272 HydrophobicContact CD1-CG 4.34Å
219T93.2Very high92.1Very high17 Ų1722.4 Ų22.410%0.10412%0.117CC..Hα-helixtrans-63.1-41.3-179.754.50000111.4V144 T147 N148 L151 L215 P216 T221 I222 S223V144-T219 WeakPolarHBondContact CG1-O 3.36Å; T147-T219 HydrophobicContact CG2-CG2 4.13Å; N148-T219 WeakPolarHBondContact CB-OG1 3.39Å; N148-T219 PolarHBondContact OD1-OG1 3.47Å; L151-T219 HydrophobicContact CD1-CG2 4.4Å; L215-T219 WeakPolarHBondContact O-CG2 3.46Å; L215-T219 PolarHBondContact O-N 2.9Å; L215-T219 PolarHBondContact O-OG1 3.43Å; P216-T219 WeakPolarHBondContact CA-OG1 3.32Å; P216-T219 PolarHBondContact O-N 3.16Å; P216-T219 PolarHBondContact O-OG1 3.24Å; P216-T219 VanDerWaalsContact O-OG1 3.07Å; T219-T221 PolarHBondContact O-N 3.36Å; T219-I222 PolarHBondContact O-N 3.41Å; T219-S223 PolarHBondContact O-N 3.15Å
220H90Very high92.3Very high32 Ų3222.6 Ų22.615%0.14812%0.118CC..Hα-helixtrans-57.4-46.4171.7176.5-90000112P216 I218 I222 S223 V224 H439P216-H220 WeakPolarHBondContact O-CB 3.26Å; P216-H220 PolarHBondContact O-N 2.99Å; I218-H220 PolarHBondContact O-N 3.01Å; H220-I222 VanDerWaalsContact C-N 3.35Å; H220-I222 PolarHBondContact O-N 3.42Å; H220-S223 WeakPolarHBondContact O-CB 3.4Å; H220-S223 PolarHBondContact O-N 3.02Å; H220-V224 VanDerWaalsContact O-CG2 3.25Å; H220-V224 WeakPolarHBondContact O-CG2 3.34Å; H220-V224 PolarHBondContact O-N 3.38Å; H220-H439 AromaticContact NE2-CE1 3.28Å; H220-H439 PolarHBondContact NE2-CE1 2.97Å; H220-H439 VanDerWaalsContact NE2-CE1 3.28Å; H220-H439 AromaticContact NE2-ND1 3.47Å; H220-H439 PolarHBondContact NE2-ND1 3.44Å
221T93Very high92.3Very high1 Ų118.5 Ų18.51%0.00610%0.103CC..Hα-helixtrans-61.5-42.7177.9-58.60000111.9T217 I218 T219 S223 V224 W225 A264 H268 I338T217-T221 WeakPolarHBondContact O-CB 3.37Å; T217-T221 PolarHBondContact O-N 3.06Å; T217-T221 PolarHBondContact O-OG1 3.49Å; I218-T221 WeakPolarHBondContact O-CB 3.43Å; I218-T221 PolarHBondContact O-N 2.91Å; I218-T221 VanDerWaalsContact O-N 3.14Å; T219-T221 PolarHBondContact O-N 3.36Å; T221-S223 VanDerWaalsContact C-N 3.34Å; T221-S223 PolarHBondContact O-N 2.68Å; T221-V224 PolarHBondContact O-N 3.46Å; T221-W225 PolarHBondContact O-N 2.89Å; T221-A264 HydrophobicContact CG2-CB 4.28Å; T221-H268 PolarHBondContact OG1-CE1 3.37Å; T221-I338 HydrophobicContact CG2-CD1 4.45Å; T221-I338 HydrophobicContact CG2-CG1 4.13Å; T221-I338 HydrophobicContact CG2-CG2 4.38Å
222I95.4Very high92.3Very high13 Ų1321.5 Ų21.57%0.06712%0.117CC..Hα-helixtrans-59.9-46174.9-66.6168.3000110.2V144 I218 T219 H220 V224 W225 L226 F257 I260 A264V144-I222 HydrophobicContact CG1-CB 4.16Å; V144-I222 HydrophobicContact CG1-CG2 4.14Å; V144-I222 HydrophobicContact CG2-CG2 3.89Å; I218-I222 HydrophobicContact CG2-CD1 3.86Å; I218-I222 HydrophobicContact CG2-CG1 4.46Å; I218-I222 WeakPolarHBondContact O-CG1 3.14Å; I218-I222 PolarHBondContact O-N 3.46Å; T219-I222 PolarHBondContact O-N 3.41Å; H220-I222 VanDerWaalsContact C-N 3.35Å; H220-I222 PolarHBondContact O-N 3.42Å; I222-V224 PolarHBondContact O-N 2.91Å; I222-W225 PolarHBondContact O-N 3.49Å; I222-L226 HydrophobicContact CG2-CD1 3.71Å; I222-L226 HydrophobicContact CG2-CG 4.17Å; I222-L226 WeakPolarHBondContact O-CB 3.27Å; I222-L226 VanDerWaalsContact O-CG 3.23Å; I222-L226 WeakPolarHBondContact O-CG 3.37Å; I222-L226 PolarHBondContact O-N 3.47Å; I222-F257 HydrophobicContact CG2-CE2 4.14Å; I222-I260 HydrophobicContact CG2-CG2 4.32Å; I222-A264 HydrophobicContact CD1-CB 4.21Å; I222-A264 HydrophobicContact CG1-CB 3.51Å
223S93.4Very high92.3Very high2 Ų220.8 Ų20.81%0.01411%0.111CC..Hα-helixtrans-59-45.4178.7-176.60000112.5T219 H220 T221 L226 T227T219-S223 PolarHBondContact O-N 3.15Å; H220-S223 WeakPolarHBondContact O-CB 3.4Å; H220-S223 PolarHBondContact O-N 3.02Å; T221-S223 VanDerWaalsContact C-N 3.34Å; T221-S223 PolarHBondContact O-N 2.68Å; S223-L226 PolarHBondContact O-N 3.28Å; S223-T227 PolarHBondContact O-N 2.98Å; S223-T227 PolarHBondContact O-OG1 3.31Å
224V92.7Very high92.2Very high5 Ų518.6 Ų18.63%0.0310%0.097CC..Hα-helixtrans-59.6-49.5177.5174.50000110.9H220 T221 I222 L226 T227 V228 P342 F435H220-V224 VanDerWaalsContact O-CG2 3.25Å; H220-V224 WeakPolarHBondContact O-CG2 3.34Å; H220-V224 PolarHBondContact O-N 3.38Å; T221-V224 PolarHBondContact O-N 3.46Å; I222-V224 PolarHBondContact O-N 2.91Å; V224-L226 PolarHBondContact O-N 3.37Å; V224-T227 WeakPolarHBondContact O-CB 3.28Å; V224-T227 PolarHBondContact O-N 2.92Å; V224-T227 VanDerWaalsContact O-N 3.15Å; V224-V228 PolarHBondContact O-N 3.43Å; V224-P342 HydrophobicContact CG1-CB 3.5Å; V224-P342 VanDerWaalsContact CG1-CB 3.5Å; V224-P342 HydrophobicContact CG1-CG 3.79Å; V224-F435 HydrophobicContact CB-CZ 4.19Å; V224-F435 HydrophobicContact CG1-CE1 4.5Å; V224-F435 HydrophobicContact CG1-CZ 4.23Å; V224-F435 HydrophobicContact CG2-CZ 3.87Å
225W95.6Very high92Very high65 Ų6519.3 Ų19.325%0.24610%0.101CC..Hα-helixtrans-70.2-30.7-179.9-81.4103.9000113.4T221 I222 T227 V228 A229 I260 L337 L341 I345T221-W225 PolarHBondContact O-N 2.89Å; I222-W225 PolarHBondContact O-N 3.49Å; W225-T227 VanDerWaalsContact C-N 3.29Å; W225-V228 HydrophobicContact CE3-CB 4.23Å; W225-V228 HydrophobicContact CE3-CG1 4.25Å; W225-V228 HydrophobicContact CE3-CG2 4.33Å; W225-V228 HydrophobicContact CZ3-CG1 4.31Å; W225-V228 WeakPolarHBondContact O-CB 3.36Å; W225-V228 PolarHBondContact O-N 3.42Å; W225-A229 WeakPolarHBondContact O-CB 3.33Å; W225-A229 PolarHBondContact O-N 2.83Å; W225-I260 HydrophobicContact CB-CD1 4.39Å; W225-I260 HydrophobicContact CB-CG2 3.69Å; W225-L337 WeakPolarHBondContact CZ2-O 3.42Å; W225-L337 PolarHBondContact NE1-O 3.01Å; W225-L341 HydrophobicContact CH2-CD2 3.76Å; W225-L341 HydrophobicContact CH2-CG 4.19Å; W225-L341 HydrophobicContact CZ2-CD2 4.05Å; W225-I345 HydrophobicContact CH2-CD1 4.37Å; W225-I345 HydrophobicContact CZ3-CD1 4.41Å
226L95.1Very high91.6Very high0 Ų018.8 Ų18.80%010%0.098CC..Hα-helixtrans-66.5-33.5170.2-72.7172.1000112.1L137 L140 I141 V144 I222 S223 V224 A229 L230 F257 I260L137-L226 HydrophobicContact CD2-CD2 4.02Å; L140-L226 HydrophobicContact CB-CD1 4.34Å; I141-L226 HydrophobicContact CD1-CB 4.15Å; I141-L226 HydrophobicContact CG1-CB 3.59Å; I141-L226 HydrophobicContact CG1-CD1 4.22Å; V144-L226 HydrophobicContact CG2-CD1 4.17Å; I222-L226 HydrophobicContact CG2-CD1 3.71Å; I222-L226 HydrophobicContact CG2-CG 4.17Å; I222-L226 WeakPolarHBondContact O-CB 3.27Å; I222-L226 VanDerWaalsContact O-CG 3.23Å; I222-L226 WeakPolarHBondContact O-CG 3.37Å; I222-L226 PolarHBondContact O-N 3.47Å; S223-L226 PolarHBondContact O-N 3.28Å; V224-L226 PolarHBondContact O-N 3.37Å; L226-A229 PolarHBondContact O-N 3.13Å; L226-L230 WeakPolarHBondContact O-CB 3.46Å; L226-L230 PolarHBondContact O-N 3.47Å; L226-F257 HydrophobicContact CD1-CD2 3.82Å; L226-F257 HydrophobicContact CD1-CE2 4.09Å; L226-F257 HydrophobicContact CD2-CB 4.36Å; L226-F257 HydrophobicContact CD2-CD2 3.98Å; L226-F257 HydrophobicContact CG-CD2 4.43Å; L226-I260 HydrophobicContact CD2-CD1 3.98Å
227T93.1Very high91Very high7 Ų721.1 Ų21.14%0.04311%0.108CC..Hα-helixtrans-68.2-39.1174.1-57.70000110.9S223 V224 W225 L230 A231 L346 L432 F435S223-T227 PolarHBondContact O-N 2.98Å; S223-T227 PolarHBondContact O-OG1 3.31Å; V224-T227 WeakPolarHBondContact O-CB 3.28Å; V224-T227 PolarHBondContact O-N 2.92Å; V224-T227 VanDerWaalsContact O-N 3.15Å; W225-T227 VanDerWaalsContact C-N 3.29Å; T227-L230 PolarHBondContact O-N 3.09Å; T227-A231 PolarHBondContact O-N 3.48Å; T227-L346 HydrophobicContact CG2-CD1 4.47Å; T227-L346 HydrophobicContact CG2-CD2 4.01Å; T227-L432 HydrophobicContact CG2-CD2 3.68Å; T227-F435 HydrophobicContact CG2-CD1 4.2Å; T227-F435 HydrophobicContact CG2-CD2 4.1Å; T227-F435 HydrophobicContact CG2-CE1 4.42Å; T227-F435 HydrophobicContact CG2-CE2 4.3Å; T227-F435 HydrophobicContact CG2-CG 4.04Å; T227-F435 HydrophobicContact CG2-CZ 4.46Å
228V94.7Very high90.4Very high11 Ų1121.7 Ų21.77%0.06711%0.11CC..Hα-helixtrans-59.2-48.7169.6174.60000110.7V224 W225 L230 A231 L232 P342 I345 L346 L349V224-V228 PolarHBondContact O-N 3.43Å; W225-V228 HydrophobicContact CE3-CB 4.23Å; W225-V228 HydrophobicContact CE3-CG1 4.25Å; W225-V228 HydrophobicContact CE3-CG2 4.33Å; W225-V228 HydrophobicContact CZ3-CG1 4.31Å; W225-V228 WeakPolarHBondContact O-CB 3.36Å; W225-V228 PolarHBondContact O-N 3.42Å; V228-L230 VanDerWaalsContact C-N 3.28Å; V228-L230 PolarHBondContact O-N 2.8Å; V228-A231 PolarHBondContact O-N 3.44Å; V228-L232 WeakPolarHBondContact O-CB 3.49Å; V228-L232 PolarHBondContact O-N 3.05Å; V228-P342 HydrophobicContact CG2-CB 3.94Å; V228-I345 HydrophobicContact CG1-CG2 3.67Å; V228-L346 HydrophobicContact CB-CD2 4.5Å; V228-L346 HydrophobicContact CG2-CD1 4.16Å; V228-L346 HydrophobicContact CG2-CD2 4.03Å; V228-L346 HydrophobicContact CG2-CG 3.78Å; V228-L349 HydrophobicContact CG1-CD1 4.49Å
229A93.5Very high89.7Confident16 Ų1624.7 Ų24.713%0.13213%0.129CC..Hα-helixtrans-60.3-38.8178.500000112W225 L226 L232 Q233 I256 I260W225-A229 WeakPolarHBondContact O-CB 3.33Å; W225-A229 PolarHBondContact O-N 2.83Å; L226-A229 PolarHBondContact O-N 3.13Å; A229-L232 PolarHBondContact O-N 3.03Å; A229-Q233 WeakPolarHBondContact O-CB 3.16Å; A229-Q233 PolarHBondContact O-N 3.42Å; A229-I256 HydrophobicContact CB-CG2 4.22Å; A229-I260 HydrophobicContact CB-CD1 4.15Å
230L91.9Very high88.8Confident4 Ų425.6 Ų25.62%0.02114%0.138CC..Hα-helixtrans-64.8-44.4175.2170.6144.8000112.2L137 L138 I141 L226 T227 V228 R234 L428 L432L137-L230 HydrophobicContact CB-CB 4.38Å; L137-L230 HydrophobicContact CB-CD1 4.19Å; L137-L230 HydrophobicContact CD1-CB 3.88Å; L138-L230 HydrophobicContact CD2-CD1 3.37Å; L138-L230 HydrophobicContact CG-CD1 3.6Å; I141-L230 HydrophobicContact CD1-CD1 4.13Å; L226-L230 WeakPolarHBondContact O-CB 3.46Å; L226-L230 PolarHBondContact O-N 3.47Å; T227-L230 PolarHBondContact O-N 3.09Å; V228-L230 VanDerWaalsContact C-N 3.28Å; V228-L230 PolarHBondContact O-N 2.8Å; L230-R234 WeakPolarHBondContact O-CB 3.32Å; L230-R234 PolarHBondContact O-N 2.78Å; L230-L428 HydrophobicContact CD1-CD2 4.07Å; L230-L428 HydrophobicContact CD2-CD2 3.99Å; L230-L428 HydrophobicContact CG-CD2 4.32Å; L230-L432 HydrophobicContact CD2-CD2 4.11Å; L230-L432 HydrophobicContact CD2-CG 4.48Å
231A91.4Very high87.9Confident0 Ų031 Ų310%016%0.161CC..Hα-helixtrans-61.3-46.6175.700000110.9T227 V228 R234 V235 L346 L349 L432T227-A231 PolarHBondContact O-N 3.48Å; V228-A231 PolarHBondContact O-N 3.44Å; A231-R234 PolarHBondContact O-N 3.46Å; A231-V235 WeakPolarHBondContact O-CG2 3.36Å; A231-V235 PolarHBondContact O-N 2.87Å; A231-L346 HydrophobicContact CB-CD2 4.07Å; A231-L349 HydrophobicContact CB-CB 4.12Å; A231-L349 HydrophobicContact CB-CD1 3.92Å; A231-L432 HydrophobicContact CB-CD1 3.92Å; A231-L432 HydrophobicContact CB-CD2 3.93Å
232L90.9Very high86.6Confident84 Ų8437.8 Ų37.844%0.4420%0.198SC..Hα-helixtrans-62.4-50178.9-178.864.3000111.6V228 A229 R234 V235 I236 L349V228-L232 WeakPolarHBondContact O-CB 3.49Å; V228-L232 PolarHBondContact O-N 3.05Å; A229-L232 PolarHBondContact O-N 3.03Å; L232-R234 PolarHBondContact O-N 2.95Å; L232-V235 PolarHBondContact O-N 3.23Å; L232-V235 VanDerWaalsContact O-N 3.12Å; L232-I236 HydrophobicContact CD1-CD1 4.34Å; L232-I236 HydrophobicContact CG-CD1 4.01Å; L232-I236 WeakPolarHBondContact O-CG1 3.29Å; L232-I236 PolarHBondContact O-N 2.97Å; L232-L349 HydrophobicContact CB-CD1 4.07Å; L232-L349 HydrophobicContact CD1-CD2 4.22Å
233Q87.8Confident85.1Confident12 Ų1241.5 Ų41.56%0.05622%0.217CC..Hα-helixtrans-56.6-37.2176.8-177.3177.1-49.800111.1P133 L137 A229 I236 H237 C248P133-Q233 PolarHBondContact O-NE2 3Å; P133-Q233 VanDerWaalsContact O-NE2 3.15Å; L137-Q233 HydrophobicContact CD1-CB 4.37Å; A229-Q233 WeakPolarHBondContact O-CB 3.16Å; A229-Q233 PolarHBondContact O-N 3.42Å; Q233-I236 PolarHBondContact O-N 3.21Å; Q233-H237 WeakPolarHBondContact O-CB 3.34Å; Q233-H237 PolarHBondContact O-N 3.01Å; Q233-C248 HydrophobicContact CG-CB 4.22Å
234R85.1Confident83.4Confident9 Ų941.9 Ų41.93%0.03422%0.22CC..Hα-helixtrans-70.5-40.5178.3-175.258.5-174.5-175.910.6112.7L230 A231 L232 I236 H237 L238 L353 P421 S425 L428L230-R234 WeakPolarHBondContact O-CB 3.32Å; L230-R234 PolarHBondContact O-N 2.78Å; A231-R234 PolarHBondContact O-N 3.46Å; L232-R234 PolarHBondContact O-N 2.95Å; R234-I236 VanDerWaalsContact C-N 3.33Å; R234-H237 PolarHBondContact O-N 2.77Å; R234-L238 WeakPolarHBondContact O-CB 3.34Å; R234-L238 PolarHBondContact O-N 3.29Å; R234-L353 HydrophobicContact CB-CD1 3.79Å; R234-L353 HydrophobicContact CG-CD1 3.44Å; R234-L353 VanDerWaalsContact CG-CD1 3.44Å; R234-L353 HydrophobicContact CG-CG 4.4Å; R234-P421 PolarHBondContact NH2-O 3.48Å; R234-S425 VanDerWaalsContact CZ-OG 3.23Å; R234-S425 PolarHBondContact NE-OG 2.67Å; R234-S425 PolarHBondContact NH2-OG 3.02Å; R234-L428 HydrophobicContact CB-CD1 4.31Å; R234-L428 HydrophobicContact CG-CD1 3.84Å
235V85.9Confident82.1Confident17 Ų1746.6 Ų46.610%0.10325%0.253CS..Hα-helixtrans-61-44.5173.7172.10000110.4A231 L232 L238 T239 L349 I352 L353A231-V235 WeakPolarHBondContact O-CG2 3.36Å; A231-V235 PolarHBondContact O-N 2.87Å; L232-V235 PolarHBondContact O-N 3.23Å; L232-V235 VanDerWaalsContact O-N 3.12Å; V235-L238 PolarHBondContact O-N 3.38Å; V235-T239 HydrophobicContact CG1-CG2 4.27Å; V235-T239 WeakPolarHBondContact O-CB 3.33Å; V235-T239 WeakPolarHBondContact O-CG2 3.14Å; V235-T239 PolarHBondContact O-N 2.93Å; V235-T239 PolarHBondContact O-OG1 3.26Å; V235-L349 HydrophobicContact CG2-CD2 4.35Å; V235-I352 HydrophobicContact CG1-CG2 4.02Å; V235-I352 HydrophobicContact CG2-CG2 4.4Å; V235-L353 HydrophobicContact CG2-CB 3.98Å; V235-L353 HydrophobicContact CG2-CD1 4.1Å; V235-L353 HydrophobicContact CG2-CG 4.42Å
236I85.2Confident80.5Confident47 Ų4751.5 Ų51.524%0.24128%0.276CS..Hα-helixtrans-60.6-48.9177.3-65.6166.8000110.7L232 Q233 R234 L238 T239 A240 T244L232-I236 HydrophobicContact CD1-CD1 4.34Å; L232-I236 HydrophobicContact CG-CD1 4.01Å; L232-I236 WeakPolarHBondContact O-CG1 3.29Å; L232-I236 PolarHBondContact O-N 2.97Å; Q233-I236 PolarHBondContact O-N 3.21Å; R234-I236 VanDerWaalsContact C-N 3.33Å; I236-L238 VanDerWaalsContact C-N 3.25Å; I236-L238 PolarHBondContact O-N 3.07Å; I236-T239 PolarHBondContact O-N 2.96Å; I236-T239 PolarHBondContact O-OG1 3.42Å; I236-A240 PolarHBondContact O-N 3.36Å; I236-T244 PolarHBondContact O-OG1 3.26Å
237H78.7Confident79.2Confident64 Ų6455.5 Ų55.530%0.29630%0.296SS..Hα-helixtrans-60.8-33.6178.2-175.6-65.7000112.7Q233 R234 T244Q233-H237 WeakPolarHBondContact O-CB 3.34Å; Q233-H237 PolarHBondContact O-N 3.01Å; R234-H237 PolarHBondContact O-N 2.77Å; H237-T244 WeakPolarHBondContact CA-OG1 3.39Å; H237-T244 HydrophobicContact CB-CG2 4.02Å
238L77.8Confident78.3Confident38 Ų3856 Ų5620%0.19930%0.3CS..Hα-helixtrans-79.9-29.1-179.6-163.866000113R234 V235 I236 K356 I360R234-L238 WeakPolarHBondContact O-CB 3.34Å; R234-L238 PolarHBondContact O-N 3.29Å; V235-L238 PolarHBondContact O-N 3.38Å; I236-L238 VanDerWaalsContact C-N 3.25Å; I236-L238 PolarHBondContact O-N 3.07Å; L238-K356 HydrophobicContact CD2-CB 3.65Å; L238-K356 HydrophobicContact CG-CB 4.45Å; L238-I360 HydrophobicContact CD1-CD1 3.25Å; L238-I360 HydrophobicContact CD2-CD1 4.09Å; L238-I360 HydrophobicContact CG-CD1 3.52Å
239T79.1Confident77.7Confident74 Ų7458.7 Ų58.745%0.45431%0.314SS..Hα-helixtrans-94.5-37.5-174.751.60000113.1V235 I236 K356V235-T239 HydrophobicContact CG1-CG2 4.27Å; V235-T239 WeakPolarHBondContact O-CB 3.33Å; V235-T239 WeakPolarHBondContact O-CG2 3.14Å; V235-T239 PolarHBondContact O-N 2.93Å; V235-T239 PolarHBondContact O-OG1 3.26Å; I236-T239 PolarHBondContact O-N 2.96Å; I236-T239 PolarHBondContact O-OG1 3.42Å; T239-K356 HydrophobicContact CG2-CD 4.08Å; T239-K356 HydrophobicContact CG2-CG 4.23Å
240A75Confident77.2Confident37 Ų3761.7 Ų61.731%0.30633%0.327SS..  trans-137.665.6-169.400000112.5I236 N242 L243 T244I236-A240 PolarHBondContact O-N 3.36Å; A240-N242 VanDerWaalsContact C-N 3.26Å; A240-N242 PolarHBondContact O-N 2.93Å; A240-N242 VanDerWaalsContact O-N 3.17Å; A240-L243 HydrophobicContact CB-CB 4.2Å; A240-L243 PolarHBondContact O-N 3.4Å; A240-L243 VanDerWaalsContact O-N 3.1Å; A240-T244 PolarHBondContact O-N 2.94Å; A240-T244 PolarHBondContact O-OG1 3.31Å
241F70.3Confident77Confident144 Ų14465.1 Ų65.163%0.63235%0.352SS*.Hα-helixtrans-50-43.1-179.1-178.1-100.2000113.4L243 T244F241-L243 PolarHBondContact O-N 3.23Å; F241-T244 VanDerWaalsContact O-CB 3.31Å; F241-T244 WeakPolarHBondContact O-CB 3.35Å; F241-T244 PolarHBondContact O-N 3.44Å
242N66Low76.8Confident145 Ų14566.7 Ų66.778%0.77536%0.362SS*.Hα-helixtrans-66.7-33.6-177.3-68.2-4.2000113.3A240A240-N242 VanDerWaalsContact C-N 3.26Å; A240-N242 PolarHBondContact O-N 2.93Å; A240-N242 VanDerWaalsContact O-N 3.17Å
243L62.9Low76.7Confident91 Ų9162.7 Ų62.748%0.47634%0.342SS..Hα-helixtrans-81.8-26.6176.3-169.463000111.8A240 F241 S245 K246 I247A240-L243 HydrophobicContact CB-CB 4.2Å; A240-L243 PolarHBondContact O-N 3.4Å; A240-L243 VanDerWaalsContact O-N 3.1Å; F241-L243 PolarHBondContact O-N 3.23Å; L243-S245 VanDerWaalsContact C-N 3.32Å; L243-S245 PolarHBondContact O-N 3.18Å; L243-K246 PolarHBondContact O-N 3.18Å; L243-I247 HydrophobicContact CD1-CD1 4Å; L243-I247 HydrophobicContact CD1-CG1 4.4Å; L243-I247 HydrophobicContact CD2-CD1 3.74Å; L243-I247 HydrophobicContact CG-CD1 3.57Å; L243-I247 HydrophobicContact CG-CG1 4.17Å; L243-I247 PolarHBondContact O-N 2.77Å
244T59.7Low76.9Confident10 Ų1063 Ų636%0.06135%0.348CS..Hα-helixtrans-60-38.7-177-57.60000112.3I236 H237 A240 F241 K246 I247 C248I236-T244 PolarHBondContact O-OG1 3.26Å; H237-T244 WeakPolarHBondContact CA-OG1 3.39Å; H237-T244 HydrophobicContact CB-CG2 4.02Å; A240-T244 PolarHBondContact O-N 2.94Å; A240-T244 PolarHBondContact O-OG1 3.31Å; F241-T244 VanDerWaalsContact O-CB 3.31Å; F241-T244 WeakPolarHBondContact O-CB 3.35Å; F241-T244 PolarHBondContact O-N 3.44Å; T244-K246 PolarHBondContact O-N 3.41Å; T244-I247 PolarHBondContact O-N 2.9Å; T244-C248 HydrophobicContact CG2-CB 3.85Å; T244-C248 PolarHBondContact O-N 3.27Å
245S63.5Low77.2Confident103 Ų10368.9 Ų68.972%0.7237%0.374SS*.Hα-helixtrans-63-23.6178.7-171.60000113.3L243L243-S245 VanDerWaalsContact C-N 3.32Å; L243-S245 PolarHBondContact O-N 3.18Å
246K63.4Low77.5Confident168 Ų16870.9 Ų70.973%0.7338%0.383SS*.Hα-helixtrans-88.8-45.6178.1-68.2-173.4178.2-176.60111.9L243 T244 N249L243-K246 PolarHBondContact O-N 3.18Å; T244-K246 PolarHBondContact O-N 3.41Å; K246-N249 PolarHBondContact O-ND2 3.45Å
247I67Low78Confident85 Ų8571.1 Ų71.144%0.43638%0.383SS..Hα-helixtrans-87.8-44-170.7-58.3-178.2000112.3L243 T244 N249 S252L243-I247 HydrophobicContact CD1-CD1 4Å; L243-I247 HydrophobicContact CD1-CG1 4.4Å; L243-I247 HydrophobicContact CD2-CD1 3.74Å; L243-I247 HydrophobicContact CG-CD1 3.57Å; L243-I247 HydrophobicContact CG-CG1 4.17Å; L243-I247 PolarHBondContact O-N 2.77Å; T244-I247 PolarHBondContact O-N 2.9Å; I247-N249 PolarHBondContact O-N 3.32Å; I247-S252 WeakPolarHBondContact O-CB 3.42Å; I247-S252 PolarHBondContact O-OG 3.39Å
248C73.5Confident78.8Confident17 Ų1773.1 Ų73.112%0.11539%0.394CS..SBendtrans-102.257.9-171.2-59.80000111.2P133 Q233 T244P133-C248 VanDerWaalsContact CG-O 3.32Å; P133-C248 WeakPolarHBondContact CG-O 3.41Å; Q233-C248 HydrophobicContact CG-CB 4.22Å; T244-C248 HydrophobicContact CG2-CB 3.85Å; T244-C248 PolarHBondContact O-N 3.27Å
249N82.5Confident79.7Confident67 Ų6776 Ų7636%0.35841%0.409SS..  trans-92.3164.7171.667.741.9000111.2K246 I247 S251 S252 T253K246-N249 PolarHBondContact O-ND2 3.45Å; I247-N249 PolarHBondContact O-N 3.32Å; N249-S251 VanDerWaalsContact C-N 3.26Å; N249-S251 PolarHBondContact O-N 3.47Å; N249-S251 PolarHBondContact OD1-N 2.88Å; N249-S252 WeakPolarHBondContact O-CB 3.46Å; N249-S252 PolarHBondContact O-N 3.09Å; N249-S252 WeakPolarHBondContact OD1-CB 2.98Å; N249-S252 PolarHBondContact OD1-N 3.19Å; N249-T253 PolarHBondContact O-N 2.8Å; N249-T253 PolarHBondContact O-OG1 3.4Å
250L84Confident80.5Confident79 Ų7973.6 Ų73.641%0.41439%0.393SS..Hα-helixtrans-59.1-36.2-176.6-172.465.8000112.9F136 T253 G254F136-L250 HydrophobicContact CB-CD1 3.44Å; F136-L250 VanDerWaalsContact CB-CD1 3.44Å; F136-L250 HydrophobicContact CD1-CD1 3.4Å; F136-L250 HydrophobicContact CD1-CG 4.39Å; F136-L250 HydrophobicContact CD2-CD1 3.98Å; F136-L250 HydrophobicContact CE1-CD1 4.1Å; F136-L250 HydrophobicContact CG-CD1 3.33Å; L250-T253 PolarHBondContact O-N 3.18Å; L250-G254 PolarHBondContact O-N 3.23Å; L250-G254 VanDerWaalsContact O-N 3.13Å
251S86.5Confident81.5Confident77 Ų7772.8 Ų72.854%0.53839%0.385SS..Hα-helixtrans-68.1-43178.31800000112N249 T253 G254 K255N249-S251 VanDerWaalsContact C-N 3.26Å; N249-S251 PolarHBondContact O-N 3.47Å; N249-S251 PolarHBondContact OD1-N 2.88Å; S251-T253 VanDerWaalsContact C-N 3.33Å; S251-T253 PolarHBondContact O-N 2.68Å; S251-G254 PolarHBondContact O-N 3.06Å; S251-G254 VanDerWaalsContact O-N 3.17Å; S251-K255 WeakPolarHBondContact O-CG 3.32Å; S251-K255 PolarHBondContact O-N 3.46Å
252S87.1Confident82.7Confident32 Ų3269.3 Ų69.322%0.22438%0.378CS..Hα-helixtrans-60.4-43.6175.4-175.90000110.7I247 N249 G254 K255 I256I247-S252 WeakPolarHBondContact O-CB 3.42Å; I247-S252 PolarHBondContact O-OG 3.39Å; N249-S252 WeakPolarHBondContact O-CB 3.46Å; N249-S252 PolarHBondContact O-N 3.09Å; N249-S252 WeakPolarHBondContact OD1-CB 2.98Å; N249-S252 PolarHBondContact OD1-N 3.19Å; S252-G254 VanDerWaalsContact C-N 3.33Å; S252-G254 PolarHBondContact O-N 2.93Å; S252-K255 WeakPolarHBondContact O-CB 3.35Å; S252-K255 PolarHBondContact O-N 2.99Å; S252-K255 VanDerWaalsContact O-N 3.15Å; S252-I256 WeakPolarHBondContact O-CG1 3.44Å; S252-I256 PolarHBondContact O-N 3.08Å
253T89.1Confident84.1Confident1 Ų167.6 Ų67.61%0.00637%0.368CS..Hα-helixtrans-58.9-42.2173.8-56.40000112.4F136 L137 N249 L250 S251 I256 F257F136-T253 HydrophobicContact CD1-CG2 3.6Å; F136-T253 HydrophobicContact CE1-CG2 4.23Å; L137-T253 HydrophobicContact CD1-CG2 4.33Å; L137-T253 HydrophobicContact CD2-CG2 3.47Å; L137-T253 VanDerWaalsContact CD2-CG2 3.47Å; L137-T253 HydrophobicContact CG-CG2 3.46Å; L137-T253 VanDerWaalsContact CG-CG2 3.46Å; N249-T253 PolarHBondContact O-N 2.8Å; N249-T253 PolarHBondContact O-OG1 3.4Å; L250-T253 PolarHBondContact O-N 3.18Å; S251-T253 VanDerWaalsContact C-N 3.33Å; S251-T253 PolarHBondContact O-N 2.68Å; T253-I256 PolarHBondContact O-N 3.45Å; T253-F257 PolarHBondContact O-N 2.95Å; T253-F257 VanDerWaalsContact O-N 3.11Å
254G91.8Very high85.6Confident19 Ų1963.4 Ų63.420%0.19635%0.347CS..Hα-helixtrans-62.8-39.9174.500000113.2L250 S251 S252 F257 I258L250-G254 PolarHBondContact O-N 3.23Å; L250-G254 VanDerWaalsContact O-N 3.13Å; S251-G254 PolarHBondContact O-N 3.06Å; S251-G254 VanDerWaalsContact O-N 3.17Å; S252-G254 VanDerWaalsContact C-N 3.33Å; S252-G254 PolarHBondContact O-N 2.93Å; G254-F257 WeakPolarHBondContact O-CB 3.48Å; G254-F257 PolarHBondContact O-N 3.33Å; G254-I258 WeakPolarHBondContact O-CG1 3.28Å; G254-I258 PolarHBondContact O-N 3.27Å
255K92.7Very high87.3Confident131 Ų13166.6 Ų66.657%0.5736%0.363SS*.Hα-helixtrans-64.3-42.6174.7-67.3176.4-176.2-177.30112S251 S252 F257 I258 I259S251-K255 WeakPolarHBondContact O-CG 3.32Å; S251-K255 PolarHBondContact O-N 3.46Å; S252-K255 WeakPolarHBondContact O-CB 3.35Å; S252-K255 PolarHBondContact O-N 2.99Å; S252-K255 VanDerWaalsContact O-N 3.15Å; K255-F257 VanDerWaalsContact C-N 3.29Å; K255-F257 PolarHBondContact O-N 3.32Å; K255-I258 PolarHBondContact O-N 2.92Å; K255-I259 VanDerWaalsContact O-CG1 3.31Å; K255-I259 WeakPolarHBondContact O-CG1 3.44Å; K255-I259 PolarHBondContact O-N 3.23Å
256I92.5Very high88.6Confident59 Ų5966 Ų6630%0.30336%0.355SS..Hα-helixtrans-58.1-43.5176.2-69.9166.8000110.6A229 S252 T253 I258 I259 I260A229-I256 HydrophobicContact CB-CG2 4.22Å; S252-I256 WeakPolarHBondContact O-CG1 3.44Å; S252-I256 PolarHBondContact O-N 3.08Å; T253-I256 PolarHBondContact O-N 3.45Å; I256-I258 PolarHBondContact O-N 3.39Å; I256-I259 PolarHBondContact O-N 2.87Å; I256-I260 HydrophobicContact CG2-CD1 3.64Å; I256-I260 HydrophobicContact CG2-CG1 4.31Å; I256-I260 WeakPolarHBondContact O-CB 3.41Å; I256-I260 WeakPolarHBondContact O-CG1 3.48Å; I256-I260 PolarHBondContact O-N 3.43Å
257F94.9Very high90Very high53 Ų5359.8 Ų59.823%0.23233%0.33CS..Hα-helixtrans-59.8-45.3176.2170-104.9000113.1L140 V144 I222 L226 T253 G254 K255 I260 S261L140-F257 HydrophobicContact CB-CD2 4.32Å; L140-F257 HydrophobicContact CD1-CB 3.8Å; L140-F257 HydrophobicContact CD1-CD2 4.2Å; L140-F257 HydrophobicContact CD1-CG 3.95Å; L140-F257 HydrophobicContact CD2-CD1 4.22Å; L140-F257 HydrophobicContact CD2-CD2 4.27Å; L140-F257 HydrophobicContact CD2-CE1 4.36Å; L140-F257 HydrophobicContact CD2-CE2 4.41Å; L140-F257 HydrophobicContact CD2-CG 4.17Å; L140-F257 HydrophobicContact CD2-CZ 4.45Å; V144-F257 HydrophobicContact CG2-CE2 3.92Å; I222-F257 HydrophobicContact CG2-CE2 4.14Å; L226-F257 HydrophobicContact CD1-CD2 3.82Å; L226-F257 HydrophobicContact CD1-CE2 4.09Å; L226-F257 HydrophobicContact CD2-CB 4.36Å; L226-F257 HydrophobicContact CD2-CD2 3.98Å; L226-F257 HydrophobicContact CG-CD2 4.43Å; T253-F257 PolarHBondContact O-N 2.95Å; T253-F257 VanDerWaalsContact O-N 3.11Å; G254-F257 WeakPolarHBondContact O-CB 3.48Å; G254-F257 PolarHBondContact O-N 3.33Å; K255-F257 VanDerWaalsContact C-N 3.29Å; K255-F257 PolarHBondContact O-N 3.32Å; F257-I260 PolarHBondContact O-N 3.14Å; F257-S261 WeakPolarHBondContact O-CB 2.96Å; F257-S261 PolarHBondContact O-N 3.18Å; F257-S261 PolarHBondContact O-OG 2.84Å
258I95.5Very high91.2Very high105 Ų10555.7 Ų55.754%0.53831%0.309SS..Hα-helixtrans-62.5-46.2177.5-65168.5000110.3G254 K255 I256 I260 S261 C262G254-I258 WeakPolarHBondContact O-CG1 3.28Å; G254-I258 PolarHBondContact O-N 3.27Å; K255-I258 PolarHBondContact O-N 2.92Å; I256-I258 PolarHBondContact O-N 3.39Å; I258-I260 PolarHBondContact O-N 3.02Å; I258-S261 PolarHBondContact O-N 2.92Å; I258-C262 PolarHBondContact O-N 3.45Å; I258-C262 PolarHBondContact O-SG 2.89Å; I258-C262 VanDerWaalsContact O-SG 3.36Å
259I96.4Very high91.9Very high100 Ų10062.7 Ų62.751%0.51333%0.333SS..Hα-helixtrans-60.2-48.4178.8-67.6165.6000111K255 I256 S261 C262 L263K255-I259 VanDerWaalsContact O-CG1 3.31Å; K255-I259 WeakPolarHBondContact O-CG1 3.44Å; K255-I259 PolarHBondContact O-N 3.23Å; I256-I259 PolarHBondContact O-N 2.87Å; I259-S261 VanDerWaalsContact C-N 3.29Å; I259-S261 PolarHBondContact O-N 3.44Å; I259-C262 PolarHBondContact O-N 3.22Å; I259-L263 HydrophobicContact CG2-CD1 3.95Å; I259-L263 HydrophobicContact CG2-CG 4.42Å; I259-L263 WeakPolarHBondContact O-CG 3.48Å; I259-L263 PolarHBondContact O-N 3.47Å
260I96.4Very high92.2Very high23 Ų2360.7 Ų60.712%0.11832%0.324CS..Hα-helixtrans-60.5-41.4177.9-71.1170.8000110.7I222 W225 L226 A229 I256 F257 I258 L263 A264I222-I260 HydrophobicContact CG2-CG2 4.32Å; W225-I260 HydrophobicContact CB-CD1 4.39Å; W225-I260 HydrophobicContact CB-CG2 3.69Å; L226-I260 HydrophobicContact CD2-CD1 3.98Å; A229-I260 HydrophobicContact CB-CD1 4.15Å; I256-I260 HydrophobicContact CG2-CD1 3.64Å; I256-I260 HydrophobicContact CG2-CG1 4.31Å; I256-I260 WeakPolarHBondContact O-CB 3.41Å; I256-I260 WeakPolarHBondContact O-CG1 3.48Å; I256-I260 PolarHBondContact O-N 3.43Å; F257-I260 PolarHBondContact O-N 3.14Å; I258-I260 PolarHBondContact O-N 3.02Å; I260-L263 PolarHBondContact O-N 3.16Å; I260-A264 WeakPolarHBondContact O-CB 3.43Å; I260-A264 PolarHBondContact O-N 2.85Å
261S95.3Very high92.3Very high19 Ų1957.7 Ų57.713%0.13331%0.308CS..Hα-helixtrans-63.7-45.1178.7-580000111.7F257 I258 I259 A264 I265F257-S261 WeakPolarHBondContact O-CB 2.96Å; F257-S261 PolarHBondContact O-N 3.18Å; F257-S261 PolarHBondContact O-OG 2.84Å; I258-S261 PolarHBondContact O-N 2.92Å; I259-S261 VanDerWaalsContact C-N 3.29Å; I259-S261 PolarHBondContact O-N 3.44Å; S261-A264 PolarHBondContact O-N 3.19Å; S261-I265 WeakPolarHBondContact O-CG1 3.34Å; S261-I265 PolarHBondContact O-N 2.93Å; S261-I265 VanDerWaalsContact O-N 3.09Å
262C96.6Very high92.4Very high72 Ų7255.3 Ų55.349%0.48629%0.289SS..Hα-helixtrans-61.1-47.1174.7-68.50000111.6I258 I259 A264 I265 T266I258-C262 PolarHBondContact O-N 3.45Å; I258-C262 PolarHBondContact O-SG 2.89Å; I258-C262 VanDerWaalsContact O-SG 3.36Å; I259-C262 PolarHBondContact O-N 3.22Å; C262-A264 VanDerWaalsContact C-N 3.34Å; C262-A264 PolarHBondContact O-N 2.96Å; C262-I265 PolarHBondContact O-N 3.41Å; C262-T266 WeakPolarHBondContact O-CG2 3.33Å; C262-T266 PolarHBondContact O-N 3.26Å; C262-T266 PolarHBondContact O-OG1 3.39Å
263L95.4Very high92.4Very high108 Ų10855 Ų5557%0.56529%0.287SS*.Hα-helixtrans-60.9-42178.4-72.2174.3000112I259 I260 I265 T266 L267I259-L263 HydrophobicContact CG2-CD1 3.95Å; I259-L263 HydrophobicContact CG2-CG 4.42Å; I259-L263 WeakPolarHBondContact O-CG 3.48Å; I259-L263 PolarHBondContact O-N 3.47Å; I260-L263 PolarHBondContact O-N 3.16Å; L263-I265 PolarHBondContact O-N 3.44Å; L263-T266 WeakPolarHBondContact CA-OG1 3.31Å; L263-T266 PolarHBondContact O-N 3.05Å; L263-T266 PolarHBondContact O-OG1 2.96Å; L263-L267 WeakPolarHBondContact O-CB 3.19Å; L263-L267 PolarHBondContact O-N 2.9Å
264A95Very high92.5Very high4 Ų455.2 Ų55.23%0.03329%0.288CS..Hα-helixtrans-62.4-41.9177.400000112.2I218 T221 I222 I260 S261 C262 L267 H268I218-A264 HydrophobicContact CG2-CB 4.37Å; T221-A264 HydrophobicContact CG2-CB 4.28Å; I222-A264 HydrophobicContact CD1-CB 4.21Å; I222-A264 HydrophobicContact CG1-CB 3.51Å; I260-A264 WeakPolarHBondContact O-CB 3.43Å; I260-A264 PolarHBondContact O-N 2.85Å; S261-A264 PolarHBondContact O-N 3.19Å; C262-A264 VanDerWaalsContact C-N 3.34Å; C262-A264 PolarHBondContact O-N 2.96Å; A264-L267 PolarHBondContact O-N 3.28Å; A264-H268 PolarHBondContact O-N 2.88Å; A264-H268 PolarHBondContact O-ND1 3.36Å
265I93.6Very high92.4Very high77 Ų7761 Ų6140%0.39530%0.304SS..Hα-helixtrans-65.2-45176.2-66.4165000110.5I218 S261 C262 L263 L267 H268 W269 L272I218-I265 HydrophobicContact CG2-CG1 4.14Å; S261-I265 WeakPolarHBondContact O-CG1 3.34Å; S261-I265 PolarHBondContact O-N 2.93Å; S261-I265 VanDerWaalsContact O-N 3.09Å; C262-I265 PolarHBondContact O-N 3.41Å; L263-I265 PolarHBondContact O-N 3.44Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 2.85Å; I265-H268 PolarHBondContact O-N 2.91Å; I265-W269 PolarHBondContact O-N 3.48Å; I265-W269 VanDerWaalsContact O-N 3.09Å; I265-L272 HydrophobicContact CG2-CD1 4.29Å
266T92.1Very high92.3Very high91 Ų9155.4 Ų55.456%0.55828%0.28SS*.Hα-helixtrans-62.7-38.6178.255.20000112.4C262 L263 H268 W269C262-T266 WeakPolarHBondContact O-CG2 3.33Å; C262-T266 PolarHBondContact O-N 3.26Å; C262-T266 PolarHBondContact O-OG1 3.39Å; L263-T266 WeakPolarHBondContact CA-OG1 3.31Å; L263-T266 PolarHBondContact O-N 3.05Å; L263-T266 PolarHBondContact O-OG1 2.96Å; T266-H268 VanDerWaalsContact C-N 3.32Å; T266-H268 PolarHBondContact O-N 3.29Å; T266-W269 VanDerWaalsContact O-CB 3.29Å; T266-W269 WeakPolarHBondContact O-CB 3.47Å; T266-W269 PolarHBondContact O-N 3.45Å
267L91.8Very high92.2Very high36 Ų3652.8 Ų52.819%0.18827%0.266CS..Hα-helixtrans-64.5-37.7178.3-177.364.1000111.8L263 A264 I265 W269 Y330 A333 L337 I338L263-L267 WeakPolarHBondContact O-CB 3.19Å; L263-L267 PolarHBondContact O-N 2.9Å; A264-L267 PolarHBondContact O-N 3.28Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 2.85Å; L267-W269 VanDerWaalsContact C-N 3.35Å; L267-Y330 WeakPolarHBondContact O-CD2 3.45Å; L267-Y330 WeakPolarHBondContact O-CE2 3.25Å; L267-A333 HydrophobicContact CD1-CB 4.29Å; L267-L337 HydrophobicContact CD1-CD1 3.8Å; L267-L337 HydrophobicContact CD2-CB 4.25Å; L267-I338 HydrophobicContact CD2-CD1 3.68Å; L267-I338 HydrophobicContact CD2-CG1 3.56Å; L267-I338 HydrophobicContact CG-CD1 4.33Å
268H91.9Very high92Very high0 Ų052.6 Ų52.60%027%0.267CS..THydrogen-bonded Turntrans-892.8179.7-6783.7000113.9T217 I218 T221 A264 I265 T266 P270 L271 L272 Y330 I338T217-H268 WeakPolarHBondContact CG2-NE2 3.29Å; I218-H268 HydrophobicContact CD1-CB 4.22Å; I218-H268 HydrophobicContact CG1-CB 3.85Å; T221-H268 PolarHBondContact OG1-CE1 3.37Å; A264-H268 PolarHBondContact O-N 2.88Å; A264-H268 PolarHBondContact O-ND1 3.36Å; I265-H268 PolarHBondContact O-N 2.91Å; T266-H268 VanDerWaalsContact C-N 3.32Å; T266-H268 PolarHBondContact O-N 3.29Å; H268-P270 VanDerWaalsContact C-CD 3.46Å; H268-P270 VanDerWaalsContact C-N 3.35Å; H268-L271 WeakPolarHBondContact O-CB 3.39Å; H268-L271 PolarHBondContact O-N 3.42Å; H268-L272 WeakPolarHBondContact O-CG 3.41Å; H268-L272 PolarHBondContact O-N 3.45Å; H268-Y330 PolarHBondContact CD2-OH 3.43Å; H268-I338 WeakPolarHBondContact CE1-CD1 3.26Å; H268-I338 VanDerWaalsContact NE2-CD1 3.26Å; H268-I338 WeakPolarHBondContact NE2-CD1 3.32Å
269W89.4Confident91.8Very high163 Ų16347.6 Ų47.662%0.61724%0.242SC*.Hα-helixtrans-53.5-42.9-178.1-174.6-99.8000114.1I265 T266 L267 L271 L272 S273I265-W269 PolarHBondContact O-N 3.48Å; I265-W269 VanDerWaalsContact O-N 3.09Å; T266-W269 VanDerWaalsContact O-CB 3.29Å; T266-W269 WeakPolarHBondContact O-CB 3.47Å; T266-W269 PolarHBondContact O-N 3.45Å; L267-W269 VanDerWaalsContact C-N 3.35Å; W269-L271 PolarHBondContact O-N 3Å; W269-L272 HydrophobicContact CE3-CD1 4.31Å; W269-L272 PolarHBondContact O-N 3.05Å; W269-L272 VanDerWaalsContact O-N 3.08Å; W269-S273 PolarHBondContact O-N 3.5Å
270P88.5Confident91.5Very high26 Ų2643.4 Ų43.417%0.16922%0.22CC..Hα-helixtrans-59.4-35.9176.9-25.136.8000112.9H268 S273 I322 M327 Y330H268-P270 VanDerWaalsContact C-CD 3.46Å; H268-P270 VanDerWaalsContact C-N 3.35Å; P270-S273 PolarHBondContact O-N 3.44Å; P270-S273 PolarHBondContact O-OG 2.95Å; P270-I322 HydrophobicContact CB-CD1 4.1Å; P270-M327 HydrophobicContact CB-SD 4.24Å; P270-Y330 HydrophobicContact CB-CD2 4.13Å; P270-Y330 HydrophobicContact CB-CG 3.94Å; P270-Y330 HydrophobicContact CG-CD2 3.93Å; P270-Y330 HydrophobicContact CG-CG 4.11Å
271L86.9Confident91.2Very high16 Ų1642.3 Ų42.38%0.08422%0.215CC..Hα-helixtrans-70.2-40.9175.1-17667000111.9F214 H268 W269 S273 S274 Y330F214-L271 HydrophobicContact CD1-CD1 4.24Å; F214-L271 HydrophobicContact CD1-CD2 3.82Å; F214-L271 HydrophobicContact CD1-CG 3.66Å; F214-L271 HydrophobicContact CE1-CD1 3.87Å; F214-L271 HydrophobicContact CE1-CD2 4.31Å; F214-L271 HydrophobicContact CE1-CG 3.75Å; H268-L271 WeakPolarHBondContact O-CB 3.39Å; H268-L271 PolarHBondContact O-N 3.42Å; W269-L271 PolarHBondContact O-N 3Å; L271-S273 PolarHBondContact O-N 3.04Å; L271-S274 PolarHBondContact O-N 3.43Å; L271-S274 PolarHBondContact O-OG 2.83Å; L271-S274 VanDerWaalsContact O-OG 3.13Å; L271-Y330 HydrophobicContact CB-CE1 4.09Å
272L88.1Confident90.9Very high27 Ų2741.4 Ų41.414%0.14121%0.208CC..Hα-helixtrans-65.7-22.5177.9-64.8175.8000113.2W210 F214 I218 I265 H268 W269 S274W210-L272 HydrophobicContact CE3-CD2 4.35Å; W210-L272 HydrophobicContact CH2-CD2 3.64Å; W210-L272 HydrophobicContact CZ2-CD2 4.45Å; W210-L272 HydrophobicContact CZ3-CD2 3.57Å; F214-L272 HydrophobicContact CB-CD2 3.92Å; F214-L272 HydrophobicContact CG-CD2 4.36Å; I218-L272 HydrophobicContact CD1-CD1 4.04Å; I218-L272 HydrophobicContact CD1-CD2 3.96Å; I218-L272 HydrophobicContact CD1-CG 4.34Å; I265-L272 HydrophobicContact CG2-CD1 4.29Å; H268-L272 WeakPolarHBondContact O-CG 3.41Å; H268-L272 PolarHBondContact O-N 3.45Å; W269-L272 HydrophobicContact CE3-CD1 4.31Å; W269-L272 PolarHBondContact O-N 3.05Å; W269-L272 VanDerWaalsContact O-N 3.08Å; L272-S274 PolarHBondContact O-N 3.36Å
273S87.7Confident90.4Very high25 Ų2539.3 Ų39.318%0.17519%0.191CC..THydrogen-bonded Turntrans-72.2-11.6178.579.30000114.3W269 P270 L271 I322W269-S273 PolarHBondContact O-N 3.5Å; P270-S273 PolarHBondContact O-N 3.44Å; P270-S273 PolarHBondContact O-OG 2.95Å; L271-S273 PolarHBondContact O-N 3.04Å; S273-I322 WeakPolarHBondContact OG-CD1 3.48Å; S273-I322 WeakPolarHBondContact OG-CG1 3.38Å
274S89.3Confident89.8Confident5 Ų534.2 Ų34.24%0.03517%0.165CC..  trans-63.2139.8-177.567.30000111.6F214 L271 L272 K318 C319F214-S274 WeakPolarHBondContact CZ-OG 3.4Å; L271-S274 PolarHBondContact O-N 3.43Å; L271-S274 PolarHBondContact O-OG 2.83Å; L271-S274 VanDerWaalsContact O-OG 3.13Å; L272-S274 PolarHBondContact O-N 3.36Å; S274-K318 WeakPolarHBondContact OG-CE 3.42Å; S274-C319 CarbonylContact C-O 3.49Å; S274-C319 VanDerWaalsContact CA-O 3.28Å; S274-C319 WeakPolarHBondContact CA-O 3.3Å
275R90.6Very high89.1Confident142 Ų14236.2 Ų36.254%0.53617%0.172SC..EExtended strand (participates in β ladder)trans-114.1147-178.5-63-58-173170.70.1111I277 C319 L321R275-I277 HydrophobicContact CB-CD1 4.42Å; R275-I277 HydrophobicContact CB-CG1 4.28Å; R275-C319 PolarHBondContact N-O 3.42Å; R275-C319 PolarHBondContact O-N 3.29Å; R275-L321 HydrophobicContact CB-CD1 4.26Å; R275-L321 HydrophobicContact CG-CD1 3.68Å; R275-L321 HydrophobicContact CG-CG 4.41Å
276F90.9Very high88.1Confident12 Ų1237.1 Ų37.15%0.05319%0.186CC..EExtended strand (participates in β ladder)trans-101.4119.5173.3-64.4-87.4000108.3Y87 M202 E206 A209 F214 V316 M317 K318Y87-F276 HydrophobicContact CD1-CD1 4.09Å; Y87-F276 AromaticContact CD1-CE1 3.59Å; Y87-F276 HydrophobicContact CD1-CE1 3.59Å; Y87-F276 AromaticContact CD2-CE1 3.97Å; Y87-F276 HydrophobicContact CD2-CE1 3.97Å; Y87-F276 AromaticContact CE1-CE1 3.91Å; Y87-F276 HydrophobicContact CE1-CE1 3.91Å; Y87-F276 HydrophobicContact CE2-CE1 4.27Å; Y87-F276 HydrophobicContact CG-CD1 4.22Å; Y87-F276 AromaticContact CG-CE1 3.61Å; Y87-F276 HydrophobicContact CG-CE1 3.61Å; M202-F276 HydrophobicContact CG-CB 4.21Å; E206-F276 HydrophobicContact CB-CD2 3.76Å; E206-F276 HydrophobicContact CB-CE2 4.29Å; E206-F276 HydrophobicContact CB-CG 4.32Å; E206-F276 HydrophobicContact CG-CD2 4.03Å; E206-F276 HydrophobicContact CG-CE2 4.35Å; A209-F276 HydrophobicContact CB-CE1 4.06Å; A209-F276 HydrophobicContact CB-CE2 3.81Å; A209-F276 HydrophobicContact CB-CZ 3.22Å; F214-F276 HydrophobicContact CE2-CE2 4.16Å; F214-F276 HydrophobicContact CE2-CZ 4.34Å; F214-F276 HydrophobicContact CZ-CE2 4.41Å; F214-F276 HydrophobicContact CZ-CZ 4.26Å; F276-V316 HydrophobicContact CB-CG1 3.9Å; F276-V316 HydrophobicContact CD1-CG1 3.89Å; F276-V316 HydrophobicContact CG-CG1 4.38Å; F276-M317 WeakPolarHBondContact CA-O 3.15Å; F276-K318 HydrophobicContact CD1-CB 4.22Å; F276-K318 HydrophobicContact CE1-CB 3.83Å; F276-K318 HydrophobicContact CE1-CD 4.37Å; F276-K318 HydrophobicContact CE1-CG 4.02Å; F276-K318 HydrophobicContact CZ-CB 4.45Å; F276-K318 HydrophobicContact CZ-CD 4.32Å; F276-K318 HydrophobicContact CZ-CG 4.14Å
277I90.9Very high86.8Confident5 Ų537.1 Ų37.13%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-128.6144.6-173.5-55.8177.5000108.6A40 A43 R275 F279 M317 C319A40-I277 HydrophobicContact CB-CG2 3.66Å; A43-I277 HydrophobicContact CB-CD1 3.6Å; R275-I277 HydrophobicContact CB-CD1 4.42Å; R275-I277 HydrophobicContact CB-CG1 4.28Å; I277-F279 HydrophobicContact CB-CD2 4.43Å; I277-F279 HydrophobicContact CB-CE2 3.84Å; I277-F279 HydrophobicContact CG2-CD2 4.18Å; I277-F279 HydrophobicContact CG2-CE2 3.6Å; I277-F279 HydrophobicContact CG2-CZ 3.99Å; I277-M317 PolarHBondContact N-O 2.98Å; I277-M317 PolarHBondContact O-N 3.15Å; I277-C319 HydrophobicContact CD1-CB 4.2Å
278L89.7Confident85.5Confident48 Ų4836.4 Ų36.425%0.25119%0.185SC..EExtended strand (participates in β ladder)trans-89.1131177.9-67.9165.1000110.8D200 N314 I315 V316D200-L278 WeakPolarHBondContact O-CD2 3.43Å; L278-N314 HydrophobicContact CD2-CB 4.05Å; L278-I315 WeakPolarHBondContact CA-O 3.34Å; L278-V316 HydrophobicContact CD2-CG2 3.55Å
279F91Very high84Confident0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-130.9157173.4-71.9-84.2000110.4Y33 F35 A40 V44 L80 I277 N314 I315 M317Y33-F279 HydrophobicContact CD1-CB 3.88Å; Y33-F279 HydrophobicContact CG-CB 4.37Å; F35-F279 HydrophobicContact CB-CD1 3.95Å; F35-F279 HydrophobicContact CB-CE1 4Å; F35-F279 HydrophobicContact CD1-CD1 4.49Å; F35-F279 HydrophobicContact CD1-CE1 4.26Å; F35-F279 HydrophobicContact CG-CE1 4.35Å; A40-F279 HydrophobicContact CB-CE1 3.97Å; A40-F279 HydrophobicContact CB-CZ 4.04Å; V44-F279 HydrophobicContact CG2-CE1 4.22Å; L80-F279 HydrophobicContact CD1-CE1 4.09Å; L80-F279 HydrophobicContact CD1-CE2 4.3Å; L80-F279 HydrophobicContact CD1-CZ 3.76Å; L80-F279 HydrophobicContact CD2-CD1 3.78Å; L80-F279 HydrophobicContact CD2-CD2 4.15Å; L80-F279 HydrophobicContact CD2-CE1 3.77Å; L80-F279 HydrophobicContact CD2-CE2 4.13Å; L80-F279 HydrophobicContact CD2-CG 3.97Å; L80-F279 HydrophobicContact CD2-CZ 3.95Å; I277-F279 HydrophobicContact CB-CD2 4.43Å; I277-F279 HydrophobicContact CB-CE2 3.84Å; I277-F279 HydrophobicContact CG2-CD2 4.18Å; I277-F279 HydrophobicContact CG2-CE2 3.6Å; I277-F279 HydrophobicContact CG2-CZ 3.99Å; F279-N314 CarbonylContact O-C 3.49Å; F279-N314 WeakPolarHBondContact O-CA 3.29Å; F279-I315 PolarHBondContact N-O 2.96Å; F279-I315 PolarHBondContact O-N 3.32Å; F279-M317 HydrophobicContact CB-SD 4.08Å; F279-M317 HydrophobicContact CD2-CB 4Å; F279-M317 HydrophobicContact CD2-CG 3.98Å; F279-M317 HydrophobicContact CD2-SD 3.65Å; F279-M317 HydrophobicContact CE2-CB 4.4Å; F279-M317 HydrophobicContact CE2-SD 4.35Å; F279-M317 HydrophobicContact CG-SD 4.03Å
280Q89.9Confident82.7Confident13 Ų1338.4 Ų38.46%0.06121%0.207CC..EExtended strand (participates in β ladder)trans-113.9107.4178.6-67.177.144.300109.6Y33 A34 I282 V309 L312 N314Y33-Q280 WeakPolarHBondContact CA-O 3.33Å; A34-Q280 HydrophobicContact CB-CB 4.04Å; A34-Q280 PolarHBondContact N-O 2.89Å; A34-Q280 PolarHBondContact O-N 2.98Å; A34-Q280 PolarHBondContact O-OE1 3.26Å; Q280-I282 PolarHBondContact O-N 2.97Å; Q280-V309 HydrophobicContact CG-CG1 4.39Å; Q280-L312 HydrophobicContact CB-CB 4.28Å; Q280-L312 HydrophobicContact CG-CB 4.01Å; Q280-N314 VanDerWaalsContact CG-OD1 3.32Å; Q280-N314 WeakPolarHBondContact CG-OD1 3.44Å; Q280-N314 VanDerWaalsContact NE2-CG 3.31Å; Q280-N314 PolarHBondContact NE2-OD1 3.16Å
281P89.9Confident81Confident0 Ų042.7 Ų42.70%023%0.229CC..EExtended strand (participates in β ladder)trans-76.7122-177.130-30.7000111F32 Y33 A191 Y195 Y196 I315F32-P281 WeakPolarHBondContact O-CA 3.49Å; Y33-P281 HydrophobicContact CD1-CB 3.98Å; Y33-P281 HydrophobicContact CE1-CB 3.74Å; A191-P281 HydrophobicContact CB-CB 3.73Å; A191-P281 HydrophobicContact CB-CG 4.31Å; A191-P281 WeakPolarHBondContact CB-O 3.49Å; A191-P281 PolarHBondContact N-O 3.06Å; Y195-P281 HydrophobicContact CD1-CB 4.31Å; Y196-P281 HydrophobicContact CD1-CG 4.29Å; Y196-P281 HydrophobicContact CE1-CG 3.57Å; Y196-P281 HydrophobicContact CE2-CG 4.26Å; Y196-P281 PolarHBondContact OH-O 3.43Å; P281-I315 HydrophobicContact CG-CD1 4.2Å; P281-I315 HydrophobicContact CG-CG1 4.38Å; P281-I315 HydrophobicContact CG-CG2 3.97Å
282I89.1Confident79.6Confident0 Ų043.2 Ų43.20%023%0.234CC..EExtended strand (participates in β ladder)trans-132.3155.3-177.558.1178.1000109.9F32 A34 W188 Q280 L305 L312F32-I282 HydrophobicContact CB-CG1 4.02Å; F32-I282 PolarHBondContact N-O 2.95Å; F32-I282 PolarHBondContact O-N 3.24Å; A34-I282 HydrophobicContact CB-CD1 3.81Å; A34-I282 HydrophobicContact CB-CG1 4.5Å; W188-I282 HydrophobicContact CD2-CD1 3.84Å; W188-I282 HydrophobicContact CE3-CB 4.08Å; W188-I282 HydrophobicContact CE3-CD1 3.49Å; W188-I282 VanDerWaalsContact CE3-CD1 3.49Å; W188-I282 HydrophobicContact CE3-CG1 3.77Å; W188-I282 HydrophobicContact CH2-CD1 4.05Å; W188-I282 HydrophobicContact CZ2-CD1 4.38Å; W188-I282 HydrophobicContact CZ3-CD1 3.61Å; W188-I282 HydrophobicContact CZ3-CG1 3.83Å; Q280-I282 PolarHBondContact O-N 2.97Å; I282-L305 HydrophobicContact CD1-CD1 4.05Å; I282-L305 HydrophobicContact CD1-CD2 3.42Å; I282-L305 VanDerWaalsContact CD1-CD2 3.42Å; I282-L305 HydrophobicContact CD1-CG 4.38Å; I282-L312 HydrophobicContact CG2-CD1 3.94Å
283Q86.4Confident78.1Confident27 Ų2743.2 Ų43.213%0.12623%0.234CC..EExtended strand (participates in β ladder)trans-132.4157.7172.169.4-1728.300109.3E189 L190E189-Q283 HydrophobicContact CG-CG 3.31Å; E189-Q283 PolarHBondContact N-O 3.4Å; E189-Q283 PolarHBondContact O-N 3.31Å; E189-Q283 PolarHBondContact OE1-NE2 3.06Å; L190-Q283 PolarHBondContact O-NE2 2.86Å
284L83.1Confident76.5Confident2 Ų247.6 Ų47.61%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-78142.6174.6-73.9167.2000109.9F18 I19 F22 F32 W188 S286 I288F18-L284 HydrophobicContact CE1-CD1 4.47Å; F18-L284 HydrophobicContact CZ-CD1 4.46Å; I19-L284 HydrophobicContact CG1-CD2 4.33Å; F22-L284 HydrophobicContact CB-CD1 4.31Å; F22-L284 HydrophobicContact CD1-CD1 3.22Å; F22-L284 HydrophobicContact CD2-CD1 3.68Å; F22-L284 HydrophobicContact CE1-CB 4.31Å; F22-L284 HydrophobicContact CE1-CD1 3.29Å; F22-L284 HydrophobicContact CE1-CG 4.42Å; F22-L284 HydrophobicContact CE2-CD1 3.75Å; F22-L284 HydrophobicContact CG-CD1 3.42Å; F22-L284 VanDerWaalsContact CG-CD1 3.42Å; F22-L284 HydrophobicContact CZ-CD1 3.57Å; F32-L284 HydrophobicContact CE2-CD1 3.94Å; F32-L284 HydrophobicContact CE2-CG 4.29Å; F32-L284 HydrophobicContact CZ-CD1 4.46Å; W188-L284 HydrophobicContact CD2-CD2 3.83Å; W188-L284 HydrophobicContact CE3-CD2 3.68Å; W188-L284 HydrophobicContact CE3-CG 3.96Å; W188-L284 HydrophobicContact CH2-CD2 3.94Å; W188-L284 HydrophobicContact CH2-CG 4.16Å; W188-L284 HydrophobicContact CZ2-CD2 4.05Å; W188-L284 HydrophobicContact CZ3-CD2 3.75Å; W188-L284 HydrophobicContact CZ3-CG 3.72Å; L284-S286 PolarHBondContact O-N 3.19Å; L284-I288 HydrophobicContact CB-CD1 4.3Å; L284-I288 HydrophobicContact CD2-CD1 4.2Å
285K81.5Confident74.7Confident45 Ų4553 Ų5320%0.19628%0.278CS..  trans-60.8134.7174.1-72.5176.9178.8165.80109.3L183 N184 T186 Y187 W188 E189 S287 I288L183-K285 PolarHBondContact O-NZ 3.05Å; N184-K285 PolarHBondContact O-NZ 3.35Å; T186-K285 WeakPolarHBondContact O-CE 3.27Å; T186-K285 PolarHBondContact O-NZ 3.44Å; Y187-K285 PolarHBondContact O-N 2.67Å; W188-K285 VanDerWaalsContact O-CE 3.26Å; W188-K285 WeakPolarHBondContact O-CE 3.42Å; E189-K285 HydrophobicContact CB-CG 4.08Å; E189-K285 HydrophobicContact CG-CG 4.28Å; K285-S287 PolarHBondContact O-N 3.28Å; K285-I288 HydrophobicContact CB-CD1 4.3Å; K285-I288 HydrophobicContact CB-CG1 4.03Å; K285-I288 WeakPolarHBondContact O-CD1 3.47Å; K285-I288 VanDerWaalsContact O-CG1 3.26Å; K285-I288 WeakPolarHBondContact O-CG1 3.32Å
286S70.9Confident72.9Confident96 Ų9648.9 Ų48.967%0.67127%0.267SS*.THydrogen-bonded Turntrans-66.8-20.9177.757.30000113.7L284 I288L284-S286 PolarHBondContact O-N 3.19Å; S286-I288 VanDerWaalsContact C-N 3.35Å; S286-I288 PolarHBondContact O-N 3.46Å
287S66Low71.1Confident91 Ų9154.8 Ų54.864%0.63630%0.295SS*.THydrogen-bonded Turntrans-88.610.7-173.460.80000115.2K285 T289K285-S287 PolarHBondContact O-N 3.28Å; S287-T289 PolarHBondContact O-N 3.48Å; S287-T289 VanDerWaalsContact O-N 3.17Å
288I64.1Low69.1Low21 Ų2165.8 Ų65.811%0.10834%0.336CS..  trans-76.1108.6-178.5-51.8165.1000109L23 Y187 L284 K285 S286L23-I288 HydrophobicContact CD1-CB 4.36Å; L23-I288 HydrophobicContact CD1-CG2 3.37Å; L23-I288 HydrophobicContact CD2-CB 3.62Å; L23-I288 HydrophobicContact CD2-CD1 4.42Å; L23-I288 HydrophobicContact CD2-CG2 3.57Å; L23-I288 HydrophobicContact CG-CG2 4.02Å; Y187-I288 HydrophobicContact CD1-CD1 4.15Å; Y187-I288 HydrophobicContact CD1-CG1 4.07Å; Y187-I288 HydrophobicContact CD1-CG2 4.05Å; Y187-I288 HydrophobicContact CE1-CG2 4.29Å; L284-I288 HydrophobicContact CB-CD1 4.3Å; L284-I288 HydrophobicContact CD2-CD1 4.2Å; K285-I288 HydrophobicContact CB-CD1 4.3Å; K285-I288 HydrophobicContact CB-CG1 4.03Å; K285-I288 WeakPolarHBondContact O-CD1 3.47Å; K285-I288 VanDerWaalsContact O-CG1 3.26Å; K285-I288 WeakPolarHBondContact O-CG1 3.32Å; S286-I288 VanDerWaalsContact C-N 3.35Å; S286-I288 PolarHBondContact O-N 3.46Å
289T61Low67.1Low79 Ų7965.3 Ų65.349%0.48534%0.339SS..  trans-95.4152.9168.957.40000110.3S287 D291 S292S287-T289 PolarHBondContact O-N 3.48Å; S287-T289 VanDerWaalsContact O-N 3.17Å; T289-D291 PolarHBondContact O-N 3.01Å; T289-S292 PolarHBondContact N-OG 2.89Å; T289-S292 WeakPolarHBondContact O-CB 3.48Å; T289-S292 PolarHBondContact O-N 3.05Å; T289-S292 PolarHBondContact O-OG 3.34Å; T289-S292 PolarHBondContact OG1-N 3.26Å
290E60.3Low65.1Low127 Ų12773.8 Ų73.859%0.59338%0.384SS*.Hα-helixtrans-54.2-36172.7-75.3-169.315400111.9S292 L293E290-S292 VanDerWaalsContact C-N 3.27Å; E290-S292 PolarHBondContact O-N 3.05Å; E290-L293 WeakPolarHBondContact O-CB 3.43Å; E290-L293 PolarHBondContact O-N 3.48Å; E290-L293 VanDerWaalsContact O-N 3.13Å
291D54.1Low63.7Low116 Ų11676.8 Ų76.862%0.6241%0.407SS*.Hα-helixtrans-59.4-34.8175.3-69.4-25.4000112.9T289 L293 H294 I295T289-D291 PolarHBondContact O-N 3.01Å; D291-L293 VanDerWaalsContact C-N 3.29Å; D291-L293 PolarHBondContact O-N 2.9Å; D291-H294 PolarHBondContact O-N 3.09Å; D291-I295 VanDerWaalsContact O-CG1 3.31Å; D291-I295 WeakPolarHBondContact O-CG1 3.33Å; D291-I295 PolarHBondContact O-N 3.36Å
292S56.3Low62.4Low26 Ų2678.5 Ų78.518%0.18242%0.417CS..Hα-helixtrans-67.6-26.6178.577.30000113.2T289 E290 N296T289-S292 PolarHBondContact N-OG 2.89Å; T289-S292 WeakPolarHBondContact O-CB 3.48Å; T289-S292 PolarHBondContact O-N 3.05Å; T289-S292 PolarHBondContact O-OG 3.34Å; T289-S292 PolarHBondContact OG1-N 3.26Å; E290-S292 VanDerWaalsContact C-N 3.27Å; E290-S292 PolarHBondContact O-N 3.05Å; S292-N296 WeakPolarHBondContact O-CB 3.37Å; S292-N296 PolarHBondContact O-N 3.49Å; S292-N296 PolarHBondContact O-ND2 3.49Å
293L58.3Low61.6Low27 Ų2782.3 Ų82.314%0.14144%0.435CS..Hα-helixtrans-70-36.3173.6-80.1165.7000111.5I19 K20 L23 Y187 E290 D291I19-L293 HydrophobicContact CG2-CD2 4.4Å; K20-L293 HydrophobicContact CB-CD1 4.15Å; K20-L293 HydrophobicContact CG-CD1 4.26Å; L23-L293 HydrophobicContact CD1-CD1 3.4Å; L23-L293 VanDerWaalsContact CD1-CD1 3.4Å; L23-L293 HydrophobicContact CD1-CG 4.17Å; Y187-L293 HydrophobicContact CE1-CD2 4.41Å; Y187-L293 HydrophobicContact CE2-CD2 4.38Å; E290-L293 WeakPolarHBondContact O-CB 3.43Å; E290-L293 PolarHBondContact O-N 3.48Å; E290-L293 VanDerWaalsContact O-N 3.13Å; D291-L293 VanDerWaalsContact C-N 3.29Å; D291-L293 PolarHBondContact O-N 2.9Å
294H53.9Low61.3Low118 Ų11881.3 Ų81.355%0.54643%0.431SS..Hα-helixtrans-79.6-39.4178.1-81.2-67.8000113.1D291 N296 Q297D291-H294 PolarHBondContact O-N 3.09Å; H294-N296 PolarHBondContact O-N 2.89Å; H294-Q297 PolarHBondContact O-N 3.34Å
295I51.7Low61.3Low117 Ų11781.3 Ų81.360%0.643%0.431SS*.Hα-helixtrans-64.6-40.6178.4-66.4165.6000110.9D291 Q297 R298D291-I295 VanDerWaalsContact O-CG1 3.31Å; D291-I295 WeakPolarHBondContact O-CG1 3.33Å; D291-I295 PolarHBondContact O-N 3.36Å; I295-Q297 VanDerWaalsContact C-N 3.29Å; I295-Q297 PolarHBondContact O-N 3.33Å; I295-R298 PolarHBondContact O-N 2.74Å
296N52.5Low61.3Low56 Ų5682.2 Ų82.230%0.29943%0.433SS..G310 helixtrans-74.8-11.4180-75-15.2000114.3Y187 S292 H294 R298 A299 V302Y187-N296 PolarHBondContact OH-ND2 3.48Å; S292-N296 WeakPolarHBondContact O-CB 3.37Å; S292-N296 PolarHBondContact O-N 3.49Å; S292-N296 PolarHBondContact O-ND2 3.49Å; H294-N296 PolarHBondContact O-N 2.89Å; N296-R298 PolarHBondContact O-N 3.48Å; N296-A299 CarbonylContact O-C 3.49Å; N296-A299 PolarHBondContact O-N 3.25Å; N296-A299 VanDerWaalsContact O-N 3.07Å; N296-V302 HydrophobicContact CB-CG2 3.82Å
297Q51.9Low61.8Low136 Ų13680.7 Ų80.764%0.63642%0.417SS*.G310 helixtrans-64.7-27169.5-78.3177-18.900112.2H294 I295 A299H294-Q297 PolarHBondContact O-N 3.34Å; I295-Q297 VanDerWaalsContact C-N 3.29Å; I295-Q297 PolarHBondContact O-N 3.33Å; Q297-A299 VanDerWaalsContact C-N 3.31Å
298R49.8Very low62.6Low237 Ų23776.6 Ų76.689%0.89439%0.388SS*.G310 helixtrans-76.5-19.3172-76.4-179.81781590.8112.9I295 N296I295-R298 PolarHBondContact O-N 2.74Å; N296-R298 PolarHBondContact O-N 3.48Å
299A46.9Very low63.6Low37 Ų3775.7 Ų75.731%0.30638%0.383SS..  trans-93.5107.8177.300000109.5N296 Q297 S301N296-A299 CarbonylContact O-C 3.49Å; N296-A299 PolarHBondContact O-N 3.25Å; N296-A299 VanDerWaalsContact O-N 3.07Å; Q297-A299 VanDerWaalsContact C-N 3.31Å; A299-S301 PolarHBondContact O-N 3Å
300N50.4Low64.7Low178 Ų17878.9 Ų78.995%0.95239%0.388SS*.THydrogen-bonded Turntrans-61.818.2170.2-77.2-20.3000114
301S58.6Low65.9Low77 Ų7776.1 Ų76.154%0.53838%0.377SS..THydrogen-bonded Turntrans-121.4-2.5-160.465.50000116.3A299 Q303A299-S301 PolarHBondContact O-N 3Å; S301-Q303 PolarHBondContact O-N 3.4Å
302V63.5Low67.4Low35 Ų3571 Ų7121%0.21235%0.349CS..  trans-78.1110.5176.8-178.60000109.4N185 Y187 N296N185-V302 WeakPolarHBondContact O-CA 3.39Å; N185-V302 WeakPolarHBondContact O-CG1 3.37Å; Y187-V302 HydrophobicContact CD2-CG1 4.19Å; Y187-V302 HydrophobicContact CE2-CG1 3.78Å; N296-V302 HydrophobicContact CB-CG2 3.82Å
303Q73.3Confident68.9Low80 Ų8070 Ų7037%0.37434%0.343SS..  trans-73.3142.1176.5-167.468.5-2.200109.6N185 T186 S301 N307 I308N185-Q303 PolarHBondContact O-N 2.77Å; T186-Q303 HydrophobicContact CG2-CB 4.27Å; T186-Q303 VanDerWaalsContact CG2-O 3.28Å; T186-Q303 WeakPolarHBondContact CG2-O 3.2Å; S301-Q303 PolarHBondContact O-N 3.4Å; Q303-N307 HydrophobicContact CG-CB 4.19Å; Q303-N307 PolarHBondContact NE2-ND2 2.77Å; Q303-I308 HydrophobicContact CG-CG2 4.06Å
304C78.8Confident70.3Confident7 Ų771 Ų715%0.04735%0.348CS..  trans-88.4150.1174.878.90000111.4C12 E15 W306 N307C12-C304 HydrophobicContact CB-CB 3.32Å; C12-C304 WeakPolarHBondContact CB-SG 3.45Å; C12-C304 WeakPolarHBondContact SG-CB 3.24Å; C12-C304 CovalentContact SG-SG 2.05Å; C12-C304 PolarHBondContact SG-SG 3.34Å; E15-C304 WeakPolarHBondContact OE2-CA 3.06Å; E15-C304 WeakPolarHBondContact OE2-CB 3.47Å; C304-W306 VanDerWaalsContact C-N 3.25Å; C304-W306 PolarHBondContact O-N 2.95Å; C304-N307 PolarHBondContact O-N 3.4Å; C304-N307 VanDerWaalsContact O-N 3.16Å
305L83.3Confident71.8Confident1 Ų165.5 Ų65.51%0.00532%0.323CS..G310 helixtrans-52.8-43.7-17617965.3000111.5E15 A34 V74 W188 I282 N307 I308 V309 L312E15-L305 WeakPolarHBondContact OE1-CB 3.32Å; E15-L305 PolarHBondContact OE1-N 3.48Å; E15-L305 WeakPolarHBondContact OE2-CB 3.35Å; E15-L305 PolarHBondContact OE2-N 3.3Å; A34-L305 HydrophobicContact CB-CD2 4.23Å; V74-L305 HydrophobicContact CG2-CD2 3.46Å; V74-L305 VanDerWaalsContact CG2-CD2 3.46Å; W188-L305 HydrophobicContact CD2-CD2 4.36Å; W188-L305 HydrophobicContact CG-CD1 4.25Å; W188-L305 HydrophobicContact CZ2-CD2 4.16Å; I282-L305 HydrophobicContact CD1-CD1 4.05Å; I282-L305 HydrophobicContact CD1-CD2 3.42Å; I282-L305 VanDerWaalsContact CD1-CD2 3.42Å; I282-L305 HydrophobicContact CD1-CG 4.38Å; L305-N307 PolarHBondContact O-N 2.97Å; L305-N307 VanDerWaalsContact O-N 3.08Å; L305-I308 HydrophobicContact CD1-CG1 4.41Å; L305-I308 CarbonylContact O-C 3.55Å; L305-I308 WeakPolarHBondContact O-CG1 3.39Å; L305-I308 PolarHBondContact O-N 3.13Å; L305-V309 HydrophobicContact CD1-CG2 4.11Å; L305-V309 HydrophobicContact CD2-CG2 4.46Å; L305-V309 HydrophobicContact CG-CG2 3.7Å; L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 3.47Å; L305-L312 HydrophobicContact CD1-CD1 3.98Å
306W81Confident73.5Confident65 Ų6559.9 Ų59.925%0.24629%0.294CS..G310 helixtrans-49.2-39.7-179.6-176.1-97.4000113.5H11 N36 C304 I308H11-W306 HydrophobicContact CB-CB 4.18Å; H11-W306 HydrophobicContact CB-CG 4.12Å; N36-W306 VanDerWaalsContact OD1-CH2 3.29Å; N36-W306 WeakPolarHBondContact OD1-CH2 3.47Å; C304-W306 VanDerWaalsContact C-N 3.25Å; C304-W306 PolarHBondContact O-N 2.95Å; W306-I308 PolarHBondContact O-N 3.17Å
307N81.1Confident75.3Confident63 Ų6357.2 Ų57.234%0.33728%0.28SS..G310 helixtrans-78-5.7-177.7-66.8-16.5000113.8Q303 C304 L305 Y310Q303-N307 HydrophobicContact CG-CB 4.19Å; Q303-N307 PolarHBondContact NE2-ND2 2.77Å; C304-N307 PolarHBondContact O-N 3.4Å; C304-N307 VanDerWaalsContact O-N 3.16Å; L305-N307 PolarHBondContact O-N 2.97Å; L305-N307 VanDerWaalsContact O-N 3.08Å; N307-Y310 WeakPolarHBondContact O-CE1 3.47Å; N307-Y310 PolarHBondContact O-OH 3.26Å
308I83.5Confident77Confident6 Ų652.7 Ų52.73%0.03126%0.258CS..THydrogen-bonded Turntrans-125.4-12.7-179.960.1167.1000113.1L182 L183 T186 Q303 L305 W306 Y310 N311 L312L182-I308 HydrophobicContact CB-CB 4.5Å; L182-I308 HydrophobicContact CB-CG2 4.26Å; L182-I308 HydrophobicContact CD2-CG2 4.43Å; L183-I308 HydrophobicContact CD2-CD1 3.57Å; L183-I308 HydrophobicContact CG-CD1 4.11Å; T186-I308 HydrophobicContact CG2-CD1 3.6Å; Q303-I308 HydrophobicContact CG-CG2 4.06Å; L305-I308 HydrophobicContact CD1-CG1 4.41Å; L305-I308 CarbonylContact O-C 3.55Å; L305-I308 WeakPolarHBondContact O-CG1 3.39Å; L305-I308 PolarHBondContact O-N 3.13Å; W306-I308 PolarHBondContact O-N 3.17Å; I308-Y310 PolarHBondContact O-N 2.97Å; I308-Y310 VanDerWaalsContact O-N 3.1Å; I308-N311 PolarHBondContact O-N 3.32Å; I308-L312 PolarHBondContact O-N 3.46Å
309V85.1Confident78.9Confident1 Ų141.4 Ų41.41%0.00622%0.215CC..G310 helixtrans-49.2-42.9-176.8175.40000112.2A34 N36 Q280 L305 N311 L312A34-V309 HydrophobicContact CB-CG1 4.21Å; A34-V309 HydrophobicContact CB-CG2 4.26Å; N36-V309 HydrophobicContact CB-CG1 4.24Å; Q280-V309 HydrophobicContact CG-CG1 4.39Å; L305-V309 HydrophobicContact CD1-CG2 4.11Å; L305-V309 HydrophobicContact CD2-CG2 4.46Å; L305-V309 HydrophobicContact CG-CG2 3.7Å; L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 3.47Å; V309-N311 PolarHBondContact O-N 3.28Å; V309-L312 WeakPolarHBondContact O-CB 3.41Å; V309-L312 PolarHBondContact O-N 2.96Å; V309-L312 VanDerWaalsContact O-N 3.11Å
310Y84.1Confident80.8Confident146 Ų14641.9 Ų41.957%0.57321%0.211SC*.G310 helixtrans-66-19-177.260.6-93.4000114.1N307 I308N307-Y310 WeakPolarHBondContact O-CE1 3.47Å; N307-Y310 PolarHBondContact O-OH 3.26Å; I308-Y310 PolarHBondContact O-N 2.97Å; I308-Y310 VanDerWaalsContact O-N 3.1Å
311N84.6Confident82.3Confident70 Ų7036.6 Ų36.637%0.37418%0.182SC..G310 helixtrans-96.9-4.3177.5-71.8-27.4000113.1L182 I308 V309L182-N311 HydrophobicContact CD1-CB 3.56Å; I308-N311 PolarHBondContact O-N 3.32Å; V309-N311 PolarHBondContact O-N 3.28Å
312L87.3Confident83.4Confident7 Ų734.8 Ų34.84%0.03717%0.166CC..SBendtrans-76.5153.6178.7-63.4-179.7000110.8A179 L183 L190 Q280 I282 L305 I308 V309 N314A179-L312 HydrophobicContact CB-CD2 3.94Å; L183-L312 HydrophobicContact CD1-CD2 3.69Å; L183-L312 HydrophobicContact CD2-CD2 4.18Å; L183-L312 HydrophobicContact CG-CD2 3.89Å; L190-L312 HydrophobicContact CD2-CD2 4.33Å; Q280-L312 HydrophobicContact CB-CB 4.28Å; Q280-L312 HydrophobicContact CG-CB 4.01Å; I282-L312 HydrophobicContact CG2-CD1 3.94Å; L305-L312 HydrophobicContact CD1-CD1 3.98Å; I308-L312 PolarHBondContact O-N 3.46Å; V309-L312 WeakPolarHBondContact O-CB 3.41Å; V309-L312 PolarHBondContact O-N 2.96Å; V309-L312 VanDerWaalsContact O-N 3.11Å; L312-N314 PolarHBondContact O-OD1 3Å
313P87.5Confident84.1Confident6 Ų637.5 Ų37.54%0.03918%0.177CC..PPolyproline II helixtrans-64.1135.817126.2-33.8000110.8F176 L190 Y196F176-P313 HydrophobicContact CD1-CG 4.23Å; F176-P313 HydrophobicContact CE1-CB 4.2Å; F176-P313 HydrophobicContact CE1-CG 3.99Å; F176-P313 HydrophobicContact CZ-CB 4.46Å; L190-P313 HydrophobicContact CD2-CG 3.78Å; Y196-P313 HydrophobicContact CD1-CB 4.05Å; Y196-P313 HydrophobicContact CD1-CG 4.22Å; Y196-P313 HydrophobicContact CE1-CB 3.63Å; Y196-P313 HydrophobicContact CE1-CG 3.41Å; Y196-P313 VanDerWaalsContact CE1-CG 3.41Å
314N87.1Confident84.1Confident49 Ų4936.6 Ų36.626%0.26218%0.178SC..PPolyproline II helixtrans-103.7150.7-177.2-50.3-23.8000110.2L278 F279 Q280 L312L278-N314 HydrophobicContact CD2-CB 4.05Å; F279-N314 CarbonylContact O-C 3.49Å; F279-N314 WeakPolarHBondContact O-CA 3.29Å; Q280-N314 VanDerWaalsContact CG-OD1 3.32Å; Q280-N314 WeakPolarHBondContact CG-OD1 3.44Å; Q280-N314 VanDerWaalsContact NE2-CG 3.31Å; Q280-N314 PolarHBondContact NE2-OD1 3.16Å; L312-N314 PolarHBondContact O-OD1 3Å
315I86.1Confident84.1Confident1 Ų140.1 Ų40.11%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-123148167.871.7167.7000110.1Y33 Y196 T198 L278 F279 P281 M317Y33-I315 HydrophobicContact CD1-CD1 4.5Å; Y33-I315 HydrophobicContact CE1-CD1 3.68Å; Y33-I315 HydrophobicContact CE1-CG1 4.49Å; Y196-I315 HydrophobicContact CD1-CG2 3.96Å; Y196-I315 HydrophobicContact CE1-CG2 4.36Å; T198-I315 WeakPolarHBondContact OG1-CB 3.41Å; T198-I315 WeakPolarHBondContact OG1-CG2 3.32Å; L278-I315 WeakPolarHBondContact CA-O 3.34Å; F279-I315 PolarHBondContact N-O 2.96Å; F279-I315 PolarHBondContact O-N 3.32Å; P281-I315 HydrophobicContact CG-CD1 4.2Å; P281-I315 HydrophobicContact CG-CG1 4.38Å; P281-I315 HydrophobicContact CG-CG2 3.97Å; I315-M317 HydrophobicContact CD1-CG 4.2Å; I315-M317 HydrophobicContact CG1-CG 4.31Å
316V87.5Confident84.1Confident0 Ų046.4 Ų46.40%022%0.223CC..EExtended strand (participates in β ladder)trans-88.5126.9172.7178.40000109.6Y87 S199 F276 L278Y87-V316 PolarHBondContact N-O 3.07Å; S199-V316 WeakPolarHBondContact O-CB 3.34Å; S199-V316 WeakPolarHBondContact O-CG2 3.43Å; S199-V316 PolarHBondContact O-N 3.17Å; F276-V316 HydrophobicContact CB-CG1 3.9Å; F276-V316 HydrophobicContact CD1-CG1 3.89Å; F276-V316 HydrophobicContact CG-CG1 4.38Å; L278-V316 HydrophobicContact CD2-CG2 3.55Å
317M89.1Confident84.2Confident0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-112.1141.1169.8-61.2-176.677.700110.4Y33 L80 C84 G85 F276 I277 F279 I315Y33-M317 HydrophobicContact CD1-SD 4.16Å; Y33-M317 HydrophobicContact CE1-SD 3.91Å; Y33-M317 HydrophobicContact CE2-CE 4.3Å; Y33-M317 HydrophobicContact CE2-SD 4.43Å; L80-M317 HydrophobicContact CD2-CE 4.03Å; L80-M317 HydrophobicContact CD2-SD 3.61Å; L80-M317 HydrophobicContact CG-CE 4.24Å; L80-M317 HydrophobicContact CG-SD 4.38Å; C84-M317 HydrophobicContact CB-CB 4.22Å; C84-M317 HydrophobicContact CB-CE 3.82Å; C84-M317 HydrophobicContact CB-SD 4.49Å; G85-M317 CarbonylContact O-C 3.58Å; G85-M317 WeakPolarHBondContact O-CA 3.41Å; G85-M317 WeakPolarHBondContact O-CB 3.43Å; F276-M317 WeakPolarHBondContact CA-O 3.15Å; I277-M317 PolarHBondContact N-O 2.98Å; I277-M317 PolarHBondContact O-N 3.15Å; F279-M317 HydrophobicContact CB-SD 4.08Å; F279-M317 HydrophobicContact CD2-CB 4Å; F279-M317 HydrophobicContact CD2-CG 3.98Å; F279-M317 HydrophobicContact CD2-SD 3.65Å; F279-M317 HydrophobicContact CE2-CB 4.4Å; F279-M317 HydrophobicContact CE2-SD 4.35Å; F279-M317 HydrophobicContact CG-SD 4.03Å; I315-M317 HydrophobicContact CD1-CG 4.2Å; I315-M317 HydrophobicContact CG1-CG 4.31Å
318K89.2Confident84.2Confident41 Ų4144.1 Ų44.118%0.17822%0.215CC..EExtended strand (participates in β ladder)trans-88.7118.8169.6178.6-174.8173-171.80108.7C84 G85 Y87 S274 F276C84-K318 CarbonylContact C-O 3.5Å; C84-K318 VanDerWaalsContact CA-O 3.25Å; C84-K318 WeakPolarHBondContact CA-O 3.27Å; G85-K318 PolarHBondContact N-O 3.29Å; G85-K318 PolarHBondContact O-N 3.47Å; Y87-K318 HydrophobicContact CD2-CB 4.21Å; Y87-K318 HydrophobicContact CD2-CD 4.26Å; Y87-K318 HydrophobicContact CG-CB 4.35Å; S274-K318 WeakPolarHBondContact OG-CE 3.42Å; F276-K318 HydrophobicContact CD1-CB 4.22Å; F276-K318 HydrophobicContact CE1-CB 3.83Å; F276-K318 HydrophobicContact CE1-CD 4.37Å; F276-K318 HydrophobicContact CE1-CG 4.02Å; F276-K318 HydrophobicContact CZ-CB 4.45Å; F276-K318 HydrophobicContact CZ-CD 4.32Å; F276-K318 HydrophobicContact CZ-CG 4.14Å
319C89.5Confident84.4Confident0 Ų050.1 Ų50.10%024%0.241CC..EExtended strand (participates in β ladder)trans-114.2139.9-177.3-60.10000112.3I83 C84 S274 R275 I277I83-C319 CarbonylContact O-C 3.31Å; I83-C319 WeakPolarHBondContact O-CA 3.07Å; C84-C319 HydrophobicContact CB-CB 4.08Å; C84-C319 WeakPolarHBondContact CB-SG 3.37Å; C84-C319 WeakPolarHBondContact SG-CB 3.4Å; C84-C319 CovalentContact SG-SG 2.03Å; C84-C319 PolarHBondContact SG-SG 3.27Å; S274-C319 CarbonylContact C-O 3.49Å; S274-C319 VanDerWaalsContact CA-O 3.28Å; S274-C319 WeakPolarHBondContact CA-O 3.3Å; R275-C319 PolarHBondContact N-O 3.42Å; R275-C319 PolarHBondContact O-N 3.29Å; I277-C319 HydrophobicContact CD1-CB 4.2Å
320H86.7Confident84.5Confident46 Ų4650.5 Ų50.521%0.21324%0.242CC..  trans-103.1104174.1-66.6-75.4000109.7I83 I322 M327I83-H320 PolarHBondContact O-N 3Å; H320-I322 PolarHBondContact O-N 3.16Å; H320-M327 HydrophobicContact CB-CE 4.41Å; H320-M327 VanDerWaalsContact CE1-CE 3.47Å; H320-M327 WeakPolarHBondContact CE1-CE 3.23Å; H320-M327 VanDerWaalsContact ND1-CE 3.26Å; H320-M327 WeakPolarHBondContact ND1-CE 3.45Å
321L81.9Confident84.5Confident67 Ų6746.5 Ų46.535%0.35123%0.228SC..  trans-88.829.6-178-58.2178.1000112.8A43 F46 R275A43-L321 HydrophobicContact CB-CD2 3.85Å; F46-L321 HydrophobicContact CD1-CD2 4.39Å; R275-L321 HydrophobicContact CB-CD1 4.26Å; R275-L321 HydrophobicContact CG-CD1 3.68Å; R275-L321 HydrophobicContact CG-CG 4.41Å
322I80.9Confident84.6Confident39 Ų3947.8 Ų47.820%0.223%0.229CC..SBendtrans-118.4146.4177.1-67.2-176000107F46 P270 S273 H320 Y326F46-I322 VanDerWaalsContact CZ-C 3.48Å; P270-I322 HydrophobicContact CB-CD1 4.1Å; S273-I322 WeakPolarHBondContact OG-CD1 3.48Å; S273-I322 WeakPolarHBondContact OG-CG1 3.38Å; H320-I322 PolarHBondContact O-N 3.16Å; I322-Y326 VanDerWaalsContact CG2-CB 3.48Å; I322-Y326 HydrophobicContact CG2-CD2 3.73Å; I322-Y326 HydrophobicContact CG2-CG 4.02Å
323Q78Confident84.7Confident93 Ų9348.8 Ų48.844%0.43524%0.238SC..  trans-52.4137.1177.4-63.2179.7-3600110.9V325 Y326 M327Q323-V325 PolarHBondContact O-N 2.91Å; Q323-Y326 HydrophobicContact CB-CD2 3.72Å; Q323-Y326 HydrophobicContact CB-CE2 4.05Å; Q323-Y326 HydrophobicContact CG-CD2 4.32Å; Q323-Y326 HydrophobicContact CG-CE2 4.21Å; Q323-Y326 PolarHBondContact O-N 3.26Å; Q323-M327 PolarHBondContact O-N 3.34Å
324P74.4Confident84.7Confident61 Ų6151.1 Ų51.140%0.39625%0.246SC..Hα-helixtrans-50.4-36.3-180-29.134.6000113.1L50 Y326 M327 I328L50-P324 HydrophobicContact CD1-CG 3.92Å; L50-P324 VanDerWaalsContact CD2-CD 3.42Å; L50-P324 HydrophobicContact CD2-CG 4.18Å; P324-Y326 PolarHBondContact O-N 3.2Å; P324-M327 WeakPolarHBondContact O-CB 3.4Å; P324-M327 PolarHBondContact O-N 3.16Å; P324-M327 VanDerWaalsContact O-N 3.08Å; P324-I328 WeakPolarHBondContact O-CG1 3.19Å; P324-I328 PolarHBondContact O-N 3.01Å
325V77.4Confident84.7Confident80 Ų8049.2 Ų49.249%0.48524%0.236SC..Hα-helixtrans-54.5-47.4176176.90000112.2Q323 M327 I328 F329Q323-V325 PolarHBondContact O-N 2.91Å; V325-M327 VanDerWaalsContact C-N 3.33Å; V325-M327 PolarHBondContact O-N 3.13Å; V325-I328 WeakPolarHBondContact O-CB 3.13Å; V325-I328 PolarHBondContact O-N 2.86Å; V325-F329 HydrophobicContact CG1-CD2 3.73Å; V325-F329 HydrophobicContact CG1-CE2 3.38Å; V325-F329 WeakPolarHBondContact O-CD2 3.33Å; V325-F329 PolarHBondContact O-N 3.06Å
326Y83.3Confident84.9Confident133 Ų13353.4 Ų53.452%0.52226%0.257SS..Hα-helixtrans-69.8-30.4178.1-62.6-64.4000112.6I322 Q323 P324 F329 Y330I322-Y326 VanDerWaalsContact CG2-CB 3.48Å; I322-Y326 HydrophobicContact CG2-CD2 3.73Å; I322-Y326 HydrophobicContact CG2-CG 4.02Å; Q323-Y326 HydrophobicContact CB-CD2 3.72Å; Q323-Y326 HydrophobicContact CB-CE2 4.05Å; Q323-Y326 HydrophobicContact CG-CD2 4.32Å; Q323-Y326 HydrophobicContact CG-CE2 4.21Å; Q323-Y326 PolarHBondContact O-N 3.26Å; P324-Y326 PolarHBondContact O-N 3.2Å; Y326-F329 PolarHBondContact O-N 2.73Å; Y326-Y330 WeakPolarHBondContact O-CB 3.49Å; Y326-Y330 PolarHBondContact O-N 3.46Å
327M83.2Confident85.1Confident15 Ų1556.6 Ų56.67%0.07427%0.273CS..Hα-helixtrans-66.6-42.1173.8-72.3-65.2-69.300110.9P270 H320 Q323 P324 V325 Y330 F331P270-M327 HydrophobicContact CB-SD 4.24Å; H320-M327 HydrophobicContact CB-CE 4.41Å; H320-M327 VanDerWaalsContact CE1-CE 3.47Å; H320-M327 WeakPolarHBondContact CE1-CE 3.23Å; H320-M327 VanDerWaalsContact ND1-CE 3.26Å; H320-M327 WeakPolarHBondContact ND1-CE 3.45Å; Q323-M327 PolarHBondContact O-N 3.34Å; P324-M327 WeakPolarHBondContact O-CB 3.4Å; P324-M327 PolarHBondContact O-N 3.16Å; P324-M327 VanDerWaalsContact O-N 3.08Å; V325-M327 VanDerWaalsContact C-N 3.33Å; V325-M327 PolarHBondContact O-N 3.13Å; M327-Y330 WeakPolarHBondContact O-CB 3.18Å; M327-Y330 PolarHBondContact O-N 2.79Å; M327-F331 HydrophobicContact CB-CE2 4.35Å; M327-F331 HydrophobicContact CE-CE2 4.17Å; M327-F331 HydrophobicContact CE-CZ 4.15Å; M327-F331 WeakPolarHBondContact O-CD2 3.48Å; M327-F331 PolarHBondContact O-N 3.5Å
328I82.6Confident85Confident66 Ų6656.9 Ų56.934%0.33828%0.275SS..Hα-helixtrans-58.1-50.7172.5-69.2168.1000110.4P324 V325 Y330 F331 Y332 M454P324-I328 WeakPolarHBondContact O-CG1 3.19Å; P324-I328 PolarHBondContact O-N 3.01Å; V325-I328 WeakPolarHBondContact O-CB 3.13Å; V325-I328 PolarHBondContact O-N 2.86Å; I328-Y330 VanDerWaalsContact C-N 3.29Å; I328-Y330 PolarHBondContact O-N 2.92Å; I328-F331 PolarHBondContact O-N 3.09Å; I328-F331 VanDerWaalsContact O-N 3.12Å; I328-Y332 HydrophobicContact CG2-CD2 3.79Å; I328-Y332 HydrophobicContact CG2-CE2 3.54Å; I328-Y332 VanDerWaalsContact O-CD2 3.27Å; I328-Y332 WeakPolarHBondContact O-CD2 3.18Å; I328-Y332 PolarHBondContact O-N 3.41Å; I328-M454 HydrophobicContact CB-CE 4.42Å; I328-M454 HydrophobicContact CG1-CE 4.48Å; I328-M454 HydrophobicContact CG2-CE 3.79Å
329F86.1Confident84.8Confident132 Ų13255.5 Ų55.558%0.57927%0.269SS*.Hα-helixtrans-58.6-40.5176.1-77.8-62.3000112.5V325 Y326 Y332 A333V325-F329 HydrophobicContact CG1-CD2 3.73Å; V325-F329 HydrophobicContact CG1-CE2 3.38Å; V325-F329 WeakPolarHBondContact O-CD2 3.33Å; V325-F329 PolarHBondContact O-N 3.06Å; Y326-F329 PolarHBondContact O-N 2.73Å; F329-Y332 PolarHBondContact O-N 3.34Å; F329-A333 VanDerWaalsContact O-CB 3.25Å; F329-A333 WeakPolarHBondContact O-CB 3Å; F329-A333 PolarHBondContact O-N 3.4Å
330Y87.3Confident84.7Confident8 Ų860 Ų603%0.03129%0.292CS..Hα-helixtrans-62.2-42.5174.9167.1-102.8000112.2L267 H268 P270 L271 Y326 M327 I328 A333 R334L267-Y330 WeakPolarHBondContact O-CD2 3.45Å; L267-Y330 WeakPolarHBondContact O-CE2 3.25Å; H268-Y330 PolarHBondContact CD2-OH 3.43Å; P270-Y330 HydrophobicContact CB-CD2 4.13Å; P270-Y330 HydrophobicContact CB-CG 3.94Å; P270-Y330 HydrophobicContact CG-CD2 3.93Å; P270-Y330 HydrophobicContact CG-CG 4.11Å; L271-Y330 HydrophobicContact CB-CE1 4.09Å; Y326-Y330 WeakPolarHBondContact O-CB 3.49Å; Y326-Y330 PolarHBondContact O-N 3.46Å; M327-Y330 WeakPolarHBondContact O-CB 3.18Å; M327-Y330 PolarHBondContact O-N 2.79Å; I328-Y330 VanDerWaalsContact C-N 3.29Å; I328-Y330 PolarHBondContact O-N 2.92Å; Y330-A333 PolarHBondContact O-N 3.27Å; Y330-R334 VanDerWaalsContact O-CB 3.32Å; Y330-R334 WeakPolarHBondContact O-CB 3.27Å; Y330-R334 PolarHBondContact O-N 2.72Å
331F84.9Confident84.9Confident63 Ų6360.9 Ų60.928%0.27630%0.298SS..Hα-helixtrans-63.3-43.1177-72-60.1000112M327 I328 R334 I335 V450 M454M327-F331 HydrophobicContact CB-CE2 4.35Å; M327-F331 HydrophobicContact CE-CE2 4.17Å; M327-F331 HydrophobicContact CE-CZ 4.15Å; M327-F331 WeakPolarHBondContact O-CD2 3.48Å; M327-F331 PolarHBondContact O-N 3.5Å; I328-F331 PolarHBondContact O-N 3.09Å; I328-F331 VanDerWaalsContact O-N 3.12Å; F331-R334 WeakPolarHBondContact O-CB 3.22Å; F331-R334 PolarHBondContact O-N 2.97Å; F331-I335 WeakPolarHBondContact O-CG1 3.36Å; F331-I335 PolarHBondContact O-N 2.86Å; F331-V450 HydrophobicContact CB-CG1 4.37Å; F331-V450 HydrophobicContact CD1-CG1 4.47Å; F331-M454 HydrophobicContact CB-CE 4.48Å; F331-M454 HydrophobicContact CB-SD 3.87Å
332Y87.3Confident85.4Confident97 Ų9757.7 Ų57.738%0.3828%0.282SS..Hα-helixtrans-63.8-44.4172.9-75.7-64000112.4I328 F329 R334 I335 I336 L451 M454I328-Y332 HydrophobicContact CG2-CD2 3.79Å; I328-Y332 HydrophobicContact CG2-CE2 3.54Å; I328-Y332 VanDerWaalsContact O-CD2 3.27Å; I328-Y332 WeakPolarHBondContact O-CD2 3.18Å; I328-Y332 PolarHBondContact O-N 3.41Å; F329-Y332 PolarHBondContact O-N 3.34Å; Y332-R334 VanDerWaalsContact C-N 3.27Å; Y332-R334 PolarHBondContact O-N 3.24Å; Y332-I335 PolarHBondContact O-N 3.36Å; Y332-I336 WeakPolarHBondContact O-CG1 3.45Å; Y332-I336 PolarHBondContact O-N 2.86Å; Y332-L451 HydrophobicContact CE1-CD2 4.15Å; Y332-M454 HydrophobicContact CD2-CE 4.01Å; Y332-M454 HydrophobicContact CE1-CE 4.35Å; Y332-M454 HydrophobicContact CE2-CE 3.43Å; Y332-M454 VanDerWaalsContact CE2-CE 3.43Å
333A88.4Confident85.8Confident27 Ų2756.3 Ų56.322%0.22328%0.275CS..Hα-helixtrans-60.5-38.217600000111.4L267 F329 Y330 L337L267-A333 HydrophobicContact CD1-CB 4.29Å; F329-A333 VanDerWaalsContact O-CB 3.25Å; F329-A333 WeakPolarHBondContact O-CB 3Å; F329-A333 PolarHBondContact O-N 3.4Å; Y330-A333 PolarHBondContact O-N 3.27Å; A333-L337 HydrophobicContact CB-CD1 4.39Å; A333-L337 WeakPolarHBondContact O-CA 3.42Å; A333-L337 WeakPolarHBondContact O-CB 3.37Å; A333-L337 WeakPolarHBondContact O-CG 3.4Å; A333-L337 PolarHBondContact O-N 3.08Å
334R88Confident86.5Confident55 Ų5553.8 Ų53.821%0.20827%0.274CS..Hα-helixtrans-63.1-48.4173.5169.9169-171.7-157.95.5111.5Y330 F331 Y332 I336 I338 H339Y330-R334 VanDerWaalsContact O-CB 3.32Å; Y330-R334 WeakPolarHBondContact O-CB 3.27Å; Y330-R334 PolarHBondContact O-N 2.72Å; F331-R334 WeakPolarHBondContact O-CB 3.22Å; F331-R334 PolarHBondContact O-N 2.97Å; Y332-R334 VanDerWaalsContact C-N 3.27Å; Y332-R334 PolarHBondContact O-N 3.24Å; R334-I336 VanDerWaalsContact C-N 3.34Å; R334-I336 PolarHBondContact O-N 3.08Å; R334-I338 HydrophobicContact CB-CD1 4.12Å; R334-I338 HydrophobicContact CG-CD1 3.93Å; R334-I338 WeakPolarHBondContact O-CA 3.42Å; R334-I338 WeakPolarHBondContact O-CB 3.47Å; R334-I338 PolarHBondContact O-N 3.26Å; R334-H339 PolarHBondContact O-CD2 3.09Å
335I87.3Confident87.4Confident10 Ų1053.5 Ų53.55%0.05127%0.269CS..Iπ-helixtrans-57.8-49.1177.1-68.6165.6000110.6F331 Y332 H339 I340 T447 V450 L451F331-I335 WeakPolarHBondContact O-CG1 3.36Å; F331-I335 PolarHBondContact O-N 2.86Å; Y332-I335 PolarHBondContact O-N 3.36Å; I335-H339 WeakPolarHBondContact O-CB 3.38Å; I335-H339 PolarHBondContact O-N 3.5Å; I335-I340 HydrophobicContact CG2-CD1 3.76Å; I335-I340 HydrophobicContact CG2-CG1 4.34Å; I335-I340 PolarHBondContact O-N 3.06Å; I335-T447 HydrophobicContact CG2-CG2 3.65Å; I335-V450 HydrophobicContact CD1-CB 4.2Å; I335-V450 HydrophobicContact CD1-CG1 3.85Å; I335-V450 HydrophobicContact CG1-CG1 4.46Å; I335-L451 HydrophobicContact CD1-CD2 4.2Å; I335-L451 HydrophobicContact CD1-CG 4.26Å
336I89.7Confident88.1Confident89 Ų8949.7 Ų49.746%0.45625%0.245SC..Iπ-helixtrans-74.7-55.2-174.3-63171000111.1Y332 R334 I340 L341Y332-I336 WeakPolarHBondContact O-CG1 3.45Å; Y332-I336 PolarHBondContact O-N 2.86Å; R334-I336 VanDerWaalsContact C-N 3.34Å; R334-I336 PolarHBondContact O-N 3.08Å; I336-I340 PolarHBondContact O-N 3Å; I336-L341 WeakPolarHBondContact O-CB 3.11Å; I336-L341 PolarHBondContact O-N 3.04Å
337L91Very high88.6Confident66 Ų6646.2 Ų46.235%0.34624%0.236SC..Iπ-helixtrans-83.2-23.3-169.6-60175.8000114.3W225 L267 A333 L341 P342W225-L337 WeakPolarHBondContact CZ2-O 3.42Å; W225-L337 PolarHBondContact NE1-O 3.01Å; L267-L337 HydrophobicContact CD1-CD1 3.8Å; L267-L337 HydrophobicContact CD2-CB 4.25Å; A333-L337 HydrophobicContact CB-CD1 4.39Å; A333-L337 WeakPolarHBondContact O-CA 3.42Å; A333-L337 WeakPolarHBondContact O-CB 3.37Å; A333-L337 WeakPolarHBondContact O-CG 3.4Å; A333-L337 PolarHBondContact O-N 3.08Å; L337-L341 HydrophobicContact CD2-CD2 3.66Å; L337-P342 WeakPolarHBondContact O-CD 3.39Å
338I86.9Confident89.1Confident6 Ų648 Ų483%0.03125%0.252CS..Iπ-helixtrans-101-30.1-177.5-57.1174.5000111.5T221 L267 H268 R334 P342T221-I338 HydrophobicContact CG2-CD1 4.45Å; T221-I338 HydrophobicContact CG2-CG1 4.13Å; T221-I338 HydrophobicContact CG2-CG2 4.38Å; L267-I338 HydrophobicContact CD2-CD1 3.68Å; L267-I338 HydrophobicContact CD2-CG1 3.56Å; L267-I338 HydrophobicContact CG-CD1 4.33Å; H268-I338 WeakPolarHBondContact CE1-CD1 3.26Å; H268-I338 VanDerWaalsContact NE2-CD1 3.26Å; H268-I338 WeakPolarHBondContact NE2-CD1 3.32Å; R334-I338 HydrophobicContact CB-CD1 4.12Å; R334-I338 HydrophobicContact CG-CD1 3.93Å; R334-I338 WeakPolarHBondContact O-CA 3.42Å; R334-I338 WeakPolarHBondContact O-CB 3.47Å; R334-I338 PolarHBondContact O-N 3.26Å; I338-P342 WeakPolarHBondContact O-CG 3.42Å
339H85.1Confident89.6Confident13 Ų1345.8 Ų45.86%0.0624%0.241CC..Iπ-helixtrans-110.5-67.8-175.7-60.7-66.1000112.1R334 I335 C343 A443 L446R334-H339 PolarHBondContact O-CD2 3.09Å; I335-H339 WeakPolarHBondContact O-CB 3.38Å; I335-H339 PolarHBondContact O-N 3.5Å; H339-C343 WeakPolarHBondContact O-CB 3.23Å; H339-C343 PolarHBondContact O-N 3.49Å; H339-C343 PolarHBondContact O-SG 3.03Å; H339-C343 VanDerWaalsContact O-SG 3.34Å; H339-A443 HydrophobicContact CB-CB 3.84Å; H339-L446 VanDerWaalsContact CE1-CD2 3.47Å; H339-L446 WeakPolarHBondContact CE1-CD2 3.39Å; H339-L446 VanDerWaalsContact NE2-CD2 3.28Å; H339-L446 WeakPolarHBondContact NE2-CD2 3.39Å
340I87.8Confident89.8Confident94 Ų9440 Ų4048%0.48222%0.216SC..Iπ-helixtrans-66.4-50.9-169.8-63176.8000111.9I335 I336 G344I335-I340 HydrophobicContact CG2-CD1 3.76Å; I335-I340 HydrophobicContact CG2-CG1 4.34Å; I335-I340 PolarHBondContact O-N 3.06Å; I336-I340 PolarHBondContact O-N 3Å; I340-G344 PolarHBondContact O-N 3.18Å
341L91.9Very high90Very high65 Ų6544.1 Ų44.134%0.3424%0.238SC..Hα-helixtrans-61.2-53.8-175.4-17766.5000113W225 I336 L337 C343 G344 I345W225-L341 HydrophobicContact CH2-CD2 3.76Å; W225-L341 HydrophobicContact CH2-CG 4.19Å; W225-L341 HydrophobicContact CZ2-CD2 4.05Å; I336-L341 WeakPolarHBondContact O-CB 3.11Å; I336-L341 PolarHBondContact O-N 3.04Å; L337-L341 HydrophobicContact CD2-CD2 3.66Å; L341-C343 PolarHBondContact O-N 3Å; L341-G344 PolarHBondContact O-N 2.65Å; L341-I345 HydrophobicContact CD1-CD1 3.77Å; L341-I345 HydrophobicContact CD1-CG1 4.2Å; L341-I345 HydrophobicContact CG-CD1 3.77Å; L341-I345 WeakPolarHBondContact O-CB 3.29Å; L341-I345 VanDerWaalsContact O-CG1 3.26Å; L341-I345 WeakPolarHBondContact O-CG1 3.47Å; L341-I345 PolarHBondContact O-N 3.34Å
342P91.7Very high90.3Very high0 Ų044.6 Ų44.60%024%0.243CC..Hα-helixtrans-65.6-39.4-178.922.9-32.2000112.5V224 V228 L337 I338 I345 L346V224-P342 HydrophobicContact CG1-CB 3.5Å; V224-P342 VanDerWaalsContact CG1-CB 3.5Å; V224-P342 HydrophobicContact CG1-CG 3.79Å; V228-P342 HydrophobicContact CG2-CB 3.94Å; L337-P342 WeakPolarHBondContact O-CD 3.39Å; I338-P342 WeakPolarHBondContact O-CG 3.42Å; P342-I345 PolarHBondContact O-N 2.9Å; P342-L346 VanDerWaalsContact O-CB 3.3Å; P342-L346 WeakPolarHBondContact O-CB 3.21Å; P342-L346 WeakPolarHBondContact O-CG 3.05Å; P342-L346 PolarHBondContact O-N 3.41Å
343C89.7Confident90.4Very high10 Ų1040 Ų407%0.06823%0.225CC..Hα-helixtrans-62.8-44.6175.6-71.40000111.6H339 L341 L346 I347 L440H339-C343 WeakPolarHBondContact O-CB 3.23Å; H339-C343 PolarHBondContact O-N 3.49Å; H339-C343 PolarHBondContact O-SG 3.03Å; H339-C343 VanDerWaalsContact O-SG 3.34Å; L341-C343 PolarHBondContact O-N 3Å; C343-L346 PolarHBondContact O-N 3.11Å; C343-I347 WeakPolarHBondContact O-CD1 3.44Å; C343-I347 VanDerWaalsContact O-CG1 3.25Å; C343-I347 WeakPolarHBondContact O-CG1 3.47Å; C343-I347 PolarHBondContact O-N 3.48Å; C343-L440 HydrophobicContact CB-CD1 4.46Å
344G91.9Very high90.4Very high40 Ų4041.5 Ų41.541%0.41223%0.231SC..Hα-helixtrans-61.3-46.317600000112.7I340 L341 L346 I347 A348I340-G344 PolarHBondContact O-N 3.18Å; L341-G344 PolarHBondContact O-N 2.65Å; G344-L346 PolarHBondContact O-N 2.86Å; G344-I347 PolarHBondContact O-N 3.45Å; G344-A348 WeakPolarHBondContact O-CB 3.15Å; G344-A348 PolarHBondContact O-N 3.29Å
345I94.3Very high90.5Very high54 Ų5443.2 Ų43.228%0.27724%0.243SC..Hα-helixtrans-61.8-44.1176-68.1170.3000110.7W225 V228 L341 P342 I347 A348 L349W225-I345 HydrophobicContact CH2-CD1 4.37Å; W225-I345 HydrophobicContact CZ3-CD1 4.41Å; V228-I345 HydrophobicContact CG1-CG2 3.67Å; L341-I345 HydrophobicContact CD1-CD1 3.77Å; L341-I345 HydrophobicContact CD1-CG1 4.2Å; L341-I345 HydrophobicContact CG-CD1 3.77Å; L341-I345 WeakPolarHBondContact O-CB 3.29Å; L341-I345 VanDerWaalsContact O-CG1 3.26Å; L341-I345 WeakPolarHBondContact O-CG1 3.47Å; L341-I345 PolarHBondContact O-N 3.34Å; P342-I345 PolarHBondContact O-N 2.9Å; I345-I347 PolarHBondContact O-N 3.44Å; I345-A348 PolarHBondContact O-N 3.01Å; I345-L349 HydrophobicContact CG2-CD1 3.58Å; I345-L349 HydrophobicContact CG2-CG 4.01Å; I345-L349 WeakPolarHBondContact O-CB 3.37Å; I345-L349 VanDerWaalsContact O-CG 3.27Å; I345-L349 WeakPolarHBondContact O-CG 3.19Å; I345-L349 PolarHBondContact O-N 3.16Å
346L92.2Very high90.5Very high0 Ų047.2 Ų47.20%026%0.26CS..Hα-helixtrans-62.8-42.4178.9-77.3168.8000112.2T227 V228 A231 P342 C343 G344 T350 L432 F435 I436T227-L346 HydrophobicContact CG2-CD1 4.47Å; T227-L346 HydrophobicContact CG2-CD2 4.01Å; V228-L346 HydrophobicContact CB-CD2 4.5Å; V228-L346 HydrophobicContact CG2-CD1 4.16Å; V228-L346 HydrophobicContact CG2-CD2 4.03Å; V228-L346 HydrophobicContact CG2-CG 3.78Å; A231-L346 HydrophobicContact CB-CD2 4.07Å; P342-L346 VanDerWaalsContact O-CB 3.3Å; P342-L346 WeakPolarHBondContact O-CB 3.21Å; P342-L346 WeakPolarHBondContact O-CG 3.05Å; P342-L346 PolarHBondContact O-N 3.41Å; C343-L346 PolarHBondContact O-N 3.11Å; G344-L346 PolarHBondContact O-N 2.86Å; L346-T350 WeakPolarHBondContact O-CB 3.39Å; L346-T350 PolarHBondContact O-N 3.21Å; L346-T350 PolarHBondContact O-OG1 3.17Å; L346-L432 HydrophobicContact CD2-CD2 3.93Å; L346-F435 HydrophobicContact CD1-CD1 3.59Å; L346-F435 HydrophobicContact CD1-CE1 3.39Å; L346-F435 HydrophobicContact CD1-CZ 4.46Å; L346-I436 HydrophobicContact CB-CD1 4.13Å; L346-I436 HydrophobicContact CB-CG1 4.05Å
347I92.4Very high90.2Very high61 Ų6144.3 Ų44.331%0.31325%0.245SC..Hα-helixtrans-60.3-51.1175.5-69.2163.9000109.7C343 G344 I345 L349 T350 I351 I436C343-I347 WeakPolarHBondContact O-CD1 3.44Å; C343-I347 VanDerWaalsContact O-CG1 3.25Å; C343-I347 WeakPolarHBondContact O-CG1 3.47Å; C343-I347 PolarHBondContact O-N 3.48Å; G344-I347 PolarHBondContact O-N 3.45Å; I345-I347 PolarHBondContact O-N 3.44Å; I347-L349 PolarHBondContact O-N 3.07Å; I347-T350 PolarHBondContact O-N 3.24Å; I347-I351 HydrophobicContact CG2-CD1 3.87Å; I347-I351 VanDerWaalsContact O-CG1 3.31Å; I347-I351 WeakPolarHBondContact O-CG1 3.41Å; I347-I351 PolarHBondContact O-N 3.07Å; I347-I436 HydrophobicContact CD1-CG2 4.32Å; I347-I436 HydrophobicContact CG1-CD1 4.06Å; I347-I436 HydrophobicContact CG1-CG1 4.4Å; I347-I436 HydrophobicContact CG1-CG2 3.86Å
348A94Very high90.1Very high51 Ų5145.4 Ų45.442%0.42125%0.248SC..Hα-helixtrans-59.7-48.6179.700000112.3G344 I345 T350 I351 I352G344-A348 WeakPolarHBondContact O-CB 3.15Å; G344-A348 PolarHBondContact O-N 3.29Å; I345-A348 PolarHBondContact O-N 3.01Å; A348-T350 VanDerWaalsContact C-N 3.34Å; A348-T350 PolarHBondContact O-N 3.47Å; A348-I351 PolarHBondContact O-N 2.63Å; A348-I352 VanDerWaalsContact O-CG1 3.32Å; A348-I352 WeakPolarHBondContact O-CG1 3.3Å; A348-I352 PolarHBondContact O-N 3.23Å
349L93.5Very high90.1Very high20 Ų2049 Ų4911%0.10527%0.268CS..Hα-helixtrans-64.2-38.1178.5-71.1178.2000111.9V228 A231 L232 V235 I345 I347 I352 L353V228-L349 HydrophobicContact CG1-CD1 4.49Å; A231-L349 HydrophobicContact CB-CB 4.12Å; A231-L349 HydrophobicContact CB-CD1 3.92Å; L232-L349 HydrophobicContact CB-CD1 4.07Å; L232-L349 HydrophobicContact CD1-CD2 4.22Å; V235-L349 HydrophobicContact CG2-CD2 4.35Å; I345-L349 HydrophobicContact CG2-CD1 3.58Å; I345-L349 HydrophobicContact CG2-CG 4.01Å; I345-L349 WeakPolarHBondContact O-CB 3.37Å; I345-L349 VanDerWaalsContact O-CG 3.27Å; I345-L349 WeakPolarHBondContact O-CG 3.19Å; I345-L349 PolarHBondContact O-N 3.16Å; I347-L349 PolarHBondContact O-N 3.07Å; L349-I352 PolarHBondContact O-N 3.42Å; L349-L353 WeakPolarHBondContact O-CB 3.46Å; L349-L353 PolarHBondContact O-N 3.2Å
350T90.8Very high89.9Confident10 Ų1050.9 Ų50.96%0.06128%0.278CS..Hα-helixtrans-66-42.9177.8-590000111L346 I347 A348 L353 V354 L432 I433L346-T350 WeakPolarHBondContact O-CB 3.39Å; L346-T350 PolarHBondContact O-N 3.21Å; L346-T350 PolarHBondContact O-OG1 3.17Å; I347-T350 PolarHBondContact O-N 3.24Å; A348-T350 VanDerWaalsContact C-N 3.34Å; A348-T350 PolarHBondContact O-N 3.47Å; T350-L353 PolarHBondContact O-N 3.37Å; T350-V354 HydrophobicContact CG2-CG2 4.49Å; T350-V354 VanDerWaalsContact O-CG2 3.29Å; T350-V354 WeakPolarHBondContact O-CG2 3.32Å; T350-V354 PolarHBondContact O-N 3.4Å; T350-L432 HydrophobicContact CG2-CB 4.49Å; T350-I433 HydrophobicContact CG2-CG1 4.1Å
351I91.9Very high89.7Confident96 Ų9648.3 Ų48.349%0.49227%0.265SS..Hα-helixtrans-59.8-50174.7-68.2166.4000110.5I347 A348 L353 V354 I355I347-I351 HydrophobicContact CG2-CD1 3.87Å; I347-I351 VanDerWaalsContact O-CG1 3.31Å; I347-I351 WeakPolarHBondContact O-CG1 3.41Å; I347-I351 PolarHBondContact O-N 3.07Å; A348-I351 PolarHBondContact O-N 2.63Å; I351-L353 VanDerWaalsContact C-N 3.28Å; I351-L353 PolarHBondContact O-N 2.92Å; I351-V354 PolarHBondContact O-N 3.17Å; I351-I355 HydrophobicContact CG2-CD1 3.78Å; I351-I355 HydrophobicContact CG2-CG1 4.49Å; I351-I355 WeakPolarHBondContact O-CG1 3.2Å; I351-I355 PolarHBondContact O-N 3.21Å
352I91.4Very high89.4Confident72 Ų7250.1 Ų50.137%0.36927%0.27SS..Hα-helixtrans-57.3-44.6177.6-68.9166.9000110.6V235 A348 L349 I355 K356V235-I352 HydrophobicContact CG1-CG2 4.02Å; V235-I352 HydrophobicContact CG2-CG2 4.4Å; A348-I352 VanDerWaalsContact O-CG1 3.32Å; A348-I352 WeakPolarHBondContact O-CG1 3.3Å; A348-I352 PolarHBondContact O-N 3.23Å; L349-I352 PolarHBondContact O-N 3.42Å; I352-I355 PolarHBondContact O-N 2.9Å; I352-K356 HydrophobicContact CG2-CG 4.28Å; I352-K356 WeakPolarHBondContact O-CB 3.42Å; I352-K356 VanDerWaalsContact O-CG 3.26Å; I352-K356 WeakPolarHBondContact O-CG 3.04Å; I352-K356 PolarHBondContact O-N 3.08Å
353L88.1Confident88.9Confident1 Ų154.8 Ų54.81%0.00529%0.294CS..Hα-helixtrans-65.6-40.6-178.4-170.6151.1000111.9R234 V235 L349 T350 I351 M357 I429 L432R234-L353 HydrophobicContact CB-CD1 3.79Å; R234-L353 HydrophobicContact CG-CD1 3.44Å; R234-L353 VanDerWaalsContact CG-CD1 3.44Å; R234-L353 HydrophobicContact CG-CG 4.4Å; V235-L353 HydrophobicContact CG2-CB 3.98Å; V235-L353 HydrophobicContact CG2-CD1 4.1Å; V235-L353 HydrophobicContact CG2-CG 4.42Å; L349-L353 WeakPolarHBondContact O-CB 3.46Å; L349-L353 PolarHBondContact O-N 3.2Å; T350-L353 PolarHBondContact O-N 3.37Å; I351-L353 VanDerWaalsContact C-N 3.28Å; I351-L353 PolarHBondContact O-N 2.92Å; L353-M357 VanDerWaalsContact O-CB 3.29Å; L353-M357 WeakPolarHBondContact O-CB 3.46Å; L353-M357 PolarHBondContact O-N 3.22Å; L353-I429 HydrophobicContact CD2-CB 4.49Å; L353-I429 HydrophobicContact CD2-CD1 3.5Å; L353-I429 VanDerWaalsContact CD2-CD1 3.5Å; L353-I429 HydrophobicContact CD2-CG1 3.07Å; L353-L432 HydrophobicContact CD1-CD1 4.44Å
354V89.4Confident88.6Confident59 Ų5957.8 Ų57.836%0.35830%0.304SS..Hα-helixtrans-63.5-47174.4170.10000111T350 I351 K356 M357 H358 I429T350-V354 HydrophobicContact CG2-CG2 4.49Å; T350-V354 VanDerWaalsContact O-CG2 3.29Å; T350-V354 WeakPolarHBondContact O-CG2 3.32Å; T350-V354 PolarHBondContact O-N 3.4Å; I351-V354 PolarHBondContact O-N 3.17Å; V354-K356 PolarHBondContact O-N 3.43Å; V354-M357 PolarHBondContact O-N 3.49Å; V354-H358 WeakPolarHBondContact O-CB 3.1Å; V354-H358 PolarHBondContact O-N 3.13Å; V354-I429 HydrophobicContact CG2-CD1 4.32Å; V354-I429 HydrophobicContact CG2-CG1 4.44Å; V354-I429 HydrophobicContact CG2-CG2 4.12Å
355I90.2Very high88.1Confident90 Ų9063.8 Ų63.846%0.46232%0.319SS..Hα-helixtrans-59.4-50.4178.2-68.2167.6000110.6I351 I352 M357 H358 N359I351-I355 HydrophobicContact CG2-CD1 3.78Å; I351-I355 HydrophobicContact CG2-CG1 4.49Å; I351-I355 WeakPolarHBondContact O-CG1 3.2Å; I351-I355 PolarHBondContact O-N 3.21Å; I352-I355 PolarHBondContact O-N 2.9Å; I355-M357 VanDerWaalsContact C-N 3.34Å; I355-M357 PolarHBondContact O-N 2.93Å; I355-H358 PolarHBondContact O-N 3.37Å; I355-N359 VanDerWaalsContact O-CG 3.31Å; I355-N359 PolarHBondContact O-N 3.35Å
356K86.6Confident87.5Confident94 Ų9471.5 Ų71.541%0.40934%0.344SS..Hα-helixtrans-63.4-40-179.4-69.3-69.6-176-179.70111.7L238 T239 I352 V354 N359 I360L238-K356 HydrophobicContact CD2-CB 3.65Å; L238-K356 HydrophobicContact CG-CB 4.45Å; T239-K356 HydrophobicContact CG2-CD 4.08Å; T239-K356 HydrophobicContact CG2-CG 4.23Å; I352-K356 HydrophobicContact CG2-CG 4.28Å; I352-K356 WeakPolarHBondContact O-CB 3.42Å; I352-K356 VanDerWaalsContact O-CG 3.26Å; I352-K356 WeakPolarHBondContact O-CG 3.04Å; I352-K356 PolarHBondContact O-N 3.08Å; V354-K356 PolarHBondContact O-N 3.43Å; K356-N359 PolarHBondContact O-N 3.42Å; K356-I360 WeakPolarHBondContact O-CG1 3.34Å; K356-I360 PolarHBondContact O-N 3.18Å; K356-I360 VanDerWaalsContact O-N 3.11Å
357M84.6Confident87.1Confident29 Ų2976.8 Ų76.814%0.14337%0.372CS..Hα-helixtrans-62.2-46175.1-176.2-169.765.200111.2L353 V354 I355 N359 I360 I361 R426 I429L353-M357 VanDerWaalsContact O-CB 3.29Å; L353-M357 WeakPolarHBondContact O-CB 3.46Å; L353-M357 PolarHBondContact O-N 3.22Å; V354-M357 PolarHBondContact O-N 3.49Å; I355-M357 VanDerWaalsContact C-N 3.34Å; I355-M357 PolarHBondContact O-N 2.93Å; M357-N359 VanDerWaalsContact C-N 3.28Å; M357-N359 PolarHBondContact O-N 3.03Å; M357-I360 PolarHBondContact O-N 3.38Å; M357-I360 VanDerWaalsContact O-N 3.17Å; M357-I361 HydrophobicContact CE-CD1 4.27Å; M357-I361 HydrophobicContact CG-CD1 4.04Å; M357-I361 WeakPolarHBondContact O-CG1 3.31Å; M357-I361 PolarHBondContact O-N 3.04Å; M357-I361 HydrophobicContact SD-CD1 4.42Å; M357-R426 HydrophobicContact SD-CG 3.89Å; M357-I429 HydrophobicContact CE-CD1 3.51Å; M357-I429 HydrophobicContact SD-CD1 3.36Å; M357-I429 WeakPolarHBondContact SD-CD1 3.24Å
358H87.9Confident86.4Confident88 Ų8877 Ų7741%0.40739%0.389SS..Hα-helixtrans-62.4-37.9-179.8-16884.5000111.8V354 I355 I361 K362V354-H358 WeakPolarHBondContact O-CB 3.1Å; V354-H358 PolarHBondContact O-N 3.13Å; I355-H358 PolarHBondContact O-N 3.37Å; H358-I361 PolarHBondContact O-N 2.86Å; H358-K362 PolarHBondContact CD2-NZ 3.25Å; H358-K362 WeakPolarHBondContact NE2-CE 3.29Å; H358-K362 PolarHBondContact NE2-NZ 2.75Å; H358-K362 PolarHBondContact O-N 2.93Å
359N87.1Confident85.2Confident82 Ų8280 Ų8044%0.43940%0.398SS..Hα-helixtrans-63.1-41.5174.4-70.4-12.8000112.4I355 K356 M357 I361 K362 L363I355-N359 VanDerWaalsContact O-CG 3.31Å; I355-N359 PolarHBondContact O-N 3.35Å; K356-N359 PolarHBondContact O-N 3.42Å; M357-N359 VanDerWaalsContact C-N 3.28Å; M357-N359 PolarHBondContact O-N 3.03Å; N359-I361 VanDerWaalsContact C-N 3.34Å; N359-K362 PolarHBondContact O-N 3.06Å; N359-L363 WeakPolarHBondContact O-CB 3.36Å; N359-L363 PolarHBondContact O-N 3.19Å
360I81.3Confident83.3Confident53 Ų5389.5 Ų89.527%0.27243%0.432SS..Hα-helixtrans-65.5-38.4175.4-70.3165.1000111.2L238 K356 M357 L363 R364L238-I360 HydrophobicContact CD1-CD1 3.25Å; L238-I360 HydrophobicContact CD2-CD1 4.09Å; L238-I360 HydrophobicContact CG-CD1 3.52Å; K356-I360 WeakPolarHBondContact O-CG1 3.34Å; K356-I360 PolarHBondContact O-N 3.18Å; K356-I360 VanDerWaalsContact O-N 3.11Å; M357-I360 PolarHBondContact O-N 3.38Å; M357-I360 VanDerWaalsContact O-N 3.17Å; I360-L363 PolarHBondContact O-N 2.85Å; I360-R364 WeakPolarHBondContact O-CG 2.76Å; I360-R364 PolarHBondContact O-N 3.4Å
361I82.7Confident81.6Confident40 Ų4094.3 Ų94.321%0.20545%0.453CS..Hα-helixtrans-63.3-46.7175.3-67.5169.4000110.7M357 H358 N359 L363 R364 K365 Q422M357-I361 HydrophobicContact CE-CD1 4.27Å; M357-I361 HydrophobicContact CG-CD1 4.04Å; M357-I361 WeakPolarHBondContact O-CG1 3.31Å; M357-I361 PolarHBondContact O-N 3.04Å; M357-I361 HydrophobicContact SD-CD1 4.42Å; H358-I361 PolarHBondContact O-N 2.86Å; N359-I361 VanDerWaalsContact C-N 3.34Å; I361-L363 VanDerWaalsContact C-N 3.34Å; I361-L363 PolarHBondContact O-N 3.29Å; I361-R364 PolarHBondContact O-N 3.45Å; I361-K365 WeakPolarHBondContact O-CG 3.33Å; I361-K365 PolarHBondContact O-N 3Å; I361-Q422 VanDerWaalsContact CG1-NE2 3.27Å
362K85.5Confident79.1Confident103 Ų10393.3 Ų93.345%0.44845%0.452SS..Hα-helixtrans-59.1-44.7175.4-80.4175.8164.6162.20111.4H358 N359 R364 K365 R366H358-K362 PolarHBondContact CD2-NZ 3.25Å; H358-K362 WeakPolarHBondContact NE2-CE 3.29Å; H358-K362 PolarHBondContact NE2-NZ 2.75Å; H358-K362 PolarHBondContact O-N 2.93Å; N359-K362 PolarHBondContact O-N 3.06Å; K362-R364 PolarHBondContact O-N 3.37Å; K362-K365 PolarHBondContact O-N 3.42Å; K362-R366 WeakPolarHBondContact O-CG 3.39Å; K362-R366 PolarHBondContact O-N 3.34Å
363L82.3Confident76.7Confident97 Ų9797.3 Ų97.351%0.50847%0.474SS..Hα-helixtrans-60.8-44.3177-177.363.5000111.7N359 I360 I361 K365 R366 L367N359-L363 WeakPolarHBondContact O-CB 3.36Å; N359-L363 PolarHBondContact O-N 3.19Å; I360-L363 PolarHBondContact O-N 2.85Å; I361-L363 VanDerWaalsContact C-N 3.34Å; I361-L363 PolarHBondContact O-N 3.29Å; L363-K365 PolarHBondContact O-N 3.01Å; L363-R366 PolarHBondContact O-N 3.28Å; L363-L367 HydrophobicContact CD1-CD1 4.29Å; L363-L367 HydrophobicContact CG-CD1 4.09Å; L363-L367 WeakPolarHBondContact O-CG 3.36Å; L363-L367 PolarHBondContact O-N 3.26Å
364R81.6Confident74Confident74 Ų74101.6 Ų101.628%0.27950%0.497SS..Hα-helixtrans-63.6-39.8176.4-74.4178.4179-164.1-8.4112.9I360 I361 K362 L367 G368 L369I360-R364 WeakPolarHBondContact O-CG 2.76Å; I360-R364 PolarHBondContact O-N 3.4Å; I361-R364 PolarHBondContact O-N 3.45Å; K362-R364 PolarHBondContact O-N 3.37Å; R364-L367 CarbonylContact O-C 3.37Å; R364-L367 PolarHBondContact O-N 2.83Å; R364-G368 PolarHBondContact O-N 3.3Å; R364-G368 VanDerWaalsContact O-N 3.16Å; R364-L369 PolarHBondContact O-N 3.37Å; R364-L369 VanDerWaalsContact O-N 3.15Å
365K81.6Confident71.6Confident166 Ų166104.6 Ų104.672%0.72252%0.521SS*.Hα-helixtrans-60.2-44.9173.7-74.5-175.7178.7-173.10111.2I361 K362 L363 L367 G368I361-K365 WeakPolarHBondContact O-CG 3.33Å; I361-K365 PolarHBondContact O-N 3Å; K362-K365 PolarHBondContact O-N 3.42Å; L363-K365 PolarHBondContact O-N 3.01Å; K365-L367 VanDerWaalsContact C-N 3.29Å; K365-L367 PolarHBondContact O-N 3.48Å; K365-G368 PolarHBondContact O-N 2.85Å
366R83.5Confident69.1Low215 Ų215105.5 Ų105.581%0.81154%0.535SS*.Hα-helixtrans-62.6-34.6176.1-71.3178.5179.7178.5-1.2112.9K362 L363 G368K362-R366 WeakPolarHBondContact O-CG 3.39Å; K362-R366 PolarHBondContact O-N 3.34Å; L363-R366 PolarHBondContact O-N 3.28Å; R366-G368 VanDerWaalsContact C-N 3.3Å
367L83.8Confident66.4Low112 Ų112103.2 Ų103.259%0.58653%0.531SS*.THydrogen-bonded Turntrans-83.50.7177.9-64.6173.5000113.8L363 R364 K365 L369L363-L367 HydrophobicContact CD1-CD1 4.29Å; L363-L367 HydrophobicContact CG-CD1 4.09Å; L363-L367 WeakPolarHBondContact O-CG 3.36Å; L363-L367 PolarHBondContact O-N 3.26Å; R364-L367 CarbonylContact O-C 3.37Å; R364-L367 PolarHBondContact O-N 2.83Å; K365-L367 VanDerWaalsContact C-N 3.29Å; K365-L367 PolarHBondContact O-N 3.48Å; L367-L369 HydrophobicContact CB-CD1 4.14Å; L367-L369 HydrophobicContact CB-CG 4.12Å; L367-L369 HydrophobicContact CD1-CD1 4.36Å; L367-L369 PolarHBondContact O-N 3.06Å; L367-L369 VanDerWaalsContact O-N 3.17Å
368G77.4Confident64.2Low64 Ų64108.1 Ų108.166%0.6656%0.557SS**THydrogen-bonded Turntrans66.313.5-179.500000114.9R364 K365 R366 R370R364-G368 PolarHBondContact O-N 3.3Å; R364-G368 VanDerWaalsContact O-N 3.16Å; K365-G368 PolarHBondContact O-N 2.85Å; R366-G368 VanDerWaalsContact C-N 3.3Å; G368-R370 VanDerWaalsContact C-N 3.28Å; G368-R370 PolarHBondContact O-N 2.63Å
369L68.7Low61.7Low116 Ų116111.9 Ų111.961%0.60758%0.58SS**  trans-80.373179.8-63.9172.1000110R364 L367R364-L369 PolarHBondContact O-N 3.37Å; R364-L369 VanDerWaalsContact O-N 3.15Å; L367-L369 HydrophobicContact CB-CD1 4.14Å; L367-L369 HydrophobicContact CB-CG 4.12Å; L367-L369 HydrophobicContact CD1-CD1 4.36Å; L367-L369 PolarHBondContact O-N 3.06Å; L367-L369 VanDerWaalsContact O-N 3.17Å
370R53Low59.2Low218 Ų218115.9 Ų115.982%0.82360%0.596SS**  trans-79.8127.2167.4-169.7171175177.6-3.9108G368 T372G368-R370 VanDerWaalsContact C-N 3.28Å; G368-R370 PolarHBondContact O-N 2.63Å; R370-T372 VanDerWaalsContact C-N 3.27Å; R370-T372 PolarHBondContact O-N 3.38Å
371Q54.3Low57.1Low111 Ų111118.8 Ų118.852%0.51962%0.619SS.*  trans-6795161.5-77.3178.4-19.100106.1N373 N420Q371-N373 PolarHBondContact O-N 3.26Å; Q371-N420 PolarHBondContact NE2-ND2 2.94Å; Q371-N420 VanDerWaalsContact NE2-ND2 3.19Å; Q371-N420 PolarHBondContact NE2-OD1 2.92Å; Q371-N420 PolarHBondContact OE1-ND2 3.34Å
372T39.8Very low54.9Low75 Ų75123 Ų12346%0.4664%0.636SS.*  trans-68.5120162.946.20000106.2R370 D374R370-T372 VanDerWaalsContact C-N 3.27Å; R370-T372 PolarHBondContact O-N 3.38Å; T372-D374 PolarHBondContact O-N 3.49Å
373N40.2Very low52.7Low156 Ų156122.5 Ų122.583%0.83465%0.645SS**  trans-75.313167.2-83.6-4.9000111.4Q371 S375Q371-N373 PolarHBondContact O-N 3.26Å; N373-S375 PolarHBondContact O-N 3.37Å
374D31.8Very low50.3Low92 Ų92126.9 Ų126.949%0.49266%0.66SS.*  trans-84.396.6179.3-60.1-30.8000109.2T372 S376 S377T372-D374 PolarHBondContact O-N 3.49Å; D374-S376 PolarHBondContact O-N 3.19Å; D374-S377 PolarHBondContact O-N 3.37Å; D374-S377 VanDerWaalsContact O-N 3.14Å
375S40.2Very low48.3Very low121 Ų121130.2 Ų130.285%0.84668%0.682SS**THydrogen-bonded Turntrans-54.5-9.8159.942.60000113N373N373-S375 PolarHBondContact O-N 3.37Å
376S37Very low46.2Very low109 Ų109128.6 Ų128.676%0.76268%0.675SS**THydrogen-bonded Turntrans-91.8-7.7175.554.70000115.6D374D374-S376 PolarHBondContact O-N 3.19Å
377S30.8Very low43.8Very low46 Ų46121.1 Ų121.132%0.32266%0.656SS.*  trans-113.412.6179.668.70000115.1D374 N379 H380D374-S377 PolarHBondContact O-N 3.37Å; D374-S377 VanDerWaalsContact O-N 3.14Å; S377-N379 PolarHBondContact O-N 3.28Å; S377-H380 PolarHBondContact O-N 3.17Å
378L37Very low41.3Very low132 Ų132120.2 Ų120.269%0.69166%0.658SS**THydrogen-bonded Turntrans-63-9.9-176.8-161.367.3000114.4
379N35.8Very low39.4Very low167 Ų167121 Ų12189%0.89365%0.649SS**THydrogen-bonded Turntrans-89.4-16.1177.7-77.1-8.9000115.4S377S377-N379 PolarHBondContact O-N 3.28Å
380H34.2Very low37.5Very low167 Ų167118.7 Ų118.777%0.77364%0.642SS**THydrogen-bonded Turntrans-106.9-22.8-170.5-145.9-47.4000116.1S377S377-H380 PolarHBondContact O-N 3.17Å
381C37.2Very low36.4Very low113 Ų113116.8 Ų116.876%0.76464%0.64SS**SBendtrans-115.418.7-165.4-1430000117.3
382K37.7Very low35.3Very low128 Ų128121.7 Ų121.756%0.55765%0.654SS**SBendtrans-102.3-6.8163-81.1-175.5178.9177.30114.1K384K382-K384 VanDerWaalsContact C-N 3.35Å; K382-K384 PolarHBondContact O-N 3.35Å
383C38Very low35.2Very low94 Ų94125.7 Ų125.764%0.63567%0.665SS**Hα-helixtrans-68.1-28.2-179-132.70000112.9C387C383-C387 WeakPolarHBondContact O-CA 3.28Å; C383-C387 WeakPolarHBondContact O-CB 3.44Å; C383-C387 PolarHBondContact O-N 3.2Å
384K33.3Very low34.8Very low188 Ų188125 Ų12582%0.81766%0.661SS**Hα-helixtrans-70.7-40.9-175.4-101.6-179.6177.3177.10115.3K382K382-K384 VanDerWaalsContact C-N 3.35Å; K382-K384 PolarHBondContact O-N 3.35Å
385L39.8Very low34.9Very low144 Ų144125.8 Ų125.875%0.75467%0.674SS**Hα-helixtrans-81.5-37.4-178.6-165.270000111.6C388 V389L385-C388 PolarHBondContact O-N 3.26Å; L385-V389 PolarHBondContact O-N 3.46Å
386F37Very low34.4Very low132 Ų132128.2 Ų128.258%0.57967%0.669SS**Hα-helixtrans-77.5-29.7178-119.5-89.6000112.7C388 V389 C390F386-C388 VanDerWaalsContact C-N 3.26Å; F386-C388 PolarHBondContact O-N 2.85Å; F386-V389 PolarHBondContact O-N 3.05Å; F386-V389 VanDerWaalsContact O-N 3.08Å; F386-C390 PolarHBondContact O-N 3.5Å
387C32.3Very low34.4Very low59 Ų59130 Ų13040%0.39967%0.671SS.*Hα-helixtrans-65.7-29.1172.7-168.30000111.9C383 K391C383-C387 WeakPolarHBondContact O-CA 3.28Å; C383-C387 WeakPolarHBondContact O-CB 3.44Å; C383-C387 PolarHBondContact O-N 3.2Å; C387-K391 VanDerWaalsContact O-CB 3.28Å; C387-K391 WeakPolarHBondContact O-CB 3.38Å; C387-K391 VanDerWaalsContact O-CG 3.24Å; C387-K391 WeakPolarHBondContact O-CG 3.47Å; C387-K391 PolarHBondContact O-N 2.73Å
388C32.4Very low34.9Very low92 Ų92132.7 Ų132.762%0.62269%0.687SS**Hα-helixtrans-71-32.1170-87.90000113.4L385 F386L385-C388 PolarHBondContact O-N 3.26Å; F386-C388 VanDerWaalsContact C-N 3.26Å; F386-C388 PolarHBondContact O-N 2.85Å
389V35.9Very low34.9Very low80 Ų80134.1 Ų134.149%0.48569%0.693SS.*Hα-helixtrans-79.2-41.9178.8178.80000111L385 F386 K391 R392 F393L385-V389 PolarHBondContact O-N 3.46Å; F386-V389 PolarHBondContact O-N 3.05Å; F386-V389 VanDerWaalsContact O-N 3.08Å; V389-K391 VanDerWaalsContact C-N 3.35Å; V389-K391 PolarHBondContact O-N 3.26Å; V389-R392 WeakPolarHBondContact O-CB 3.18Å; V389-R392 PolarHBondContact O-N 3.37Å; V389-F393 PolarHBondContact O-N 2.91Å
390C30.5Very low34.9Very low68 Ų68133.4 Ų133.446%0.45969%0.688SS.*Hα-helixtrans-69.6-29175.6-65.80000112.8F386 R392 F393F386-C390 PolarHBondContact O-N 3.5Å; C390-R392 PolarHBondContact O-N 3.15Å; C390-F393 CarbonylContact O-C 3.44Å; C390-F393 VanDerWaalsContact O-C 3.31Å; C390-F393 PolarHBondContact O-N 3.07Å
391K30.2Very low35.1Very low178 Ų178131 Ų13177%0.77468%0.68SS**THydrogen-bonded Turntrans-63.9-19.5169.9-84.2-176.6178.7-171.50113.2C387 V389C387-K391 VanDerWaalsContact O-CB 3.28Å; C387-K391 WeakPolarHBondContact O-CB 3.38Å; C387-K391 VanDerWaalsContact O-CG 3.24Å; C387-K391 WeakPolarHBondContact O-CG 3.47Å; C387-K391 PolarHBondContact O-N 2.73Å; V389-K391 VanDerWaalsContact C-N 3.35Å; V389-K391 PolarHBondContact O-N 3.26Å
392R30.2Very low35.3Very low214 Ų214130.1 Ų130.181%0.80867%0.672SS**THydrogen-bonded Turntrans-94.1-23.9179.9-148.6171.3-171.7163.91.8113.1V389 C390V389-R392 WeakPolarHBondContact O-CB 3.18Å; V389-R392 PolarHBondContact O-N 3.37Å; C390-R392 PolarHBondContact O-N 3.15Å
393F37.3Very low35.2Very low160 Ų160131.2 Ų131.270%0.70268%0.679SS**SBendtrans-128.783.5176.9-79.6-85.5000109V389 C390V389-F393 PolarHBondContact O-N 2.91Å; C390-F393 CarbonylContact O-C 3.44Å; C390-F393 VanDerWaalsContact O-C 3.31Å; C390-F393 PolarHBondContact O-N 3.07Å
394N32.2Very low35.2Very low141 Ų141131.6 Ų131.675%0.75468%0.675SS**  trans-175.976.6141.4-89.8-5.7000107.8
395S33.2Very low35.5Very low109 Ų109127.8 Ų127.876%0.76266%0.662SS**SBendtrans-80.9114.5147.2-1660000105.8
396K30.9Very low35.5Very low172 Ų172125.2 Ų125.275%0.74865%0.65SS**SBendtrans72.5124.2163.3-57.3179.6179.9-177.70117.7
397D36.3Very low35.3Very low147 Ų147125.2 Ų125.279%0.78665%0.649SS**  trans100.4141.9151.6-54.2-22000119.6
398P42.3Very low35.4Very low101 Ų101126.1 Ų126.166%0.65665%0.653SS**  trans-111.3158-133.838.3-29.3000115.2
399I36.2Very low35.6Very low163 Ų163125.1 Ų125.184%0.83664%0.641SS**  trans45.480.6144.6-48.8159.2000115.3
400I35.6Very low35.4Very low152 Ų152124.5 Ų124.578%0.77964%0.639SS**SBendtrans-130.4110.7150-58.1178.2000107.4T402I400-T402 PolarHBondContact O-N 2.9Å
401D39Very low35.7Very low115 Ų115125.2 Ų125.262%0.61564%0.638SS**  trans15.969167.4-66.4-20.6000118H403 N404 L405D401-H403 PolarHBondContact O-N 2.8Å; D401-H403 VanDerWaalsContact O-N 3.14Å; D401-N404 PolarHBondContact O-N 3.36Å; D401-L405 PolarHBondContact O-N 3.13Å
402T40.6Very low35.8Very low96 Ų96122.2 Ų122.259%0.58963%0.63SS**Hα-helixtrans-54.3-29.3169.445.60000112.1I400 N406I400-T402 PolarHBondContact O-N 2.9Å; T402-N406 WeakPolarHBondContact O-CB 3.28Å; T402-N406 PolarHBondContact O-N 2.63Å; T402-N406 PolarHBondContact O-ND2 3.29Å; T402-N406 PolarHBondContact O-OD1 2.99Å
403H35.9Very low35.9Very low151 Ų151115.6 Ų115.670%0.69961%0.613SS**Hα-helixtrans-69.7-37.6-177.3-126.7-67.9000113.7D401 K407D401-H403 PolarHBondContact O-N 2.8Å; D401-H403 VanDerWaalsContact O-N 3.14Å; H403-K407 WeakPolarHBondContact O-CB 3.36Å; H403-K407 PolarHBondContact O-N 3.19Å
404N38.9Very low35.7Very low102 Ų102111.3 Ų111.355%0.54561%0.607SS.*Hα-helixtrans-80.3-38.5177.8-85-19.3000111.7D401 N406 K407 T408D401-N404 PolarHBondContact O-N 3.36Å; N404-N406 VanDerWaalsContact C-N 3.35Å; N404-K407 PolarHBondContact O-N 3.35Å; N404-T408 WeakPolarHBondContact O-CB 3.35Å; N404-T408 PolarHBondContact O-N 3.06Å; N404-T408 PolarHBondContact O-OG1 3.44Å
405L39Very low35.5Very low107 Ų107112.7 Ų112.756%0.5661%0.606SS**Hα-helixtrans-64-41.3173-170.569.2000111.2D401 T408 I409D401-L405 PolarHBondContact O-N 3.13Å; L405-T408 PolarHBondContact O-N 3.35Å; L405-I409 HydrophobicContact CD1-CD1 4Å; L405-I409 HydrophobicContact CD1-CG1 4.37Å; L405-I409 HydrophobicContact CD2-CD1 4.26Å; L405-I409 HydrophobicContact CG-CD1 3.71Å; L405-I409 HydrophobicContact CG-CG1 4.36Å; L405-I409 WeakPolarHBondContact O-CB 3.45Å; L405-I409 VanDerWaalsContact O-CG1 3.25Å; L405-I409 WeakPolarHBondContact O-CG1 3.43Å; L405-I409 PolarHBondContact O-N 3.23Å
406N39.2Very low35.5Very low91 Ų91115.5 Ų115.549%0.48761%0.605SS.*Hα-helixtrans-64.5-39.5174.7-72.6-19000111.9T402 N404 C410T402-N406 WeakPolarHBondContact O-CB 3.28Å; T402-N406 PolarHBondContact O-N 2.63Å; T402-N406 PolarHBondContact O-ND2 3.29Å; T402-N406 PolarHBondContact O-OD1 2.99Å; N404-N406 VanDerWaalsContact C-N 3.35Å; N406-C410 WeakPolarHBondContact O-CA 3.32Å; N406-C410 WeakPolarHBondContact O-CB 3.46Å; N406-C410 PolarHBondContact O-N 3.2Å
407K33.1Very low36Very low132 Ų132111.3 Ų111.357%0.57460%0.597SS**Hα-helixtrans-63.8-46.9172.6-109.4178.9178.3175.40110.9H403 N404 I409 C410 I411H403-K407 WeakPolarHBondContact O-CB 3.36Å; H403-K407 PolarHBondContact O-N 3.19Å; N404-K407 PolarHBondContact O-N 3.35Å; K407-I409 PolarHBondContact O-N 3.13Å; K407-C410 PolarHBondContact O-N 3.34Å; K407-I411 HydrophobicContact CB-CD1 4.41Å; K407-I411 WeakPolarHBondContact O-CB 2.89Å; K407-I411 VanDerWaalsContact O-CD1 3.31Å; K407-I411 WeakPolarHBondContact O-CD1 3.43Å; K407-I411 WeakPolarHBondContact O-CG1 3.45Å; K407-I411 PolarHBondContact O-N 3.31Å
408T33.8Very low36.2Very low77 Ų77109 Ų10947%0.47259%0.593SS.*Hα-helixtrans-67.4-39.2-178-51.10000111.5N404 L405 I411 L412N404-T408 WeakPolarHBondContact O-CB 3.35Å; N404-T408 PolarHBondContact O-N 3.06Å; N404-T408 PolarHBondContact O-OG1 3.44Å; L405-T408 PolarHBondContact O-N 3.35Å; T408-I411 PolarHBondContact O-N 3.12Å; T408-L412 HydrophobicContact CG2-CD1 3.92Å; T408-L412 VanDerWaalsContact O-CB 3.24Å; T408-L412 WeakPolarHBondContact O-CB 3.36Å; T408-L412 WeakPolarHBondContact O-CD1 3.46Å; T408-L412 VanDerWaalsContact O-CG 3.3Å; T408-L412 WeakPolarHBondContact O-CG 3.41Å; T408-L412 PolarHBondContact O-N 3.35Å
409I37.4Very low36.6Very low71 Ų71109 Ų10936%0.36459%0.586SS.*Hα-helixtrans-73.8-39.6175.8-64.4173.8000111.5L405 K407 I411 L412 T413L405-I409 HydrophobicContact CD1-CD1 4Å; L405-I409 HydrophobicContact CD1-CG1 4.37Å; L405-I409 HydrophobicContact CD2-CD1 4.26Å; L405-I409 HydrophobicContact CG-CD1 3.71Å; L405-I409 HydrophobicContact CG-CG1 4.36Å; L405-I409 WeakPolarHBondContact O-CB 3.45Å; L405-I409 VanDerWaalsContact O-CG1 3.25Å; L405-I409 WeakPolarHBondContact O-CG1 3.43Å; L405-I409 PolarHBondContact O-N 3.23Å; K407-I409 PolarHBondContact O-N 3.13Å; I409-I411 VanDerWaalsContact C-N 3.32Å; I409-L412 PolarHBondContact O-N 3.13Å; I409-T413 HydrophobicContact CG2-CG2 4.32Å; I409-T413 WeakPolarHBondContact O-CB 3.36Å; I409-T413 VanDerWaalsContact O-CG2 3.27Å; I409-T413 WeakPolarHBondContact O-CG2 3.21Å; I409-T413 PolarHBondContact O-N 3.09Å; I409-T413 PolarHBondContact O-OG1 2.83Å
410C32.3Very low37.7Very low67 Ų67102.8 Ų102.845%0.45356%0.555SS.*Hα-helixtrans-64.7-37.3171.6-86.80000111.4N406 K407 T413 A414N406-C410 WeakPolarHBondContact O-CA 3.32Å; N406-C410 WeakPolarHBondContact O-CB 3.46Å; N406-C410 PolarHBondContact O-N 3.2Å; K407-C410 PolarHBondContact O-N 3.34Å; C410-T413 WeakPolarHBondContact CA-OG1 3.48Å; C410-T413 PolarHBondContact O-OG1 2.83Å; C410-A414 WeakPolarHBondContact O-CA 3.5Å; C410-A414 WeakPolarHBondContact O-CB 3.2Å; C410-A414 PolarHBondContact O-N 3.05Å
411I35.7Very low39.1Very low83 Ų8398 Ų9843%0.42653%0.533SS..Hα-helixtrans-72.2-38.1175.2-68.2163.7000110.3K407 T408 I409 A414 K415K407-I411 HydrophobicContact CB-CD1 4.41Å; K407-I411 WeakPolarHBondContact O-CB 2.89Å; K407-I411 VanDerWaalsContact O-CD1 3.31Å; K407-I411 WeakPolarHBondContact O-CD1 3.43Å; K407-I411 WeakPolarHBondContact O-CG1 3.45Å; K407-I411 PolarHBondContact O-N 3.31Å; T408-I411 PolarHBondContact O-N 3.12Å; I409-I411 VanDerWaalsContact C-N 3.32Å; I411-A414 PolarHBondContact O-N 2.95Å; I411-K415 HydrophobicContact CG2-CD 3.77Å; I411-K415 HydrophobicContact CG2-CG 3.93Å; I411-K415 WeakPolarHBondContact O-CA 3.16Å; I411-K415 WeakPolarHBondContact O-CB 3.31Å; I411-K415 WeakPolarHBondContact O-CG 3.2Å; I411-K415 PolarHBondContact O-N 3.31Å
412L33Very low40.5Very low116 Ų11694.2 Ų94.261%0.60751%0.512SS*.Hα-helixtrans-67.1-36.4174.2-84.8154.3000111.8T408 I409 K416T408-L412 HydrophobicContact CG2-CD1 3.92Å; T408-L412 VanDerWaalsContact O-CB 3.24Å; T408-L412 WeakPolarHBondContact O-CB 3.36Å; T408-L412 WeakPolarHBondContact O-CD1 3.46Å; T408-L412 VanDerWaalsContact O-CG 3.3Å; T408-L412 WeakPolarHBondContact O-CG 3.41Å; T408-L412 PolarHBondContact O-N 3.35Å; I409-L412 PolarHBondContact O-N 3.13Å; L412-K416 PolarHBondContact O-N 2.98Å
413T32.8Very low42Very low74 Ų7490.7 Ų90.745%0.45449%0.492SS..Hα-helixtrans-83.2-21176.657.90000113.6I409 C410I409-T413 HydrophobicContact CG2-CG2 4.32Å; I409-T413 WeakPolarHBondContact O-CB 3.36Å; I409-T413 VanDerWaalsContact O-CG2 3.27Å; I409-T413 WeakPolarHBondContact O-CG2 3.21Å; I409-T413 PolarHBondContact O-N 3.09Å; I409-T413 PolarHBondContact O-OG1 2.83Å; C410-T413 WeakPolarHBondContact CA-OG1 3.48Å; C410-T413 PolarHBondContact O-OG1 2.83Å
414A33.2Very low43.9Very low70 Ų7084.3 Ų84.358%0.57946%0.463SS*.Hα-helixtrans-91.9-31.7173.400000113.3C410 I411 K416C410-A414 WeakPolarHBondContact O-CA 3.5Å; C410-A414 WeakPolarHBondContact O-CB 3.2Å; C410-A414 PolarHBondContact O-N 3.05Å; I411-A414 PolarHBondContact O-N 2.95Å; A414-K416 VanDerWaalsContact C-N 3.33Å; A414-K416 CarbonylContact O-C 3.44Å
415K28.1Very low45.8Very low171 Ų17179.5 Ų79.574%0.74344%0.438SS*.Hα-helixtrans-74.6-20.2173.3-83.1-172.7172.9-179.60112.9I411 S417I411-K415 HydrophobicContact CG2-CD 3.77Å; I411-K415 HydrophobicContact CG2-CG 3.93Å; I411-K415 WeakPolarHBondContact O-CA 3.16Å; I411-K415 WeakPolarHBondContact O-CB 3.31Å; I411-K415 WeakPolarHBondContact O-CG 3.2Å; I411-K415 PolarHBondContact O-N 3.31Å; K415-S417 PolarHBondContact O-N 2.95Å
416K32.6Very low47.9Very low167 Ų16780 Ų8073%0.72643%0.432SS*.SBendtrans-67.686150.6-110.5180179.5173.80105.3L412 A414 S418L412-K416 PolarHBondContact O-N 2.98Å; A414-K416 VanDerWaalsContact C-N 3.33Å; A414-K416 CarbonylContact O-C 3.44Å; K416-S418 VanDerWaalsContact C-N 3.27Å; K416-S418 WeakPolarHBondContact O-CA 3.2Å; K416-S418 PolarHBondContact O-N 3Å
417S40.3Very low50.1Low84 Ų8475.7 Ų75.759%0.58741%0.409SS*.  trans-41.9104.8162.449.20000105.6K415 I419K415-S417 PolarHBondContact O-N 2.95Å; S417-I419 VanDerWaalsContact C-N 3.3Å; S417-I419 PolarHBondContact O-N 3.38Å
418S42.1Very low52.6Low100 Ų10069.4 Ų69.470%0.69938%0.382SS*.  trans-67.2100.4-166.158.60000105.3K416 N420K416-S418 VanDerWaalsContact C-N 3.27Å; K416-S418 WeakPolarHBondContact O-CA 3.2Å; K416-S418 PolarHBondContact O-N 3Å; S418-N420 VanDerWaalsContact C-N 3.31Å; S418-N420 PolarHBondContact O-N 3.39Å
419I49.1Very low55.2Low101 Ų10166.4 Ų66.452%0.51836%0.363SS..  trans-47.1106.8166.5-74.5161.7000103.9S417 P421 I424 Q544S417-I419 VanDerWaalsContact C-N 3.3Å; S417-I419 PolarHBondContact O-N 3.38Å; I419-P421 WeakPolarHBondContact O-CD 3.47Å; I419-P421 VanDerWaalsContact O-N 3.08Å; I419-I424 HydrophobicContact CG2-CD1 3.55Å; I419-Q544 VanDerWaalsContact CG1-NE2 3.26Å
420N60.5Low57.6Low32 Ų3265.8 Ų65.817%0.17136%0.362CS..  trans-77.897.9179-173.2-8.8000105Q371 S418 Q422 A423 I424Q371-N420 PolarHBondContact NE2-ND2 2.94Å; Q371-N420 VanDerWaalsContact NE2-ND2 3.19Å; Q371-N420 PolarHBondContact NE2-OD1 2.92Å; Q371-N420 PolarHBondContact OE1-ND2 3.34Å; S418-N420 VanDerWaalsContact C-N 3.31Å; S418-N420 PolarHBondContact O-N 3.39Å; N420-Q422 PolarHBondContact O-N 2.67Å; N420-Q422 WeakPolarHBondContact OD1-CB 3.42Å; N420-Q422 PolarHBondContact OD1-N 3.08Å; N420-A423 HydrophobicContact CB-CB 3.96Å; N420-A423 PolarHBondContact O-N 3.04Å; N420-I424 PolarHBondContact O-N 3.48Å
421P64.4Low60.3Low51 Ų5163.1 Ų63.133%0.33134%0.344SS..Hα-helixtrans-58.8-25.1-172.728.3-36.7000110.5R234 I419 S425R234-P421 PolarHBondContact NH2-O 3.48Å; I419-P421 WeakPolarHBondContact O-CD 3.47Å; I419-P421 VanDerWaalsContact O-N 3.08Å; P421-S425 WeakPolarHBondContact O-CB 3.28Å; P421-S425 PolarHBondContact O-N 2.84Å
422Q68.5Low62.8Low35 Ų3559.1 Ų59.116%0.16432%0.323CS..Hα-helixtrans-74.8-34178-168.1173.6-17.400113.4I361 N420 S425 R426I361-Q422 VanDerWaalsContact CG1-NE2 3.27Å; N420-Q422 PolarHBondContact O-N 2.67Å; N420-Q422 WeakPolarHBondContact OD1-CB 3.42Å; N420-Q422 PolarHBondContact OD1-N 3.08Å; Q422-S425 PolarHBondContact O-N 3.49Å; Q422-R426 VanDerWaalsContact O-CG 3.32Å; Q422-R426 WeakPolarHBondContact O-CG 3.13Å; Q422-R426 PolarHBondContact O-N 3.23Å; Q422-R426 PolarHBondContact O-NE 2.98Å
423A72.3Confident65.6Low22 Ų2258 Ų5818%0.18232%0.317CS..Hα-helixtrans-64.3-46.8173.700000110.5N420 S425 R426 M427N420-A423 HydrophobicContact CB-CB 3.96Å; N420-A423 PolarHBondContact O-N 3.04Å; A423-S425 VanDerWaalsContact C-N 3.34Å; A423-S425 PolarHBondContact O-N 3.02Å; A423-R426 PolarHBondContact O-N 2.96Å; A423-M427 PolarHBondContact O-N 3.04Å
424I76.1Confident68.4Low17 Ų1755.5 Ų55.59%0.08730%0.3CS..Hα-helixtrans-59.7-44.1174.3-61.2179.6000110.8V134 F135 I419 N420 R426 M427 L428V134-I424 HydrophobicContact CG1-CG2 4.49Å; F135-I424 HydrophobicContact CE2-CD1 4.21Å; F135-I424 HydrophobicContact CZ-CD1 3.78Å; F135-I424 HydrophobicContact CZ-CG1 4.25Å; I419-I424 HydrophobicContact CG2-CD1 3.55Å; N420-I424 PolarHBondContact O-N 3.48Å; I424-R426 VanDerWaalsContact C-N 3.33Å; I424-R426 PolarHBondContact O-N 3.4Å; I424-M427 PolarHBondContact O-N 2.73Å; I424-L428 HydrophobicContact CG2-CD1 3.96Å; I424-L428 HydrophobicContact CG2-CG 4.35Å; I424-L428 VanDerWaalsContact O-CG 3.27Å; I424-L428 WeakPolarHBondContact O-CG 3.28Å; I424-L428 PolarHBondContact O-N 3.02Å
425S78.2Confident71Confident2 Ų252.5 Ų52.51%0.01427%0.274CS..Hα-helixtrans-58-44176.3-124.20000112.9R234 P421 Q422 A423 L428 I429R234-S425 VanDerWaalsContact CZ-OG 3.23Å; R234-S425 PolarHBondContact NE-OG 2.67Å; R234-S425 PolarHBondContact NH2-OG 3.02Å; P421-S425 WeakPolarHBondContact O-CB 3.28Å; P421-S425 PolarHBondContact O-N 2.84Å; Q422-S425 PolarHBondContact O-N 3.49Å; A423-S425 VanDerWaalsContact C-N 3.34Å; A423-S425 PolarHBondContact O-N 3.02Å; S425-L428 PolarHBondContact O-N 2.98Å; S425-I429 VanDerWaalsContact O-CG1 3.31Å; S425-I429 WeakPolarHBondContact O-CG1 3.41Å; S425-I429 PolarHBondContact O-N 3.25Å
426R83.7Confident73.9Confident117 Ų11745.6 Ų45.644%0.44225%0.245SC..Hα-helixtrans-66.4-45.1-179.5-75.6-178.1-69.6179.61.8111.4M357 Q422 A423 I424 L428 I429 V430M357-R426 HydrophobicContact SD-CG 3.89Å; Q422-R426 VanDerWaalsContact O-CG 3.32Å; Q422-R426 WeakPolarHBondContact O-CG 3.13Å; Q422-R426 PolarHBondContact O-N 3.23Å; Q422-R426 PolarHBondContact O-NE 2.98Å; A423-R426 PolarHBondContact O-N 2.96Å; I424-R426 VanDerWaalsContact C-N 3.33Å; I424-R426 PolarHBondContact O-N 3.4Å; R426-L428 VanDerWaalsContact C-N 3.35Å; R426-L428 PolarHBondContact O-N 3.28Å; R426-I429 PolarHBondContact O-N 2.89Å; R426-V430 WeakPolarHBondContact O-CG2 3.3Å; R426-V430 PolarHBondContact O-N 3.2Å; R426-V430 VanDerWaalsContact O-N 3.11Å
427M85.7Confident76.7Confident0 Ų040.3 Ų40.30%023%0.232CC..Hα-helixtrans-53.8-51.1172.6175.2-161.6168.800111L138 A423 I424 I429 V430 V431 I537 Y538 M541L138-M427 HydrophobicContact CD1-CE 4.12Å; A423-M427 PolarHBondContact O-N 3.04Å; I424-M427 PolarHBondContact O-N 2.73Å; M427-I429 VanDerWaalsContact C-N 3.35Å; M427-I429 PolarHBondContact O-N 3.12Å; M427-V430 PolarHBondContact O-N 2.82Å; M427-V430 VanDerWaalsContact O-N 3.15Å; M427-V431 VanDerWaalsContact O-CG2 3.26Å; M427-V431 WeakPolarHBondContact O-CG2 3.09Å; M427-V431 PolarHBondContact O-N 2.74Å; M427-I537 HydrophobicContact CG-CG2 4.47Å; M427-Y538 HydrophobicContact CE-CD1 3.02Å; M427-Y538 HydrophobicContact CE-CE1 3.55Å; M427-Y538 HydrophobicContact CE-CG 3.69Å; M427-M541 HydrophobicContact CB-CB 3.83Å; M427-M541 HydrophobicContact CG-CB 3.99Å
428L85.1Confident79Confident0 Ų038.9 Ų38.90%022%0.217CC..Hα-helixtrans-63.4-37.4-179.4-65.1169.5000112.7V134 L138 L230 R234 I424 S425 R426 V430 V431 L432V134-L428 HydrophobicContact CG1-CD1 3.82Å; V134-L428 HydrophobicContact CG1-CD2 4.06Å; L138-L428 HydrophobicContact CD1-CD2 4.08Å; L138-L428 HydrophobicContact CD2-CD2 4.43Å; L230-L428 HydrophobicContact CD1-CD2 4.07Å; L230-L428 HydrophobicContact CD2-CD2 3.99Å; L230-L428 HydrophobicContact CG-CD2 4.32Å; R234-L428 HydrophobicContact CB-CD1 4.31Å; R234-L428 HydrophobicContact CG-CD1 3.84Å; I424-L428 HydrophobicContact CG2-CD1 3.96Å; I424-L428 HydrophobicContact CG2-CG 4.35Å; I424-L428 VanDerWaalsContact O-CG 3.27Å; I424-L428 WeakPolarHBondContact O-CG 3.28Å; I424-L428 PolarHBondContact O-N 3.02Å; S425-L428 PolarHBondContact O-N 2.98Å; R426-L428 VanDerWaalsContact C-N 3.35Å; R426-L428 PolarHBondContact O-N 3.28Å; L428-V430 VanDerWaalsContact C-N 3.32Å; L428-V430 PolarHBondContact O-N 3.31Å; L428-V431 PolarHBondContact O-N 3Å; L428-L432 WeakPolarHBondContact O-CB 3.35Å; L428-L432 WeakPolarHBondContact O-CG 3.46Å; L428-L432 PolarHBondContact O-N 2.91Å
429I88.1Confident81.2Confident15 Ų1534.5 Ų34.58%0.07719%0.185CC..Hα-helixtrans-58.8-46.7173.7-71.2162.9000110.6L353 V354 M357 S425 R426 M427 V431 L432 I433L353-I429 HydrophobicContact CD2-CB 4.49Å; L353-I429 HydrophobicContact CD2-CD1 3.5Å; L353-I429 VanDerWaalsContact CD2-CD1 3.5Å; L353-I429 HydrophobicContact CD2-CG1 3.07Å; V354-I429 HydrophobicContact CG2-CD1 4.32Å; V354-I429 HydrophobicContact CG2-CG1 4.44Å; V354-I429 HydrophobicContact CG2-CG2 4.12Å; M357-I429 HydrophobicContact CE-CD1 3.51Å; M357-I429 HydrophobicContact SD-CD1 3.36Å; M357-I429 WeakPolarHBondContact SD-CD1 3.24Å; S425-I429 VanDerWaalsContact O-CG1 3.31Å; S425-I429 WeakPolarHBondContact O-CG1 3.41Å; S425-I429 PolarHBondContact O-N 3.25Å; R426-I429 PolarHBondContact O-N 2.89Å; M427-I429 VanDerWaalsContact C-N 3.35Å; M427-I429 PolarHBondContact O-N 3.12Å; I429-V431 VanDerWaalsContact C-N 3.32Å; I429-V431 PolarHBondContact O-N 3.02Å; I429-L432 PolarHBondContact O-N 3.13Å; I429-I433 HydrophobicContact CG2-CD1 3.58Å; I429-I433 HydrophobicContact CG2-CG1 4.25Å; I429-I433 WeakPolarHBondContact O-CB 3.42Å; I429-I433 VanDerWaalsContact O-CG1 3.31Å; I429-I433 WeakPolarHBondContact O-CG1 3.01Å; I429-I433 PolarHBondContact O-N 3.07Å
430V89Confident83.1Confident57 Ų5732.8 Ų32.835%0.34518%0.177SC..Hα-helixtrans-62-43.1179.4174.40000110.6R426 M427 L428 I433 K434 I537 M541R426-V430 WeakPolarHBondContact O-CG2 3.3Å; R426-V430 PolarHBondContact O-N 3.2Å; R426-V430 VanDerWaalsContact O-N 3.11Å; M427-V430 PolarHBondContact O-N 2.82Å; M427-V430 VanDerWaalsContact O-N 3.15Å; L428-V430 VanDerWaalsContact C-N 3.32Å; L428-V430 PolarHBondContact O-N 3.31Å; V430-I433 PolarHBondContact O-N 3.25Å; V430-K434 VanDerWaalsContact O-CB 3.29Å; V430-K434 WeakPolarHBondContact O-CB 3.48Å; V430-K434 PolarHBondContact O-N 3.49Å; V430-I537 HydrophobicContact CG1-CD1 4.21Å; V430-I537 HydrophobicContact CG1-CG1 4.32Å; V430-I537 HydrophobicContact CG1-CG2 4.12Å; V430-M541 HydrophobicContact CG2-CE 4.49Å
431V87.7Confident84.5Confident11 Ų1134 Ų347%0.06719%0.186CC..Hα-helixtrans-61.8-44.4176.7176.30000111.3M427 L428 I429 K434 F435 I537 Y538M427-V431 VanDerWaalsContact O-CG2 3.26Å; M427-V431 WeakPolarHBondContact O-CG2 3.09Å; M427-V431 PolarHBondContact O-N 2.74Å; L428-V431 PolarHBondContact O-N 3Å; I429-V431 VanDerWaalsContact C-N 3.32Å; I429-V431 PolarHBondContact O-N 3.02Å; V431-K434 PolarHBondContact O-N 3.34Å; V431-F435 WeakPolarHBondContact O-CB 3.22Å; V431-F435 PolarHBondContact O-N 3.1Å; V431-I537 HydrophobicContact CG2-CG2 3.78Å; V431-Y538 HydrophobicContact CG2-CD1 4.33Å; V431-Y538 HydrophobicContact CG2-CE1 3.65Å
432L89.5Confident85.7Confident0 Ų031.9 Ų31.90%017%0.172CC..Hα-helixtrans-67.9-42.4179.6-70171.1000112.3T227 L230 A231 L346 T350 L353 L428 I429 F435 I436T227-L432 HydrophobicContact CG2-CD2 3.68Å; L230-L432 HydrophobicContact CD2-CD2 4.11Å; L230-L432 HydrophobicContact CD2-CG 4.48Å; A231-L432 HydrophobicContact CB-CD1 3.92Å; A231-L432 HydrophobicContact CB-CD2 3.93Å; L346-L432 HydrophobicContact CD2-CD2 3.93Å; T350-L432 HydrophobicContact CG2-CB 4.49Å; L353-L432 HydrophobicContact CD1-CD1 4.44Å; L428-L432 WeakPolarHBondContact O-CB 3.35Å; L428-L432 WeakPolarHBondContact O-CG 3.46Å; L428-L432 PolarHBondContact O-N 2.91Å; I429-L432 PolarHBondContact O-N 3.13Å; L432-F435 WeakPolarHBondContact O-CB 3.48Å; L432-F435 PolarHBondContact O-N 2.95Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.25Å; L432-I436 PolarHBondContact O-N 3.34Å
433I90.8Very high86.6Confident91 Ų9130.5 Ų30.547%0.46717%0.167SC..Hα-helixtrans-63.5-45175.3-68.9171.9000110.2T350 I429 V430 F435 I436 A437T350-I433 HydrophobicContact CG2-CG1 4.1Å; I429-I433 HydrophobicContact CG2-CD1 3.58Å; I429-I433 HydrophobicContact CG2-CG1 4.25Å; I429-I433 WeakPolarHBondContact O-CB 3.42Å; I429-I433 VanDerWaalsContact O-CG1 3.31Å; I429-I433 WeakPolarHBondContact O-CG1 3.01Å; I429-I433 PolarHBondContact O-N 3.07Å; V430-I433 PolarHBondContact O-N 3.25Å; I433-F435 VanDerWaalsContact C-N 3.3Å; I433-F435 PolarHBondContact O-N 2.87Å; I433-I436 PolarHBondContact O-N 3.34Å; I433-A437 VanDerWaalsContact O-CB 3.31Å; I433-A437 WeakPolarHBondContact O-CB 3.42Å; I433-A437 PolarHBondContact O-N 3.16Å
434K90.8Very high87.4Confident22 Ų2233.8 Ų33.810%0.09618%0.18CC..Hα-helixtrans-56.9-46.4174.5-173.3-129.987.1173.40110.9V430 V431 A437 M438 S530 L533 N534 I537V430-K434 VanDerWaalsContact O-CB 3.29Å; V430-K434 WeakPolarHBondContact O-CB 3.48Å; V430-K434 PolarHBondContact O-N 3.49Å; V431-K434 PolarHBondContact O-N 3.34Å; K434-A437 PolarHBondContact O-N 2.03Å; K434-M438 VanDerWaalsContact O-CG 3.26Å; K434-M438 WeakPolarHBondContact O-CG 3.21Å; K434-M438 PolarHBondContact O-N 3.42Å; K434-S530 PolarHBondContact NZ-O 3.21Å; K434-S530 PolarHBondContact NZ-OG 3.29Å; K434-L533 HydrophobicContact CD-CB 4.13Å; K434-L533 HydrophobicContact CD-CD1 4.41Å; K434-L533 HydrophobicContact CG-CD1 4.5Å; K434-N534 PolarHBondContact NZ-OD1 3.08Å; K434-I537 HydrophobicContact CB-CD1 4.46Å; K434-I537 HydrophobicContact CD-CD1 4.05Å; K434-I537 HydrophobicContact CG-CD1 4.37Å
435F88.9Confident88.1Confident8 Ų834.3 Ų34.34%0.03519%0.185CC..Hα-helixtrans-60.2-50.8178.5-173.6-83.5000111.3V224 T227 L346 V431 L432 I433 A437 M438 H439V224-F435 HydrophobicContact CB-CZ 4.19Å; V224-F435 HydrophobicContact CG1-CE1 4.5Å; V224-F435 HydrophobicContact CG1-CZ 4.23Å; V224-F435 HydrophobicContact CG2-CZ 3.87Å; T227-F435 HydrophobicContact CG2-CD1 4.2Å; T227-F435 HydrophobicContact CG2-CD2 4.1Å; T227-F435 HydrophobicContact CG2-CE1 4.42Å; T227-F435 HydrophobicContact CG2-CE2 4.3Å; T227-F435 HydrophobicContact CG2-CG 4.04Å; T227-F435 HydrophobicContact CG2-CZ 4.46Å; L346-F435 HydrophobicContact CD1-CD1 3.59Å; L346-F435 HydrophobicContact CD1-CE1 3.39Å; L346-F435 HydrophobicContact CD1-CZ 4.46Å; V431-F435 WeakPolarHBondContact O-CB 3.22Å; V431-F435 PolarHBondContact O-N 3.1Å; L432-F435 WeakPolarHBondContact O-CB 3.48Å; L432-F435 PolarHBondContact O-N 2.95Å; I433-F435 VanDerWaalsContact C-N 3.3Å; I433-F435 PolarHBondContact O-N 2.87Å; F435-A437 VanDerWaalsContact C-N 3.33Å; F435-A437 PolarHBondContact O-N 2.89Å; F435-M438 PolarHBondContact O-N 3.36Å; F435-H439 HydrophobicContact CD1-CB 4.39Å; F435-H439 AromaticContact CD1-CD2 3.74Å; F435-H439 AromaticContact CD2-CD2 3.5Å; F435-H439 VanDerWaalsContact CD2-CD2 3.5Å; F435-H439 WeakPolarHBondContact CD2-CD2 3.4Å; F435-H439 AromaticContact CD2-NE2 3.56Å; F435-H439 HydrophobicContact CE1-CB 4.09Å; F435-H439 AromaticContact CE1-CD2 3.63Å; F435-H439 AromaticContact CE1-CG 3.78Å; F435-H439 AromaticContact CE2-CD2 3.38Å; F435-H439 WeakPolarHBondContact CE2-CD2 3.45Å; F435-H439 AromaticContact CE2-CE1 3.84Å; F435-H439 AromaticContact CE2-NE2 3.18Å; F435-H439 WeakPolarHBondContact CE2-NE2 3.07Å; F435-H439 AromaticContact CG-CD2 3.68Å; F435-H439 AromaticContact CZ-CD2 3.44Å; F435-H439 VanDerWaalsContact CZ-CD2 3.44Å; F435-H439 WeakPolarHBondContact CZ-CD2 3.01Å; F435-H439 AromaticContact CZ-CE1 3.87Å; F435-H439 AromaticContact CZ-CG 3.75Å; F435-H439 AromaticContact CZ-ND1 3.99Å; F435-H439 AromaticContact CZ-NE2 3.55Å; F435-H439 WeakPolarHBondContact O-CB 3.42Å; F435-H439 PolarHBondContact O-CD2 2.97Å; F435-H439 VanDerWaalsContact O-CD2 3.25Å; F435-H439 PolarHBondContact O-N 2.78Å
436I89.5Confident88.4Confident25 Ų2535.3 Ų35.313%0.12819%0.189CC..Hα-helixtrans-59.3-45178.2-67.3163.6000110.9L346 I347 L432 I433 M438 L440L346-I436 HydrophobicContact CB-CD1 4.13Å; L346-I436 HydrophobicContact CB-CG1 4.05Å; I347-I436 HydrophobicContact CD1-CG2 4.32Å; I347-I436 HydrophobicContact CG1-CD1 4.06Å; I347-I436 HydrophobicContact CG1-CG1 4.4Å; I347-I436 HydrophobicContact CG1-CG2 3.86Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.25Å; L432-I436 PolarHBondContact O-N 3.34Å; I433-I436 PolarHBondContact O-N 3.34Å; I436-M438 PolarHBondContact O-N 3.44Å; I436-L440 WeakPolarHBondContact O-CB 3.41Å; I436-L440 PolarHBondContact O-N 3.31Å
437A90Very high88.6Confident56 Ų5630.6 Ų30.646%0.46317%0.174SC..Hα-helixtrans-60.2-30.1-178.800000113.3I433 K434 F435 P441I433-A437 VanDerWaalsContact O-CB 3.31Å; I433-A437 WeakPolarHBondContact O-CB 3.42Å; I433-A437 PolarHBondContact O-N 3.16Å; K434-A437 PolarHBondContact O-N 2.03Å; F435-A437 VanDerWaalsContact C-N 3.33Å; F435-A437 PolarHBondContact O-N 2.89Å; A437-P441 VanDerWaalsContact O-CD 3.26Å; A437-P441 WeakPolarHBondContact O-CD 3.32Å; A437-P441 WeakPolarHBondContact O-CG 3.25Å
438M89.6Confident88.7Confident54 Ų5434.8 Ų34.827%0.26620%0.195SC..Hα-helixtrans-95.9-36.3-177.4-59-62.7170.100112.9K434 F435 I436 V526 I527K434-M438 VanDerWaalsContact O-CG 3.26Å; K434-M438 WeakPolarHBondContact O-CG 3.21Å; K434-M438 PolarHBondContact O-N 3.42Å; F435-M438 PolarHBondContact O-N 3.36Å; I436-M438 PolarHBondContact O-N 3.44Å; M438-V526 HydrophobicContact SD-CG1 3.44Å; M438-V526 WeakPolarHBondContact SD-CG1 3.39Å; M438-I527 HydrophobicContact CB-CG1 4.45Å
439H87.6Confident88.7Confident9 Ų938.1 Ų38.14%0.04221%0.208CC..Hα-helixtrans-84.2-28.8-178.2-74.5-89.8000113.5H220 F435 N442 A443H220-H439 AromaticContact NE2-CE1 3.28Å; H220-H439 PolarHBondContact NE2-CE1 2.97Å; H220-H439 VanDerWaalsContact NE2-CE1 3.28Å; H220-H439 AromaticContact NE2-ND1 3.47Å; H220-H439 PolarHBondContact NE2-ND1 3.44Å; F435-H439 HydrophobicContact CD1-CB 4.39Å; F435-H439 AromaticContact CD1-CD2 3.74Å; F435-H439 AromaticContact CD2-CD2 3.5Å; F435-H439 VanDerWaalsContact CD2-CD2 3.5Å; F435-H439 WeakPolarHBondContact CD2-CD2 3.4Å; F435-H439 AromaticContact CD2-NE2 3.56Å; F435-H439 HydrophobicContact CE1-CB 4.09Å; F435-H439 AromaticContact CE1-CD2 3.63Å; F435-H439 AromaticContact CE1-CG 3.78Å; F435-H439 AromaticContact CE2-CD2 3.38Å; F435-H439 WeakPolarHBondContact CE2-CD2 3.45Å; F435-H439 AromaticContact CE2-CE1 3.84Å; F435-H439 AromaticContact CE2-NE2 3.18Å; F435-H439 WeakPolarHBondContact CE2-NE2 3.07Å; F435-H439 AromaticContact CG-CD2 3.68Å; F435-H439 AromaticContact CZ-CD2 3.44Å; F435-H439 VanDerWaalsContact CZ-CD2 3.44Å; F435-H439 WeakPolarHBondContact CZ-CD2 3.01Å; F435-H439 AromaticContact CZ-CE1 3.87Å; F435-H439 AromaticContact CZ-CG 3.75Å; F435-H439 AromaticContact CZ-ND1 3.99Å; F435-H439 AromaticContact CZ-NE2 3.55Å; F435-H439 WeakPolarHBondContact O-CB 3.42Å; F435-H439 PolarHBondContact O-CD2 2.97Å; F435-H439 VanDerWaalsContact O-CD2 3.25Å; F435-H439 PolarHBondContact O-N 2.78Å; H439-N442 PolarHBondContact O-N 2.93Å; H439-A443 WeakPolarHBondContact O-CB 3.2Å; H439-A443 PolarHBondContact O-N 3.23Å
440L88.8Confident88.4Confident64 Ų6438.3 Ų38.334%0.33521%0.21SC..Hα-helixtrans-63.1-45.8-179.1-179.266.2000112.8C343 I436 N442 A443 I444C343-L440 HydrophobicContact CB-CD1 4.46Å; I436-L440 WeakPolarHBondContact O-CB 3.41Å; I436-L440 PolarHBondContact O-N 3.31Å; L440-N442 PolarHBondContact O-N 3.36Å; L440-A443 WeakPolarHBondContact O-CB 3.41Å; L440-A443 PolarHBondContact O-N 2.88Å; L440-I444 HydrophobicContact CD1-CD1 4.17Å; L440-I444 HydrophobicContact CD1-CG1 4.46Å; L440-I444 HydrophobicContact CG-CD1 4.03Å; L440-I444 WeakPolarHBondContact O-CG1 3.46Å; L440-I444 PolarHBondContact O-N 2.98Å; L440-I444 VanDerWaalsContact O-N 3.07Å
441P90.4Very high88.2Confident58 Ų5839.2 Ų39.238%0.37721%0.213SC..Hα-helixtrans-60.8-43.8175.7-2435.2000112.6A437 A443 I444 V445A437-P441 VanDerWaalsContact O-CD 3.26Å; A437-P441 WeakPolarHBondContact O-CD 3.32Å; A437-P441 WeakPolarHBondContact O-CG 3.25Å; P441-A443 VanDerWaalsContact C-N 3.34Å; P441-A443 PolarHBondContact O-N 2.73Å; P441-I444 PolarHBondContact O-N 3.47Å; P441-V445 WeakPolarHBondContact O-CG2 3.18Å; P441-V445 PolarHBondContact O-N 3.13Å
442N88.5Confident88Confident6 Ų641.4 Ų41.43%0.03222%0.22CC..Hα-helixtrans-60.5-44.3177.7-171.432.5000111.7H439 L440 I444 V445 L446 C523 N524 I527H439-N442 PolarHBondContact O-N 2.93Å; L440-N442 PolarHBondContact O-N 3.36Å; N442-I444 VanDerWaalsContact C-N 3.31Å; N442-I444 PolarHBondContact O-N 3.28Å; N442-V445 PolarHBondContact O-N 2.94Å; N442-L446 WeakPolarHBondContact O-CB 3.32Å; N442-L446 PolarHBondContact O-N 3.45Å; N442-C523 HydrophobicContact CB-CB 3.9Å; N442-N524 PolarHBondContact ND2-OD1 3.06Å; N442-N524 PolarHBondContact OD1-OD1 3.37Å; N442-I527 HydrophobicContact CB-CD1 3.6Å; N442-I527 WeakPolarHBondContact ND2-CD1 3.46Å
443A88.3Confident87.4Confident6 Ų645 Ų455%0.0524%0.235CC..Hα-helixtrans-57.7-4417600000111.8H339 H439 L440 P441 T447H339-A443 HydrophobicContact CB-CB 3.84Å; H439-A443 WeakPolarHBondContact O-CB 3.2Å; H439-A443 PolarHBondContact O-N 3.23Å; L440-A443 WeakPolarHBondContact O-CB 3.41Å; L440-A443 PolarHBondContact O-N 2.88Å; P441-A443 VanDerWaalsContact C-N 3.34Å; P441-A443 PolarHBondContact O-N 2.73Å; A443-T447 VanDerWaalsContact O-CB 3.24Å; A443-T447 WeakPolarHBondContact O-CB 3.38Å; A443-T447 PolarHBondContact O-N 3.11Å; A443-T447 PolarHBondContact O-OG1 2.69Å
444I89.4Confident86.7Confident91 Ų9141.6 Ų41.647%0.46722%0.218SC..Hα-helixtrans-66.4-53.1179.6-66.2165.1000110.9L440 P441 N442 L446 T447 I448L440-I444 HydrophobicContact CD1-CD1 4.17Å; L440-I444 HydrophobicContact CD1-CG1 4.46Å; L440-I444 HydrophobicContact CG-CD1 4.03Å; L440-I444 WeakPolarHBondContact O-CG1 3.46Å; L440-I444 PolarHBondContact O-N 2.98Å; L440-I444 VanDerWaalsContact O-N 3.07Å; P441-I444 PolarHBondContact O-N 3.47Å; N442-I444 VanDerWaalsContact C-N 3.31Å; N442-I444 PolarHBondContact O-N 3.28Å; I444-L446 PolarHBondContact O-N 2.91Å; I444-T447 PolarHBondContact O-N 3.21Å; I444-I448 HydrophobicContact CG2-CD1 3.86Å; I444-I448 WeakPolarHBondContact O-CG1 3.01Å; I444-I448 PolarHBondContact O-N 3.07Å
445V89.9Confident86.1Confident29 Ų2947.3 Ų47.318%0.17624%0.239CC..Hα-helixtrans-61.5-45.2-177175.60000111.1P441 N442 T447 I448 Y449 A519 V520P441-V445 WeakPolarHBondContact O-CG2 3.18Å; P441-V445 PolarHBondContact O-N 3.13Å; N442-V445 PolarHBondContact O-N 2.94Å; V445-T447 VanDerWaalsContact C-N 3.34Å; V445-T447 PolarHBondContact O-N 3.49Å; V445-I448 PolarHBondContact O-N 3.32Å; V445-Y449 WeakPolarHBondContact O-CB 3.45Å; V445-Y449 PolarHBondContact O-N 3.29Å; V445-A519 HydrophobicContact CG1-CB 3.79Å; V445-V520 HydrophobicContact CG1-CG2 3.74Å
446L85Confident85.2Confident22 Ų2252.5 Ų52.512%0.11526%0.261CS..Hα-helixtrans-66-37.7178.7-174.965.3000112H339 N442 I444 Y449 V450 V520H339-L446 VanDerWaalsContact CE1-CD2 3.47Å; H339-L446 WeakPolarHBondContact CE1-CD2 3.39Å; H339-L446 VanDerWaalsContact NE2-CD2 3.28Å; H339-L446 WeakPolarHBondContact NE2-CD2 3.39Å; N442-L446 WeakPolarHBondContact O-CB 3.32Å; N442-L446 PolarHBondContact O-N 3.45Å; I444-L446 PolarHBondContact O-N 2.91Å; L446-Y449 PolarHBondContact O-N 3.19Å; L446-V450 HydrophobicContact CD1-CG2 4.13Å; L446-V450 HydrophobicContact CG-CG2 4.33Å; L446-V450 WeakPolarHBondContact O-CB 3.42Å; L446-V450 VanDerWaalsContact O-CG2 3.31Å; L446-V450 WeakPolarHBondContact O-CG2 3.28Å; L446-V450 PolarHBondContact O-N 3.42Å; L446-V520 HydrophobicContact CD1-CG1 4.34Å; L446-V520 HydrophobicContact CD1-CG2 4.33Å
447T86.9Confident84.1Confident19 Ų1955.7 Ų55.712%0.11728%0.282CS..Hα-helixtrans-61.8-46.4175.3-61.50000110.7I335 A443 I444 V445 L451I335-T447 HydrophobicContact CG2-CG2 3.65Å; A443-T447 VanDerWaalsContact O-CB 3.24Å; A443-T447 WeakPolarHBondContact O-CB 3.38Å; A443-T447 PolarHBondContact O-N 3.11Å; A443-T447 PolarHBondContact O-OG1 2.69Å; I444-T447 PolarHBondContact O-N 3.21Å; V445-T447 VanDerWaalsContact C-N 3.34Å; V445-T447 PolarHBondContact O-N 3.49Å; T447-L451 HydrophobicContact CG2-CD1 3.77Å; T447-L451 HydrophobicContact CG2-CG 4.37Å; T447-L451 WeakPolarHBondContact O-CB 3.41Å; T447-L451 VanDerWaalsContact O-CG 3.24Å; T447-L451 WeakPolarHBondContact O-CG 3.5Å; T447-L451 PolarHBondContact O-N 2.81Å
448I88.2Confident82.8Confident87 Ų8756.4 Ų56.445%0.44628%0.278SS..Hα-helixtrans-61.5-46.4176.8-66.8168000110.7I444 V445 R452 L516I444-I448 HydrophobicContact CG2-CD1 3.86Å; I444-I448 WeakPolarHBondContact O-CG1 3.01Å; I444-I448 PolarHBondContact O-N 3.07Å; V445-I448 PolarHBondContact O-N 3.32Å; I448-R452 VanDerWaalsContact O-CB 3.31Å; I448-R452 WeakPolarHBondContact O-CB 3.37Å; I448-R452 PolarHBondContact O-N 2.78Å; I448-L516 HydrophobicContact CG2-CD1 4.2Å; I448-L516 HydrophobicContact CG2-CD2 4.11Å
449Y84.7Confident81.4Confident70 Ų7056.3 Ų56.328%0.27528%0.278SS..Hα-helixtrans-60.1-48.7179.9177.2-99.5000112.3V445 L446 R452 K453 L516V445-Y449 WeakPolarHBondContact O-CB 3.45Å; V445-Y449 PolarHBondContact O-N 3.29Å; L446-Y449 PolarHBondContact O-N 3.19Å; Y449-R452 PolarHBondContact O-N 3.44Å; Y449-K453 HydrophobicContact CE1-CG 4.11Å; Y449-K453 HydrophobicContact CE2-CG 4.31Å; Y449-K453 WeakPolarHBondContact O-CG 2.82Å; Y449-K453 PolarHBondContact O-N 3.28Å; Y449-K453 WeakPolarHBondContact OH-CE 3.22Å; Y449-L516 HydrophobicContact CD2-CB 3.8Å
450V83.1Confident79.9Confident19 Ų1958.4 Ų58.412%0.11529%0.294CS..Hα-helixtrans-67.2-45.3-178.9175.30000111.1F331 I335 L446 R452 K453 M454F331-V450 HydrophobicContact CB-CG1 4.37Å; F331-V450 HydrophobicContact CD1-CG1 4.47Å; I335-V450 HydrophobicContact CD1-CB 4.2Å; I335-V450 HydrophobicContact CD1-CG1 3.85Å; I335-V450 HydrophobicContact CG1-CG1 4.46Å; L446-V450 HydrophobicContact CD1-CG2 4.13Å; L446-V450 HydrophobicContact CG-CG2 4.33Å; L446-V450 WeakPolarHBondContact O-CB 3.42Å; L446-V450 VanDerWaalsContact O-CG2 3.31Å; L446-V450 WeakPolarHBondContact O-CG2 3.28Å; L446-V450 PolarHBondContact O-N 3.42Å; V450-R452 VanDerWaalsContact C-N 3.26Å; V450-R452 PolarHBondContact O-N 3.42Å; V450-K453 PolarHBondContact O-N 3.4Å; V450-M454 HydrophobicContact CG1-CG 4.32Å; V450-M454 HydrophobicContact CG1-SD 3.93Å; V450-M454 WeakPolarHBondContact O-CG 3.34Å; V450-M454 PolarHBondContact O-N 2.9Å
451L84.6Confident78Confident76 Ų7658.9 Ų58.940%0.39830%0.3SS..Hα-helixtrans-58.8-40.4177.5-73.8172.7000111.6Y332 I335 T447 M454 W455Y332-L451 HydrophobicContact CE1-CD2 4.15Å; I335-L451 HydrophobicContact CD1-CD2 4.2Å; I335-L451 HydrophobicContact CD1-CG 4.26Å; T447-L451 HydrophobicContact CG2-CD1 3.77Å; T447-L451 HydrophobicContact CG2-CG 4.37Å; T447-L451 WeakPolarHBondContact O-CB 3.41Å; T447-L451 VanDerWaalsContact O-CG 3.24Å; T447-L451 WeakPolarHBondContact O-CG 3.5Å; T447-L451 PolarHBondContact O-N 2.81Å; L451-M454 PolarHBondContact O-N 3.14Å; L451-W455 WeakPolarHBondContact O-CB 3.26Å; L451-W455 PolarHBondContact O-N 3.31Å
452R84.1Confident75.9Confident57 Ų5761.7 Ų61.722%0.21531%0.308CS..Hα-helixtrans-67.1-42.6177.1-174.5173.3171108.4-0.3112.5I448 Y449 V450 M454 W455 K456 H509 I512 D513I448-R452 VanDerWaalsContact O-CB 3.31Å; I448-R452 WeakPolarHBondContact O-CB 3.37Å; I448-R452 PolarHBondContact O-N 2.78Å; Y449-R452 PolarHBondContact O-N 3.44Å; V450-R452 VanDerWaalsContact C-N 3.26Å; V450-R452 PolarHBondContact O-N 3.42Å; R452-M454 VanDerWaalsContact C-N 3.33Å; R452-M454 PolarHBondContact O-N 3.31Å; R452-W455 PolarHBondContact O-N 2.88Å; R452-K456 PolarHBondContact O-N 3.39Å; R452-K456 VanDerWaalsContact O-N 3.11Å; R452-H509 PolarHBondContact NH2-ND1 3Å; R452-H509 VanDerWaalsContact NH2-ND1 3.15Å; R452-H509 PolarHBondContact NH2-O 3.3Å; R452-I512 VanDerWaalsContact CZ-CG2 3.48Å; R452-D513 VanDerWaalsContact CD-OD1 3.29Å; R452-D513 WeakPolarHBondContact CD-OD1 3.14Å; R452-D513 IonicContact CZ-OD1 3.64Å; R452-D513 IonicContact NE-OD1 2.68Å; R452-D513 PolarHBondContact NE-OD1 2.93Å; R452-D513 IonicContact NH2-OD1 3.75Å
453K76.3Confident73.7Confident76 Ų7664.4 Ų64.433%0.3333%0.325SS..Hα-helixtrans-62.4-40175-74.5-62.9-172.8-165.70112Y449 V450 K456 V457 D513Y449-K453 HydrophobicContact CE1-CG 4.11Å; Y449-K453 HydrophobicContact CE2-CG 4.31Å; Y449-K453 WeakPolarHBondContact O-CG 2.82Å; Y449-K453 PolarHBondContact O-N 3.28Å; Y449-K453 WeakPolarHBondContact OH-CE 3.22Å; V450-K453 PolarHBondContact O-N 3.4Å; K453-K456 PolarHBondContact O-N 3.04Å; K453-V457 PolarHBondContact O-N 3.42Å; K453-D513 IonicContact NZ-OD2 2.77Å; K453-D513 PolarHBondContact NZ-OD2 2.91Å
454M76.3Confident71.5Confident20 Ų2068.8 Ų68.810%0.09935%0.348CS..Hα-helixtrans-66.1-45.2175.8-69.3178.967.300111.7I328 F331 Y332 V450 L451 R452 K456 V457 D458I328-M454 HydrophobicContact CB-CE 4.42Å; I328-M454 HydrophobicContact CG1-CE 4.48Å; I328-M454 HydrophobicContact CG2-CE 3.79Å; F331-M454 HydrophobicContact CB-CE 4.48Å; F331-M454 HydrophobicContact CB-SD 3.87Å; Y332-M454 HydrophobicContact CD2-CE 4.01Å; Y332-M454 HydrophobicContact CE1-CE 4.35Å; Y332-M454 HydrophobicContact CE2-CE 3.43Å; Y332-M454 VanDerWaalsContact CE2-CE 3.43Å; V450-M454 HydrophobicContact CG1-CG 4.32Å; V450-M454 HydrophobicContact CG1-SD 3.93Å; V450-M454 WeakPolarHBondContact O-CG 3.34Å; V450-M454 PolarHBondContact O-N 2.9Å; L451-M454 PolarHBondContact O-N 3.14Å; R452-M454 VanDerWaalsContact C-N 3.33Å; R452-M454 PolarHBondContact O-N 3.31Å; M454-K456 PolarHBondContact O-N 3.05Å; M454-V457 WeakPolarHBondContact O-CB 3.38Å; M454-V457 PolarHBondContact O-N 3.24Å; M454-D458 PolarHBondContact O-N 2.97Å
455W77.8Confident68.9Low141 Ų14169.5 Ų69.553%0.53435%0.352SS..Hα-helixtrans-58.8-36.3177.9-172.766.9000112.8L451 R452 D458 N459L451-W455 WeakPolarHBondContact O-CB 3.26Å; L451-W455 PolarHBondContact O-N 3.31Å; R452-W455 PolarHBondContact O-N 2.88Å; W455-D458 PolarHBondContact O-N 3.09Å; W455-N459 VanDerWaalsContact CH2-ND2 3.29Å; W455-N459 WeakPolarHBondContact CH2-ND2 3.25Å; W455-N459 WeakPolarHBondContact CZ2-ND2 3.09Å; W455-N459 PolarHBondContact O-N 2.87Å
456K69.5Low66.1Low118 Ų11873.9 Ų73.951%0.51337%0.371SS..Hα-helixtrans-62.8-43173.7-174.1177.2-179.6177.40112.1R452 K453 M454 N459 S460R452-K456 PolarHBondContact O-N 3.39Å; R452-K456 VanDerWaalsContact O-N 3.11Å; K453-K456 PolarHBondContact O-N 3.04Å; M454-K456 PolarHBondContact O-N 3.05Å; K456-N459 PolarHBondContact O-N 2.86Å; K456-S460 WeakPolarHBondContact O-CB 3.22Å; K456-S460 PolarHBondContact O-N 3.43Å; K456-S460 PolarHBondContact O-OG 2.93Å
457V66Low63.7Low91 Ų9177.2 Ų77.255%0.55239%0.389SS*.Hα-helixtrans-63.2-46.2178.9175.40000110.3K453 M454 N459 S460 T461K453-V457 PolarHBondContact O-N 3.42Å; M454-V457 WeakPolarHBondContact O-CB 3.38Å; M454-V457 PolarHBondContact O-N 3.24Å; V457-N459 PolarHBondContact O-N 3.06Å; V457-S460 PolarHBondContact O-N 3.36Å; V457-T461 WeakPolarHBondContact O-CG2 3.14Å; V457-T461 PolarHBondContact O-N 3.38Å
458D63.9Low61.2Low72 Ų7279.2 Ų79.239%0.38540%0.401SS..Hα-helixtrans-61-44.8179.1-66.5-22.9000111.5M454 W455 T461 Q462M454-D458 PolarHBondContact O-N 2.97Å; W455-D458 PolarHBondContact O-N 3.09Å; D458-T461 PolarHBondContact O-N 3.36Å; D458-T461 PolarHBondContact O-OG1 3.22Å; D458-Q462 PolarHBondContact O-N 3.44Å
459N60.6Low58.4Low51 Ų5180.6 Ų80.627%0.27341%0.409SS..Hα-helixtrans-66.7-40.9177.9-72.2-2.4000112.8W455 K456 V457 T461 Q462 T463W455-N459 VanDerWaalsContact CH2-ND2 3.29Å; W455-N459 WeakPolarHBondContact CH2-ND2 3.25Å; W455-N459 WeakPolarHBondContact CZ2-ND2 3.09Å; W455-N459 PolarHBondContact O-N 2.87Å; K456-N459 PolarHBondContact O-N 2.86Å; V457-N459 PolarHBondContact O-N 3.06Å; N459-T461 PolarHBondContact O-N 3.28Å; N459-Q462 PolarHBondContact O-N 2.85Å; N459-T463 PolarHBondContact O-N 2.87Å; N459-T463 PolarHBondContact O-OG1 3.46Å
460S55.5Low55.8Low54 Ų5481.6 Ų81.638%0.37842%0.418SS..Hα-helixtrans-63.6-30.7175.9-67.50000112.5K456 V457 Q462 T463 N464K456-S460 WeakPolarHBondContact O-CB 3.22Å; K456-S460 PolarHBondContact O-N 3.43Å; K456-S460 PolarHBondContact O-OG 2.93Å; V457-S460 PolarHBondContact O-N 3.36Å; S460-Q462 VanDerWaalsContact C-N 3.35Å; S460-T463 PolarHBondContact O-OG1 3.17Å; S460-T463 VanDerWaalsContact O-OG1 3.13Å; S460-N464 PolarHBondContact O-N 3.14Å; S460-N464 PolarHBondContact O-OD1 3.36Å
461T50Low53.3Low74 Ų7486.5 Ų86.545%0.45444%0.439SS..Hα-helixtrans-71.3-29.7172.259.90000112.9V457 D458 N459 N465V457-T461 WeakPolarHBondContact O-CG2 3.14Å; V457-T461 PolarHBondContact O-N 3.38Å; D458-T461 PolarHBondContact O-N 3.36Å; D458-T461 PolarHBondContact O-OG1 3.22Å; N459-T461 PolarHBondContact O-N 3.28Å; T461-N465 VanDerWaalsContact O-CG 3.25Å; T461-N465 PolarHBondContact O-N 3.48Å; T461-N465 PolarHBondContact O-ND2 2.95Å
462Q44.4Very low50.7Low116 Ų11686.9 Ų86.954%0.54245%0.445SS..Hα-helixtrans-76-43175.8-74.1-176-13.100112.3D458 N459 S460 N464 N465 E466D458-Q462 PolarHBondContact O-N 3.44Å; N459-Q462 PolarHBondContact O-N 2.85Å; S460-Q462 VanDerWaalsContact C-N 3.35Å; Q462-N464 VanDerWaalsContact C-N 3.33Å; Q462-N464 PolarHBondContact O-N 3.25Å; Q462-N465 PolarHBondContact O-N 3.23Å; Q462-E466 PolarHBondContact O-N 3.42Å
463T42.9Very low48.1Very low64 Ų6487.5 Ų87.539%0.39346%0.455SS..Hα-helixtrans-61-41.917854.90000111.5N459 S460 N465 E466 D467N459-T463 PolarHBondContact O-N 2.87Å; N459-T463 PolarHBondContact O-OG1 3.46Å; S460-T463 PolarHBondContact O-OG1 3.17Å; S460-T463 VanDerWaalsContact O-OG1 3.13Å; T463-N465 VanDerWaalsContact C-N 3.27Å; T463-N465 PolarHBondContact O-N 3.14Å; T463-E466 PolarHBondContact O-N 3.38Å; T463-E466 VanDerWaalsContact O-N 3.15Å; T463-D467 WeakPolarHBondContact O-CB 3.23Å; T463-D467 VanDerWaalsContact O-CG 3.28Å; T463-D467 PolarHBondContact O-N 2.91Å
464N43.2Very low45.9Very low98 Ų9887 Ų8752%0.52446%0.459SS..Hα-helixtrans-65.7-29.7176.3-67.66.7000112.6S460 Q462 T468S460-N464 PolarHBondContact O-N 3.14Å; S460-N464 PolarHBondContact O-OD1 3.36Å; Q462-N464 VanDerWaalsContact C-N 3.33Å; Q462-N464 PolarHBondContact O-N 3.25Å; N464-T468 WeakPolarHBondContact O-CB 3.47Å; N464-T468 WeakPolarHBondContact O-CG2 3.24Å; N464-T468 PolarHBondContact O-N 3.39Å; N464-T468 PolarHBondContact O-OG1 3.36Å
465N33.7Very low43.7Very low106 Ų10693.4 Ų93.457%0.56749%0.488SS*.Hα-helixtrans-76.9-30.6174.7-71.9-15.1000112.3T461 Q462 T463 T468 L469T461-N465 VanDerWaalsContact O-CG 3.25Å; T461-N465 PolarHBondContact O-N 3.48Å; T461-N465 PolarHBondContact O-ND2 2.95Å; Q462-N465 PolarHBondContact O-N 3.23Å; T463-N465 VanDerWaalsContact C-N 3.27Å; T463-N465 PolarHBondContact O-N 3.14Å; N465-T468 VanDerWaalsContact C-OG1 3.32Å; N465-T468 VanDerWaalsContact CA-OG1 3.27Å; N465-T468 WeakPolarHBondContact CA-OG1 3.49Å; N465-T468 PolarHBondContact O-OG1 2.89Å; N465-L469 WeakPolarHBondContact O-CB 3.38Å; N465-L469 PolarHBondContact O-N 2.85Å; N465-L469 VanDerWaalsContact O-N 3.16Å
466E31.4Very low41.5Very low120 Ų12094.2 Ų94.256%0.56150%0.498SS*.Hα-helixtrans-78.6-40.9175-73.9-178.7172.600111.6Q462 T463 T468 L469 I470Q462-E466 PolarHBondContact O-N 3.42Å; T463-E466 PolarHBondContact O-N 3.38Å; T463-E466 VanDerWaalsContact O-N 3.15Å; E466-T468 VanDerWaalsContact C-N 3.28Å; E466-T468 PolarHBondContact O-N 3.48Å; E466-L469 CarbonylContact O-C 3.59Å; E466-L469 WeakPolarHBondContact O-CA 3.45Å; E466-L469 WeakPolarHBondContact O-CB 3.38Å; E466-L469 PolarHBondContact O-N 2.89Å; E466-I470 WeakPolarHBondContact O-CB 3.49Å; E466-I470 WeakPolarHBondContact O-CG1 3.45Å; E466-I470 PolarHBondContact O-N 2.81Å
467D34.9Very low39.5Very low92 Ų9295.1 Ų95.149%0.49251%0.507SS..Hα-helixtrans-63.2-35.7174.5-69.3-29.3000111.2T463 I470 E471T463-D467 WeakPolarHBondContact O-CB 3.23Å; T463-D467 VanDerWaalsContact O-CG 3.28Å; T463-D467 PolarHBondContact O-N 2.91Å; D467-I470 PolarHBondContact O-N 2.93Å; D467-E471 PolarHBondContact O-N 2.91Å
468T34.5Very low37.7Very low62 Ų6297.3 Ų97.338%0.3852%0.515SS..Hα-helixtrans-71.3-31171.848.30000113.1N464 N465 E466 T472N464-T468 WeakPolarHBondContact O-CB 3.47Å; N464-T468 WeakPolarHBondContact O-CG2 3.24Å; N464-T468 PolarHBondContact O-N 3.39Å; N464-T468 PolarHBondContact O-OG1 3.36Å; N465-T468 VanDerWaalsContact C-OG1 3.32Å; N465-T468 VanDerWaalsContact CA-OG1 3.27Å; N465-T468 WeakPolarHBondContact CA-OG1 3.49Å; N465-T468 PolarHBondContact O-OG1 2.89Å; E466-T468 VanDerWaalsContact C-N 3.28Å; E466-T468 PolarHBondContact O-N 3.48Å; T468-T472 PolarHBondContact O-N 3.46Å; T468-T472 PolarHBondContact O-OG1 3Å
469L30Very low36Very low115 Ų115102.8 Ų102.860%0.60254%0.538SS*.Hα-helixtrans-71.7-35170.8-154.882.8000111.3N465 E466 T472 T473N465-L469 WeakPolarHBondContact O-CB 3.38Å; N465-L469 PolarHBondContact O-N 2.85Å; N465-L469 VanDerWaalsContact O-N 3.16Å; E466-L469 CarbonylContact O-C 3.59Å; E466-L469 WeakPolarHBondContact O-CA 3.45Å; E466-L469 WeakPolarHBondContact O-CB 3.38Å; E466-L469 PolarHBondContact O-N 2.89Å; L469-T472 WeakPolarHBondContact CA-OG1 3.43Å; L469-T472 PolarHBondContact O-N 2.84Å; L469-T472 PolarHBondContact O-OG1 3.37Å; L469-T473 WeakPolarHBondContact O-CG2 3.36Å; L469-T473 PolarHBondContact O-N 2.99Å; L469-T473 PolarHBondContact O-OG1 2.66Å
470I29.9Very low34.4Very low91 Ų91102.8 Ų102.847%0.46755%0.55SS..Hα-helixtrans-71.9-45.5178.7-67.7162.5000109.7E466 D467 T472 T473 T474E466-I470 WeakPolarHBondContact O-CB 3.49Å; E466-I470 WeakPolarHBondContact O-CG1 3.45Å; E466-I470 PolarHBondContact O-N 2.81Å; D467-I470 PolarHBondContact O-N 2.93Å; I470-T472 VanDerWaalsContact C-N 3.27Å; I470-T472 PolarHBondContact O-N 3.16Å; I470-T473 WeakPolarHBondContact CA-OG1 3.42Å; I470-T473 CarbonylContact O-C 3.44Å; I470-T473 PolarHBondContact O-N 3.36Å; I470-T473 PolarHBondContact O-OG1 3.31Å; I470-T474 PolarHBondContact O-N 3.46Å; I470-T474 PolarHBondContact O-OG1 3.4Å
471E30.4Very low33.1Very low122 Ų122108.7 Ų108.757%0.5758%0.576SS**Hα-helixtrans-56.4-41.5173.2-84.9-174157.900111.9D467 T473 T474 E475D467-E471 PolarHBondContact O-N 2.91Å; E471-T473 PolarHBondContact O-N 3.17Å; E471-T474 PolarHBondContact O-N 2.71Å; E471-E475 PolarHBondContact O-N 3.2Å
472T30.1Very low31.9Very low84 Ų84112.3 Ų112.352%0.51559%0.593SS.*Hα-helixtrans-68.6-31.9176.143.50000113.5T468 L469 I470T468-T472 PolarHBondContact O-N 3.46Å; T468-T472 PolarHBondContact O-OG1 3Å; L469-T472 WeakPolarHBondContact CA-OG1 3.43Å; L469-T472 PolarHBondContact O-N 2.84Å; L469-T472 PolarHBondContact O-OG1 3.37Å; I470-T472 VanDerWaalsContact C-N 3.27Å; I470-T472 PolarHBondContact O-N 3.16Å
473T28Very low31.1Very low71 Ų71113.7 Ų113.744%0.43660%0.604SS.*Hα-helixtrans-78.7-22.5172.5580000114L469 I470 E471 E476L469-T473 WeakPolarHBondContact O-CG2 3.36Å; L469-T473 PolarHBondContact O-N 2.99Å; L469-T473 PolarHBondContact O-OG1 2.66Å; I470-T473 WeakPolarHBondContact CA-OG1 3.42Å; I470-T473 CarbonylContact O-C 3.44Å; I470-T473 PolarHBondContact O-N 3.36Å; I470-T473 PolarHBondContact O-OG1 3.31Å; E471-T473 PolarHBondContact O-N 3.17Å; T473-E476 PolarHBondContact O-N 3.08Å
474T31Very low30.3Very low66 Ų66117.1 Ų117.141%0.40562%0.62SS.*Hα-helixtrans-77.9-27.7179.5-32.20000111.4I470 E471 E476 I477I470-T474 PolarHBondContact O-N 3.46Å; I470-T474 PolarHBondContact O-OG1 3.4Å; E471-T474 PolarHBondContact O-N 2.71Å; T474-E476 PolarHBondContact O-N 2.82Å; T474-I477 PolarHBondContact O-N 2.83Å
475E31.1Very low29.5Very low153 Ų153119 Ų11972%0.71563%0.63SS**Hα-helixtrans-63.7-25.4169.9-73.5-170.1161.500112.9E471E471-E475 PolarHBondContact O-N 3.2Å
476E29.9Very low29.1Very low158 Ų158123.4 Ų123.474%0.73864%0.644SS**Hα-helixtrans-78.1-20.5176.6-72.4-169.7158.700113.7T473 T474T473-E476 PolarHBondContact O-N 3.08Å; T474-E476 PolarHBondContact O-N 2.82Å
477I28.4Very low28.8Very low138 Ų138126.6 Ų126.671%0.70866%0.659SS**Hα-helixtrans-90.7-19.1-179.4-63.9179000112.3T474 Q479T474-I477 PolarHBondContact O-N 2.83Å; I477-Q479 VanDerWaalsContact C-N 3.28Å; I477-Q479 PolarHBondContact O-N 2.98Å
478I28.5Very low28.4Very low137 Ų137129.4 Ų129.470%0.70367%0.672SS**THydrogen-bonded Turntrans-81.5-4.4-177.1-63.2174000112.8G480I478-G480 PolarHBondContact O-N 3.3Å
479Q27.1Very low28Very low187 Ų187133.4 Ų133.487%0.87469%0.691SS**THydrogen-bonded Turntrans-77.49.3177.1-79.6-166.4-7.700116.2I477I477-Q479 VanDerWaalsContact C-N 3.28Å; I477-Q479 PolarHBondContact O-N 2.98Å
480G28.2Very low27.8Very low51 Ų51137.1 Ų137.153%0.52670%0.702SS.*  trans-15296.7172.800000111.2I478I478-G480 PolarHBondContact O-N 3.3Å
481L26.9Very low27.7Very low178 Ų178137.3 Ų137.393%0.93271%0.708SS**  trans-173.887.3147.3-95.1152.7000108.3
482D25.2Very low27.6Very low149 Ų149139.2 Ų139.280%0.79771%0.714SS**  trans-62.1150.8158.9-86.8-34.6000111
483D28.9Very low27.5Very low145 Ų145139.3 Ų139.378%0.77572%0.724SS**SBendtrans55.3119.1154.3-71.2-24000121
484D25.6Very low27.6Very low136 Ų136143.4 Ų143.473%0.72773%0.732SS**  trans71106.5144.9-83.2-37.6000121.1
485N25.4Very low27.7Very low138 Ų138144.3 Ų144.374%0.73874%0.735SS**  43.593.5125.2-74.7-50.6000118.4
486K25.1Very low27.7Very low198 Ų198142.7 Ų142.786%0.86173%0.731SS**  151141.5122.7-84.2163.6179.6171.20111.5
487Q25.5Very low27.9Very low187 Ų187139.3 Ų139.387%0.87472%0.721SS**  trans7885.8165.6-66.8178.4-18.700118.3
488I27.4Very low28Very low152 Ų152136.9 Ų136.978%0.77971%0.708SS**  trans-132.584.3140.6-53.4178.3000108.2
489L25.8Very low28.4Very low145 Ų145134.5 Ų134.576%0.75970%0.696SS**  trans-107.425.3167.3-170.262000111.2
490F25.6Very low28.7Very low194 Ų194135.1 Ų135.185%0.85169%0.691SS**SBendtrans-138.565.8179.4-76.9-72.7000113.1
491T26.9Very low29.4Very low94 Ų94136.5 Ų136.558%0.57769%0.689SS**  trans-149.4-5.2158.240.20000115.9A493 Y494T491-A493 PolarHBondContact O-N 2.8Å; T491-A493 VanDerWaalsContact O-N 3.08Å; T491-Y494 PolarHBondContact O-N 3.33Å
492F28.3Very low30.3Very low163 Ų163131.4 Ų131.472%0.71566%0.662SS**Hα-helixtrans-64.6-16.2179.8-80.2-73.5000115.4Y494F492-Y494 PolarHBondContact O-N 2.77Å
493A27.7Very low31.3Very low86 Ų86128.7 Ų128.771%0.71165%0.648SS**Hα-helixtrans-76.8-17.7178.400000114.3T491T491-A493 PolarHBondContact O-N 2.8Å; T491-A493 VanDerWaalsContact O-N 3.08Å
494Y30.1Very low32.2Very low156 Ų156127 Ų12761%0.61264%0.638SS**Hα-helixtrans-80.4-37.7178.5-170.7-107.2000111.6T491 F492 D496 T497T491-Y494 PolarHBondContact O-N 3.33Å; F492-Y494 PolarHBondContact O-N 2.77Å; Y494-D496 PolarHBondContact O-N 3.42Å; Y494-T497 PolarHBondContact O-OG1 3.24Å; Y494-T497 VanDerWaalsContact O-OG1 3.05Å
495N33.2Very low33.7Very low86 Ų86122.9 Ų122.946%0.4662%0.62SS.*Hα-helixtrans-69.3-32.5-176.6-72-1.5000113.8T497 N499N495-T497 PolarHBondContact O-N 3.08Å; N495-N499 VanDerWaalsContact O-CB 3.23Å; N495-N499 WeakPolarHBondContact O-CB 3.23Å; N495-N499 VanDerWaalsContact O-CG 3.26Å; N495-N499 PolarHBondContact O-N 3.35Å
496D31.9Very low35.3Very low119 Ų119121.1 Ų121.164%0.63661%0.607SS**Hα-helixtrans-68.3-32.8-178.8-92-11.8000113.3Y494 R500Y494-D496 PolarHBondContact O-N 3.42Å; D496-R500 WeakPolarHBondContact O-CB 3.33Å; D496-R500 PolarHBondContact O-N 3.3Å
497T33.8Very low37Very low86 Ų86115.3 Ų115.353%0.52859%0.589SS.*Hα-helixtrans-73-43.6178.558.30000111.6Y494 N495 R500 T501Y494-T497 PolarHBondContact O-OG1 3.24Å; Y494-T497 VanDerWaalsContact O-OG1 3.05Å; N495-T497 PolarHBondContact O-N 3.08Å; T497-R500 PolarHBondContact O-N 3.05Å; T497-T501 PolarHBondContact O-N 3.28Å; T497-T501 PolarHBondContact O-OG1 3.04Å
498M31.7Very low39Very low88 Ų88110.2 Ų110.243%0.43357%0.567SS.*Hα-helixtrans-66.3-44.9174.5-79-67.4160.900111.8R500 T501 I502M498-R500 VanDerWaalsContact C-N 3.3Å; M498-R500 PolarHBondContact O-N 2.96Å; M498-T501 WeakPolarHBondContact CA-OG1 3.45Å; M498-T501 PolarHBondContact O-N 3.19Å; M498-T501 PolarHBondContact O-OG1 3.5Å; M498-I502 HydrophobicContact CB-CD1 4.36Å; M498-I502 VanDerWaalsContact O-CB 3.27Å; M498-I502 WeakPolarHBondContact O-CB 3.32Å; M498-I502 WeakPolarHBondContact O-CD1 3.47Å; M498-I502 WeakPolarHBondContact O-CG1 3.45Å; M498-I502 PolarHBondContact O-N 3.05Å
499N36.9Very low41Very low86 Ų86107 Ų10746%0.4655%0.549SS..Hα-helixtrans-62.3-37.5176.4-76.4-6.7000111.7N495 N503N495-N499 VanDerWaalsContact O-CB 3.23Å; N495-N499 WeakPolarHBondContact O-CB 3.23Å; N495-N499 VanDerWaalsContact O-CG 3.26Å; N495-N499 PolarHBondContact O-N 3.35Å; N499-N503 WeakPolarHBondContact O-CB 3.34Å; N499-N503 PolarHBondContact O-N 3.35Å; N499-N503 PolarHBondContact O-ND2 3.14Å; N499-N503 PolarHBondContact O-OD1 2.96Å
500R32.8Very low43.1Very low200 Ų200105.3 Ų105.376%0.75554%0.539SS*.Hα-helixtrans-71.3-37177-164.5-179.6-82.3178.7-4.2112.2D496 T497 M498 L504D496-R500 WeakPolarHBondContact O-CB 3.33Å; D496-R500 PolarHBondContact O-N 3.3Å; T497-R500 PolarHBondContact O-N 3.05Å; M498-R500 VanDerWaalsContact C-N 3.3Å; M498-R500 PolarHBondContact O-N 2.96Å; R500-L504 VanDerWaalsContact O-CB 3.28Å; R500-L504 WeakPolarHBondContact O-CB 3.16Å; R500-L504 PolarHBondContact O-N 3.22Å
501T41.8Very low45.5Very low81 Ų8199.8 Ų99.850%0.49752%0.518SS..Hα-helixtrans-72.4-38.5174.748.30000112.8T497 M498 L504 S505T497-T501 PolarHBondContact O-N 3.28Å; T497-T501 PolarHBondContact O-OG1 3.04Å; M498-T501 WeakPolarHBondContact CA-OG1 3.45Å; M498-T501 PolarHBondContact O-N 3.19Å; M498-T501 PolarHBondContact O-OG1 3.5Å; T501-L504 PolarHBondContact O-N 2.87Å; T501-S505 VanDerWaalsContact O-CB 3.26Å; T501-S505 WeakPolarHBondContact O-CB 2.87Å; T501-S505 PolarHBondContact O-N 3.32Å; T501-S505 PolarHBondContact O-OG 3.26Å
502I46.6Very low47.9Very low70 Ų7098.9 Ų98.936%0.35951%0.509SS..Hα-helixtrans-64-51174.7-68.7164.6000108.6M498 L504 S505 E506M498-I502 HydrophobicContact CB-CD1 4.36Å; M498-I502 VanDerWaalsContact O-CB 3.27Å; M498-I502 WeakPolarHBondContact O-CB 3.32Å; M498-I502 WeakPolarHBondContact O-CD1 3.47Å; M498-I502 WeakPolarHBondContact O-CG1 3.45Å; M498-I502 PolarHBondContact O-N 3.05Å; I502-L504 PolarHBondContact O-N 3.22Å; I502-S505 PolarHBondContact O-N 3.5Å; I502-S505 VanDerWaalsContact O-N 3.13Å; I502-S505 PolarHBondContact O-OG 3.1Å; I502-E506 HydrophobicContact CG2-CG 4.2Å; I502-E506 WeakPolarHBondContact CG2-OE1 3.49Å; I502-E506 WeakPolarHBondContact O-CB 3.32Å; I502-E506 WeakPolarHBondContact O-CG 3.42Å; I502-E506 PolarHBondContact O-N 3.02Å
503N46.1Very low50.2Low93 Ų9392.1 Ų92.150%0.49748%0.48SS..Hα-helixtrans-60.7-40177.4-69.8-10.1000112.8N499 T507N499-N503 WeakPolarHBondContact O-CB 3.34Å; N499-N503 PolarHBondContact O-N 3.35Å; N499-N503 PolarHBondContact O-ND2 3.14Å; N499-N503 PolarHBondContact O-OD1 2.96Å; N503-T507 WeakPolarHBondContact O-CB 3.15Å; N503-T507 WeakPolarHBondContact O-CG2 3.24Å; N503-T507 PolarHBondContact O-N 3.25Å; N503-T507 PolarHBondContact O-OG1 3.06Å
504L47.6Very low52.7Low110 Ų11089.9 Ų89.958%0.57646%0.457SS*.Hα-helixtrans-69.3-37.9176.5-161.884.4000111.7R500 T501 I502 T507 N508R500-L504 VanDerWaalsContact O-CB 3.28Å; R500-L504 WeakPolarHBondContact O-CB 3.16Å; R500-L504 PolarHBondContact O-N 3.22Å; T501-L504 PolarHBondContact O-N 2.87Å; I502-L504 PolarHBondContact O-N 3.22Å; L504-T507 WeakPolarHBondContact CA-OG1 3.36Å; L504-T507 PolarHBondContact O-OG1 3.28Å; L504-N508 WeakPolarHBondContact O-CB 3.38Å; L504-N508 PolarHBondContact O-N 3.42Å; L504-N508 VanDerWaalsContact O-N 3.07Å; L504-N508 PolarHBondContact O-ND2 3.46Å
505S56.6Low55.3Low48 Ų4889.3 Ų89.334%0.33645%0.454SS..Hα-helixtrans-68.7-46.2176.676.80000111.3T501 I502 N508 H509T501-S505 VanDerWaalsContact O-CB 3.26Å; T501-S505 WeakPolarHBondContact O-CB 2.87Å; T501-S505 PolarHBondContact O-N 3.32Å; T501-S505 PolarHBondContact O-OG 3.26Å; I502-S505 PolarHBondContact O-N 3.5Å; I502-S505 VanDerWaalsContact O-N 3.13Å; I502-S505 PolarHBondContact O-OG 3.1Å; S505-N508 PolarHBondContact O-N 3.23Å; S505-H509 WeakPolarHBondContact O-CB 3.04Å; S505-H509 PolarHBondContact O-CD2 3.4Å; S505-H509 PolarHBondContact O-N 3.11Å
506E58.9Low57.7Low101 Ų10186.7 Ų86.747%0.47244%0.44SS..Hα-helixtrans-61.8-45.9177.9-75.8-178.5177.400111.4I502 N508 H509 I510I502-E506 HydrophobicContact CG2-CG 4.2Å; I502-E506 WeakPolarHBondContact CG2-OE1 3.49Å; I502-E506 WeakPolarHBondContact O-CB 3.32Å; I502-E506 WeakPolarHBondContact O-CG 3.42Å; I502-E506 PolarHBondContact O-N 3.02Å; E506-N508 PolarHBondContact O-N 2.83Å; E506-H509 WeakPolarHBondContact O-CB 3Å; E506-H509 PolarHBondContact O-N 3.12Å; E506-H509 VanDerWaalsContact O-N 3.13Å; E506-I510 WeakPolarHBondContact O-CB 2.87Å; E506-I510 WeakPolarHBondContact O-CD1 3.22Å; E506-I510 WeakPolarHBondContact O-CG1 3.18Å; E506-I510 PolarHBondContact O-N 2.94Å
507T61.5Low60.1Low77 Ų7781.9 Ų81.947%0.47242%0.419SS..Hα-helixtrans-62.2-43.9176500000112.1N503 L504 H509 I510 L511N503-T507 WeakPolarHBondContact O-CB 3.15Å; N503-T507 WeakPolarHBondContact O-CG2 3.24Å; N503-T507 PolarHBondContact O-N 3.25Å; N503-T507 PolarHBondContact O-OG1 3.06Å; L504-T507 WeakPolarHBondContact CA-OG1 3.36Å; L504-T507 PolarHBondContact O-OG1 3.28Å; T507-H509 VanDerWaalsContact C-N 3.3Å; T507-H509 PolarHBondContact O-N 3.36Å; T507-I510 PolarHBondContact O-N 3.31Å; T507-L511 VanDerWaalsContact O-CB 3.27Å; T507-L511 WeakPolarHBondContact O-CB 2.99Å; T507-L511 PolarHBondContact O-N 3.29Å
508N67.7Low62.6Low80 Ų8080 Ų8043%0.42840%0.403SS..Hα-helixtrans-62.1-38.8173-74.8-21.8000111.8L504 S505 E506 L511 I512L504-N508 WeakPolarHBondContact O-CB 3.38Å; L504-N508 PolarHBondContact O-N 3.42Å; L504-N508 VanDerWaalsContact O-N 3.07Å; L504-N508 PolarHBondContact O-ND2 3.46Å; S505-N508 PolarHBondContact O-N 3.23Å; E506-N508 PolarHBondContact O-N 2.83Å; N508-L511 PolarHBondContact O-N 3.34Å; N508-I512 WeakPolarHBondContact O-CD1 3.17Å; N508-I512 VanDerWaalsContact O-CG1 3.27Å; N508-I512 WeakPolarHBondContact O-CG1 2.99Å; N508-I512 PolarHBondContact O-N 3.08Å; N508-I512 VanDerWaalsContact O-N 3.09Å
509H69.3Low65.2Low85 Ų8577.2 Ų77.239%0.39440%0.395SS..Hα-helixtrans-64.9-44.2178.7-84.3-68.6000112.2R452 S505 E506 T507 D513R452-H509 PolarHBondContact NH2-ND1 3Å; R452-H509 VanDerWaalsContact NH2-ND1 3.15Å; R452-H509 PolarHBondContact NH2-O 3.3Å; S505-H509 WeakPolarHBondContact O-CB 3.04Å; S505-H509 PolarHBondContact O-CD2 3.4Å; S505-H509 PolarHBondContact O-N 3.11Å; E506-H509 WeakPolarHBondContact O-CB 3Å; E506-H509 PolarHBondContact O-N 3.12Å; E506-H509 VanDerWaalsContact O-N 3.13Å; T507-H509 VanDerWaalsContact C-N 3.3Å; T507-H509 PolarHBondContact O-N 3.36Å; H509-D513 PolarHBondContact O-N 2.8Å
510I71.1Confident67.6Low108 Ų10874.1 Ų74.155%0.55438%0.379SS*.Hα-helixtrans-64.4-43.9176.3-66.4161000110.5E506 T507 I512 D513 D514E506-I510 WeakPolarHBondContact O-CB 2.87Å; E506-I510 WeakPolarHBondContact O-CD1 3.22Å; E506-I510 WeakPolarHBondContact O-CG1 3.18Å; E506-I510 PolarHBondContact O-N 2.94Å; T507-I510 PolarHBondContact O-N 3.31Å; I510-I512 PolarHBondContact O-N 2.95Å; I510-D513 PolarHBondContact O-N 2.83Å; I510-D514 PolarHBondContact O-N 2.87Å; I510-D514 VanDerWaalsContact O-N 3.09Å
511L74.2Confident70.2Confident79 Ų7966.3 Ų66.341%0.41435%0.351SS..Hα-helixtrans-62.6-43.7-179.2-175.769.1000112.4T507 N508 D513 D514 Y515T507-L511 VanDerWaalsContact O-CB 3.27Å; T507-L511 WeakPolarHBondContact O-CB 2.99Å; T507-L511 PolarHBondContact O-N 3.29Å; N508-L511 PolarHBondContact O-N 3.34Å; L511-D513 VanDerWaalsContact C-N 3.34Å; L511-D514 WeakPolarHBondContact O-CB 3.44Å; L511-D514 PolarHBondContact O-N 3.22Å; L511-Y515 HydrophobicContact CD1-CD2 4.12Å; L511-Y515 HydrophobicContact CD1-CE2 3.47Å; L511-Y515 VanDerWaalsContact CD1-CE2 3.47Å; L511-Y515 HydrophobicContact CD2-CE2 3.94Å; L511-Y515 HydrophobicContact CG-CD2 3.84Å; L511-Y515 HydrophobicContact CG-CE2 3.45Å; L511-Y515 VanDerWaalsContact CG-CE2 3.45Å; L511-Y515 WeakPolarHBondContact O-CD2 3.38Å; L511-Y515 PolarHBondContact O-N 2.81Å
512I78.4Confident72.5Confident75 Ų7566.9 Ų66.939%0.38535%0.351SS..Hα-helixtrans-65.4-39.6178.3-66.7162.8000111.1R452 N508 I510 D514 Y515 L516R452-I512 VanDerWaalsContact CZ-CG2 3.48Å; N508-I512 WeakPolarHBondContact O-CD1 3.17Å; N508-I512 VanDerWaalsContact O-CG1 3.27Å; N508-I512 WeakPolarHBondContact O-CG1 2.99Å; N508-I512 PolarHBondContact O-N 3.08Å; N508-I512 VanDerWaalsContact O-N 3.09Å; I510-I512 PolarHBondContact O-N 2.95Å; I512-D514 VanDerWaalsContact C-N 3.3Å; I512-D514 PolarHBondContact O-N 2.8Å; I512-Y515 PolarHBondContact O-N 3.41Å; I512-L516 HydrophobicContact CG2-CD1 3.86Å; I512-L516 HydrophobicContact CG2-CG 4.25Å; I512-L516 WeakPolarHBondContact O-CB 3.36Å; I512-L516 VanDerWaalsContact O-CG 3.31Å; I512-L516 WeakPolarHBondContact O-CG 3.47Å; I512-L516 PolarHBondContact O-N 2.89Å
513D76.8Confident74.5Confident20 Ų2064.6 Ų64.611%0.10734%0.341CS..Hα-helixtrans-61.3-40.2176.9-84.513.6000111.7R452 K453 H509 I510 L511 G517R452-D513 VanDerWaalsContact CD-OD1 3.29Å; R452-D513 WeakPolarHBondContact CD-OD1 3.14Å; R452-D513 IonicContact CZ-OD1 3.64Å; R452-D513 IonicContact NE-OD1 2.68Å; R452-D513 PolarHBondContact NE-OD1 2.93Å; R452-D513 IonicContact NH2-OD1 3.75Å; K453-D513 IonicContact NZ-OD2 2.77Å; K453-D513 PolarHBondContact NZ-OD2 2.91Å; H509-D513 PolarHBondContact O-N 2.8Å; I510-D513 PolarHBondContact O-N 2.83Å; L511-D513 VanDerWaalsContact C-N 3.34Å; D513-G517 PolarHBondContact O-N 3.02Å
514D79.1Confident76.5Confident40 Ų4063.8 Ų63.821%0.21434%0.337CS..Hα-helixtrans-62.8-50.8175.4-177.756.9000111.5L93 I510 L511 I512 L516 G517 K518L93-D514 WeakPolarHBondContact CD2-OD1 3.16Å; I510-D514 PolarHBondContact O-N 2.87Å; I510-D514 VanDerWaalsContact O-N 3.09Å; L511-D514 WeakPolarHBondContact O-CB 3.44Å; L511-D514 PolarHBondContact O-N 3.22Å; I512-D514 VanDerWaalsContact C-N 3.3Å; I512-D514 PolarHBondContact O-N 2.8Å; D514-L516 VanDerWaalsContact C-N 3.33Å; D514-L516 PolarHBondContact O-N 3.36Å; D514-G517 PolarHBondContact O-N 3.06Å; D514-G517 VanDerWaalsContact O-N 3.16Å; D514-K518 WeakPolarHBondContact O-CG 3.47Å; D514-K518 PolarHBondContact O-N 3.42Å; D514-K518 VanDerWaalsContact OD1-CE 3.29Å; D514-K518 WeakPolarHBondContact OD1-CE 3.28Å; D514-K518 IonicContact OD1-NZ 3.95Å; D514-K518 PolarHBondContact OD1-NZ 2.93Å; D514-K518 WeakPolarHBondContact OD2-CE 3.47Å; D514-K518 IonicContact OD2-NZ 2.73Å; D514-K518 PolarHBondContact OD2-NZ 3.33Å
515Y85.1Confident78.5Confident144 Ų14459.9 Ų59.957%0.56532%0.316SS*.Hα-helixtrans-61.8-38.9177.5-76-59.6000113.1L511 I512 K518 A519L511-Y515 HydrophobicContact CD1-CD2 4.12Å; L511-Y515 HydrophobicContact CD1-CE2 3.47Å; L511-Y515 VanDerWaalsContact CD1-CE2 3.47Å; L511-Y515 HydrophobicContact CD2-CE2 3.94Å; L511-Y515 HydrophobicContact CG-CD2 3.84Å; L511-Y515 HydrophobicContact CG-CE2 3.45Å; L511-Y515 VanDerWaalsContact CG-CE2 3.45Å; L511-Y515 WeakPolarHBondContact O-CD2 3.38Å; L511-Y515 PolarHBondContact O-N 2.81Å; I512-Y515 PolarHBondContact O-N 3.41Å; Y515-K518 PolarHBondContact O-N 2.98Å; Y515-A519 WeakPolarHBondContact O-CB 3.33Å; Y515-A519 PolarHBondContact O-N 2.79Å
516L84.1Confident80.1Confident30 Ų3060.6 Ų60.616%0.15732%0.318CS..Hα-helixtrans-65.4-40.9175.5-73.9171.3000111.4I448 Y449 I512 D514 A519 V520I448-L516 HydrophobicContact CG2-CD1 4.2Å; I448-L516 HydrophobicContact CG2-CD2 4.11Å; Y449-L516 HydrophobicContact CD2-CB 3.8Å; I512-L516 HydrophobicContact CG2-CD1 3.86Å; I512-L516 HydrophobicContact CG2-CG 4.25Å; I512-L516 WeakPolarHBondContact O-CB 3.36Å; I512-L516 VanDerWaalsContact O-CG 3.31Å; I512-L516 WeakPolarHBondContact O-CG 3.47Å; I512-L516 PolarHBondContact O-N 2.89Å; D514-L516 VanDerWaalsContact C-N 3.33Å; D514-L516 PolarHBondContact O-N 3.36Å; L516-A519 PolarHBondContact O-N 2.72Å; L516-V520 WeakPolarHBondContact O-CG2 3.36Å; L516-V520 PolarHBondContact O-N 3.26Å
517G81.7Confident81.5Confident19 Ų1956 Ų5620%0.19630%0.297CS..Hα-helixtrans-57.3-48.5173.900000112.1D513 D514 A519 V520 I521D513-G517 PolarHBondContact O-N 3.02Å; D514-G517 PolarHBondContact O-N 3.06Å; D514-G517 VanDerWaalsContact O-N 3.16Å; G517-A519 VanDerWaalsContact C-N 3.33Å; G517-A519 PolarHBondContact O-N 3.48Å; G517-V520 WeakPolarHBondContact O-CB 3.48Å; G517-V520 PolarHBondContact O-N 3.43Å; G517-I521 PolarHBondContact O-N 2.84Å; G517-I521 VanDerWaalsContact O-N 3.16Å
518K86.2Confident82.8Confident45 Ų4553 Ų5320%0.19628%0.278CS..Hα-helixtrans-61.9-39.7176.2-68.3171.1-174.7-179.50112.6D96 F98 D514 Y515 V520 I521 L522D96-K518 IonicContact OD1-NZ 3.5Å; D96-K518 WeakPolarHBondContact OD2-CE 3.45Å; D96-K518 IonicContact OD2-NZ 2.73Å; D96-K518 PolarHBondContact OD2-NZ 3.45Å; F98-K518 HydrophobicContact CD1-CB 4.46Å; F98-K518 HydrophobicContact CD1-CD 4.47Å; F98-K518 HydrophobicContact CD1-CG 4.02Å; F98-K518 HydrophobicContact CE1-CB 4.18Å; F98-K518 HydrophobicContact CE1-CG 4.23Å; D514-K518 WeakPolarHBondContact O-CG 3.47Å; D514-K518 PolarHBondContact O-N 3.42Å; D514-K518 VanDerWaalsContact OD1-CE 3.29Å; D514-K518 WeakPolarHBondContact OD1-CE 3.28Å; D514-K518 IonicContact OD1-NZ 3.95Å; D514-K518 PolarHBondContact OD1-NZ 2.93Å; D514-K518 WeakPolarHBondContact OD2-CE 3.47Å; D514-K518 IonicContact OD2-NZ 2.73Å; D514-K518 PolarHBondContact OD2-NZ 3.33Å; Y515-K518 PolarHBondContact O-N 2.98Å; K518-V520 VanDerWaalsContact C-N 3.33Å; K518-V520 PolarHBondContact O-N 3.45Å; K518-I521 PolarHBondContact O-N 3.28Å; K518-L522 WeakPolarHBondContact O-CB 3.35Å; K518-L522 PolarHBondContact O-N 3.47Å
519A87.6Confident83.7Confident31 Ų3152 Ų5226%0.25627%0.274SS..Hα-helixtrans-63.3-38.1176.700000112V445 Y515 L516 G517 L522 C523V445-A519 HydrophobicContact CG1-CB 3.79Å; Y515-A519 WeakPolarHBondContact O-CB 3.33Å; Y515-A519 PolarHBondContact O-N 2.79Å; L516-A519 PolarHBondContact O-N 2.72Å; G517-A519 VanDerWaalsContact C-N 3.33Å; G517-A519 PolarHBondContact O-N 3.48Å; A519-L522 PolarHBondContact O-N 3.47Å; A519-C523 WeakPolarHBondContact O-CB 3.4Å; A519-C523 PolarHBondContact O-N 3.05Å; A519-C523 PolarHBondContact O-SG 3.13Å
520V87Confident84.6Confident21 Ų2148 Ų4813%0.12726%0.256CS..Hα-helixtrans-62.3-45.9173.7173.10000110.8V445 L446 L516 G517 K518 L522 C523 N524V445-V520 HydrophobicContact CG1-CG2 3.74Å; L446-V520 HydrophobicContact CD1-CG1 4.34Å; L446-V520 HydrophobicContact CD1-CG2 4.33Å; L516-V520 WeakPolarHBondContact O-CG2 3.36Å; L516-V520 PolarHBondContact O-N 3.26Å; G517-V520 WeakPolarHBondContact O-CB 3.48Å; G517-V520 PolarHBondContact O-N 3.43Å; K518-V520 VanDerWaalsContact C-N 3.33Å; K518-V520 PolarHBondContact O-N 3.45Å; V520-L522 VanDerWaalsContact C-N 3.34Å; V520-L522 PolarHBondContact O-N 3.03Å; V520-C523 PolarHBondContact O-N 2.56Å; V520-N524 PolarHBondContact O-N 3.3Å; V520-N524 PolarHBondContact O-ND2 3.09Å
521I86.5Confident85.4Confident35 Ų3543 Ų4318%0.17923%0.231CC..Hα-helixtrans-60-46177.7-65.6169.2000110.5F98 D99 V102 G517 K518 C523 N524 L525F98-I521 HydrophobicContact CE1-CB 4.45Å; F98-I521 HydrophobicContact CE1-CG2 4.16Å; D99-I521 WeakPolarHBondContact OD1-CD1 3.42Å; V102-I521 HydrophobicContact CB-CG2 4.46Å; V102-I521 HydrophobicContact CG1-CG2 3.79Å; G517-I521 PolarHBondContact O-N 2.84Å; G517-I521 VanDerWaalsContact O-N 3.16Å; K518-I521 PolarHBondContact O-N 3.28Å; I521-C523 PolarHBondContact O-N 2.65Å; I521-N524 PolarHBondContact O-N 3.48Å; I521-L525 PolarHBondContact O-N 3.47Å
522L89.4Confident86Confident93 Ų9341.5 Ų41.549%0.48722%0.221SC..Hα-helixtrans-62.4-42.4177.4-173.967.9000112.1K518 A519 V520 L525 V526K518-L522 WeakPolarHBondContact O-CB 3.35Å; K518-L522 PolarHBondContact O-N 3.47Å; A519-L522 PolarHBondContact O-N 3.47Å; V520-L522 VanDerWaalsContact C-N 3.34Å; V520-L522 PolarHBondContact O-N 3.03Å; L522-L525 HydrophobicContact CD1-CD2 4.47Å; L522-L525 WeakPolarHBondContact O-CB 3.26Å; L522-L525 PolarHBondContact O-N 3.06Å; L522-V526 WeakPolarHBondContact O-CG2 3.36Å; L522-V526 PolarHBondContact O-N 3.22Å
523C89.7Confident86.5Confident22 Ų2241.5 Ų41.515%0.14922%0.222CC..Hα-helixtrans-62.7-43.2176.7-71.90000111.8N442 A519 V520 I521 L525 V526 I527N442-C523 HydrophobicContact CB-CB 3.9Å; A519-C523 WeakPolarHBondContact O-CB 3.4Å; A519-C523 PolarHBondContact O-N 3.05Å; A519-C523 PolarHBondContact O-SG 3.13Å; V520-C523 PolarHBondContact O-N 2.56Å; I521-C523 PolarHBondContact O-N 2.65Å; C523-L525 VanDerWaalsContact C-N 3.3Å; C523-L525 PolarHBondContact O-N 3.49Å; C523-V526 PolarHBondContact O-N 3.06Å; C523-I527 WeakPolarHBondContact O-CG1 3.42Å; C523-I527 PolarHBondContact O-N 3.45Å
524N88.1Confident87Confident77 Ų7740.8 Ų40.841%0.41222%0.218SC..Hα-helixtrans-63.4-37176.3-71.3-27.3000111.8N442 V520 I521 I527 L528N442-N524 PolarHBondContact ND2-OD1 3.06Å; N442-N524 PolarHBondContact OD1-OD1 3.37Å; V520-N524 PolarHBondContact O-N 3.3Å; V520-N524 PolarHBondContact O-ND2 3.09Å; I521-N524 PolarHBondContact O-N 3.48Å; N524-I527 PolarHBondContact O-N 2.82Å; N524-L528 PolarHBondContact O-N 3.05Å
525L89.9Confident87.5Confident27 Ų2740.7 Ų40.714%0.14122%0.216CC..Hα-helixtrans-61.3-46.8173.1-168.593.5000111.8V102 L106 L107 L110 I521 L522 C523 I527 L528 V529V102-L525 HydrophobicContact CG1-CD1 4.35Å; L106-L525 HydrophobicContact CD2-CD1 3.49Å; L106-L525 VanDerWaalsContact CD2-CD1 3.49Å; L106-L525 HydrophobicContact CD2-CD2 3.66Å; L106-L525 HydrophobicContact CD2-CG 4.19Å; L106-L525 HydrophobicContact CG-CD1 3.85Å; L107-L525 HydrophobicContact CD1-CD1 4.35Å; L110-L525 HydrophobicContact CD1-CD1 3.4Å; L110-L525 VanDerWaalsContact CD1-CD1 3.4Å; L110-L525 HydrophobicContact CD1-CG 3.84Å; I521-L525 PolarHBondContact O-N 3.47Å; L522-L525 HydrophobicContact CD1-CD2 4.47Å; L522-L525 WeakPolarHBondContact O-CB 3.26Å; L522-L525 PolarHBondContact O-N 3.06Å; C523-L525 VanDerWaalsContact C-N 3.3Å; C523-L525 PolarHBondContact O-N 3.49Å; L525-I527 VanDerWaalsContact C-N 3.33Å; L525-I527 PolarHBondContact O-N 3.25Å; L525-L528 WeakPolarHBondContact O-CB 3.2Å; L525-L528 PolarHBondContact O-N 3.11Å; L525-L528 VanDerWaalsContact O-N 3.17Å; L525-V529 WeakPolarHBondContact O-CG2 3.2Å; L525-V529 PolarHBondContact O-N 3.19Å
526V90.5Very high87.7Confident63 Ų6337.6 Ų37.638%0.38221%0.211SC..Hα-helixtrans-62-41.5178.2170.40000111.1M438 L522 C523 L528 V529 S530M438-V526 HydrophobicContact SD-CG1 3.44Å; M438-V526 WeakPolarHBondContact SD-CG1 3.39Å; L522-V526 WeakPolarHBondContact O-CG2 3.36Å; L522-V526 PolarHBondContact O-N 3.22Å; C523-V526 PolarHBondContact O-N 3.06Å; V526-L528 VanDerWaalsContact C-N 3.33Å; V526-L528 PolarHBondContact O-N 3.19Å; V526-V529 PolarHBondContact O-N 2.73Å; V526-S530 WeakPolarHBondContact O-CB 3.16Å; V526-S530 PolarHBondContact O-N 3.19Å
527I87.9Confident88Confident6 Ų637.3 Ų37.33%0.03121%0.21CC..Hα-helixtrans-58.6-47173.6-72.1169.1000110.5M438 N442 C523 N524 L525 V529 S530 Y531M438-I527 HydrophobicContact CB-CG1 4.45Å; N442-I527 HydrophobicContact CB-CD1 3.6Å; N442-I527 WeakPolarHBondContact ND2-CD1 3.46Å; C523-I527 WeakPolarHBondContact O-CG1 3.42Å; C523-I527 PolarHBondContact O-N 3.45Å; N524-I527 PolarHBondContact O-N 2.82Å; L525-I527 VanDerWaalsContact C-N 3.33Å; L525-I527 PolarHBondContact O-N 3.25Å; I527-V529 PolarHBondContact O-N 2.93Å; I527-S530 WeakPolarHBondContact O-CA 3.29Å; I527-S530 WeakPolarHBondContact O-CB 3.32Å; I527-S530 PolarHBondContact O-N 3.46Å; I527-S530 PolarHBondContact O-OG 2.97Å; I527-Y531 HydrophobicContact CG2-CE1 3.96Å; I527-Y531 HydrophobicContact CG2-CE2 4.03Å; I527-Y531 WeakPolarHBondContact CG2-OH 3.38Å; I527-Y531 PolarHBondContact O-N 2.63Å
528L88.3Confident88.4Confident12 Ų1236.7 Ų36.76%0.06320%0.202CC..Hα-helixtrans-61-46.5-179.4-176.167.3000112L107 L110 M111 V114 N524 L525 V526 S530 Y531L107-L528 HydrophobicContact CD1-CD2 3.95Å; L110-L528 HydrophobicContact CB-CD2 3.63Å; L110-L528 HydrophobicContact CB-CG 4.38Å; L110-L528 HydrophobicContact CD1-CD2 4.35Å; M111-L528 HydrophobicContact CG-CD2 3.82Å; M111-L528 HydrophobicContact SD-CD1 3.33Å; M111-L528 WeakPolarHBondContact SD-CD1 3.41Å; M111-L528 HydrophobicContact SD-CD2 3.6Å; M111-L528 VanDerWaalsContact SD-CD2 3.6Å; M111-L528 HydrophobicContact SD-CG 4.1Å; V114-L528 HydrophobicContact CB-CD1 4.23Å; V114-L528 HydrophobicContact CG1-CD1 4.32Å; V114-L528 HydrophobicContact CG2-CD1 3.73Å; V114-L528 HydrophobicContact CG2-CG 3.95Å; V114-L528 VanDerWaalsContact CG2-O 3.29Å; V114-L528 WeakPolarHBondContact CG2-O 3.39Å; N524-L528 PolarHBondContact O-N 3.05Å; L525-L528 WeakPolarHBondContact O-CB 3.2Å; L525-L528 PolarHBondContact O-N 3.11Å; L525-L528 VanDerWaalsContact O-N 3.17Å; V526-L528 VanDerWaalsContact C-N 3.33Å; V526-L528 PolarHBondContact O-N 3.19Å; L528-S530 PolarHBondContact O-N 2.61Å; L528-Y531 HydrophobicContact CD1-CD2 4.22Å; L528-Y531 PolarHBondContact O-N 2.75Å
529V87.8Confident88.5Confident59 Ų5937.7 Ų37.736%0.35821%0.205SC..Hα-helixtrans-59.3-39.4173.8173.50000110.6L110 L525 V526 I527 Y531 Q532L110-V529 HydrophobicContact CD1-CG2 3.99Å; L110-V529 HydrophobicContact CD2-CG2 3.88Å; L525-V529 WeakPolarHBondContact O-CG2 3.2Å; L525-V529 PolarHBondContact O-N 3.19Å; V526-V529 PolarHBondContact O-N 2.73Å; I527-V529 PolarHBondContact O-N 2.93Å; V529-Y531 PolarHBondContact O-N 2.9Å; V529-Q532 WeakPolarHBondContact O-CB 3.35Å; V529-Q532 PolarHBondContact O-N 2.82Å
530S87.9Confident88.5Confident1 Ų141.2 Ų41.21%0.00722%0.223CC..Hα-helixtrans-63.8-25.6-17990.60000113.9K434 V526 I527 L528 Q532 L533K434-S530 PolarHBondContact NZ-O 3.21Å; K434-S530 PolarHBondContact NZ-OG 3.29Å; V526-S530 WeakPolarHBondContact O-CB 3.16Å; V526-S530 PolarHBondContact O-N 3.19Å; I527-S530 WeakPolarHBondContact O-CA 3.29Å; I527-S530 WeakPolarHBondContact O-CB 3.32Å; I527-S530 PolarHBondContact O-N 3.46Å; I527-S530 PolarHBondContact O-OG 2.97Å; L528-S530 PolarHBondContact O-N 2.61Å; S530-Q532 VanDerWaalsContact C-N 3.26Å; S530-Q532 PolarHBondContact O-N 2.75Å; S530-L533 WeakPolarHBondContact O-CB 3.44Å; S530-L533 PolarHBondContact O-N 3.13Å
531Y87.3Confident88.4Confident5 Ų544.2 Ų44.22%0.0224%0.236CC..Hα-helixtrans-63.8-34.4177.6-65.3-32.3000111.8V114 E145 I527 L528 V529 L533 N534V114-Y531 HydrophobicContact CG1-CD2 4.27Å; E145-Y531 HydrophobicContact CG-CE1 4.46Å; I527-Y531 HydrophobicContact CG2-CE1 3.96Å; I527-Y531 HydrophobicContact CG2-CE2 4.03Å; I527-Y531 WeakPolarHBondContact CG2-OH 3.38Å; I527-Y531 PolarHBondContact O-N 2.63Å; L528-Y531 HydrophobicContact CD1-CD2 4.22Å; L528-Y531 PolarHBondContact O-N 2.75Å; V529-Y531 PolarHBondContact O-N 2.9Å; Y531-L533 PolarHBondContact O-N 3Å; Y531-N534 WeakPolarHBondContact O-CB 3.06Å; Y531-N534 PolarHBondContact O-N 3.17Å
532Q87.5Confident88.4Confident46 Ų4642.9 Ų42.922%0.21523%0.23CC..Hα-helixtrans-63.6-30.5176.6-54.1-179.72.900112.2V114 V529 S530 N534 F535V114-Q532 HydrophobicContact CG2-CG 3.66Å; V529-Q532 WeakPolarHBondContact O-CB 3.35Å; V529-Q532 PolarHBondContact O-N 2.82Å; S530-Q532 VanDerWaalsContact C-N 3.26Å; S530-Q532 PolarHBondContact O-N 2.75Å; Q532-N534 PolarHBondContact O-N 3.22Å; Q532-F535 PolarHBondContact O-N 3.16Å
533L87.8Confident88.2Confident75 Ų7543 Ų4339%0.39324%0.235SC..Hα-helixtrans-64.7-23.6176.3-58.6176.1000112.2K434 S530 Y531 F535 V536 I537K434-L533 HydrophobicContact CD-CB 4.13Å; K434-L533 HydrophobicContact CD-CD1 4.41Å; K434-L533 HydrophobicContact CG-CD1 4.5Å; S530-L533 WeakPolarHBondContact O-CB 3.44Å; S530-L533 PolarHBondContact O-N 3.13Å; Y531-L533 PolarHBondContact O-N 3Å; L533-F535 VanDerWaalsContact C-N 3.33Å; L533-F535 PolarHBondContact O-N 3.23Å; L533-V536 PolarHBondContact O-N 3.12Å; L533-I537 HydrophobicContact CB-CD1 4.37Å; L533-I537 WeakPolarHBondContact O-CB 3.26Å; L533-I537 WeakPolarHBondContact O-CD1 3.42Å; L533-I537 WeakPolarHBondContact O-CG1 3.44Å; L533-I537 PolarHBondContact O-N 3.25Å
534N86.9Confident87.9Confident5 Ų543.6 Ų43.63%0.02724%0.235CC..Hα-helixtrans-58.3-47.7177.1-69-15.3000110.4E145 K434 Y531 Q532 V536 I537 Y538E145-N534 PolarHBondContact OE2-ND2 2.05Å; K434-N534 PolarHBondContact NZ-OD1 3.08Å; Y531-N534 WeakPolarHBondContact O-CB 3.06Å; Y531-N534 PolarHBondContact O-N 3.17Å; Q532-N534 PolarHBondContact O-N 3.22Å; N534-V536 PolarHBondContact O-N 3.31Å; N534-I537 PolarHBondContact O-N 2.91Å; N534-Y538 HydrophobicContact CB-CE2 3.9Å; N534-Y538 WeakPolarHBondContact O-CB 3.4Å; N534-Y538 VanDerWaalsContact O-CD1 3.24Å; N534-Y538 WeakPolarHBondContact O-CD1 3.19Å; N534-Y538 VanDerWaalsContact O-CD2 3.22Å; N534-Y538 WeakPolarHBondContact O-CD2 3.44Å; N534-Y538 PolarHBondContact O-N 3.1Å
535F90.4Very high87.9Confident38 Ų3839.9 Ų39.917%0.16722%0.216CC..Hα-helixtrans-58.4-47.7177.6176.1-95.1000111.9F120 V121 Q532 L533 I537 Y538 Y539 F545 F549F120-F535 HydrophobicContact CB-CD2 4.4Å; F120-F535 HydrophobicContact CB-CE2 4.08Å; V121-F535 HydrophobicContact CG2-CB 3.89Å; V121-F535 HydrophobicContact CG2-CD2 3.87Å; V121-F535 HydrophobicContact CG2-CG 4.39Å; Q532-F535 PolarHBondContact O-N 3.16Å; L533-F535 VanDerWaalsContact C-N 3.33Å; L533-F535 PolarHBondContact O-N 3.23Å; F535-I537 PolarHBondContact O-N 2.87Å; F535-Y538 PolarHBondContact O-N 3.5Å; F535-Y539 WeakPolarHBondContact O-CB 3.2Å; F535-Y539 PolarHBondContact O-N 3.38Å; F535-F545 HydrophobicContact CD2-CE1 4.14Å; F535-F545 AromaticContact CD2-CZ 3.98Å; F535-F545 HydrophobicContact CD2-CZ 3.98Å; F535-F545 AromaticContact CE2-CE1 3.97Å; F535-F545 HydrophobicContact CE2-CE1 3.97Å; F535-F545 HydrophobicContact CE2-CZ 4.07Å; F535-F549 HydrophobicContact CE2-CD2 4.02Å; F535-F549 AromaticContact CE2-CE2 3.82Å; F535-F549 HydrophobicContact CE2-CE2 3.82Å; F535-F549 HydrophobicContact CE2-CZ 4.4Å; F535-F549 HydrophobicContact CZ-CD2 4.19Å; F535-F549 HydrophobicContact CZ-CE1 4.4Å; F535-F549 AromaticContact CZ-CE2 3.74Å; F535-F549 HydrophobicContact CZ-CE2 3.74Å; F535-F549 AromaticContact CZ-CZ 3.85Å; F535-F549 HydrophobicContact CZ-CZ 3.85Å
536V90.3Very high87.9Confident79 Ų7943 Ų4348%0.47923%0.228SC..Hα-helixtrans-61.6-45.5-179.8-179.40000110.9L533 N534 Y538 Y539 V540L533-V536 PolarHBondContact O-N 3.12Å; N534-V536 PolarHBondContact O-N 3.31Å; V536-Y538 VanDerWaalsContact C-N 3.33Å; V536-Y538 PolarHBondContact O-N 2.9Å; V536-Y539 PolarHBondContact O-N 2.84Å; V536-V540 HydrophobicContact CG1-CG2 4.44Å; V536-V540 WeakPolarHBondContact O-CG2 3.36Å; V536-V540 PolarHBondContact O-N 3.4Å
537I88.9Confident87.8Confident24 Ų2445.3 Ų45.312%0.12324%0.235CC..Hα-helixtrans-60.9-44.5177.6-67.7162.5000110.3M427 V430 V431 K434 L533 N534 F535 V540 M541M427-I537 HydrophobicContact CG-CG2 4.47Å; V430-I537 HydrophobicContact CG1-CD1 4.21Å; V430-I537 HydrophobicContact CG1-CG1 4.32Å; V430-I537 HydrophobicContact CG1-CG2 4.12Å; V431-I537 HydrophobicContact CG2-CG2 3.78Å; K434-I537 HydrophobicContact CB-CD1 4.46Å; K434-I537 HydrophobicContact CD-CD1 4.05Å; K434-I537 HydrophobicContact CG-CD1 4.37Å; L533-I537 HydrophobicContact CB-CD1 4.37Å; L533-I537 WeakPolarHBondContact O-CB 3.26Å; L533-I537 WeakPolarHBondContact O-CD1 3.42Å; L533-I537 WeakPolarHBondContact O-CG1 3.44Å; L533-I537 PolarHBondContact O-N 3.25Å; N534-I537 PolarHBondContact O-N 2.91Å; F535-I537 PolarHBondContact O-N 2.87Å; I537-V540 PolarHBondContact O-N 2.96Å; I537-M541 HydrophobicContact CG2-CG 4.49Å; I537-M541 VanDerWaalsContact O-CB 3.3Å; I537-M541 WeakPolarHBondContact O-CB 3.01Å; I537-M541 PolarHBondContact O-N 3.22Å
538Y89.6Confident87.8Confident6 Ų645.7 Ų45.72%0.02424%0.237CC..Hα-helixtrans-64.8-43.6179.9-58.8-16.9000111.5V121 F125 L138 M427 V431 N534 F535 V536 S542 F545V121-Y538 HydrophobicContact CG1-CD2 4.06Å; V121-Y538 HydrophobicContact CG1-CE2 3.84Å; V121-Y538 HydrophobicContact CG2-CD2 4.18Å; V121-Y538 HydrophobicContact CG2-CE2 4.41Å; F125-Y538 AromaticContact CE2-CD2 3.83Å; F125-Y538 HydrophobicContact CE2-CD2 3.83Å; F125-Y538 AromaticContact CE2-CE2 3.75Å; F125-Y538 HydrophobicContact CE2-CE2 3.75Å; F125-Y538 AromaticContact CZ-CD2 3.84Å; F125-Y538 HydrophobicContact CZ-CD2 3.84Å; F125-Y538 HydrophobicContact CZ-CE2 4.05Å; F125-Y538 HydrophobicContact CZ-CG 4.28Å; L138-Y538 HydrophobicContact CD2-CE1 4.46Å; L138-Y538 WeakPolarHBondContact CD2-OH 3.24Å; M427-Y538 HydrophobicContact CE-CD1 3.02Å; M427-Y538 HydrophobicContact CE-CE1 3.55Å; M427-Y538 HydrophobicContact CE-CG 3.69Å; V431-Y538 HydrophobicContact CG2-CD1 4.33Å; V431-Y538 HydrophobicContact CG2-CE1 3.65Å; N534-Y538 HydrophobicContact CB-CE2 3.9Å; N534-Y538 WeakPolarHBondContact O-CB 3.4Å; N534-Y538 VanDerWaalsContact O-CD1 3.24Å; N534-Y538 WeakPolarHBondContact O-CD1 3.19Å; N534-Y538 VanDerWaalsContact O-CD2 3.22Å; N534-Y538 WeakPolarHBondContact O-CD2 3.44Å; N534-Y538 PolarHBondContact O-N 3.1Å; F535-Y538 PolarHBondContact O-N 3.5Å; V536-Y538 VanDerWaalsContact C-N 3.33Å; V536-Y538 PolarHBondContact O-N 2.9Å; Y538-S542 VanDerWaalsContact O-CB 3.3Å; Y538-S542 WeakPolarHBondContact O-CB 3.02Å; Y538-S542 PolarHBondContact O-N 3.39Å; Y538-F545 HydrophobicContact CD2-CE2 4.19Å; Y538-F545 HydrophobicContact CD2-CZ 4.46Å
539Y89.8Confident87.8Confident67 Ų6746.6 Ų46.626%0.26324%0.241SC..Hα-helixtrans-63.8-40.9178.5-172.9-94000113.2F535 V536 K546 F549 N550F535-Y539 WeakPolarHBondContact O-CB 3.2Å; F535-Y539 PolarHBondContact O-N 3.38Å; V536-Y539 PolarHBondContact O-N 2.84Å; Y539-K546 HydrophobicContact CD2-CB 4.46Å; Y539-K546 HydrophobicContact CD2-CG 4.29Å; Y539-K546 HydrophobicContact CE1-CD 4.33Å; Y539-K546 HydrophobicContact CE1-CG 4.39Å; Y539-K546 HydrophobicContact CE2-CB 4.43Å; Y539-K546 HydrophobicContact CE2-CG 3.81Å; Y539-F549 HydrophobicContact CD2-CD1 4.07Å; Y539-F549 HydrophobicContact CD2-CG 4.47Å; Y539-F549 AromaticContact CE2-CD1 3.68Å; Y539-F549 HydrophobicContact CE2-CD1 3.68Å; Y539-F549 HydrophobicContact CE2-CE1 4.19Å; Y539-F549 HydrophobicContact CE2-CG 4.45Å; Y539-N550 PolarHBondContact OH-OD1 3.33Å
540V88Confident87.9Confident104 Ų10445.9 Ų45.963%0.6324%0.235SC*.Hα-helixtrans-78.1-42.6-177.9173.70000112.2V536 I537V536-V540 HydrophobicContact CG1-CG2 4.44Å; V536-V540 WeakPolarHBondContact O-CG2 3.36Å; V536-V540 PolarHBondContact O-N 3.4Å; I537-V540 PolarHBondContact O-N 2.96Å
541M84.8Confident87.9Confident85 Ų8550 Ų5042%0.41926%0.257SS..Hα-helixtrans-94.6-25.1-168.7-67.6-78.4179.900114.3M427 V430 I537M427-M541 HydrophobicContact CB-CB 3.83Å; M427-M541 HydrophobicContact CG-CB 3.99Å; V430-M541 HydrophobicContact CG2-CE 4.49Å; I537-M541 HydrophobicContact CG2-CG 4.49Å; I537-M541 VanDerWaalsContact O-CB 3.3Å; I537-M541 WeakPolarHBondContact O-CB 3.01Å; I537-M541 PolarHBondContact O-N 3.22Å
542S85.9Confident87.8Confident7 Ų752 Ų525%0.04927%0.268CS..  trans-105.8104.5-179.4-179.80000110.6Y538 Q544 F545 K546Y538-S542 VanDerWaalsContact O-CB 3.3Å; Y538-S542 WeakPolarHBondContact O-CB 3.02Å; Y538-S542 PolarHBondContact O-N 3.39Å; S542-Q544 PolarHBondContact O-N 3.42Å; S542-F545 WeakPolarHBondContact O-CB 3.39Å; S542-F545 PolarHBondContact O-N 3.46Å; S542-F545 VanDerWaalsContact O-N 3.07Å; S542-F545 WeakPolarHBondContact OG-CB 3.31Å; S542-F545 PolarHBondContact OG-N 3.26Å; S542-K546 PolarHBondContact O-N 2.97Å
543T84.3Confident87.5Confident95 Ų9552.2 Ų52.258%0.58327%0.274SS*.Hα-helixtrans-57.6-38.8174.855.70000111.6F545 K546 E547T543-F545 VanDerWaalsContact C-N 3.33Å; T543-F545 PolarHBondContact O-N 2.73Å; T543-K546 PolarHBondContact O-N 3.05Å; T543-E547 WeakPolarHBondContact O-CB 3.47Å; T543-E547 VanDerWaalsContact O-CG 3.28Å; T543-E547 WeakPolarHBondContact O-CG 3.13Å; T543-E547 PolarHBondContact O-N 3.1Å
544Q84.4Confident86.9Confident34 Ų3454.9 Ų54.916%0.15928%0.282CS..Hα-helixtrans-61.8-41.9176.2-63.5-173.7-43.500111.7M130 F135 I419 S542 T548M130-Q544 HydrophobicContact CE-CB 3.89Å; M130-Q544 WeakPolarHBondContact CE-O 3.43Å; M130-Q544 HydrophobicContact SD-CB 4.31Å; F135-Q544 VanDerWaalsContact CE2-OE1 3.27Å; I419-Q544 VanDerWaalsContact CG1-NE2 3.26Å; S542-Q544 PolarHBondContact O-N 3.42Å; Q544-T548 VanDerWaalsContact O-CB 3.26Å; Q544-T548 WeakPolarHBondContact O-CB 3.28Å; Q544-T548 PolarHBondContact O-N 3.4Å; Q544-T548 PolarHBondContact O-OG1 2.96Å
545F87.9Confident85.5Confident0 Ų058.9 Ų58.90%030%0.303CS..Hα-helixtrans-66.6-47.9179-175.5-84.1000110.1V121 V124 F125 M130 F535 Y538 S542 T543 E547 T548 F549V121-F545 HydrophobicContact CG2-CZ 4.44Å; V124-F545 HydrophobicContact CB-CD2 4.1Å; V124-F545 HydrophobicContact CB-CE2 3.63Å; V124-F545 HydrophobicContact CB-CZ 4.03Å; V124-F545 HydrophobicContact CG1-CD1 4.45Å; V124-F545 HydrophobicContact CG1-CD2 3.38Å; V124-F545 HydrophobicContact CG1-CE2 3.46Å; V124-F545 VanDerWaalsContact CG1-CE2 3.46Å; V124-F545 HydrophobicContact CG1-CG 3.91Å; V124-F545 HydrophobicContact CG1-CZ 4.06Å; V124-F545 HydrophobicContact CG2-CE2 4.19Å; V124-F545 HydrophobicContact CG2-CZ 4.07Å; F125-F545 HydrophobicContact CD1-CD2 4.3Å; F125-F545 AromaticContact CE1-CD2 3.73Å; F125-F545 HydrophobicContact CE1-CD2 3.73Å; F125-F545 HydrophobicContact CE1-CE2 4.21Å; F125-F545 HydrophobicContact CE2-CD2 4.47Å; F125-F545 HydrophobicContact CE2-CE2 4.18Å; F125-F545 AromaticContact CZ-CD2 3.82Å; F125-F545 HydrophobicContact CZ-CD2 3.82Å; F125-F545 AromaticContact CZ-CE2 3.98Å; F125-F545 HydrophobicContact CZ-CE2 3.98Å; M130-F545 HydrophobicContact CE-CB 4.11Å; M130-F545 VanDerWaalsContact CE-N 3.34Å; F535-F545 HydrophobicContact CD2-CE1 4.14Å; F535-F545 AromaticContact CD2-CZ 3.98Å; F535-F545 HydrophobicContact CD2-CZ 3.98Å; F535-F545 AromaticContact CE2-CE1 3.97Å; F535-F545 HydrophobicContact CE2-CE1 3.97Å; F535-F545 HydrophobicContact CE2-CZ 4.07Å; Y538-F545 HydrophobicContact CD2-CE2 4.19Å; Y538-F545 HydrophobicContact CD2-CZ 4.46Å; S542-F545 WeakPolarHBondContact O-CB 3.39Å; S542-F545 PolarHBondContact O-N 3.46Å; S542-F545 VanDerWaalsContact O-N 3.07Å; S542-F545 WeakPolarHBondContact OG-CB 3.31Å; S542-F545 PolarHBondContact OG-N 3.26Å; T543-F545 VanDerWaalsContact C-N 3.33Å; T543-F545 PolarHBondContact O-N 2.73Å; F545-E547 PolarHBondContact O-N 3.19Å; F545-T548 PolarHBondContact O-N 2.94Å; F545-F549 VanDerWaalsContact O-CB 3.3Å; F545-F549 WeakPolarHBondContact O-CB 3.5Å; F545-F549 PolarHBondContact O-N 3.07Å
546K89.2Confident83.8Confident91 Ų9163.6 Ų63.640%0.39632%0.323SS..Hα-helixtrans-57.7-49.3177.1-176.2174.3179.9179.60112.6Y539 S542 T543 F549 N550Y539-K546 HydrophobicContact CD2-CB 4.46Å; Y539-K546 HydrophobicContact CD2-CG 4.29Å; Y539-K546 HydrophobicContact CE1-CD 4.33Å; Y539-K546 HydrophobicContact CE1-CG 4.39Å; Y539-K546 HydrophobicContact CE2-CB 4.43Å; Y539-K546 HydrophobicContact CE2-CG 3.81Å; S542-K546 PolarHBondContact O-N 2.97Å; T543-K546 PolarHBondContact O-N 3.05Å; K546-F549 PolarHBondContact O-N 3.13Å; K546-N550 VanDerWaalsContact O-CB 3.32Å; K546-N550 WeakPolarHBondContact O-CB 3.21Å; K546-N550 PolarHBondContact O-N 3.45Å
547E88.7Confident81.8Confident112 Ų11267.7 Ų67.752%0.52333%0.331SS..Hα-helixtrans-61.9-45.1177.9-74.8169.2-164.800111.1T543 F545 F549 N550 N551T543-E547 WeakPolarHBondContact O-CB 3.47Å; T543-E547 VanDerWaalsContact O-CG 3.28Å; T543-E547 WeakPolarHBondContact O-CG 3.13Å; T543-E547 PolarHBondContact O-N 3.1Å; F545-E547 PolarHBondContact O-N 3.19Å; E547-F549 PolarHBondContact O-N 3.45Å; E547-N550 PolarHBondContact O-N 2.89Å; E547-N551 VanDerWaalsContact O-CB 3.31Å; E547-N551 WeakPolarHBondContact O-CB 3.31Å; E547-N551 PolarHBondContact O-N 3.34Å; E547-N551 PolarHBondContact O-ND2 2.97Å; E547-N551 PolarHBondContact O-OD1 3.3Å
548T87.7Confident79.9Confident15 Ų1574.6 Ų74.69%0.09236%0.361CS..Hα-helixtrans-65.9-40.8179.9-570000111.8V124 K127 M130 Q544 F545 N551 L552V124-T548 HydrophobicContact CG1-CG2 3.93Å; K127-T548 HydrophobicContact CB-CG2 3.84Å; K127-T548 HydrophobicContact CG-CG2 3.7Å; M130-T548 HydrophobicContact CE-CG2 4.45Å; M130-T548 WeakPolarHBondContact CE-OG1 3.48Å; Q544-T548 VanDerWaalsContact O-CB 3.26Å; Q544-T548 WeakPolarHBondContact O-CB 3.28Å; Q544-T548 PolarHBondContact O-N 3.4Å; Q544-T548 PolarHBondContact O-OG1 2.96Å; F545-T548 PolarHBondContact O-N 2.94Å; T548-N551 PolarHBondContact O-N 3.42Å; T548-L552 HydrophobicContact CG2-CD1 4.39Å; T548-L552 WeakPolarHBondContact O-CG 3.47Å; T548-L552 PolarHBondContact O-N 3.22Å
549F89.6Confident78.1Confident30 Ų3078.1 Ų78.113%0.13238%0.383CS..Hα-helixtrans-64.2-48.3174.4179-93.8000111.6F120 V124 F535 Y539 F545 K546 E547 N551 L552 C553F120-F549 HydrophobicContact CB-CE2 4.38Å; F120-F549 HydrophobicContact CD1-CE2 4.05Å; F120-F549 HydrophobicContact CG-CE2 4.27Å; V124-F549 HydrophobicContact CG2-CB 3.9Å; V124-F549 HydrophobicContact CG2-CD2 3.79Å; V124-F549 HydrophobicContact CG2-CG 4.35Å; F535-F549 HydrophobicContact CE2-CD2 4.02Å; F535-F549 AromaticContact CE2-CE2 3.82Å; F535-F549 HydrophobicContact CE2-CE2 3.82Å; F535-F549 HydrophobicContact CE2-CZ 4.4Å; F535-F549 HydrophobicContact CZ-CD2 4.19Å; F535-F549 HydrophobicContact CZ-CE1 4.4Å; F535-F549 AromaticContact CZ-CE2 3.74Å; F535-F549 HydrophobicContact CZ-CE2 3.74Å; F535-F549 AromaticContact CZ-CZ 3.85Å; F535-F549 HydrophobicContact CZ-CZ 3.85Å; Y539-F549 HydrophobicContact CD2-CD1 4.07Å; Y539-F549 HydrophobicContact CD2-CG 4.47Å; Y539-F549 AromaticContact CE2-CD1 3.68Å; Y539-F549 HydrophobicContact CE2-CD1 3.68Å; Y539-F549 HydrophobicContact CE2-CE1 4.19Å; Y539-F549 HydrophobicContact CE2-CG 4.45Å; F545-F549 VanDerWaalsContact O-CB 3.3Å; F545-F549 WeakPolarHBondContact O-CB 3.5Å; F545-F549 PolarHBondContact O-N 3.07Å; K546-F549 PolarHBondContact O-N 3.13Å; E547-F549 PolarHBondContact O-N 3.45Å; F549-N551 VanDerWaalsContact C-N 3.29Å; F549-N551 PolarHBondContact O-N 3.46Å; F549-L552 WeakPolarHBondContact O-CB 3.3Å; F549-L552 PolarHBondContact O-N 3.46Å; F549-C553 VanDerWaalsContact CZ-SG 3.55Å; F549-C553 PolarHBondContact O-N 3.02Å
550N89.2Confident76.1Confident45 Ų4581.1 Ų81.124%0.24140%0.403CS..Hα-helixtrans-61.9-39.1178.4-73.2-5.7000111.5Y539 K546 E547 L552 C553 F554Y539-N550 PolarHBondContact OH-OD1 3.33Å; K546-N550 VanDerWaalsContact O-CB 3.32Å; K546-N550 WeakPolarHBondContact O-CB 3.21Å; K546-N550 PolarHBondContact O-N 3.45Å; E547-N550 PolarHBondContact O-N 2.89Å; N550-L552 VanDerWaalsContact C-N 3.28Å; N550-L552 PolarHBondContact O-N 3.36Å; N550-C553 PolarHBondContact O-N 3.27Å; N550-F554 HydrophobicContact CB-CD2 4.21Å; N550-F554 WeakPolarHBondContact O-CB 3.34Å; N550-F554 PolarHBondContact O-N 3.25Å
551N87.1Confident74.2Confident86 Ų8682.2 Ų82.246%0.4641%0.405SS..Iπ-helixtrans-64-34.7174.8-68.6-11.5000112E547 T548 F549 I555E547-N551 VanDerWaalsContact O-CB 3.31Å; E547-N551 WeakPolarHBondContact O-CB 3.31Å; E547-N551 PolarHBondContact O-N 3.34Å; E547-N551 PolarHBondContact O-ND2 2.97Å; E547-N551 PolarHBondContact O-OD1 3.3Å; T548-N551 PolarHBondContact O-N 3.42Å; F549-N551 VanDerWaalsContact C-N 3.29Å; F549-N551 PolarHBondContact O-N 3.46Å; N551-I555 HydrophobicContact CB-CD1 4.01Å; N551-I555 WeakPolarHBondContact O-CB 3.39Å; N551-I555 PolarHBondContact O-N 2.91Å; N551-I555 WeakPolarHBondContact OD1-CD1 3.3Å
552L85.3Confident72.2Confident48 Ų4888.7 Ų88.725%0.25143%0.425SS..Iπ-helixtrans-70.5-45.2176.7-79.5168000112.8V124 K127 T548 F549 N550V124-L552 HydrophobicContact CG2-CD1 4.09Å; K127-L552 HydrophobicContact CD-CD2 4.4Å; K127-L552 HydrophobicContact CG-CD1 4.19Å; T548-L552 HydrophobicContact CG2-CD1 4.39Å; T548-L552 WeakPolarHBondContact O-CG 3.47Å; T548-L552 PolarHBondContact O-N 3.22Å; F549-L552 WeakPolarHBondContact O-CB 3.3Å; F549-L552 PolarHBondContact O-N 3.46Å; N550-L552 VanDerWaalsContact C-N 3.28Å; N550-L552 PolarHBondContact O-N 3.36Å
553C82.5Confident70Confident50 Ų5098 Ų9834%0.33847%0.474SS..Iπ-helixtrans-81.4-41.1-175.6-66.50000113.1F549 N550F549-C553 VanDerWaalsContact CZ-SG 3.55Å; F549-C553 PolarHBondContact O-N 3.02Å; N550-C553 PolarHBondContact O-N 3.27Å
554F73.8Confident69.3Low131 Ų13198.2 Ų98.258%0.57547%0.469SS*.Iπ-helixtrans-103.6-32.5-168.2-63.5-76.4000114.5N550 Y557 F558N550-F554 HydrophobicContact CB-CD2 4.21Å; N550-F554 WeakPolarHBondContact O-CB 3.34Å; N550-F554 PolarHBondContact O-N 3.25Å; F554-Y557 PolarHBondContact O-N 3.26Å; F554-F558 PolarHBondContact O-N 3.32Å
555I59.1Low68.5Low90 Ų90101.6 Ų101.646%0.46249%0.485SS..Iπ-helixtrans-76.1-35.4-178.3-65179.6000111.8N551 Y557 F558 T559N551-I555 HydrophobicContact CB-CD1 4.01Å; N551-I555 WeakPolarHBondContact O-CB 3.39Å; N551-I555 PolarHBondContact O-N 2.91Å; N551-I555 WeakPolarHBondContact OD1-CD1 3.3Å; I555-Y557 PolarHBondContact O-N 3.37Å; I555-F558 PolarHBondContact O-N 3.36Å; I555-F558 VanDerWaalsContact O-N 3.13Å; I555-T559 PolarHBondContact O-N 3.46Å; I555-T559 PolarHBondContact O-OG1 2.77Å
556K53.1Low67.5Low137 Ų137107.2 Ų107.260%0.59651%0.512SS*.Hα-helixtrans-63.5-31.5173.1-88.2-167.8171.8-165.90112.8F558 T559 L560K556-F558 VanDerWaalsContact C-N 3.29Å; K556-F558 PolarHBondContact O-N 3.48Å; K556-T559 WeakPolarHBondContact CA-OG1 3.43Å; K556-T559 PolarHBondContact O-N 3Å; K556-T559 PolarHBondContact O-OG1 3.07Å; K556-T559 VanDerWaalsContact O-OG1 3.07Å; K556-L560 WeakPolarHBondContact O-CB 3.39Å; K556-L560 PolarHBondContact O-N 3.29Å
557Y49Very low66.2Low165 Ų165108.2 Ų108.265%0.64752%0.519SS*.Hα-helixtrans-66.1-34.6175.2-145.8-87.6000111.6F554 I555 N561F554-Y557 PolarHBondContact O-N 3.26Å; I555-Y557 PolarHBondContact O-N 3.37Å; Y557-N561 PolarHBondContact O-N 3.26Å
558F49.1Very low64.8Low169 Ų169107.9 Ų107.974%0.74152%0.519SS*.Hα-helixtrans-78-28175.4-95.6-79.5000114.2F554 I555 K556F554-F558 PolarHBondContact O-N 3.32Å; I555-F558 PolarHBondContact O-N 3.36Å; I555-F558 VanDerWaalsContact O-N 3.13Å; K556-F558 VanDerWaalsContact C-N 3.29Å; K556-F558 PolarHBondContact O-N 3.48Å
559T50.8Low63.2Low80 Ų80114.1 Ų114.149%0.49155%0.547SS..Hα-helixtrans-78.1-32.7174.253.70000112.5I555 K556 R562I555-T559 PolarHBondContact O-N 3.46Å; I555-T559 PolarHBondContact O-OG1 2.77Å; K556-T559 WeakPolarHBondContact CA-OG1 3.43Å; K556-T559 PolarHBondContact O-N 3Å; K556-T559 PolarHBondContact O-OG1 3.07Å; K556-T559 VanDerWaalsContact O-OG1 3.07Å; T559-R562 PolarHBondContact O-N 3.28Å
560L49.5Very low61.4Low130 Ų130120.1 Ų120.168%0.68158%0.577SS**Hα-helixtrans-76.4-22.2177.4-89.3155.1000113.9K556 R562K556-L560 WeakPolarHBondContact O-CB 3.39Å; K556-L560 PolarHBondContact O-N 3.29Å; L560-R562 VanDerWaalsContact C-N 3.32Å
561N47.3Very low59.2Low127 Ų127125.9 Ų125.968%0.67960%0.603SS**THydrogen-bonded Turntrans-90.57.7174.3-92.112.6000113.5Y557Y557-N561 PolarHBondContact O-N 3.26Å
562R42.6Very low56.9Low221 Ų221129.3 Ų129.383%0.83462%0.615SS**THydrogen-bonded Turntrans-111.4-15.7-179.7-166.6176.1156.7159.1-1.7113.4T559 L560T559-R562 PolarHBondContact O-N 3.28Å; L560-R562 VanDerWaalsContact C-N 3.32Å
563D40.8Very low54.3Low203 Ų203136.6 Ų136.6100%1.08665%0.648SS**  trans-97.40163.2-60.3-24000108.3

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