X2JDS0_DROME Loading...

Lipase

AlphaFold DB (O46107), UniProt , Accession X2JDS0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Lip1, Length 439 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
1M42.1Very low54.1Low199 Ų199101.7 Ų101.798%0.9850%0.502SS*.  0-55.90-76.5174.274.400113.9C3 S4M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.33Å; M1-S4 WeakPolarHBondContact O-CB 3.43Å; M1-S4 PolarHBondContact O-N 3.07Å
2R40.5Very low54.8Low235 Ų23595.3 Ų95.389%0.88747%0.471SS*.Hα-helixtrans-55.6-34.6-177.2-72.2-177.8178.7178.3-1.2116S4R2-S4 VanDerWaalsContact C-N 3.35Å; R2-S4 PolarHBondContact O-N 3.5Å
3C47.5Very low55.5Low115 Ų11589.4 Ų89.478%0.77744%0.442SS*.Hα-helixtrans-66.6-31.9174.8-96.40000113.8M1 M7M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.33Å; C3-M7 PolarHBondContact O-N 3.34Å
4S55.9Low55.7Low70 Ų7085.3 Ų85.349%0.4943%0.434SS..Hα-helixtrans-72.6-43.1-176.3169.20000111.4M1 R2 R6 M7 Q8M1-S4 WeakPolarHBondContact O-CB 3.43Å; M1-S4 PolarHBondContact O-N 3.07Å; R2-S4 VanDerWaalsContact C-N 3.35Å; R2-S4 PolarHBondContact O-N 3.5Å; S4-R6 PolarHBondContact O-N 3.43Å; S4-M7 PolarHBondContact O-N 3.22Å; S4-Q8 WeakPolarHBondContact O-CG 3.4Å; S4-Q8 PolarHBondContact O-N 3.44Å
5L52.5Low55.8Low31 Ų3184.5 Ų84.516%0.16243%0.431CS..Hα-helixtrans-68.9-31.8178.6-77.6107.7000113.7M7 Q8 L9 Y237 E277L5-M7 VanDerWaalsContact C-N 3.32Å; L5-M7 PolarHBondContact O-N 2.83Å; L5-Q8 PolarHBondContact O-N 3.3Å; L5-L9 PolarHBondContact O-N 3.41Å; L5-Y237 VanDerWaalsContact CB-OH 3.27Å; L5-Y237 WeakPolarHBondContact CB-OH 3.48Å; L5-E277 HydrophobicContact CD2-CB 4.14Å
6R59.6Low56.2Low106 Ų10680.3 Ų80.340%0.441%0.411SS..Hα-helixtrans-63.8-38.7175.4-172.2179.8179.1-168.9-1.4111.8S4 L10S4-R6 PolarHBondContact O-N 3.43Å; R6-L10 PolarHBondContact O-N 3.33Å
7M55.7Low56.2Low125 Ų12576.8 Ų76.862%0.61639%0.394SS*.Hα-helixtrans-65.6-40.3173.9-106-176.875.300111.4C3 S4 L5 L10 L11C3-M7 PolarHBondContact O-N 3.34Å; S4-M7 PolarHBondContact O-N 3.22Å; L5-M7 VanDerWaalsContact C-N 3.32Å; L5-M7 PolarHBondContact O-N 2.83Å; M7-L10 PolarHBondContact O-N 2.89Å; M7-L11 HydrophobicContact CB-CD1 4.48Å; M7-L11 HydrophobicContact CE-CD1 4.12Å; M7-L11 WeakPolarHBondContact O-CB 3.3Å; M7-L11 WeakPolarHBondContact O-CD1 3.38Å; M7-L11 WeakPolarHBondContact O-CG 3.42Å; M7-L11 PolarHBondContact O-N 2.92Å
8Q60.4Low56Low62 Ų6279.5 Ų79.529%0.2940%0.403SS..Hα-helixtrans-61.8-43.8-179.3-73170.3-2500112.9S4 L5 L11 L12 L274S4-Q8 WeakPolarHBondContact O-CG 3.4Å; S4-Q8 PolarHBondContact O-N 3.44Å; L5-Q8 PolarHBondContact O-N 3.3Å; Q8-L11 PolarHBondContact O-N 3.45Å; Q8-L12 WeakPolarHBondContact O-CB 3.46Å; Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.39Å; Q8-L274 HydrophobicContact CG-CD2 4.44Å; Q8-L274 VanDerWaalsContact NE2-CD2 3.32Å
9L61.3Low56Low12 Ų1277.2 Ų77.26%0.06339%0.391CS..Hα-helixtrans-65.3-42.9177.2-178.268.6000112.2L5 L11 L12 L13 Y237 I241 A278 I282L5-L9 PolarHBondContact O-N 3.41Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.14Å; L9-L12 PolarHBondContact O-N 2.99Å; L9-L13 HydrophobicContact CD1-CD1 4.43Å; L9-L13 HydrophobicContact CD1-CG 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 HydrophobicContact CG-CG 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.03Å; L9-Y237 HydrophobicContact CB-CD1 4.35Å; L9-Y237 HydrophobicContact CB-CE1 4.31Å; L9-Y237 HydrophobicContact CD2-CD1 3.54Å; L9-Y237 HydrophobicContact CD2-CE1 4.25Å; L9-Y237 HydrophobicContact CD2-CG 4.48Å; L9-I241 HydrophobicContact CD2-CD1 4.23Å; L9-I241 HydrophobicContact CD2-CG1 4.34Å; L9-A278 HydrophobicContact CD1-CB 3.68Å; L9-I282 HydrophobicContact CD2-CG2 3.95Å
10L62.6Low55.8Low67 Ų6775.6 Ų75.635%0.35139%0.387SS..Hα-helixtrans-65.5-36.5177.2-76.9169.2000111.8R6 M7 G14 A240R6-L10 PolarHBondContact O-N 3.33Å; M7-L10 PolarHBondContact O-N 2.89Å; L10-G14 PolarHBondContact O-N 3.45Å; L10-A240 HydrophobicContact CD1-CB 4.42Å; L10-A240 HydrophobicContact CD2-CB 4.23Å; L10-A240 HydrophobicContact CG-CB 4.34Å
11L56.8Low55.7Low97 Ų9779.4 Ų79.451%0.50840%0.397SS..Hα-helixtrans-63.4-46.9172.6-85.7155.9000111.3M7 Q8 L9 G14 L15M7-L11 HydrophobicContact CB-CD1 4.48Å; M7-L11 HydrophobicContact CE-CD1 4.12Å; M7-L11 WeakPolarHBondContact O-CB 3.3Å; M7-L11 WeakPolarHBondContact O-CD1 3.38Å; M7-L11 WeakPolarHBondContact O-CG 3.42Å; M7-L11 PolarHBondContact O-N 2.92Å; Q8-L11 PolarHBondContact O-N 3.45Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.14Å; L11-G14 CarbonylContact O-C 3.57Å; L11-G14 PolarHBondContact O-N 3.08Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.07Å; L11-L15 PolarHBondContact O-N 3.09Å
12L62.3Low56Low24 Ų2472.9 Ų72.913%0.12637%0.365CS..Hα-helixtrans-62.6-46177.3-79.8162.6000112.2Q8 L9 G14 L15 C16 L264 A278Q8-L12 WeakPolarHBondContact O-CB 3.46Å; Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 2.99Å; L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 3.26Å; L12-L15 PolarHBondContact O-N 2.94Å; L12-C16 PolarHBondContact O-N 3.36Å; L12-C16 PolarHBondContact O-SG 2.98Å; L12-L264 HydrophobicContact CD2-CD1 4.41Å; L12-A278 HydrophobicContact CD1-CB 3.52Å
13L64.8Low56.2Low19 Ų1966.5 Ų66.510%0.09935%0.346CS..Hα-helixtrans-62.8-39.5174-71.8171.1000111.4L9 C16 V17 I241 Y244L9-L13 HydrophobicContact CD1-CD1 4.43Å; L9-L13 HydrophobicContact CD1-CG 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 HydrophobicContact CG-CG 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.03Å; L13-C16 PolarHBondContact O-N 3.48Å; L13-V17 PolarHBondContact O-N 3.15Å; L13-I241 HydrophobicContact CD1-CG1 4.06Å; L13-Y244 HydrophobicContact CB-CD1 4.45Å; L13-Y244 HydrophobicContact CB-CD2 4.41Å; L13-Y244 HydrophobicContact CB-CE1 4.1Å; L13-Y244 HydrophobicContact CB-CE2 4.03Å; L13-Y244 HydrophobicContact CD1-CD1 4.3Å; L13-Y244 HydrophobicContact CD1-CG 4.49Å; L13-Y244 HydrophobicContact CD2-CE1 4.5Å; L13-Y244 PolarHBondContact O-OH 2.89Å
14G58Low56.2Low32 Ų3263.7 Ų63.733%0.3334%0.336SS..Hα-helixtrans-61.8-45.1174.600000112.5L10 L11 L12 V17 F18L10-G14 PolarHBondContact O-N 3.45Å; L11-G14 CarbonylContact O-C 3.57Å; L11-G14 PolarHBondContact O-N 3.08Å; L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 3.26Å; G14-V17 PolarHBondContact O-N 3.39Å; G14-F18 WeakPolarHBondContact O-CB 3.49Å; G14-F18 PolarHBondContact O-N 2.81Å
15L57.6Low55.6Low74 Ų7468.2 Ų68.239%0.38735%0.35SS..Hα-helixtrans-62.3-46.8175.6-78.9159.7000111.1L11 L12 V17 F18 I19 L264L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.07Å; L11-L15 PolarHBondContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 2.94Å; L15-V17 VanDerWaalsContact C-N 3.26Å; L15-V17 PolarHBondContact O-N 3.43Å; L15-F18 WeakPolarHBondContact O-CB 3.38Å; L15-F18 PolarHBondContact O-N 2.89Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.04Å; L15-L264 HydrophobicContact CB-CD1 4Å
16C61Low54.5Low17 Ų1772.9 Ų72.912%0.11537%0.374CS..Hα-helixtrans-56.5-39.9176.9-68.20000112.1L12 L13 S20 E260L12-C16 PolarHBondContact O-N 3.36Å; L12-C16 PolarHBondContact O-SG 2.98Å; L13-C16 PolarHBondContact O-N 3.48Å; C16-S20 WeakPolarHBondContact O-CB 3.36Å; C16-S20 PolarHBondContact O-N 3.1Å; C16-S20 PolarHBondContact O-OG 3.08Å; C16-E260 HydrophobicContact CB-CB 4.39Å
17V57.4Low53.3Low20 Ų2075.7 Ų75.712%0.12140%0.395CS..Hα-helixtrans-72.6-38.3174.8157.70000112.3L13 G14 L15 S20 R21 Y244 I253L13-V17 PolarHBondContact O-N 3.15Å; G14-V17 PolarHBondContact O-N 3.39Å; L15-V17 VanDerWaalsContact C-N 3.26Å; L15-V17 PolarHBondContact O-N 3.43Å; V17-S20 WeakPolarHBondContact CA-OG 3.4Å; V17-S20 PolarHBondContact O-N 3.02Å; V17-S20 PolarHBondContact O-OG 3.32Å; V17-R21 HydrophobicContact CG1-CG 4.43Å; V17-R21 WeakPolarHBondContact O-CB 3.22Å; V17-R21 WeakPolarHBondContact O-CG 3.17Å; V17-R21 PolarHBondContact O-N 2.92Å; V17-Y244 WeakPolarHBondContact CB-OH 3.49Å; V17-Y244 WeakPolarHBondContact CG2-OH 3.44Å; V17-I253 HydrophobicContact CG1-CD1 4.44Å; V17-I253 HydrophobicContact CG2-CD1 4.02Å
18F52.6Low51.9Low126 Ų12673.5 Ų73.555%0.55341%0.405SS*.Hα-helixtrans-60.9-45.8176.6-172.4-106.1000111.2G14 L15 R21 I22G14-F18 WeakPolarHBondContact O-CB 3.49Å; G14-F18 PolarHBondContact O-N 2.81Å; L15-F18 WeakPolarHBondContact O-CB 3.38Å; L15-F18 PolarHBondContact O-N 2.89Å; F18-R21 PolarHBondContact O-N 2.89Å; F18-I22 HydrophobicContact CD1-CD1 3.62Å; F18-I22 HydrophobicContact CE1-CD1 3.15Å; F18-I22 HydrophobicContact CE1-CG1 4.29Å; F18-I22 HydrophobicContact CE2-CD1 4.27Å; F18-I22 HydrophobicContact CG-CD1 4.37Å; F18-I22 HydrophobicContact CZ-CD1 3.53Å; F18-I22 HydrophobicContact CZ-CG1 4.42Å; F18-I22 WeakPolarHBondContact O-CG1 3.31Å; F18-I22 PolarHBondContact O-N 2.81Å
19I55.1Low50.5Low35 Ų3573.8 Ų73.818%0.17942%0.424CS..Hα-helixtrans-65.5-43.8176.9-52.2163.1000110.1L15 R21 I22 Q23 E260 L264L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.04Å; I19-R21 PolarHBondContact O-N 3.27Å; I19-R21 VanDerWaalsContact O-N 3.14Å; I19-I22 CarbonylContact O-C 3.59Å; I19-I22 PolarHBondContact O-N 3.4Å; I19-Q23 HydrophobicContact CG2-CG 4.2Å; I19-Q23 PolarHBondContact O-N 3.06Å; I19-E260 VanDerWaalsContact C-OE1 3.23Å; I19-E260 WeakPolarHBondContact CB-OE2 3.46Å; I19-E260 VanDerWaalsContact CG2-CD 3.45Å; I19-E260 WeakPolarHBondContact CG2-OE1 3.35Å; I19-E260 WeakPolarHBondContact CG2-OE2 3.45Å; I19-L264 HydrophobicContact CD1-CD1 3.96Å; I19-L264 HydrophobicContact CD1-CD2 4.04Å; I19-L264 HydrophobicContact CD1-CG 3.95Å
20S52.6Low49.1Very low45 Ų4581.5 Ų81.532%0.31546%0.46SS..Hα-helixtrans-60.6-30.4176.572.90000113.6C16 V17 G24 E260C16-S20 WeakPolarHBondContact O-CB 3.36Å; C16-S20 PolarHBondContact O-N 3.1Å; C16-S20 PolarHBondContact O-OG 3.08Å; V17-S20 WeakPolarHBondContact CA-OG 3.4Å; V17-S20 PolarHBondContact O-N 3.02Å; V17-S20 PolarHBondContact O-OG 3.32Å; S20-G24 PolarHBondContact O-N 2.95Å; S20-G24 VanDerWaalsContact O-N 3.12Å; S20-E260 WeakPolarHBondContact CA-OE1 3.39Å; S20-E260 PolarHBondContact N-OE1 3.2Å
21R53.5Low47.8Very low157 Ų15785.6 Ų85.659%0.59248%0.477SS*.Hα-helixtrans-75.4-36.5175-77.1-178.8178.7-171.31.2111.9V17 F18 I19 Q25V17-R21 HydrophobicContact CG1-CG 4.43Å; V17-R21 WeakPolarHBondContact O-CB 3.22Å; V17-R21 WeakPolarHBondContact O-CG 3.17Å; V17-R21 PolarHBondContact O-N 2.92Å; F18-R21 PolarHBondContact O-N 2.89Å; I19-R21 PolarHBondContact O-N 3.27Å; I19-R21 VanDerWaalsContact O-N 3.14Å; R21-Q25 PolarHBondContact O-N 2.77Å
22I47.4Very low46.8Very low61 Ų6187.9 Ų87.931%0.31349%0.49SS..Hα-helixtrans-72-45.7177.9-72.6179.1000110.5F18 I19 G24 Q25 L26F18-I22 HydrophobicContact CD1-CD1 3.62Å; F18-I22 HydrophobicContact CE1-CD1 3.15Å; F18-I22 HydrophobicContact CE1-CG1 4.29Å; F18-I22 HydrophobicContact CE2-CD1 4.27Å; F18-I22 HydrophobicContact CG-CD1 4.37Å; F18-I22 HydrophobicContact CZ-CD1 3.53Å; F18-I22 HydrophobicContact CZ-CG1 4.42Å; F18-I22 WeakPolarHBondContact O-CG1 3.31Å; F18-I22 PolarHBondContact O-N 2.81Å; I19-I22 CarbonylContact O-C 3.59Å; I19-I22 PolarHBondContact O-N 3.4Å; I22-G24 VanDerWaalsContact C-N 3.28Å; I22-G24 PolarHBondContact O-N 3.43Å; I22-Q25 CarbonylContact O-C 3.49Å; I22-Q25 WeakPolarHBondContact O-CA 3.48Å; I22-Q25 WeakPolarHBondContact O-CB 3.39Å; I22-Q25 PolarHBondContact O-N 2.94Å; I22-L26 HydrophobicContact CG2-CD1 3.68Å; I22-L26 PolarHBondContact O-N 3.43Å
23Q45.6Very low45.5Very low101 Ų10194 Ų9447%0.47252%0.518SS..Hα-helixtrans-62.7-36.8174.8-73.3-165.8-21.700111.6I19 Q25 L26 E260I19-Q23 HydrophobicContact CG2-CG 4.2Å; I19-Q23 PolarHBondContact O-N 3.06Å; Q23-Q25 PolarHBondContact O-N 3.14Å; Q23-L26 CarbonylContact O-C 3.4Å; Q23-L26 PolarHBondContact O-N 3.34Å; Q23-L26 VanDerWaalsContact O-N 3.1Å; Q23-E260 PolarHBondContact OE1-OE1 3.43Å
24G47.4Very low44.3Very low56 Ų5699.9 Ų99.958%0.57755%0.545SS*.THydrogen-bonded Turntrans-61-13.7170.200000114.7S20 I22S20-G24 PolarHBondContact O-N 2.95Å; S20-G24 VanDerWaalsContact O-N 3.12Å; I22-G24 VanDerWaalsContact C-N 3.28Å; I22-G24 PolarHBondContact O-N 3.43Å
25Q42.3Very low43.6Very low166 Ų166103.4 Ų103.478%0.77656%0.556SS**THydrogen-bonded Turntrans-106.9-16.5174.5-69.4-175-32.500113.6R21 I22 Q23R21-Q25 PolarHBondContact O-N 2.77Å; I22-Q25 CarbonylContact O-C 3.49Å; I22-Q25 WeakPolarHBondContact O-CA 3.48Å; I22-Q25 WeakPolarHBondContact O-CB 3.39Å; I22-Q25 PolarHBondContact O-N 2.94Å; Q23-Q25 PolarHBondContact O-N 3.14Å
26L30.4Very low42.7Very low129 Ų129107 Ų10768%0.67557%0.571SS**  trans-124.164.8-176.2-70.1167.2000109.3I22 Q23 G28I22-L26 HydrophobicContact CG2-CD1 3.68Å; I22-L26 PolarHBondContact O-N 3.43Å; Q23-L26 CarbonylContact O-C 3.4Å; Q23-L26 PolarHBondContact O-N 3.34Å; Q23-L26 VanDerWaalsContact O-N 3.1Å; L26-G28 PolarHBondContact O-N 3.14Å
27I33.7Very low41.6Very low165 Ų165113.2 Ų113.285%0.84660%0.598SS**  trans-86.198.4166.7-54.6176.3000106.6
28G28Very low41.1Very low79 Ų79117.9 Ų117.981%0.81462%0.619SS**  trans148.987173.500000111.8L26L26-G28 PolarHBondContact O-N 3.14Å
29G29Very low40.7Very low67 Ų67116.8 Ų116.869%0.69162%0.615SS**  trans-171.9124.5171.700000109.8
30E31.9Very low40.2Very low174 Ų174122.5 Ų122.581%0.81364%0.641SS**  trans-54.7124.4-175.8-70.5140.3164.100112.5
31E35.9Very low39.9Very low154 Ų154127.7 Ų127.772%0.7266%0.661SS**  trans-99.42.8174.2-82.7-174.1168.400112.7
32D35.7Very low39.7Very low144 Ų144124.2 Ų124.277%0.7765%0.651SS**SBendtrans-94.1-15.1-170.3-65.7-29.7000114.7
33E35.2Very low39.8Very low154 Ų154128.9 Ų128.972%0.7267%0.671SS**SBendtrans-91.7-26.4-178-71.5-171173.300114.2D35E33-D35 VanDerWaalsContact C-N 3.32Å; E33-D35 PolarHBondContact O-N 3.33Å
34E40.7Very low39.9Very low142 Ų142132 Ų13266%0.66469%0.686SS**Hα-helixtrans-68.1-30-179.7-71.2-174.5170.500112.5E36 E38E34-E36 PolarHBondContact O-N 3.39Å; E34-E38 PolarHBondContact O-N 3.04Å
35D42Very low40.1Very low105 Ų105134 Ų13456%0.56169%0.691SS**Hα-helixtrans-70-28-178.2-83.4-16.9000113.2E33 E39E33-D35 VanDerWaalsContact C-N 3.32Å; E33-D35 PolarHBondContact O-N 3.33Å; D35-E39 WeakPolarHBondContact O-CG 3.42Å
36E38.7Very low40.8Very low149 Ų149127.9 Ų127.970%0.69667%0.665SS**Hα-helixtrans-80.7-39.4179.3-71.2-168.6174.700112E34 E39 E40E34-E36 PolarHBondContact O-N 3.39Å; E36-E39 PolarHBondContact O-N 3.4Å; E36-E40 PolarHBondContact O-N 3.33Å
37E38.5Very low42.2Very low148 Ų148130.6 Ų130.669%0.69267%0.674SS**Hα-helixtrans-66.7-37.7176.4-69.6-169.2167.900111.8E39 E40 E41E37-E39 VanDerWaalsContact C-N 3.25Å; E37-E39 PolarHBondContact O-N 2.94Å; E37-E40 PolarHBondContact O-N 2.99Å; E37-E41 PolarHBondContact O-N 3.16Å
38E46.1Very low43.9Very low118 Ų118130.6 Ų130.655%0.55168%0.676SS**Hα-helixtrans-63.1-29.7172.9-76.5-168.5173.900112.5E34 E42E34-E38 PolarHBondContact O-N 3.04Å; E38-E42 WeakPolarHBondContact O-CB 3.26Å; E38-E42 WeakPolarHBondContact O-CG 3.44Å; E38-E42 PolarHBondContact O-N 3.49Å
39E46Very low46.1Very low103 Ų103129.3 Ų129.348%0.48165%0.649SS.*Hα-helixtrans-69.4-40176.8-79.2-168.5170.600112.8D35 E36 E37 E43 K61D35-E39 WeakPolarHBondContact O-CG 3.42Å; E36-E39 PolarHBondContact O-N 3.4Å; E37-E39 VanDerWaalsContact C-N 3.25Å; E37-E39 PolarHBondContact O-N 2.94Å; E39-E43 PolarHBondContact O-N 3.22Å; E39-K61 IonicContact OE1-NZ 3.4Å; E39-K61 PolarHBondContact OE1-NZ 3.32Å
40E44Very low48.6Very low155 Ų155129.1 Ų129.172%0.72464%0.635SS**Hα-helixtrans-70.2-41.1178.2-66.1-165.6167.500111.8E36 E37 E43 E44E36-E40 PolarHBondContact O-N 3.33Å; E37-E40 PolarHBondContact O-N 2.99Å; E40-E43 PolarHBondContact O-N 2.75Å; E40-E44 PolarHBondContact O-N 3.22Å
41E45.3Very low50.8Low155 Ų155125.6 Ų125.672%0.72463%0.627SS**Hα-helixtrans-69.9-35.7178.2-69.3-163.9167.900112.9E37 S45E37-E41 PolarHBondContact O-N 3.16Å; E41-S45 PolarHBondContact O-OG 3.07Å
42E49.5Very low53Low84 Ų84125.9 Ų125.939%0.39363%0.628SS.*Hα-helixtrans-70.4-28.6174.7-83.3-160.8176.600112.8E38 V46 R57E38-E42 WeakPolarHBondContact O-CB 3.26Å; E38-E42 WeakPolarHBondContact O-CG 3.44Å; E38-E42 PolarHBondContact O-N 3.49Å; E42-V46 WeakPolarHBondContact O-CG2 3.3Å; E42-R57 IonicContact OE2-CZ 3.57Å; E42-R57 IonicContact OE2-NH1 3.53Å; E42-R57 PolarHBondContact OE2-NH1 3.3Å
43E49.5Very low55Low158 Ų158121.9 Ų121.974%0.73861%0.607SS**Hα-helixtrans-74.5-33.3177.2-75.9-160.1166.600112.8E39 E40E39-E43 PolarHBondContact O-N 3.22Å; E40-E43 PolarHBondContact O-N 2.75Å
44E48.9Very low57Low167 Ų167120.9 Ų120.978%0.7860%0.596SS**Hα-helixtrans-72.5-29.8178.9-78.6-163.2156.900113.7E40 V46E40-E44 PolarHBondContact O-N 3.22Å; E44-V46 VanDerWaalsContact C-N 3.3Å; E44-V46 PolarHBondContact O-N 2.88Å
45S51.1Low59Low97 Ų97119.2 Ų119.268%0.67859%0.591SS**THydrogen-bonded Turntrans-83.43.1-172.6620000115.4E41E41-S45 PolarHBondContact O-OG 3.07Å
46V56.5Low61.1Low39 Ų39117.9 Ų117.924%0.23658%0.582CS.*  trans-124.347.9-165.1-163.20000112.2E42 E44 D48 E49E42-V46 WeakPolarHBondContact O-CG2 3.3Å; E44-V46 VanDerWaalsContact C-N 3.3Å; E44-V46 PolarHBondContact O-N 2.88Å; V46-D48 PolarHBondContact O-N 3.43Å; V46-E49 HydrophobicContact CG1-CB 3.36Å; V46-E49 HydrophobicContact CG1-CG 3.15Å; V46-E49 WeakPolarHBondContact CG1-OE2 3.41Å
47E59.8Low63.2Low186 Ų186114.7 Ų114.787%0.86956%0.563SS**THydrogen-bonded Turntrans-64.7-20.4177.3-66.6-168.5152.900113.2
48D70.1Confident65.5Low165 Ų165114.8 Ų114.888%0.88256%0.561SS**THydrogen-bonded Turntrans-106.55.3-174-78.5-29.1000115.5V46V46-D48 PolarHBondContact O-N 3.43Å
49E73.1Confident67.7Low51 Ų51111.9 Ų111.924%0.23855%0.55CS..  trans-75133.9179.5-94.9-175.8174.300114V46 D53 R54 R57V46-E49 HydrophobicContact CG1-CB 3.36Å; V46-E49 HydrophobicContact CG1-CG 3.15Å; V46-E49 WeakPolarHBondContact CG1-OE2 3.41Å; E49-D53 HydrophobicContact CB-CB 4.36Å; E49-D53 HydrophobicContact CG-CB 3.92Å; E49-R54 HydrophobicContact CB-CG 3.99Å; E49-R54 PolarHBondContact O-NH2 3.23Å; E49-R54 WeakPolarHBondContact OE2-CG 3.41Å; E49-R57 IonicContact OE2-NE 3.62Å
50T81.4Confident69.9Low64 Ų64108.4 Ų108.439%0.39353%0.534SS..  trans-65.7154.9168.675.80000110.9E52 D53 R54T50-E52 PolarHBondContact O-N 2.66Å; T50-D53 WeakPolarHBondContact CB-OD2 3.3Å; T50-D53 PolarHBondContact O-N 3.01Å; T50-D53 PolarHBondContact OG1-N 3.31Å; T50-D53 VanDerWaalsContact OG1-N 3.17Å; T50-D53 PolarHBondContact OG1-OD2 3.11Å; T50-R54 PolarHBondContact O-N 2.77Å; T50-R54 VanDerWaalsContact O-N 3.07Å
51P79.3Confident72.1Confident100 Ų100105.2 Ų105.265%0.64952%0.518SS*.Hα-helixtrans-58.2-29.4174-25.835.3000113.8L55P51-L55 WeakPolarHBondContact O-CB 3.28Å; P51-L55 PolarHBondContact O-N 3.45Å; P51-L55 VanDerWaalsContact O-N 3.08Å
52E81Confident74.4Confident159 Ų159101.8 Ų101.874%0.74350%0.502SS*.Hα-helixtrans-70.5-42.9177.3-66.3-177.8179.400111.4T50 L55 Q56T50-E52 PolarHBondContact O-N 2.66Å; E52-L55 PolarHBondContact O-N 2.86Å; E52-Q56 WeakPolarHBondContact O-CB 3.37Å; E52-Q56 PolarHBondContact O-N 3.28Å
53D78.5Confident76.6Confident61 Ų6198 Ų9833%0.32648%0.484SS..Hα-helixtrans-63.3-45175.9-64.1-46.4000110.8E49 T50 L55 Q56 R57E49-D53 HydrophobicContact CB-CB 4.36Å; E49-D53 HydrophobicContact CG-CB 3.92Å; T50-D53 WeakPolarHBondContact CB-OD2 3.3Å; T50-D53 PolarHBondContact O-N 3.01Å; T50-D53 PolarHBondContact OG1-N 3.31Å; T50-D53 VanDerWaalsContact OG1-N 3.17Å; T50-D53 PolarHBondContact OG1-OD2 3.11Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.88Å; D53-Q56 PolarHBondContact O-N 2.87Å; D53-Q56 VanDerWaalsContact O-N 3.12Å; D53-R57 WeakPolarHBondContact O-CB 3.43Å; D53-R57 PolarHBondContact O-N 3.06Å
54R77.5Confident78.7Confident133 Ų13391.1 Ų91.150%0.50245%0.454SS..Hα-helixtrans-57.5-44.3174.3-83.6-176-81.5-163-14.1112.8E49 T50 Q56 R57 K58E49-R54 HydrophobicContact CB-CG 3.99Å; E49-R54 PolarHBondContact O-NH2 3.23Å; E49-R54 WeakPolarHBondContact OE2-CG 3.41Å; T50-R54 PolarHBondContact O-N 2.77Å; T50-R54 VanDerWaalsContact O-N 3.07Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; R54-R57 PolarHBondContact O-N 2.93Å; R54-K58 WeakPolarHBondContact O-CB 3.48Å; R54-K58 PolarHBondContact O-N 3.23Å
55L83.3Confident80.8Confident106 Ų10688.2 Ų88.256%0.55545%0.447SS*.Hα-helixtrans-65.9-39.4177.2-179.862.1000111.5P51 E52 D53 N59P51-L55 WeakPolarHBondContact O-CB 3.28Å; P51-L55 PolarHBondContact O-N 3.45Å; P51-L55 VanDerWaalsContact O-N 3.08Å; E52-L55 PolarHBondContact O-N 2.86Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.88Å; L55-N59 WeakPolarHBondContact O-CB 3.08Å; L55-N59 PolarHBondContact O-N 3.14Å; L55-N59 PolarHBondContact O-ND2 3.17Å
56Q84.7Confident83Confident77 Ų7785 Ų8536%0.3642%0.423SS..Hα-helixtrans-64.4-47.6176.1-178.71674500111.2E52 D53 R54 K58 N59 I60E52-Q56 WeakPolarHBondContact O-CB 3.37Å; E52-Q56 PolarHBondContact O-N 3.28Å; D53-Q56 PolarHBondContact O-N 2.87Å; D53-Q56 VanDerWaalsContact O-N 3.12Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.42Å; Q56-N59 PolarHBondContact O-N 2.98Å; Q56-I60 HydrophobicContact CG-CD1 3.88Å; Q56-I60 WeakPolarHBondContact O-CG1 3.35Å; Q56-I60 PolarHBondContact O-N 3.3Å
57R83.7Confident84.9Confident82 Ų8284.8 Ų84.831%0.30942%0.423SS..Hα-helixtrans-58-48.6176.7-174.1173.667.291.4-2.4111.2E42 E49 D53 R54 N59 I60 K61E42-R57 IonicContact OE2-CZ 3.57Å; E42-R57 IonicContact OE2-NH1 3.53Å; E42-R57 PolarHBondContact OE2-NH1 3.3Å; E49-R57 IonicContact OE2-NE 3.62Å; D53-R57 WeakPolarHBondContact O-CB 3.43Å; D53-R57 PolarHBondContact O-N 3.06Å; R54-R57 PolarHBondContact O-N 2.93Å; R57-N59 VanDerWaalsContact C-N 3.3Å; R57-N59 PolarHBondContact O-N 3.2Å; R57-I60 PolarHBondContact O-N 3.35Å; R57-I60 VanDerWaalsContact O-N 3.16Å; R57-K61 PolarHBondContact O-N 3.17Å
58K86.9Confident86.7Confident151 Ų15176 Ų7666%0.65738%0.381SS*.Hα-helixtrans-57.9-41.6175.9-174.7171.6-176.3165.90112.5R54 Q56 Q62R54-K58 WeakPolarHBondContact O-CB 3.48Å; R54-K58 PolarHBondContact O-N 3.23Å; Q56-K58 PolarHBondContact O-N 3.42Å; K58-Q62 WeakPolarHBondContact O-CB 3.32Å; K58-Q62 PolarHBondContact O-N 2.88Å
59N92.1Very high88Confident57 Ų5770.1 Ų70.131%0.30535%0.35SS..Hα-helixtrans-65.9-41.6176.8-82.9-44.9000112.5L55 Q56 R57 Q62 D63 K74L55-N59 WeakPolarHBondContact O-CB 3.08Å; L55-N59 PolarHBondContact O-N 3.14Å; L55-N59 PolarHBondContact O-ND2 3.17Å; Q56-N59 PolarHBondContact O-N 2.98Å; R57-N59 VanDerWaalsContact C-N 3.3Å; R57-N59 PolarHBondContact O-N 3.2Å; N59-Q62 PolarHBondContact O-N 3.34Å; N59-D63 VanDerWaalsContact O-CB 3.3Å; N59-D63 WeakPolarHBondContact O-CB 3.23Å; N59-D63 PolarHBondContact O-N 2.94Å; N59-K74 PolarHBondContact OD1-NZ 3.33Å
60I91.9Very high89.2Confident30 Ų3073.4 Ų73.415%0.15436%0.364CS..Hα-helixtrans-63.4-48.1176.6-71.8164.2000110.8Q56 R57 Q62 D63 S64 K293 P296 V297Q56-I60 HydrophobicContact CG-CD1 3.88Å; Q56-I60 WeakPolarHBondContact O-CG1 3.35Å; Q56-I60 PolarHBondContact O-N 3.3Å; R57-I60 PolarHBondContact O-N 3.35Å; R57-I60 VanDerWaalsContact O-N 3.16Å; I60-Q62 VanDerWaalsContact C-N 3.33Å; I60-Q62 PolarHBondContact O-N 3.47Å; I60-D63 PolarHBondContact O-N 3.08Å; I60-S64 WeakPolarHBondContact O-CB 3.24Å; I60-S64 PolarHBondContact O-N 2.63Å; I60-S64 PolarHBondContact O-OG 2.91Å; I60-K293 HydrophobicContact CD1-CB 4.5Å; I60-K293 WeakPolarHBondContact CD1-O 3.46Å; I60-P296 HydrophobicContact CG2-CB 3.91Å; I60-P296 HydrophobicContact CG2-CG 4.21Å; I60-V297 HydrophobicContact CB-CG2 4.38Å; I60-V297 HydrophobicContact CG1-CG2 4.49Å; I60-V297 HydrophobicContact CG2-CG2 3.97Å
61K90.7Very high90Very high87 Ų8770.4 Ų70.438%0.37835%0.345SS..Hα-helixtrans-56.7-49.8177.6-171.4175.3-174.6-179.90110E39 R57 S64 T65E39-K61 IonicContact OE1-NZ 3.4Å; E39-K61 PolarHBondContact OE1-NZ 3.32Å; R57-K61 PolarHBondContact O-N 3.17Å; K61-S64 PolarHBondContact O-N 3.28Å; K61-S64 PolarHBondContact O-OG 3.21Å; K61-T65 PolarHBondContact O-OG1 2.9Å
62Q94Very high90.9Very high83 Ų8365.7 Ų65.739%0.38831%0.314SS..Hα-helixtrans-63.1-46.1178.9-167.6-177.529.800112.7K58 N59 I60 S64 T65 L66 K74K58-Q62 WeakPolarHBondContact O-CB 3.32Å; K58-Q62 PolarHBondContact O-N 2.88Å; N59-Q62 PolarHBondContact O-N 3.34Å; I60-Q62 VanDerWaalsContact C-N 3.33Å; I60-Q62 PolarHBondContact O-N 3.47Å; Q62-S64 PolarHBondContact O-N 3.09Å; Q62-T65 PolarHBondContact O-N 3.28Å; Q62-T65 PolarHBondContact O-OG1 3.22Å; Q62-T65 VanDerWaalsContact O-OG1 3.07Å; Q62-L66 HydrophobicContact CG-CD1 3.83Å; Q62-L66 HydrophobicContact CG-CG 4.02Å; Q62-L66 WeakPolarHBondContact O-CG 3.45Å; Q62-L66 PolarHBondContact O-N 2.86Å; Q62-L66 VanDerWaalsContact O-N 3.11Å; Q62-K74 HydrophobicContact CG-CD 4.49Å
63D95.6Very high91.7Very high4 Ų460.6 Ų60.62%0.02130%0.3CS..Hα-helixtrans-65.2-29.2-178.4-76.65000112.7N59 I60 T65 L71 K74 Y75 V297 H301N59-D63 VanDerWaalsContact O-CB 3.3Å; N59-D63 WeakPolarHBondContact O-CB 3.23Å; N59-D63 PolarHBondContact O-N 2.94Å; I60-D63 PolarHBondContact O-N 3.08Å; D63-T65 VanDerWaalsContact C-N 3.28Å; D63-T65 PolarHBondContact O-N 3.48Å; D63-L71 HydrophobicContact CB-CD1 3.92Å; D63-L71 WeakPolarHBondContact OD1-CD1 3.41Å; D63-K74 WeakPolarHBondContact OD1-CD 3.44Å; D63-K74 WeakPolarHBondContact OD1-CE 3.25Å; D63-K74 IonicContact OD1-NZ 3.64Å; D63-K74 PolarHBondContact OD1-NZ 3.38Å; D63-Y75 PolarHBondContact OD2-OH 2.96Å; D63-V297 HydrophobicContact CB-CG1 3.86Å; D63-V297 HydrophobicContact CB-CG2 3.91Å; D63-H301 PolarHBondContact O-NE2 2.02Å
64S92.5Very high92.6Very high15 Ų1560.7 Ų60.711%0.10530%0.297CS..Hα-helixtrans-72.3-18.7178.374.40000113.9I60 K61 Q62 P296 G300I60-S64 WeakPolarHBondContact O-CB 3.24Å; I60-S64 PolarHBondContact O-N 2.63Å; I60-S64 PolarHBondContact O-OG 2.91Å; K61-S64 PolarHBondContact O-N 3.28Å; K61-S64 PolarHBondContact O-OG 3.21Å; Q62-S64 PolarHBondContact O-N 3.09Å; S64-P296 WeakPolarHBondContact CB-O 3.42Å; S64-G300 VanDerWaalsContact O-CA 3.27Å; S64-G300 WeakPolarHBondContact O-CA 3.2Å
65T93.3Very high93.6Very high105 Ų10557.7 Ų57.764%0.64429%0.286SS*.Hα-helixtrans-111.3-26.4-174.754.80000113.9K61 Q62 D63K61-T65 PolarHBondContact O-OG1 2.9Å; Q62-T65 PolarHBondContact O-N 3.28Å; Q62-T65 PolarHBondContact O-OG1 3.22Å; Q62-T65 VanDerWaalsContact O-OG1 3.07Å; D63-T65 VanDerWaalsContact C-N 3.28Å; D63-T65 PolarHBondContact O-N 3.48Å
66L96.4Very high94.2Very high31 Ų3156 Ų5616%0.16230%0.295CS..SBendtrans-64.9136.1-179.2-74.1-179.6000112.8Q62 K70 L71 K74 H301Q62-L66 HydrophobicContact CG-CD1 3.83Å; Q62-L66 HydrophobicContact CG-CG 4.02Å; Q62-L66 WeakPolarHBondContact O-CG 3.45Å; Q62-L66 PolarHBondContact O-N 2.86Å; Q62-L66 VanDerWaalsContact O-N 3.11Å; L66-K70 HydrophobicContact CB-CB 4.24Å; L66-K70 HydrophobicContact CD2-CB 3.94Å; L66-K70 HydrophobicContact CD2-CD 4.18Å; L66-K70 HydrophobicContact CG-CB 4.48Å; L66-L71 HydrophobicContact CB-CB 4.26Å; L66-K74 HydrophobicContact CD1-CB 4.1Å; L66-K74 HydrophobicContact CD1-CD 3.79Å; L66-K74 HydrophobicContact CD1-CG 4.46Å; L66-H301 PolarHBondContact O-CE1 2.96Å
67S96.6Very high94.9Very high34 Ų3454.6 Ų54.624%0.23829%0.287CS..  trans-59.2154.2166.3600000111.2D69 K70 L71S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 WeakPolarHBondContact CB-OD1 3.5Å; S67-D69 PolarHBondContact O-N 3.3Å; S67-D69 PolarHBondContact OG-OD1 2.79Å; S67-K70 CarbonylContact O-C 3.58Å; S67-K70 PolarHBondContact O-N 2.85Å; S67-K70 WeakPolarHBondContact OG-CD 3.35Å; S67-K70 WeakPolarHBondContact OG-CG 3.44Å; S67-L71 PolarHBondContact O-N 2.92Å
68V98.1Very high95.6Very high0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-55.5-41-173.71660000112.5L71 I72 H95 A116 V119 L140 Y148V68-L71 PolarHBondContact O-N 3.16Å; V68-I72 HydrophobicContact CG1-CD1 3.71Å; V68-I72 HydrophobicContact CG1-CG1 4.45Å; V68-I72 WeakPolarHBondContact O-CB 3.41Å; V68-I72 WeakPolarHBondContact O-CD1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.47Å; V68-I72 PolarHBondContact O-N 2.94Å; V68-H95 HydrophobicContact CG1-CB 3.82Å; V68-A116 HydrophobicContact CG2-CB 3.54Å; V68-V119 HydrophobicContact CG1-CG2 4.07Å; V68-V119 HydrophobicContact CG2-CG2 4.37Å; V68-L140 HydrophobicContact CG1-CD1 4.15Å; V68-Y148 HydrophobicContact CG2-CE2 4.11Å; V68-Y148 WeakPolarHBondContact CG2-OH 3.49Å
69D98.2Very high96.1Very high42 Ų4250 Ų5023%0.22528%0.275CS..Hα-helixtrans-61.5-43.2176.161.7-57.3000112.7S67 A73 S79 V81S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 WeakPolarHBondContact CB-OD1 3.5Å; S67-D69 PolarHBondContact O-N 3.3Å; S67-D69 PolarHBondContact OG-OD1 2.79Å; D69-A73 WeakPolarHBondContact O-CB 3.38Å; D69-A73 PolarHBondContact O-N 2.92Å; D69-S79 WeakPolarHBondContact CA-OG 3.47Å; D69-S79 WeakPolarHBondContact O-CB 3.17Å; D69-S79 PolarHBondContact O-OG 3.16Å; D69-V81 HydrophobicContact CB-CG2 3.49Å; D69-V81 VanDerWaalsContact CB-CG2 3.49Å
70K98.4Very high96.4Very high121 Ų12149.4 Ų49.453%0.52627%0.27SS..Hα-helixtrans-70.9-35.9177.4-64.9178.3-175.2175.80111.6L66 S67 A73 K74L66-K70 HydrophobicContact CB-CB 4.24Å; L66-K70 HydrophobicContact CD2-CB 3.94Å; L66-K70 HydrophobicContact CD2-CD 4.18Å; L66-K70 HydrophobicContact CG-CB 4.48Å; S67-K70 CarbonylContact O-C 3.58Å; S67-K70 PolarHBondContact O-N 2.85Å; S67-K70 WeakPolarHBondContact OG-CD 3.35Å; S67-K70 WeakPolarHBondContact OG-CG 3.44Å; K70-A73 PolarHBondContact O-N 2.87Å; K70-K74 WeakPolarHBondContact O-CB 3.38Å; K70-K74 PolarHBondContact O-N 2.88Å
71L97.8Very high96.7Very high1 Ų150.7 Ų50.71%0.00528%0.28CS..Hα-helixtrans-63.6-46175.4-175.461.9000110.8D63 L66 S67 V68 A73 K74 Y75 V119D63-L71 HydrophobicContact CB-CD1 3.92Å; D63-L71 WeakPolarHBondContact OD1-CD1 3.41Å; L66-L71 HydrophobicContact CB-CB 4.26Å; S67-L71 PolarHBondContact O-N 2.92Å; V68-L71 PolarHBondContact O-N 3.16Å; L71-A73 VanDerWaalsContact C-N 3.35Å; L71-A73 PolarHBondContact O-N 2.97Å; L71-K74 WeakPolarHBondContact O-CB 3.45Å; L71-K74 PolarHBondContact O-N 2.93Å; L71-Y75 HydrophobicContact CD1-CD2 4.15Å; L71-Y75 HydrophobicContact CD1-CE2 3.68Å; L71-Y75 HydrophobicContact CG-CD2 4.37Å; L71-Y75 HydrophobicContact CG-CE2 4.25Å; L71-Y75 VanDerWaalsContact O-CD2 3.23Å; L71-Y75 WeakPolarHBondContact O-CD2 3.39Å; L71-Y75 PolarHBondContact O-N 3.18Å; L71-V119 HydrophobicContact CD2-CG2 4.12Å
72I98.6Very high97.1Very high0 Ų048 Ų480%027%0.268CS..Hα-helixtrans-58.7-47.4173.9-70.2162.5000110.6V68 Y75 Y77 H95 I97 V119 Y129 L140V68-I72 HydrophobicContact CG1-CD1 3.71Å; V68-I72 HydrophobicContact CG1-CG1 4.45Å; V68-I72 WeakPolarHBondContact O-CB 3.41Å; V68-I72 WeakPolarHBondContact O-CD1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.47Å; V68-I72 PolarHBondContact O-N 2.94Å; I72-Y75 PolarHBondContact O-N 3.05Å; I72-Y77 PolarHBondContact O-N 3.26Å; I72-H95 HydrophobicContact CD1-CB 4.5Å; I72-I97 HydrophobicContact CD1-CD1 4.4Å; I72-I97 HydrophobicContact CD1-CG1 3.86Å; I72-I97 HydrophobicContact CG1-CD1 4.34Å; I72-I97 HydrophobicContact CG1-CG1 4.18Å; I72-I97 HydrophobicContact CG2-CD1 4.37Å; I72-I97 HydrophobicContact CG2-CG1 3.82Å; I72-V119 HydrophobicContact CD1-CG1 4.26Å; I72-V119 HydrophobicContact CG1-CG1 4.04Å; I72-Y129 HydrophobicContact CG1-CE1 4.3Å; I72-L140 HydrophobicContact CD1-CD1 3.87Å
73A98.2Very high97.4Very high53 Ų5350 Ų5044%0.43828%0.277SS..Hα-helixtrans-64.6-39.918000000112.7D69 K70 L71 Y75 G76D69-A73 WeakPolarHBondContact O-CB 3.38Å; D69-A73 PolarHBondContact O-N 2.92Å; K70-A73 PolarHBondContact O-N 2.87Å; L71-A73 VanDerWaalsContact C-N 3.35Å; L71-A73 PolarHBondContact O-N 2.97Å; A73-Y75 PolarHBondContact O-N 3.32Å; A73-G76 PolarHBondContact O-N 2.87Å
74K97.3Very high97.5Very high62 Ų6250.1 Ų50.127%0.2728%0.278SS..Hα-helixtrans-53.5-40.7174174.9-172.4168.1175.30111.1N59 Q62 D63 L66 K70 L71 G76N59-K74 PolarHBondContact OD1-NZ 3.33Å; Q62-K74 HydrophobicContact CG-CD 4.49Å; D63-K74 WeakPolarHBondContact OD1-CD 3.44Å; D63-K74 WeakPolarHBondContact OD1-CE 3.25Å; D63-K74 IonicContact OD1-NZ 3.64Å; D63-K74 PolarHBondContact OD1-NZ 3.38Å; L66-K74 HydrophobicContact CD1-CB 4.1Å; L66-K74 HydrophobicContact CD1-CD 3.79Å; L66-K74 HydrophobicContact CD1-CG 4.46Å; K70-K74 WeakPolarHBondContact O-CB 3.38Å; K70-K74 PolarHBondContact O-N 2.88Å; L71-K74 WeakPolarHBondContact O-CB 3.45Å; L71-K74 PolarHBondContact O-N 2.93Å; K74-G76 PolarHBondContact O-N 3.18Å
75Y96.8Very high97.8Very high70 Ų7053.3 Ų53.328%0.27530%0.297SS..THydrogen-bonded Turntrans-80.89.2179.5-75.7-61.9000114.7D63 L71 I72 A73 Y77 P123 Y129D63-Y75 PolarHBondContact OD2-OH 2.96Å; L71-Y75 HydrophobicContact CD1-CD2 4.15Å; L71-Y75 HydrophobicContact CD1-CE2 3.68Å; L71-Y75 HydrophobicContact CG-CD2 4.37Å; L71-Y75 HydrophobicContact CG-CE2 4.25Å; L71-Y75 VanDerWaalsContact O-CD2 3.23Å; L71-Y75 WeakPolarHBondContact O-CD2 3.39Å; L71-Y75 PolarHBondContact O-N 3.18Å; I72-Y75 PolarHBondContact O-N 3.05Å; A73-Y75 PolarHBondContact O-N 3.32Å; Y75-Y77 WeakPolarHBondContact O-CD2 3.48Å; Y75-Y77 WeakPolarHBondContact O-CE2 3.33Å; Y75-P123 HydrophobicContact CD1-CG 3.42Å; Y75-P123 VanDerWaalsContact CD1-CG 3.42Å; Y75-P123 HydrophobicContact CD2-CG 4.34Å; Y75-P123 VanDerWaalsContact CE1-CD 3.49Å; Y75-P123 HydrophobicContact CE1-CG 4.07Å; Y75-P123 HydrophobicContact CG-CG 3.57Å; Y75-Y129 WeakPolarHBondContact CD2-OH 3.47Å
76G97.4Very high98.1Very high72 Ų7248.7 Ų48.774%0.74227%0.269SS*.THydrogen-bonded Turntrans84.413.1172.400000114.8A73 K74A73-G76 PolarHBondContact O-N 2.87Å; K74-G76 PolarHBondContact O-N 3.18Å
77Y98.4Very high98.2Very high47 Ų4753.4 Ų53.418%0.18429%0.29CS..  trans-94.8145.6177.1-67.4-99000111.3I72 Y75 S79 I97 P123 Y129 A132 D133I72-Y77 PolarHBondContact O-N 3.26Å; Y75-Y77 WeakPolarHBondContact O-CD2 3.48Å; Y75-Y77 WeakPolarHBondContact O-CE2 3.33Å; Y77-S79 PolarHBondContact O-N 3.48Å; Y77-I97 HydrophobicContact CD1-CG2 3.67Å; Y77-I97 HydrophobicContact CG-CG2 4.12Å; Y77-P123 HydrophobicContact CE2-CB 4.44Å; Y77-P123 HydrophobicContact CE2-CG 4.14Å; Y77-Y129 HydrophobicContact CD1-CD1 4.12Å; Y77-Y129 AromaticContact CD2-CD1 3.55Å; Y77-Y129 HydrophobicContact CD2-CD1 3.55Å; Y77-Y129 AromaticContact CD2-CE1 3.57Å; Y77-Y129 HydrophobicContact CD2-CE1 3.57Å; Y77-Y129 AromaticContact CE1-CD1 3.9Å; Y77-Y129 HydrophobicContact CE1-CD1 3.9Å; Y77-Y129 AromaticContact CE2-CD1 3.33Å; Y77-Y129 HydrophobicContact CE2-CD1 3.33Å; Y77-Y129 AromaticContact CE2-CE1 3.74Å; Y77-Y129 HydrophobicContact CE2-CE1 3.74Å; Y77-Y129 HydrophobicContact CE2-CG 4.14Å; Y77-Y129 AromaticContact CG-CD1 3.96Å; Y77-Y129 HydrophobicContact CG-CD1 3.96Å; Y77-Y129 HydrophobicContact CG-CE1 4.1Å; Y77-Y129 AromaticContact CZ-CD1 3.51Å; Y77-A132 HydrophobicContact CD1-CB 4.26Å; Y77-A132 HydrophobicContact CE1-CB 4.12Å; Y77-D133 PolarHBondContact OH-OD1 3.13Å
78E98.2Very high98.3Very high102 Ų10254.4 Ų54.448%0.47729%0.293SS..  trans-69.4117.9173-168.8179.8166.500109.4I97 R98E78-I97 CarbonylContact O-C 3.59Å; E78-I97 WeakPolarHBondContact O-CA 3.49Å; E78-R98 HydrophobicContact CB-CB 4.27Å; E78-R98 HydrophobicContact CG-CB 4.07Å; E78-R98 PolarHBondContact O-N 2.84Å; E78-R98 WeakPolarHBondContact OE1-CD 3.42Å; E78-R98 IonicContact OE1-CZ 3.34Å; E78-R98 VanDerWaalsContact OE1-CZ 3.3Å; E78-R98 IonicContact OE1-NE 3.18Å; E78-R98 IonicContact OE1-NH1 3.45Å; E78-R98 PolarHBondContact OE1-NH1 3.29Å
79S98.2Very high98.3Very high34 Ų3454.8 Ų54.824%0.23830%0.296CS..EExtended strand (participates in β ladder)trans-115134.6-171.4-169.10000110.7D69 Y77 R96D69-S79 WeakPolarHBondContact CA-OG 3.47Å; D69-S79 WeakPolarHBondContact O-CB 3.17Å; D69-S79 PolarHBondContact O-OG 3.16Å; Y77-S79 PolarHBondContact O-N 3.48Å; S79-R96 WeakPolarHBondContact CA-O 3.2Å
80E98.5Very high98.3Very high44 Ų4453.2 Ų53.221%0.20629%0.287CS..EExtended strand (participates in β ladder)trans-130150.6171.8-59.8-178.9164.300111.1H82 H95 R96 R98E80-H82 IonicContact OE2-CD2 2.66Å; E80-H82 IonicContact OE2-CE1 2.84Å; E80-H82 IonicContact OE2-NE2 3.63Å; E80-H82 PolarHBondContact OE2-NE2 3.28Å; E80-H95 CarbonylContact O-C 3.57Å; E80-R96 HydrophobicContact CB-CB 4.23Å; E80-R96 PolarHBondContact N-O 3.31Å; E80-R96 PolarHBondContact O-N 3.44Å; E80-R96 IonicContact OE1-NH1 3.56Å; E80-R96 VanDerWaalsContact OE2-CD 3.3Å; E80-R96 WeakPolarHBondContact OE2-CD 3.4Å; E80-R96 IonicContact OE2-CZ 3.76Å; E80-R96 IonicContact OE2-NE 3.75Å; E80-R96 IonicContact OE2-NH1 2.96Å; E80-R96 PolarHBondContact OE2-NH1 3.05Å; E80-R98 VanDerWaalsContact CD-CD 3.46Å; E80-R98 HydrophobicContact CG-CB 4.42Å; E80-R98 WeakPolarHBondContact OE1-CD 3.44Å; E80-R98 IonicContact OE1-CZ 2.69Å; E80-R98 IonicContact OE1-NE 3.22Å; E80-R98 IonicContact OE1-NH1 2.63Å; E80-R98 PolarHBondContact OE1-NH1 3.15Å
81V98.8Very high98.3Very high58 Ų5848.9 Ų48.935%0.35227%0.27SS..EExtended strand (participates in β ladder)trans-114.5131.1171.4-175.50000108.8D69 T93D69-V81 HydrophobicContact CB-CG2 3.49Å; D69-V81 VanDerWaalsContact CB-CG2 3.49Å; V81-T93 HydrophobicContact CG1-CG2 3.62Å
82H98.8Very high98.4Very high31 Ų3148.9 Ų48.914%0.14427%0.27CS..EExtended strand (participates in β ladder)trans-123.5141178.7-69.4-107.5000109.8E80 T93 M94 W139 H181E80-H82 IonicContact OE2-CD2 2.66Å; E80-H82 IonicContact OE2-CE1 2.84Å; E80-H82 IonicContact OE2-NE2 3.63Å; E80-H82 PolarHBondContact OE2-NE2 3.28Å; H82-T93 CarbonylContact O-C 3.55Å; H82-T93 WeakPolarHBondContact O-CA 3.35Å; H82-M94 HydrophobicContact CB-CB 4.35Å; H82-M94 PolarHBondContact N-O 2.94Å; H82-M94 PolarHBondContact O-N 2.61Å; H82-W139 HydrophobicContact CB-CZ3 4.11Å; H82-W139 AromaticContact CD2-CH2 3.91Å; H82-W139 AromaticContact CD2-CZ3 3.63Å; H82-W139 AromaticContact CE1-CH2 3.61Å; H82-W139 AromaticContact CG-CH2 3.96Å; H82-W139 AromaticContact CG-CZ3 3.6Å; H82-W139 AromaticContact ND1-CH2 3.76Å; H82-W139 AromaticContact ND1-CZ3 3.87Å; H82-W139 AromaticContact NE2-CH2 3.69Å; H82-W139 AromaticContact NE2-CZ3 3.92Å; H82-H181 AromaticContact CG-NE2 3.59Å; H82-H181 AromaticContact ND1-CE1 3.81Å; H82-H181 AromaticContact ND1-NE2 3.01Å; H82-H181 PolarHBondContact ND1-NE2 2.9Å
83H98.8Very high98.4Very high123 Ų12349.7 Ų49.757%0.56928%0.275SS*.EExtended strand (participates in β ladder)trans-110.9124174.2-61.286.8000109I91 L92H83-I91 HydrophobicContact CB-CG2 4.18Å; H83-L92 CarbonylContact C-O 3.58Å; H83-L92 WeakPolarHBondContact CA-O 3.33Å
84V98.8Very high98.4Very high8 Ų847.2 Ų47.25%0.04825%0.254CS..EExtended strand (participates in β ladder)trans-122.1120.8-173.3-177.10000109.4L92 M94 A177 H181V84-L92 PolarHBondContact N-O 2.83Å; V84-L92 PolarHBondContact O-N 2.86Å; V84-M94 HydrophobicContact CG2-CG 4.19Å; V84-M94 HydrophobicContact CG2-SD 3.75Å; V84-A177 HydrophobicContact CG1-CB 3.79Å; V84-H181 HydrophobicContact CG1-CB 4.08Å; V84-H181 HydrophobicContact CG2-CB 3.85Å
85T98.8Very high98.5Very high82 Ų8244.4 Ų44.450%0.50324%0.242SC..EExtended strand (participates in β ladder)trans-90.7125.9176.6-500000110.4Y90 I91 T153T85-Y90 WeakPolarHBondContact CA-O 3.43Å; T85-I91 HydrophobicContact CG2-CG1 4.4Å; T85-T153 HydrophobicContact CG2-CG2 3.86Å
86T98.8Very high98.6Very high7 Ų741.5 Ų41.54%0.04323%0.23CC..  trans-77.9162.7175.9570000111.9D88 G89 Y90 L92 A177T86-D88 WeakPolarHBondContact CB-OD1 3.27Å; T86-D88 PolarHBondContact O-N 3.06Å; T86-D88 PolarHBondContact OG1-OD1 3.34Å; T86-G89 PolarHBondContact O-N 2.8Å; T86-G89 PolarHBondContact OG1-N 2.51Å; T86-Y90 PolarHBondContact N-O 2.81Å; T86-Y90 WeakPolarHBondContact OG1-CA 3.4Å; T86-Y90 WeakPolarHBondContact OG1-CB 3.12Å; T86-Y90 PolarHBondContact OG1-N 3.1Å; T86-Y90 PolarHBondContact OG1-O 3.19Å; T86-L92 HydrophobicContact CG2-CD1 3.57Å; T86-L92 HydrophobicContact CG2-CD2 4.44Å; T86-L92 HydrophobicContact CG2-CG 3.9Å; T86-A177 HydrophobicContact CG2-CB 4.01Å
87E98.5Very high98.7Very high131 Ų13138.2 Ų38.261%0.61220%0.196SC*.THydrogen-bonded Turntrans-57.2-31.7178.5-66.7174.9-158.700112.9Y173 R210E87-Y173 HydrophobicContact CB-CD1 4.11Å; E87-R210 IonicContact OE1-CZ 2.7Å; E87-R210 IonicContact OE1-NH1 3.34Å; E87-R210 PolarHBondContact OE1-NH1 3.06Å; E87-R210 IonicContact OE1-NH2 3.67Å; E87-R210 PolarHBondContact OE1-NH2 3.22Å; E87-R210 IonicContact OE2-NH1 2.75Å
88D98.4Very high98.7Very high55 Ų5539.5 Ų39.529%0.29420%0.2SC..THydrogen-bonded Turntrans-95.23.9179.367.8-36.2000114.1T86 R144 H152 Y173T86-D88 WeakPolarHBondContact CB-OD1 3.27Å; T86-D88 PolarHBondContact O-N 3.06Å; T86-D88 PolarHBondContact OG1-OD1 3.34Å; D88-R144 IonicContact OD1-CZ 3.9Å; D88-R144 IonicContact OD1-NH1 4Å; D88-R144 IonicContact OD1-NH2 3.86Å; D88-R144 PolarHBondContact OD1-NH2 3.03Å; D88-R144 IonicContact OD2-CZ 3.19Å; D88-R144 IonicContact OD2-NH1 3.17Å; D88-R144 PolarHBondContact OD2-NH1 3.35Å; D88-R144 IonicContact OD2-NH2 2.87Å; D88-R144 PolarHBondContact OD2-NH2 3.36Å; D88-H152 PolarHBondContact O-CE1 2.97Å; D88-H152 VanDerWaalsContact O-CE1 3.23Å; D88-H152 PolarHBondContact O-NE2 3.38Å; D88-H152 VanDerWaalsContact O-NE2 3.07Å; D88-Y173 WeakPolarHBondContact OD1-CB 3.46Å
89G98.6Very high98.6Very high7 Ų738.9 Ų38.97%0.07220%0.196CC..SBendtrans101.3-0.6164.600000116.5T86 H152 T153T86-G89 PolarHBondContact O-N 2.8Å; T86-G89 PolarHBondContact OG1-N 2.51Å; G89-H152 CarbonylContact O-C 3.56Å; G89-H152 WeakPolarHBondContact O-CA 3.49Å; G89-H152 VanDerWaalsContact O-CG 3.28Å; G89-H152 PolarHBondContact O-ND1 2.66Å; G89-T153 WeakPolarHBondContact O-CG2 3.47Å; G89-T153 PolarHBondContact O-N 2.91Å; G89-T153 PolarHBondContact O-OG1 3.12Å
90Y98.8Very high98.4Very high9 Ų943.9 Ų43.94%0.03522%0.216CC..BIsolated β-bridgetrans-65.9140.9169.6-71.3-99.8000110.5T85 T86 R144 H152 F162 F165T85-Y90 WeakPolarHBondContact CA-O 3.43Å; T86-Y90 PolarHBondContact N-O 2.81Å; T86-Y90 WeakPolarHBondContact OG1-CA 3.4Å; T86-Y90 WeakPolarHBondContact OG1-CB 3.12Å; T86-Y90 PolarHBondContact OG1-N 3.1Å; T86-Y90 PolarHBondContact OG1-O 3.19Å; Y90-R144 HydrophobicContact CD1-CB 3.5Å; Y90-R144 VanDerWaalsContact CD1-CB 3.5Å; Y90-R144 HydrophobicContact CD1-CG 4.4Å; Y90-R144 VanDerWaalsContact CD2-CZ 3.43Å; Y90-R144 HydrophobicContact CE1-CB 4.01Å; Y90-R144 HydrophobicContact CG-CB 3.92Å; Y90-H152 AromaticContact CD1-CD2 3.92Å; Y90-H152 AromaticContact CD2-CD2 3.51Å; Y90-H152 AromaticContact CD2-NE2 3.71Å; Y90-H152 AromaticContact CE2-CD2 3.58Å; Y90-H152 AromaticContact CE2-NE2 3.69Å; Y90-H152 AromaticContact CG-CD2 3.68Å; Y90-H152 AromaticContact CZ-CD2 3.86Å; Y90-F162 HydrophobicContact CD1-CD2 4.4Å; Y90-F162 AromaticContact CD1-CE2 3.76Å; Y90-F162 HydrophobicContact CD1-CE2 3.76Å; Y90-F162 AromaticContact CD1-CZ 4Å; Y90-F162 HydrophobicContact CD1-CZ 4Å; Y90-F162 AromaticContact CE1-CD2 3.87Å; Y90-F162 HydrophobicContact CE1-CD2 3.87Å; Y90-F162 HydrophobicContact CE1-CE1 4.3Å; Y90-F162 AromaticContact CE1-CE2 3.61Å; Y90-F162 HydrophobicContact CE1-CE2 3.61Å; Y90-F162 HydrophobicContact CE1-CG 4.29Å; Y90-F162 AromaticContact CE1-CZ 3.82Å; Y90-F162 HydrophobicContact CE1-CZ 3.82Å; Y90-F162 WeakPolarHBondContact CE1-O 3.2Å; Y90-F162 PolarHBondContact OH-O 3.33Å; Y90-F165 HydrophobicContact CE1-CD1 4.1Å; Y90-F165 HydrophobicContact CE1-CE1 4.18Å
91I98.8Very high98.3Very high31 Ų3144.7 Ų44.716%0.15924%0.236CC..EExtended strand (participates in β ladder)trans-108.1110.9176.9-57.1170.4000107.7H83 T85 N151 T153H83-I91 HydrophobicContact CB-CG2 4.18Å; T85-I91 HydrophobicContact CG2-CG1 4.4Å; I91-N151 HydrophobicContact CB-CB 4.11Å; I91-N151 PolarHBondContact N-O 2.96Å; I91-T153 HydrophobicContact CD1-CG2 4.37Å; I91-T153 HydrophobicContact CG1-CG2 4.42Å
92L98.9Very high98.3Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-98135.2-175.2-48.4-179.4000110.1H83 V84 T86 R144 D174 M178H83-L92 CarbonylContact C-O 3.58Å; H83-L92 WeakPolarHBondContact CA-O 3.33Å; V84-L92 PolarHBondContact N-O 2.83Å; V84-L92 PolarHBondContact O-N 2.86Å; T86-L92 HydrophobicContact CG2-CD1 3.57Å; T86-L92 HydrophobicContact CG2-CD2 4.44Å; T86-L92 HydrophobicContact CG2-CG 3.9Å; L92-R144 HydrophobicContact CD2-CB 3.88Å; L92-D174 HydrophobicContact CD1-CB 3.59Å; L92-M178 HydrophobicContact CD1-CE 3.64Å; L92-M178 HydrophobicContact CD1-CG 4.32Å
93T98.8Very high98.3Very high18 Ų1842.5 Ų42.511%0.1123%0.226CC..EExtended strand (participates in β ladder)trans-93.6119.9172.6-58.90000109.3V81 H82 N142 Y148 S149V81-T93 HydrophobicContact CG1-CG2 3.62Å; H82-T93 CarbonylContact O-C 3.55Å; H82-T93 WeakPolarHBondContact O-CA 3.35Å; T93-N142 VanDerWaalsContact O-CB 3.25Å; T93-N142 WeakPolarHBondContact O-CB 3.15Å; T93-N142 PolarHBondContact O-ND2 3.13Å; T93-Y148 WeakPolarHBondContact CB-O 3.36Å; T93-Y148 PolarHBondContact OG1-O 3.11Å; T93-S149 PolarHBondContact N-OG 2.52Å; T93-S149 VanDerWaalsContact N-OG 3.12Å
94M98.9Very high98.3Very high0 Ų036.7 Ų36.70%020%0.199CC..EExtended strand (participates in β ladder)trans-105.6137.9171.5-59.7-176.275.600109.8H82 V84 L106 W139 L140 M178 V182H82-M94 HydrophobicContact CB-CB 4.35Å; H82-M94 PolarHBondContact N-O 2.94Å; H82-M94 PolarHBondContact O-N 2.61Å; V84-M94 HydrophobicContact CG2-CG 4.19Å; V84-M94 HydrophobicContact CG2-SD 3.75Å; M94-L106 HydrophobicContact CE-CD1 3.54Å; M94-W139 HydrophobicContact CE-CB 4.24Å; M94-W139 HydrophobicContact CE-CE3 4.07Å; M94-W139 HydrophobicContact SD-CE3 4.43Å; M94-L140 WeakPolarHBondContact CA-O 3.39Å; M94-M178 HydrophobicContact CE-CB 3.74Å; M94-M178 HydrophobicContact CE-CG 3.85Å; M94-M178 HydrophobicContact CE-SD 4.1Å; M94-M178 HydrophobicContact CG-CG 4.26Å; M94-M178 HydrophobicContact SD-CB 3.8Å; M94-M178 HydrophobicContact SD-CG 3.62Å; M94-M178 HydrophobicContact SD-SD 4.46Å; M94-V182 HydrophobicContact CE-CG2 3.97Å
95H98.9Very high98.3Very high3 Ų336.3 Ų36.31%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-98.9149.7169.4-56.6106.8000109.5V68 I72 E80 S115 L140 N142 Y148V68-H95 HydrophobicContact CG1-CB 3.82Å; I72-H95 HydrophobicContact CD1-CB 4.5Å; E80-H95 CarbonylContact O-C 3.57Å; H95-S115 PolarHBondContact CE1-OG 3.07Å; H95-S115 PolarHBondContact ND1-OG 2.96Å; H95-L140 HydrophobicContact CB-CB 4.16Å; H95-L140 HydrophobicContact CB-CD1 4.1Å; H95-L140 PolarHBondContact N-O 3.48Å; H95-L140 PolarHBondContact O-N 3.21Å; H95-N142 PolarHBondContact ND1-ND2 2.93Å; H95-Y148 AromaticContact CE1-CD1 3.66Å; H95-Y148 AromaticContact CE1-CE1 3.89Å; H95-Y148 AromaticContact CE1-CG 3.84Å
96R98.8Very high98.3Very high9 Ų932.4 Ų32.43%0.03417%0.173CC..EExtended strand (participates in β ladder)trans-136.9129.6179.8-176.9-164.9-178.2-177.86.3110.5S79 E80 R98 D137 V138 W139S79-R96 WeakPolarHBondContact CA-O 3.2Å; E80-R96 HydrophobicContact CB-CB 4.23Å; E80-R96 PolarHBondContact N-O 3.31Å; E80-R96 PolarHBondContact O-N 3.44Å; E80-R96 IonicContact OE1-NH1 3.56Å; E80-R96 VanDerWaalsContact OE2-CD 3.3Å; E80-R96 WeakPolarHBondContact OE2-CD 3.4Å; E80-R96 IonicContact OE2-CZ 3.76Å; E80-R96 IonicContact OE2-NE 3.75Å; E80-R96 IonicContact OE2-NH1 2.96Å; E80-R96 PolarHBondContact OE2-NH1 3.05Å; R96-R98 HydrophobicContact CG-CB 4.49Å; R96-D137 IonicContact CZ-OD1 3.11Å; R96-D137 IonicContact CZ-OD2 2.72Å; R96-D137 IonicContact NE-OD1 3.34Å; R96-D137 PolarHBondContact NE-OD1 3.27Å; R96-D137 IonicContact NE-OD2 2.74Å; R96-D137 PolarHBondContact NE-OD2 3.12Å; R96-D137 VanDerWaalsContact NH2-CG 3.27Å; R96-D137 IonicContact NH2-OD1 3.22Å; R96-D137 PolarHBondContact NH2-OD1 3Å; R96-D137 IonicContact NH2-OD2 3.14Å; R96-D137 PolarHBondContact NH2-OD2 3.4Å; R96-V138 CarbonylContact C-O 3.58Å; R96-V138 VanDerWaalsContact CA-O 3.24Å; R96-V138 WeakPolarHBondContact CA-O 3.21Å; R96-V138 WeakPolarHBondContact CG-O 3.38Å; R96-W139 HydrophobicContact CB-CD2 4.2Å; R96-W139 HydrophobicContact CB-CE3 4.14Å; R96-W139 HydrophobicContact CB-CZ3 4.47Å; R96-W139 VanDerWaalsContact CD-CZ2 3.48Å; R96-W139 HydrophobicContact CG-CD2 3.87Å; R96-W139 HydrophobicContact CG-CE3 4.28Å; R96-W139 HydrophobicContact CG-CG 4.26Å; R96-W139 HydrophobicContact CG-CZ2 4.23Å
97I98.8Very high98.3Very high3 Ų332 Ų322%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-89.497.9161.8-52.3-176.6000106.6I72 Y77 E78 K99 A128 Y129 A132 V138I72-I97 HydrophobicContact CD1-CD1 4.4Å; I72-I97 HydrophobicContact CD1-CG1 3.86Å; I72-I97 HydrophobicContact CG1-CD1 4.34Å; I72-I97 HydrophobicContact CG1-CG1 4.18Å; I72-I97 HydrophobicContact CG2-CD1 4.37Å; I72-I97 HydrophobicContact CG2-CG1 3.82Å; Y77-I97 HydrophobicContact CD1-CG2 3.67Å; Y77-I97 HydrophobicContact CG-CG2 4.12Å; E78-I97 CarbonylContact O-C 3.59Å; E78-I97 WeakPolarHBondContact O-CA 3.49Å; I97-K99 PolarHBondContact O-N 2.77Å; I97-A128 HydrophobicContact CD1-CB 3.73Å; I97-Y129 HydrophobicContact CD1-CD1 3.81Å; I97-Y129 HydrophobicContact CD1-CE1 3.99Å; I97-A132 HydrophobicContact CB-CB 4.41Å; I97-A132 HydrophobicContact CG2-CB 3.68Å; I97-V138 HydrophobicContact CB-CB 4.18Å; I97-V138 PolarHBondContact N-O 3.37Å; I97-V138 PolarHBondContact O-N 3.18Å; I97-V138 VanDerWaalsContact O-N 3.09Å
98R98.5Very high98.3Very high74 Ų7425.9 Ų25.928%0.27914%0.142SC..  trans-71.9130.9-169174.5162.1169.5-140.6-0.6111.4E78 E80 R96 Q100 D137E78-R98 HydrophobicContact CB-CB 4.27Å; E78-R98 HydrophobicContact CG-CB 4.07Å; E78-R98 PolarHBondContact O-N 2.84Å; E78-R98 WeakPolarHBondContact OE1-CD 3.42Å; E78-R98 IonicContact OE1-CZ 3.34Å; E78-R98 VanDerWaalsContact OE1-CZ 3.3Å; E78-R98 IonicContact OE1-NE 3.18Å; E78-R98 IonicContact OE1-NH1 3.45Å; E78-R98 PolarHBondContact OE1-NH1 3.29Å; E80-R98 VanDerWaalsContact CD-CD 3.46Å; E80-R98 HydrophobicContact CG-CB 4.42Å; E80-R98 WeakPolarHBondContact OE1-CD 3.44Å; E80-R98 IonicContact OE1-CZ 2.69Å; E80-R98 IonicContact OE1-NE 3.22Å; E80-R98 IonicContact OE1-NH1 2.63Å; E80-R98 PolarHBondContact OE1-NH1 3.15Å; R96-R98 HydrophobicContact CG-CB 4.49Å; R98-Q100 VanDerWaalsContact NE-OE1 3.11Å; R98-D137 WeakPolarHBondContact CA-OD1 3.32Å
99K97.4Very high98.3Very high90 Ų9023.6 Ų23.639%0.39113%0.129SC..  trans-134.794.1167.7-162.176.8173.6-1710110I97 G101 A102 N135 Y136 D137I97-K99 PolarHBondContact O-N 2.77Å; K99-G101 PolarHBondContact O-N 2.7Å; K99-A102 HydrophobicContact CB-CB 3.8Å; K99-A102 HydrophobicContact CG-CB 3.62Å; K99-A102 WeakPolarHBondContact O-CB 3.44Å; K99-A102 PolarHBondContact O-N 2.78Å; K99-A102 VanDerWaalsContact O-N 3.09Å; K99-N135 VanDerWaalsContact CE-OD1 3.22Å; K99-N135 WeakPolarHBondContact CE-OD1 2.9Å; K99-Y136 VanDerWaalsContact CB-O 3.27Å; K99-Y136 WeakPolarHBondContact CB-O 3.33Å; K99-D137 HydrophobicContact CB-CB 4.25Å; K99-D137 PolarHBondContact N-OD1 3.41Å
100Q93.5Very high98.3Very high138 Ų13823.3 Ų23.365%0.64513%0.127SC*.THydrogen-bonded Turntrans-55.7128.4-174.7-169.966.141.300112.1R98 A102R98-Q100 VanDerWaalsContact NE-OE1 3.11Å; Q100-A102 PolarHBondContact O-N 3.2Å
101G95.8Very high98.1Very high61 Ų6124.7 Ų24.763%0.62913%0.134SC*.THydrogen-bonded Turntrans75.2-0.5178.200000115.3K99K99-G101 PolarHBondContact O-N 2.7Å
102A98.3Very high97.7Very high2 Ų223.8 Ų23.82%0.01713%0.13CC..SBendtrans-83154.1172.600000111.4K99 Q100 N135 D137 F188K99-A102 HydrophobicContact CB-CB 3.8Å; K99-A102 HydrophobicContact CG-CB 3.62Å; K99-A102 WeakPolarHBondContact O-CB 3.44Å; K99-A102 PolarHBondContact O-N 2.78Å; K99-A102 VanDerWaalsContact O-N 3.09Å; Q100-A102 PolarHBondContact O-N 3.2Å; A102-N135 WeakPolarHBondContact CB-O 3.39Å; A102-D137 HydrophobicContact CB-CB 4.24Å; A102-F188 VanDerWaalsContact O-CE2 3.28Å; A102-F188 WeakPolarHBondContact O-CE2 3.46Å; A102-F188 WeakPolarHBondContact O-CZ 3.39Å
103P98.6Very high97.6Very high42 Ų4224 Ų2427%0.27313%0.131SC..PPolyproline II helixtrans-60.6136.7176.7-21.933.1000111.7Y136 D137 F188P103-Y136 HydrophobicContact CB-CD1 4.08Å; P103-Y136 HydrophobicContact CB-CE1 4.17Å; P103-Y136 WeakPolarHBondContact O-CD1 3.48Å; P103-D137 PolarHBondContact O-N 2.8Å; P103-F188 HydrophobicContact CB-CE1 4.25Å; P103-F188 HydrophobicContact CG-CE1 4.32Å
104P98.9Very high97.5Very high0 Ų023.1 Ų23.10%013%0.126CC..EExtended strand (participates in β ladder)trans-69.7140.1177.223.4-30.6000112.6D137 V182 T186 F188 L191 H192P104-D137 CarbonylContact C-O 3.45Å; P104-D137 VanDerWaalsContact CA-O 3.32Å; P104-D137 WeakPolarHBondContact CA-O 3.37Å; P104-V182 HydrophobicContact CB-CG1 3.46Å; P104-V182 VanDerWaalsContact CB-CG1 3.46Å; P104-V182 HydrophobicContact CG-CG1 4.18Å; P104-T186 HydrophobicContact CB-CG2 4.21Å; P104-F188 VanDerWaalsContact CD-CG 3.42Å; P104-F188 HydrophobicContact CG-CB 3.84Å; P104-F188 HydrophobicContact CG-CD2 4.36Å; P104-F188 HydrophobicContact CG-CG 4.1Å; P104-L191 HydrophobicContact CB-CB 3.91Å; P104-L191 HydrophobicContact CG-CB 3.71Å; P104-H192 PolarHBondContact O-N 2.96Å
105F98.9Very high97.5Very high0 Ų023.1 Ų23.10%013%0.126CC..EExtended strand (participates in β ladder)trans-131.4112.2175-154.1-55.9000109.7L107 L131 Y136 D137 V138 W139 H192 A194 Q221 M410 L414F105-L107 HydrophobicContact CD1-CD2 3.72Å; F105-L107 HydrophobicContact CD1-CG 4.42Å; F105-L107 HydrophobicContact CE1-CD2 3.64Å; F105-L131 HydrophobicContact CD1-CD1 3.86Å; F105-L131 HydrophobicContact CD2-CD1 4.18Å; F105-L131 HydrophobicContact CD2-CD2 3.95Å; F105-L131 HydrophobicContact CE1-CD1 3.99Å; F105-L131 HydrophobicContact CE2-CD1 4.31Å; F105-L131 HydrophobicContact CE2-CD2 3.86Å; F105-L131 HydrophobicContact CG-CD1 3.98Å; F105-L131 HydrophobicContact CZ-CD1 4.23Å; F105-L131 HydrophobicContact CZ-CD2 4.37Å; F105-Y136 HydrophobicContact CB-CD1 4.2Å; F105-Y136 HydrophobicContact CB-CG 4.22Å; F105-Y136 AromaticContact CD2-CD1 3.88Å; F105-Y136 HydrophobicContact CD2-CD1 3.88Å; F105-Y136 HydrophobicContact CD2-CD2 4.04Å; F105-Y136 AromaticContact CD2-CE1 3.94Å; F105-Y136 HydrophobicContact CD2-CE1 3.94Å; F105-Y136 HydrophobicContact CD2-CE2 4.05Å; F105-Y136 AromaticContact CD2-CG 3.94Å; F105-Y136 HydrophobicContact CD2-CG 3.94Å; F105-Y136 HydrophobicContact CE2-CE2 4.37Å; F105-D137 PolarHBondContact N-O 2.82Å; F105-V138 WeakPolarHBondContact O-CA 3.45Å; F105-W139 PolarHBondContact O-N 3.04Å; F105-H192 CarbonylContact C-O 3.42Å; F105-H192 WeakPolarHBondContact CA-O 3.38Å; F105-H192 HydrophobicContact CB-CB 4.4Å; F105-H192 HydrophobicContact CD1-CB 4.18Å; F105-H192 HydrophobicContact CD2-CB 3.39Å; F105-H192 HydrophobicContact CE1-CB 4.24Å; F105-H192 HydrophobicContact CE2-CB 3.47Å; F105-H192 VanDerWaalsContact CE2-CB 3.47Å; F105-H192 HydrophobicContact CG-CB 3.75Å; F105-H192 HydrophobicContact CZ-CB 3.9Å; F105-A194 HydrophobicContact CE1-CB 3.7Å; F105-A194 HydrophobicContact CZ-CB 4.24Å; F105-Q221 HydrophobicContact CZ-CG 4.21Å; F105-M410 HydrophobicContact CE1-CE 4.34Å; F105-M410 HydrophobicContact CE2-CE 4.48Å; F105-M410 HydrophobicContact CZ-CE 3.74Å; F105-L414 HydrophobicContact CE2-CD1 3.68Å; F105-L414 HydrophobicContact CE2-CD2 3.94Å; F105-L414 HydrophobicContact CE2-CG 4.49Å; F105-L414 HydrophobicContact CZ-CD1 4.22Å; F105-L414 HydrophobicContact CZ-CD2 4.48Å
106L99Very high97.4Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-92.3122.9177.6-179.857.2000110.7M94 W139 M178 I179 L191 H192 Y193 A194M94-L106 HydrophobicContact CE-CD1 3.54Å; L106-W139 CarbonylContact C-O 3.57Å; L106-W139 WeakPolarHBondContact CA-O 3.33Å; L106-W139 HydrophobicContact CD1-CB 3.96Å; L106-M178 HydrophobicContact CD2-CB 4.17Å; L106-I179 HydrophobicContact CD2-CG1 3.97Å; L106-L191 HydrophobicContact CB-CD1 4.02Å; L106-L191 HydrophobicContact CB-CD2 4.41Å; L106-H192 PolarHBondContact N-O 3.35Å; L106-Y193 HydrophobicContact CB-CD2 4.1Å; L106-Y193 HydrophobicContact CD2-CD2 3.86Å; L106-Y193 HydrophobicContact CD2-CE2 3.85Å; L106-Y193 HydrophobicContact CG-CD2 3.98Å; L106-Y193 HydrophobicContact CG-CE2 4.06Å; L106-Y193 CarbonylContact O-C 3.55Å; L106-Y193 WeakPolarHBondContact O-CA 3.41Å; L106-A194 PolarHBondContact O-N 3.23Å
107L98.9Very high97.3Very high0 Ų022.7 Ų22.70%013%0.125CC..EExtended strand (participates in β ladder)trans-103.8131.1170.7-55.7-177.6000109.8F105 F118 L127 A128 L131 V138 W139 L140 G141 A194F105-L107 HydrophobicContact CD1-CD2 3.72Å; F105-L107 HydrophobicContact CD1-CG 4.42Å; F105-L107 HydrophobicContact CE1-CD2 3.64Å; L107-F118 HydrophobicContact CB-CD1 4.35Å; L107-F118 HydrophobicContact CB-CD2 3.83Å; L107-F118 HydrophobicContact CB-CE1 4.34Å; L107-F118 HydrophobicContact CB-CE2 3.81Å; L107-F118 HydrophobicContact CB-CG 4.1Å; L107-F118 HydrophobicContact CB-CZ 4.07Å; L107-F118 HydrophobicContact CD1-CB 3.93Å; L107-F118 HydrophobicContact CD1-CD1 3.93Å; L107-F118 HydrophobicContact CD1-CD2 4.38Å; L107-F118 HydrophobicContact CD1-CG 3.83Å; L107-L127 HydrophobicContact CD1-CD2 4.3Å; L107-L127 HydrophobicContact CD1-CG 4.18Å; L107-L127 HydrophobicContact CD2-CD2 3.96Å; L107-L127 HydrophobicContact CD2-CG 4.43Å; L107-A128 HydrophobicContact CD1-CB 3.99Å; L107-L131 HydrophobicContact CD1-CD1 4.1Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.3Å; L107-V138 HydrophobicContact CD1-CG1 3.95Å; L107-V138 HydrophobicContact CG-CG1 4.2Å; L107-W139 PolarHBondContact N-O 3.41Å; L107-L140 HydrophobicContact CB-CD2 3.94Å; L107-L140 HydrophobicContact CD1-CD2 3.69Å; L107-L140 HydrophobicContact CG-CD2 4.16Å; L107-G141 PolarHBondContact O-N 3.06Å; L107-A194 WeakPolarHBondContact CA-O 3.49Å; L107-A194 HydrophobicContact CD2-CB 3.66Å
108Q98.9Very high97.3Very high2 Ų222.6 Ų22.61%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-123.9128.2177.4-175.163.526.900111.6F118 L175 Y193 A194 G195 H196Q108-F118 WeakPolarHBondContact O-CZ 3.38Å; Q108-L175 HydrophobicContact CG-CD2 4.08Å; Q108-Y193 HydrophobicContact CB-CE1 4.31Å; Q108-Y193 HydrophobicContact CB-CE2 4.18Å; Q108-Y193 WeakPolarHBondContact CB-OH 3.09Å; Q108-Y193 WeakPolarHBondContact CG-OH 3.36Å; Q108-A194 PolarHBondContact N-O 3.08Å; Q108-G195 WeakPolarHBondContact O-CA 3.28Å; Q108-H196 PolarHBondContact O-N 3.34Å
109H98.6Very high97.3Very high6 Ų619 Ų193%0.02811%0.111CC..  trans-77.2168-174.767.776.8000113.1D113 S114 F118 G141 A143 N146 H196 G199H109-D113 HydrophobicContact CB-CB 4.04Å; H109-D113 PolarHBondContact CE1-O 3.49Å; H109-D113 PolarHBondContact ND1-O 3.2Å; H109-D113 VanDerWaalsContact ND1-O 3.09Å; H109-S114 WeakPolarHBondContact CB-O 3.32Å; H109-S114 VanDerWaalsContact CD2-C 3.46Å; H109-S114 VanDerWaalsContact CD2-CA 3.44Å; H109-S114 WeakPolarHBondContact CD2-CA 3.44Å; H109-F118 HydrophobicContact CB-CE2 4.03Å; H109-G141 PolarHBondContact CD2-O 2.87Å; H109-A143 PolarHBondContact NE2-N 3.27Å; H109-N146 PolarHBondContact NE2-ND2 2.93Å; H109-H196 CarbonylContact C-O 3.51Å; H109-G199 WeakPolarHBondContact O-CA 3.42Å; H109-G199 PolarHBondContact O-N 2.87Å
110G97.7Very high97.2Very high2 Ų214.9 Ų14.92%0.0219%0.093CC..  trans-80.9-174.217600000114.6D113 H196G110-D113 PolarHBondContact O-N 3.43Å; G110-H196 VanDerWaalsContact CA-O 3.26Å; G110-H196 WeakPolarHBondContact CA-O 3.4Å; G110-H196 PolarHBondContact N-O 2.93Å
111L94.6Very high97.3Very high38 Ų389.1 Ų9.120%0.1997%0.066CC..THydrogen-bonded Turntrans-64.8144.5172.4-173.977.1000109.3D113 Q198 V306 Q310 V311 F314L111-D113 PolarHBondContact O-N 3.19Å; L111-D113 VanDerWaalsContact O-N 3.11Å; L111-Q198 HydrophobicContact CB-CB 4.19Å; L111-V306 HydrophobicContact CD1-CB 4.24Å; L111-V306 HydrophobicContact CD1-CG1 3.74Å; L111-V306 HydrophobicContact CG-CG1 4.16Å; L111-Q310 HydrophobicContact CD1-CB 3.64Å; L111-Q310 HydrophobicContact CD1-CG 4.41Å; L111-V311 HydrophobicContact CD2-CG2 4.31Å; L111-F314 HydrophobicContact CB-CE2 4.4Å; L111-F314 HydrophobicContact CD1-CE2 4.34Å; L111-F314 HydrophobicContact CD2-CD2 4.04Å; L111-F314 HydrophobicContact CD2-CE2 4.2Å
112V91.9Very high97.2Very high12 Ų126.4 Ų6.47%0.0734%0.038CC..THydrogen-bonded Turntrans69.6-1.9178.8-165.30000114F257 Y302 P303 A304 V306V112-F257 HydrophobicContact CG1-CB 3.81Å; V112-F257 HydrophobicContact CG1-CD2 4.27Å; V112-F257 HydrophobicContact CG1-CG 4Å; V112-F257 HydrophobicContact CG2-CD2 4.01Å; V112-F257 HydrophobicContact CG2-CE2 4.25Å; V112-Y302 HydrophobicContact CB-CE2 3.95Å; V112-Y302 HydrophobicContact CG1-CE1 4.5Å; V112-Y302 HydrophobicContact CG1-CE2 3.96Å; V112-Y302 WeakPolarHBondContact O-CD2 3.01Å; V112-Y302 WeakPolarHBondContact O-CE2 3.43Å; V112-P303 HydrophobicContact CG1-CB 3.12Å; V112-P303 HydrophobicContact CG1-CG 4.49Å; V112-P303 CarbonylContact O-C 3.52Å; V112-P303 WeakPolarHBondContact O-CA 3.26Å; V112-A304 PolarHBondContact O-N 3.23Å; V112-V306 HydrophobicContact CG2-CG1 4.27Å; V112-V306 HydrophobicContact CG2-CG2 4.17Å
113D95Very high97Very high4 Ų47.9 Ų7.92%0.0215%0.048CC..  trans-106.9-179.1-177.1-163.412.1000112.4H109 G110 L111 N146 Y302H109-D113 HydrophobicContact CB-CB 4.04Å; H109-D113 PolarHBondContact CE1-O 3.49Å; H109-D113 PolarHBondContact ND1-O 3.2Å; H109-D113 VanDerWaalsContact ND1-O 3.09Å; G110-D113 PolarHBondContact O-N 3.43Å; L111-D113 PolarHBondContact O-N 3.19Å; L111-D113 VanDerWaalsContact O-N 3.11Å; D113-N146 PolarHBondContact O-ND2 2.94Å; D113-Y302 HydrophobicContact CB-CD2 4.13Å; D113-Y302 HydrophobicContact CB-CE2 4.15Å
114S97.5Very high96.6Very high0 Ų010.4 Ų10.40%06%0.059CC..  trans-143.5-179.4174.668.50000110.7H109 A116 G117 N142 N146 Y148H109-S114 WeakPolarHBondContact CB-O 3.32Å; H109-S114 VanDerWaalsContact CD2-C 3.46Å; H109-S114 VanDerWaalsContact CD2-CA 3.44Å; H109-S114 WeakPolarHBondContact CD2-CA 3.44Å; S114-A116 PolarHBondContact O-N 3.48Å; S114-A116 VanDerWaalsContact OG-CB 3.29Å; S114-A116 WeakPolarHBondContact OG-CB 3.42Å; S114-A116 PolarHBondContact OG-N 2.78Å; S114-G117 PolarHBondContact O-N 2.81Å; S114-N142 WeakPolarHBondContact CB-OD1 3.48Å; S114-N146 WeakPolarHBondContact CB-ND2 3.23Å; S114-Y148 WeakPolarHBondContact OG-CE2 3.35Å
115S98.4Very high96.4Very high0 Ų012.2 Ų12.20%07%0.07CC..G310 helixtrans-47.6-25.5167.651.80000114.6H95 G117 F118 N142H95-S115 PolarHBondContact CE1-OG 3.07Å; H95-S115 PolarHBondContact ND1-OG 2.96Å; S115-G117 VanDerWaalsContact C-N 3.26Å; S115-G117 PolarHBondContact O-N 3.12Å; S115-F118 PolarHBondContact O-N 3.37Å; S115-N142 PolarHBondContact N-OD1 3.25Å; S115-N142 PolarHBondContact OG-ND2 2.94Å; S115-N142 PolarHBondContact OG-OD1 3.22Å; S115-N142 VanDerWaalsContact OG-OD1 3.09Å
116A97.7Very high96.4Very high0 Ų012.3 Ų12.30%07%0.07CC..G310 helixtrans-59.1-34.8176.800000112.8V68 S114 F118 V119 V120 H301V68-A116 HydrophobicContact CG2-CB 3.54Å; S114-A116 PolarHBondContact O-N 3.48Å; S114-A116 VanDerWaalsContact OG-CB 3.29Å; S114-A116 WeakPolarHBondContact OG-CB 3.42Å; S114-A116 PolarHBondContact OG-N 2.78Å; A116-F118 PolarHBondContact O-N 3.46Å; A116-V119 VanDerWaalsContact O-CG2 3.3Å; A116-V119 WeakPolarHBondContact O-CG2 3.15Å; A116-V119 PolarHBondContact O-N 3.47Å; A116-V120 HydrophobicContact CB-CG1 3.9Å; A116-V120 VanDerWaalsContact O-CG1 3.24Å; A116-V120 WeakPolarHBondContact O-CG1 3.49Å; A116-V120 WeakPolarHBondContact O-CG2 3.4Å; A116-V120 PolarHBondContact O-N 3.36Å; A116-H301 HydrophobicContact CB-CB 3.62Å
117G97.1Very high96.3Very high2 Ų212.3 Ų12.32%0.0217%0.071CC..G310 helixtrans-54.2-25-179.100000114.3S114 S115 W398S114-G117 PolarHBondContact O-N 2.81Å; S115-G117 VanDerWaalsContact C-N 3.26Å; S115-G117 PolarHBondContact O-N 3.12Å; G117-W398 PolarHBondContact O-NE1 2.91Å
118F98.6Very high96.3Very high1 Ų112.3 Ų12.30%0.0047%0.071CC..G310 helixtrans-93.90.3178.5-61.8-70.5000115.4L107 Q108 H109 S115 A116 S126 L127 A128 L140 H196 L397L107-F118 HydrophobicContact CB-CD1 4.35Å; L107-F118 HydrophobicContact CB-CD2 3.83Å; L107-F118 HydrophobicContact CB-CE1 4.34Å; L107-F118 HydrophobicContact CB-CE2 3.81Å; L107-F118 HydrophobicContact CB-CG 4.1Å; L107-F118 HydrophobicContact CB-CZ 4.07Å; L107-F118 HydrophobicContact CD1-CB 3.93Å; L107-F118 HydrophobicContact CD1-CD1 3.93Å; L107-F118 HydrophobicContact CD1-CD2 4.38Å; L107-F118 HydrophobicContact CD1-CG 3.83Å; Q108-F118 WeakPolarHBondContact O-CZ 3.38Å; H109-F118 HydrophobicContact CB-CE2 4.03Å; S115-F118 PolarHBondContact O-N 3.37Å; A116-F118 PolarHBondContact O-N 3.46Å; F118-S126 WeakPolarHBondContact O-CB 3.49Å; F118-L127 HydrophobicContact CD1-CB 4.29Å; F118-L127 HydrophobicContact CD1-CD2 4.16Å; F118-L127 HydrophobicContact CE1-CD2 4.25Å; F118-A128 HydrophobicContact CB-CB 4.11Å; F118-A128 VanDerWaalsContact O-CB 3.22Å; F118-A128 WeakPolarHBondContact O-CB 2.91Å; F118-A128 PolarHBondContact O-N 3.18Å; F118-L140 HydrophobicContact CB-CD2 4.04Å; F118-L140 HydrophobicContact CD2-CD2 4.41Å; F118-H196 HydrophobicContact CE1-CB 4.49Å; F118-H196 HydrophobicContact CZ-CB 4.22Å; F118-L397 HydrophobicContact CD1-CD2 3.72Å; F118-L397 HydrophobicContact CE1-CD2 3.56Å; F118-L397 HydrophobicContact CZ-CD2 4.39Å
119V98.2Very high96.3Very high0 Ų012.2 Ų12.20%07%0.07CC..THydrogen-bonded Turntrans-132.5-19.8-177.4-64.90000114.6V68 L71 I72 A116 M121 G122 S126 A128 Y129 L140V68-V119 HydrophobicContact CG1-CG2 4.07Å; V68-V119 HydrophobicContact CG2-CG2 4.37Å; L71-V119 HydrophobicContact CD2-CG2 4.12Å; I72-V119 HydrophobicContact CD1-CG1 4.26Å; I72-V119 HydrophobicContact CG1-CG1 4.04Å; A116-V119 VanDerWaalsContact O-CG2 3.3Å; A116-V119 WeakPolarHBondContact O-CG2 3.15Å; A116-V119 PolarHBondContact O-N 3.47Å; V119-M121 PolarHBondContact O-N 3.33Å; V119-M121 VanDerWaalsContact O-N 3.12Å; V119-G122 PolarHBondContact O-N 3.05Å; V119-S126 PolarHBondContact O-OG 3.48Å; V119-A128 HydrophobicContact CG1-CB 3.72Å; V119-Y129 HydrophobicContact CB-CE2 3.87Å; V119-Y129 HydrophobicContact CG1-CE2 4.17Å; V119-Y129 WeakPolarHBondContact O-CE2 3.38Å; V119-L140 HydrophobicContact CG1-CD1 3.93Å
120V95.7Very high96.3Very high2 Ų212 Ų121%0.0127%0.069CC..THydrogen-bonded Turntrans-62.2-23.3-170.3-75.90000115.2A116 G122 M294 V297 H301A116-V120 HydrophobicContact CB-CG1 3.9Å; A116-V120 VanDerWaalsContact O-CG1 3.24Å; A116-V120 WeakPolarHBondContact O-CG1 3.49Å; A116-V120 WeakPolarHBondContact O-CG2 3.4Å; A116-V120 PolarHBondContact O-N 3.36Å; V120-G122 PolarHBondContact O-N 3.06Å; V120-M294 WeakPolarHBondContact O-CE 3.39Å; V120-V297 HydrophobicContact CB-CG1 4.27Å; V120-V297 HydrophobicContact CG1-CG1 4.44Å; V120-H301 HydrophobicContact CG1-CB 3.75Å; V120-H301 VanDerWaalsContact CG1-CD2 3.49Å; V120-H301 WeakPolarHBondContact CG1-CD2 3.44Å
121M95.1Very high96.3Very high17 Ų1712 Ų128%0.0847%0.068CC..THydrogen-bonded Turntrans-82.23.6177-56.8-56.1-65.900113.1V119 V125 S126 N291 M294 I298 W398V119-M121 PolarHBondContact O-N 3.33Å; V119-M121 VanDerWaalsContact O-N 3.12Å; M121-V125 HydrophobicContact CB-CB 3.93Å; M121-V125 HydrophobicContact CB-CG1 3.64Å; M121-V125 HydrophobicContact CG-CG1 4.3Å; M121-S126 VanDerWaalsContact C-OG 3.25Å; M121-S126 WeakPolarHBondContact CA-OG 3.37Å; M121-S126 WeakPolarHBondContact CB-OG 3.28Å; M121-S126 PolarHBondContact N-OG 2.86Å; M121-S126 VanDerWaalsContact N-OG 3.1Å; M121-N291 HydrophobicContact CE-CB 4.05Å; M121-M294 HydrophobicContact CE-CB 3.95Å; M121-M294 HydrophobicContact CE-CG 3.84Å; M121-M294 HydrophobicContact SD-CB 4.15Å; M121-M294 HydrophobicContact SD-CG 4.43Å; M121-I298 HydrophobicContact SD-CD1 4.3Å; M121-W398 WeakPolarHBondContact CE-O 3.47Å; M121-W398 HydrophobicContact CG-CB 4.29Å; M121-W398 HydrophobicContact CG-CG 4.44Å; M121-W398 HydrophobicContact SD-CB 3.98Å; M121-W398 HydrophobicContact SD-CG 4.26Å
122G94.6Very high96.5Very high4 Ų410.4 Ų10.44%0.0416%0.061CC..  trans73.5-178.1-179.500000114.1V119 V120 S126 Y129V119-G122 PolarHBondContact O-N 3.05Å; V120-G122 PolarHBondContact O-N 3.06Å; G122-S126 PolarHBondContact N-OG 3.07Å; G122-S126 WeakPolarHBondContact O-CB 3.06Å; G122-S126 PolarHBondContact O-N 3.35Å; G122-S126 PolarHBondContact O-OG 2.69Å; G122-Y129 VanDerWaalsContact C-CD2 3.4Å; G122-Y129 VanDerWaalsContact O-CD2 3.25Å; G122-Y129 WeakPolarHBondContact O-CD2 3.19Å
123P94.2Very high96.7Very high34 Ų3413.9 Ų13.922%0.2218%0.079CC..THydrogen-bonded Turntrans-59.8161177.8-23.835.3000112.4Y75 Y77 V125 Y129Y75-P123 HydrophobicContact CD1-CG 3.42Å; Y75-P123 VanDerWaalsContact CD1-CG 3.42Å; Y75-P123 HydrophobicContact CD2-CG 4.34Å; Y75-P123 VanDerWaalsContact CE1-CD 3.49Å; Y75-P123 HydrophobicContact CE1-CG 4.07Å; Y75-P123 HydrophobicContact CG-CG 3.57Å; Y77-P123 HydrophobicContact CE2-CB 4.44Å; Y77-P123 HydrophobicContact CE2-CG 4.14Å; P123-V125 PolarHBondContact O-N 3.23Å; P123-Y129 HydrophobicContact CG-CD2 4.46Å
124N89.7Confident96.8Very high95 Ų9516.2 Ų16.251%0.5089%0.09SC..THydrogen-bonded Turntrans64.4-16.9-176.7-66.4-62.2000117.2R403N124-R403 WeakPolarHBondContact O-CD 3.39Å; N124-R403 PolarHBondContact O-NH1 3.25Å; N124-R403 VanDerWaalsContact O-NH1 3.14Å; N124-R403 PolarHBondContact OD1-NH1 3.22Å
125V94.7Very high96.8Very high37 Ų3720.2 Ų20.222%0.22411%0.111CC..THydrogen-bonded Turntrans-110.4-55.9176.4-176.60000110.2M121 P123 L130 V402 Y407M121-V125 HydrophobicContact CB-CB 3.93Å; M121-V125 HydrophobicContact CB-CG1 3.64Å; M121-V125 HydrophobicContact CG-CG1 4.3Å; P123-V125 PolarHBondContact O-N 3.23Å; V125-L130 WeakPolarHBondContact O-CD1 3.21Å; V125-V402 HydrophobicContact CG1-CG1 3.83Å; V125-Y407 WeakPolarHBondContact O-CD2 3.25Å; V125-Y407 WeakPolarHBondContact O-CE2 3.18Å
126S97.7Very high96.8Very high2 Ų220.4 Ų20.41%0.01411%0.112CC..SBendtrans-70.2140.4-170.1-37.50000112.9F118 V119 M121 G122 A128 Y129 L130F118-S126 WeakPolarHBondContact O-CB 3.49Å; V119-S126 PolarHBondContact O-OG 3.48Å; M121-S126 VanDerWaalsContact C-OG 3.25Å; M121-S126 WeakPolarHBondContact CA-OG 3.37Å; M121-S126 WeakPolarHBondContact CB-OG 3.28Å; M121-S126 PolarHBondContact N-OG 2.86Å; M121-S126 VanDerWaalsContact N-OG 3.1Å; G122-S126 PolarHBondContact N-OG 3.07Å; G122-S126 WeakPolarHBondContact O-CB 3.06Å; G122-S126 PolarHBondContact O-N 3.35Å; G122-S126 PolarHBondContact O-OG 2.69Å; S126-A128 VanDerWaalsContact C-N 3.31Å; S126-A128 PolarHBondContact O-N 2.7Å; S126-Y129 PolarHBondContact O-N 3.28Å; S126-L130 PolarHBondContact O-N 2.78Å; S126-L130 VanDerWaalsContact O-N 3.16Å
127L98.5Very high96.9Very high1 Ų120.5 Ų20.51%0.00511%0.113CC..Hα-helixtrans-57.4-39.9-173.6-178.956.5000113.3L107 F118 Y129 L130 L131 L223 Y407 M410L107-L127 HydrophobicContact CD1-CD2 4.3Å; L107-L127 HydrophobicContact CD1-CG 4.18Å; L107-L127 HydrophobicContact CD2-CD2 3.96Å; L107-L127 HydrophobicContact CD2-CG 4.43Å; F118-L127 HydrophobicContact CD1-CB 4.29Å; F118-L127 HydrophobicContact CD1-CD2 4.16Å; F118-L127 HydrophobicContact CE1-CD2 4.25Å; L127-Y129 PolarHBondContact O-N 3.22Å; L127-L130 PolarHBondContact O-N 2.96Å; L127-L131 HydrophobicContact CD1-CD1 3.92Å; L127-L131 HydrophobicContact CD1-CG 3.93Å; L127-L131 HydrophobicContact CG-CD1 3.86Å; L127-L131 HydrophobicContact CG-CG 4.32Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 2.81Å; L127-L223 HydrophobicContact CD2-CD1 3.99Å; L127-Y407 HydrophobicContact CB-CD1 4.49Å; L127-Y407 HydrophobicContact CB-CE1 3.87Å; L127-Y407 HydrophobicContact CB-CE2 4.16Å; L127-Y407 HydrophobicContact CD1-CD1 3.72Å; L127-Y407 HydrophobicContact CD1-CE1 3.88Å; L127-Y407 HydrophobicContact CD1-CG 4.19Å; L127-Y407 HydrophobicContact CD2-CE1 4.06Å; L127-Y407 HydrophobicContact CG-CD1 4.49Å; L127-Y407 HydrophobicContact CG-CE1 4.14Å; L127-M410 HydrophobicContact CD1-CE 3.85Å; L127-M410 HydrophobicContact CD1-SD 3.96Å; L127-M410 HydrophobicContact CD2-CE 4.11Å; L127-M410 HydrophobicContact CD2-SD 4.33Å
128A98.7Very high97Very high0 Ų020.4 Ų20.40%011%0.112CC..Hα-helixtrans-61.9-46.4-176.900000111.9I97 L107 F118 V119 S126 L131 A132 V138 L140I97-A128 HydrophobicContact CD1-CB 3.73Å; L107-A128 HydrophobicContact CD1-CB 3.99Å; F118-A128 HydrophobicContact CB-CB 4.11Å; F118-A128 VanDerWaalsContact O-CB 3.22Å; F118-A128 WeakPolarHBondContact O-CB 2.91Å; F118-A128 PolarHBondContact O-N 3.18Å; V119-A128 HydrophobicContact CG1-CB 3.72Å; S126-A128 VanDerWaalsContact C-N 3.31Å; S126-A128 PolarHBondContact O-N 2.7Å; A128-L131 PolarHBondContact O-N 2.94Å; A128-A132 PolarHBondContact O-N 3.09Å; A128-V138 HydrophobicContact CB-CG1 4.17Å; A128-L140 HydrophobicContact CB-CD2 3.83Å
129Y98.4Very high97Very high0 Ų020.4 Ų20.40%011%0.112CC..Hα-helixtrans-64.5-43.5176.3-60.6-59.2000111.4I72 Y75 Y77 I97 V119 G122 P123 S126 L127 L131 A132 D133I72-Y129 HydrophobicContact CG1-CE1 4.3Å; Y75-Y129 WeakPolarHBondContact CD2-OH 3.47Å; Y77-Y129 HydrophobicContact CD1-CD1 4.12Å; Y77-Y129 AromaticContact CD2-CD1 3.55Å; Y77-Y129 HydrophobicContact CD2-CD1 3.55Å; Y77-Y129 AromaticContact CD2-CE1 3.57Å; Y77-Y129 HydrophobicContact CD2-CE1 3.57Å; Y77-Y129 AromaticContact CE1-CD1 3.9Å; Y77-Y129 HydrophobicContact CE1-CD1 3.9Å; Y77-Y129 AromaticContact CE2-CD1 3.33Å; Y77-Y129 HydrophobicContact CE2-CD1 3.33Å; Y77-Y129 AromaticContact CE2-CE1 3.74Å; Y77-Y129 HydrophobicContact CE2-CE1 3.74Å; Y77-Y129 HydrophobicContact CE2-CG 4.14Å; Y77-Y129 AromaticContact CG-CD1 3.96Å; Y77-Y129 HydrophobicContact CG-CD1 3.96Å; Y77-Y129 HydrophobicContact CG-CE1 4.1Å; Y77-Y129 AromaticContact CZ-CD1 3.51Å; I97-Y129 HydrophobicContact CD1-CD1 3.81Å; I97-Y129 HydrophobicContact CD1-CE1 3.99Å; V119-Y129 HydrophobicContact CB-CE2 3.87Å; V119-Y129 HydrophobicContact CG1-CE2 4.17Å; V119-Y129 WeakPolarHBondContact O-CE2 3.38Å; G122-Y129 VanDerWaalsContact C-CD2 3.4Å; G122-Y129 VanDerWaalsContact O-CD2 3.25Å; G122-Y129 WeakPolarHBondContact O-CD2 3.19Å; P123-Y129 HydrophobicContact CG-CD2 4.46Å; S126-Y129 PolarHBondContact O-N 3.28Å; L127-Y129 PolarHBondContact O-N 3.22Å; Y129-L131 VanDerWaalsContact C-N 3.3Å; Y129-L131 PolarHBondContact O-N 2.82Å; Y129-A132 PolarHBondContact O-N 2.99Å; Y129-D133 WeakPolarHBondContact O-CB 3.2Å; Y129-D133 VanDerWaalsContact O-CG 3.29Å; Y129-D133 PolarHBondContact O-N 3.47Å
130L97.8Very high97Very high2 Ų220.4 Ų20.41%0.0111%0.112CC..Hα-helixtrans-60.2-38.8177.8-69.9175.6000112.6V125 S126 L127 H134 R403 Y407V125-L130 WeakPolarHBondContact O-CD1 3.21Å; S126-L130 PolarHBondContact O-N 2.78Å; S126-L130 VanDerWaalsContact O-N 3.16Å; L127-L130 PolarHBondContact O-N 2.96Å; L130-H134 PolarHBondContact O-N 3.17Å; L130-H134 PolarHBondContact O-ND1 3.3Å; L130-R403 HydrophobicContact CD1-CB 4.4Å; L130-R403 HydrophobicContact CD1-CG 4.22Å; L130-Y407 HydrophobicContact CD1-CD2 3.48Å; L130-Y407 VanDerWaalsContact CD1-CD2 3.48Å; L130-Y407 HydrophobicContact CD1-CE2 4.3Å; L130-Y407 HydrophobicContact CD1-CG 4.07Å
131L98.6Very high97.2Very high0 Ų020.3 Ų20.30%011%0.111CC..Hα-helixtrans-68.9-42.5176-72.1170.1000111.7F105 L107 L127 A128 Y129 D133 H134 N135 Y136 V138 M410 L411 L414F105-L131 HydrophobicContact CD1-CD1 3.86Å; F105-L131 HydrophobicContact CD2-CD1 4.18Å; F105-L131 HydrophobicContact CD2-CD2 3.95Å; F105-L131 HydrophobicContact CE1-CD1 3.99Å; F105-L131 HydrophobicContact CE2-CD1 4.31Å; F105-L131 HydrophobicContact CE2-CD2 3.86Å; F105-L131 HydrophobicContact CG-CD1 3.98Å; F105-L131 HydrophobicContact CZ-CD1 4.23Å; F105-L131 HydrophobicContact CZ-CD2 4.37Å; L107-L131 HydrophobicContact CD1-CD1 4.1Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.3Å; L127-L131 HydrophobicContact CD1-CD1 3.92Å; L127-L131 HydrophobicContact CD1-CG 3.93Å; L127-L131 HydrophobicContact CG-CD1 3.86Å; L127-L131 HydrophobicContact CG-CG 4.32Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 2.81Å; A128-L131 PolarHBondContact O-N 2.94Å; Y129-L131 VanDerWaalsContact C-N 3.3Å; Y129-L131 PolarHBondContact O-N 2.82Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 2.83Å; L131-H134 CarbonylContact O-C 3.55Å; L131-H134 PolarHBondContact O-N 3.32Å; L131-N135 PolarHBondContact O-N 2.87Å; L131-Y136 HydrophobicContact CB-CD2 4.23Å; L131-Y136 HydrophobicContact CD2-CD2 3.75Å; L131-Y136 HydrophobicContact CD2-CE2 3.98Å; L131-Y136 WeakPolarHBondContact O-CB 3.35Å; L131-Y136 PolarHBondContact O-N 2.9Å; L131-Y136 VanDerWaalsContact O-N 3.16Å; L131-V138 HydrophobicContact CB-CG2 3.67Å; L131-M410 HydrophobicContact CD1-CE 4.44Å; L131-M410 HydrophobicContact CD2-CE 4.36Å; L131-L411 HydrophobicContact CD2-CD2 4.22Å; L131-L414 HydrophobicContact CD2-CD1 3.99Å
132A98.2Very high97.3Very high5 Ų519.5 Ų19.54%0.04111%0.107CC..Hα-helixtrans-59.6-42.3175.600000111.7Y77 I97 A128 Y129 H134 N135 V138Y77-A132 HydrophobicContact CD1-CB 4.26Å; Y77-A132 HydrophobicContact CE1-CB 4.12Å; I97-A132 HydrophobicContact CB-CB 4.41Å; I97-A132 HydrophobicContact CG2-CB 3.68Å; A128-A132 PolarHBondContact O-N 3.09Å; Y129-A132 PolarHBondContact O-N 2.99Å; A132-H134 PolarHBondContact O-N 2.81Å; A132-N135 PolarHBondContact O-N 2.84Å; A132-V138 HydrophobicContact CB-CG2 4.12Å
133D97.1Very high97.5Very high86 Ų8619.4 Ų19.446%0.4611%0.106SC..Hα-helixtrans-63.5-26.7175.4-71.9-18.8000112.9Y77 Y129 L131 N135Y77-D133 PolarHBondContact OH-OD1 3.13Å; Y129-D133 WeakPolarHBondContact O-CB 3.2Å; Y129-D133 VanDerWaalsContact O-CG 3.29Å; Y129-D133 PolarHBondContact O-N 3.47Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 2.83Å; D133-N135 VanDerWaalsContact C-N 3.28Å; D133-N135 PolarHBondContact O-N 2.92Å
134H97.3Very high97.7Very high52 Ų5218 Ų1824%0.24110%0.096CC..THydrogen-bonded Turntrans-94.524174.3-67.681.3000113.2L130 L131 A132 L411 K416L130-H134 PolarHBondContact O-N 3.17Å; L130-H134 PolarHBondContact O-ND1 3.3Å; L131-H134 CarbonylContact O-C 3.55Å; L131-H134 PolarHBondContact O-N 3.32Å; A132-H134 PolarHBondContact O-N 2.81Å; H134-L411 HydrophobicContact CB-CD2 4.16Å; H134-K416 HydrophobicContact CB-CB 4.28Å; H134-K416 HydrophobicContact CB-CD 4.46Å; H134-K416 HydrophobicContact CB-CG 4.26Å; H134-K416 PolarHBondContact O-NZ 2.77Å; H134-K416 VanDerWaalsContact O-NZ 3.16Å
135N97.2Very high98Very high85 Ų8513.4 Ų13.446%0.4557%0.072SC..THydrogen-bonded Turntrans61.948.9172.6-158.552.9000112.9K99 A102 L131 A132 D133K99-N135 VanDerWaalsContact CE-OD1 3.22Å; K99-N135 WeakPolarHBondContact CE-OD1 2.9Å; A102-N135 WeakPolarHBondContact CB-O 3.39Å; L131-N135 PolarHBondContact O-N 2.87Å; A132-N135 PolarHBondContact O-N 2.84Å; D133-N135 VanDerWaalsContact C-N 3.28Å; D133-N135 PolarHBondContact O-N 2.92Å
136Y98.7Very high98.1Very high4 Ų411.9 Ų11.92%0.0166%0.062CC..  trans-106.2149.8162.9-74.4-70000110.6K99 P103 F105 L131 H192 L414 K416K99-Y136 VanDerWaalsContact CB-O 3.27Å; K99-Y136 WeakPolarHBondContact CB-O 3.33Å; P103-Y136 HydrophobicContact CB-CD1 4.08Å; P103-Y136 HydrophobicContact CB-CE1 4.17Å; P103-Y136 WeakPolarHBondContact O-CD1 3.48Å; F105-Y136 HydrophobicContact CB-CD1 4.2Å; F105-Y136 HydrophobicContact CB-CG 4.22Å; F105-Y136 AromaticContact CD2-CD1 3.88Å; F105-Y136 HydrophobicContact CD2-CD1 3.88Å; F105-Y136 HydrophobicContact CD2-CD2 4.04Å; F105-Y136 AromaticContact CD2-CE1 3.94Å; F105-Y136 HydrophobicContact CD2-CE1 3.94Å; F105-Y136 HydrophobicContact CD2-CE2 4.05Å; F105-Y136 AromaticContact CD2-CG 3.94Å; F105-Y136 HydrophobicContact CD2-CG 3.94Å; F105-Y136 HydrophobicContact CE2-CE2 4.37Å; L131-Y136 HydrophobicContact CB-CD2 4.23Å; L131-Y136 HydrophobicContact CD2-CD2 3.75Å; L131-Y136 HydrophobicContact CD2-CE2 3.98Å; L131-Y136 WeakPolarHBondContact O-CB 3.35Å; L131-Y136 PolarHBondContact O-N 2.9Å; L131-Y136 VanDerWaalsContact O-N 3.16Å; Y136-H192 AromaticContact CE1-CD2 3.53Å; Y136-H192 AromaticContact CE1-NE2 3.78Å; Y136-L414 HydrophobicContact CE2-CD1 4.32Å; Y136-K416 HydrophobicContact CE2-CD 4.24Å; Y136-K416 HydrophobicContact CE2-CG 3.97Å; Y136-K416 WeakPolarHBondContact OH-CE 3.32Å
137D98.8Very high97.9Very high2 Ų214.6 Ų14.61%0.0117%0.073CC..EExtended strand (participates in β ladder)trans-88.9104.9166.4-178.339.4000108.4R96 R98 K99 A102 P103 P104 F105 W139 T186R96-D137 IonicContact CZ-OD1 3.11Å; R96-D137 IonicContact CZ-OD2 2.72Å; R96-D137 IonicContact NE-OD1 3.34Å; R96-D137 PolarHBondContact NE-OD1 3.27Å; R96-D137 IonicContact NE-OD2 2.74Å; R96-D137 PolarHBondContact NE-OD2 3.12Å; R96-D137 VanDerWaalsContact NH2-CG 3.27Å; R96-D137 IonicContact NH2-OD1 3.22Å; R96-D137 PolarHBondContact NH2-OD1 3Å; R96-D137 IonicContact NH2-OD2 3.14Å; R96-D137 PolarHBondContact NH2-OD2 3.4Å; R98-D137 WeakPolarHBondContact CA-OD1 3.32Å; K99-D137 HydrophobicContact CB-CB 4.25Å; K99-D137 PolarHBondContact N-OD1 3.41Å; A102-D137 HydrophobicContact CB-CB 4.24Å; P103-D137 PolarHBondContact O-N 2.8Å; P104-D137 CarbonylContact C-O 3.45Å; P104-D137 VanDerWaalsContact CA-O 3.32Å; P104-D137 WeakPolarHBondContact CA-O 3.37Å; F105-D137 PolarHBondContact N-O 2.82Å; D137-W139 PolarHBondContact OD2-NE1 3.44Å; D137-T186 WeakPolarHBondContact OD2-CG2 3.44Å
138V98.9Very high97.8Very high0 Ų016.5 Ų16.50%08%0.08CC..EExtended strand (participates in β ladder)trans-97.1125-164.6-174.10000110.3R96 I97 F105 L107 A128 L131 A132 L140R96-V138 CarbonylContact C-O 3.58Å; R96-V138 VanDerWaalsContact CA-O 3.24Å; R96-V138 WeakPolarHBondContact CA-O 3.21Å; R96-V138 WeakPolarHBondContact CG-O 3.38Å; I97-V138 HydrophobicContact CB-CB 4.18Å; I97-V138 PolarHBondContact N-O 3.37Å; I97-V138 PolarHBondContact O-N 3.18Å; I97-V138 VanDerWaalsContact O-N 3.09Å; F105-V138 WeakPolarHBondContact O-CA 3.45Å; L107-V138 HydrophobicContact CD1-CG1 3.95Å; L107-V138 HydrophobicContact CG-CG1 4.2Å; A128-V138 HydrophobicContact CB-CG1 4.17Å; L131-V138 HydrophobicContact CB-CG2 3.67Å; A132-V138 HydrophobicContact CB-CG2 4.12Å; V138-L140 HydrophobicContact CG1-CD2 4.05Å
139W98.9Very high97.8Very high0 Ų016.6 Ų16.60%08%0.08CC..EExtended strand (participates in β ladder)trans-112.1134.4176.7-67.978.4000109.2H82 M94 R96 F105 L106 L107 D137 H181 V182 V185 T186H82-W139 HydrophobicContact CB-CZ3 4.11Å; H82-W139 AromaticContact CD2-CH2 3.91Å; H82-W139 AromaticContact CD2-CZ3 3.63Å; H82-W139 AromaticContact CE1-CH2 3.61Å; H82-W139 AromaticContact CG-CH2 3.96Å; H82-W139 AromaticContact CG-CZ3 3.6Å; H82-W139 AromaticContact ND1-CH2 3.76Å; H82-W139 AromaticContact ND1-CZ3 3.87Å; H82-W139 AromaticContact NE2-CH2 3.69Å; H82-W139 AromaticContact NE2-CZ3 3.92Å; M94-W139 HydrophobicContact CE-CB 4.24Å; M94-W139 HydrophobicContact CE-CE3 4.07Å; M94-W139 HydrophobicContact SD-CE3 4.43Å; R96-W139 HydrophobicContact CB-CD2 4.2Å; R96-W139 HydrophobicContact CB-CE3 4.14Å; R96-W139 HydrophobicContact CB-CZ3 4.47Å; R96-W139 VanDerWaalsContact CD-CZ2 3.48Å; R96-W139 HydrophobicContact CG-CD2 3.87Å; R96-W139 HydrophobicContact CG-CE3 4.28Å; R96-W139 HydrophobicContact CG-CG 4.26Å; R96-W139 HydrophobicContact CG-CZ2 4.23Å; F105-W139 PolarHBondContact O-N 3.04Å; L106-W139 CarbonylContact C-O 3.57Å; L106-W139 WeakPolarHBondContact CA-O 3.33Å; L106-W139 HydrophobicContact CD1-CB 3.96Å; L107-W139 PolarHBondContact N-O 3.41Å; D137-W139 PolarHBondContact OD2-NE1 3.44Å; W139-H181 AromaticContact CZ3-CD2 3.78Å; W139-V182 HydrophobicContact CB-CG2 4.07Å; W139-V182 HydrophobicContact CD2-CB 4.44Å; W139-V182 HydrophobicContact CD2-CG1 4.33Å; W139-V182 HydrophobicContact CD2-CG2 3.55Å; W139-V182 HydrophobicContact CE3-CG2 3.77Å; W139-V182 HydrophobicContact CG-CG1 4.17Å; W139-V182 HydrophobicContact CG-CG2 3.69Å; W139-V182 HydrophobicContact CZ3-CG2 4.35Å; W139-V185 HydrophobicContact CH2-CB 4.05Å; W139-V185 HydrophobicContact CH2-CG1 3.88Å; W139-V185 HydrophobicContact CH2-CG2 4.29Å; W139-V185 HydrophobicContact CZ2-CB 4.12Å; W139-V185 HydrophobicContact CZ2-CG1 3.85Å; W139-T186 HydrophobicContact CZ2-CG2 4.03Å
140L98.9Very high97.7Very high0 Ų019.7 Ų19.70%09%0.092CC..EExtended strand (participates in β ladder)trans-117.3105.5-177.1-51.7171.5000107.7V68 I72 M94 H95 L107 F118 V119 A128 V138V68-L140 HydrophobicContact CG1-CD1 4.15Å; I72-L140 HydrophobicContact CD1-CD1 3.87Å; M94-L140 WeakPolarHBondContact CA-O 3.39Å; H95-L140 HydrophobicContact CB-CB 4.16Å; H95-L140 HydrophobicContact CB-CD1 4.1Å; H95-L140 PolarHBondContact N-O 3.48Å; H95-L140 PolarHBondContact O-N 3.21Å; L107-L140 HydrophobicContact CB-CD2 3.94Å; L107-L140 HydrophobicContact CD1-CD2 3.69Å; L107-L140 HydrophobicContact CG-CD2 4.16Å; F118-L140 HydrophobicContact CB-CD2 4.04Å; F118-L140 HydrophobicContact CD2-CD2 4.41Å; V119-L140 HydrophobicContact CG1-CD1 3.93Å; A128-L140 HydrophobicContact CB-CD2 3.83Å; V138-L140 HydrophobicContact CG1-CD2 4.05Å
141G98.8Very high97.7Very high0 Ų023.5 Ų23.50%011%0.112CC..EExtended strand (participates in β ladder)trans-75.2145.9179.400000111.7L107 H109L107-G141 PolarHBondContact O-N 3.06Å; H109-G141 PolarHBondContact CD2-O 2.87Å
142N98.8Very high97.7Very high0 Ų024.3 Ų24.30%012%0.116CC..  trans-119126163.9-71.4-66.6000108.9T93 H95 S114 S115 N146 Y148 S149 M178T93-N142 VanDerWaalsContact O-CB 3.25Å; T93-N142 WeakPolarHBondContact O-CB 3.15Å; T93-N142 PolarHBondContact O-ND2 3.13Å; H95-N142 PolarHBondContact ND1-ND2 2.93Å; S114-N142 WeakPolarHBondContact CB-OD1 3.48Å; S115-N142 PolarHBondContact N-OD1 3.25Å; S115-N142 PolarHBondContact OG-ND2 2.94Å; S115-N142 PolarHBondContact OG-OD1 3.22Å; S115-N142 VanDerWaalsContact OG-OD1 3.09Å; N142-N146 WeakPolarHBondContact CB-ND2 3.4Å; N142-N146 PolarHBondContact OD1-ND2 3.28Å; N142-Y148 WeakPolarHBondContact OD1-CD2 3.24Å; N142-S149 WeakPolarHBondContact CB-OG 3.32Å; N142-S149 PolarHBondContact O-OG 2.98Å; N142-M178 WeakPolarHBondContact O-CE 3.14Å
143A98.6Very high97.7Very high3 Ų328 Ų283%0.02514%0.138CC..  trans-70152.8175.100000111.2H109 G145 N146 S149 I170H109-A143 PolarHBondContact NE2-N 3.27Å; A143-G145 PolarHBondContact O-N 3.37Å; A143-N146 PolarHBondContact O-N 2.82Å; A143-S149 WeakPolarHBondContact O-CB 3.22Å; A143-I170 HydrophobicContact CB-CD1 3.69Å; A143-I170 HydrophobicContact CB-CG1 4.16Å; A143-I170 HydrophobicContact CB-CG2 4.12Å
144R98.5Very high97.8Very high3 Ų329.2 Ų29.21%0.01115%0.149CC..THydrogen-bonded Turntrans-46.3137.3171.661.6179.866.7-160.4-8.8112.1D88 Y90 L92 N146 F165 I170 Y173 D174D88-R144 IonicContact OD1-CZ 3.9Å; D88-R144 IonicContact OD1-NH1 4Å; D88-R144 IonicContact OD1-NH2 3.86Å; D88-R144 PolarHBondContact OD1-NH2 3.03Å; D88-R144 IonicContact OD2-CZ 3.19Å; D88-R144 IonicContact OD2-NH1 3.17Å; D88-R144 PolarHBondContact OD2-NH1 3.35Å; D88-R144 IonicContact OD2-NH2 2.87Å; D88-R144 PolarHBondContact OD2-NH2 3.36Å; Y90-R144 HydrophobicContact CD1-CB 3.5Å; Y90-R144 VanDerWaalsContact CD1-CB 3.5Å; Y90-R144 HydrophobicContact CD1-CG 4.4Å; Y90-R144 VanDerWaalsContact CD2-CZ 3.43Å; Y90-R144 HydrophobicContact CE1-CB 4.01Å; Y90-R144 HydrophobicContact CG-CB 3.92Å; L92-R144 HydrophobicContact CD2-CB 3.88Å; R144-N146 VanDerWaalsContact C-N 3.27Å; R144-N146 PolarHBondContact O-N 3.48Å; R144-F165 HydrophobicContact CB-CZ 4.44Å; R144-F165 VanDerWaalsContact CD-CD2 3.44Å; R144-F165 HydrophobicContact CG-CD1 4.21Å; R144-F165 HydrophobicContact CG-CD2 3.59Å; R144-F165 HydrophobicContact CG-CE1 4.12Å; R144-F165 HydrophobicContact CG-CE2 3.49Å; R144-F165 VanDerWaalsContact CG-CE2 3.49Å; R144-F165 HydrophobicContact CG-CG 3.95Å; R144-F165 HydrophobicContact CG-CZ 3.79Å; R144-F165 WeakPolarHBondContact O-CE2 3.43Å; R144-F165 WeakPolarHBondContact O-CZ 3.48Å; R144-I170 HydrophobicContact CG-CG1 4.2Å; R144-Y173 VanDerWaalsContact NH2-CB 3.29Å; R144-D174 WeakPolarHBondContact CG-OD2 3.27Å; R144-D174 IonicContact CZ-OD1 3.73Å; R144-D174 PolarHBondContact N-OD2 2.63Å; R144-D174 IonicContact NE-OD1 2.68Å; R144-D174 PolarHBondContact NE-OD1 2.74Å; R144-D174 IonicContact NE-OD2 2.68Å; R144-D174 PolarHBondContact NE-OD2 2.79Å; R144-D174 IonicContact NH2-OD1 3.89Å; R144-D174 PolarHBondContact NH2-OD1 2.96Å
145G95.8Very high97.8Very high0 Ų028.1 Ų28.10%015%0.145CC..THydrogen-bonded Turntrans72.91.7175.600000116.7A143 S149 W163A143-G145 PolarHBondContact O-N 3.37Å; G145-S149 PolarHBondContact N-O 2.85Å; G145-W163 VanDerWaalsContact O-CH2 3.31Å; G145-W163 WeakPolarHBondContact O-CH2 3.23Å; G145-W163 WeakPolarHBondContact O-CZ3 3.34Å
146N95.2Very high97.7Very high4 Ų427.5 Ų27.52%0.02114%0.141CC..SBendtrans-73.9168.1158.888.83000109.9H109 D113 S114 N142 A143 R144 Y148 S149 R150 A304H109-N146 PolarHBondContact NE2-ND2 2.93Å; D113-N146 PolarHBondContact O-ND2 2.94Å; S114-N146 WeakPolarHBondContact CB-ND2 3.23Å; N142-N146 WeakPolarHBondContact CB-ND2 3.4Å; N142-N146 PolarHBondContact OD1-ND2 3.28Å; A143-N146 PolarHBondContact O-N 2.82Å; R144-N146 VanDerWaalsContact C-N 3.27Å; R144-N146 PolarHBondContact O-N 3.48Å; N146-Y148 PolarHBondContact O-N 3.15Å; N146-Y148 PolarHBondContact OD1-N 3.32Å; N146-S149 CarbonylContact O-C 3.48Å; N146-S149 PolarHBondContact O-N 2.95Å; N146-S149 PolarHBondContact OD1-N 2.95Å; N146-R150 WeakPolarHBondContact O-CG 3.43Å; N146-R150 PolarHBondContact O-N 2.94Å; N146-A304 CarbonylContact C-O 3.48Å; N146-A304 VanDerWaalsContact CA-O 3.26Å; N146-A304 WeakPolarHBondContact CA-O 3.47Å
147R94.4Very high97.5Very high60 Ų6028.4 Ų28.423%0.22615%0.148CC..THydrogen-bonded Turntrans-52.5-27-173.470.7169.869.6-177.78.8115G300 H301 P303 A304R147-G300 PolarHBondContact NH1-O 3.05Å; R147-G300 PolarHBondContact NH2-O 3.41Å; R147-G300 VanDerWaalsContact NH2-O 3.16Å; R147-H301 PolarHBondContact NH2-O 2.89Å; R147-P303 PolarHBondContact NH2-O 3.02Å; R147-A304 HydrophobicContact CG-CB 4.19Å; R147-A304 PolarHBondContact N-O 3.3Å
148Y97.2Very high97.2Very high41 Ų4133.7 Ų33.716%0.16118%0.176CC..THydrogen-bonded Turntrans-90.6-16.3179.9-62.9-71.8000113.2V68 T93 H95 S114 N142 N146V68-Y148 HydrophobicContact CG2-CE2 4.11Å; V68-Y148 WeakPolarHBondContact CG2-OH 3.49Å; T93-Y148 WeakPolarHBondContact CB-O 3.36Å; T93-Y148 PolarHBondContact OG1-O 3.11Å; H95-Y148 AromaticContact CE1-CD1 3.66Å; H95-Y148 AromaticContact CE1-CE1 3.89Å; H95-Y148 AromaticContact CE1-CG 3.84Å; S114-Y148 WeakPolarHBondContact OG-CE2 3.35Å; N142-Y148 WeakPolarHBondContact OD1-CD2 3.24Å; N146-Y148 PolarHBondContact O-N 3.15Å; N146-Y148 PolarHBondContact OD1-N 3.32Å
149S98Very high96.8Very high1 Ų138.9 Ų38.91%0.00720%0.2CC..  trans-127.341.5-174-53.70000112.4T93 N142 A143 G145 N146 N151T93-S149 PolarHBondContact N-OG 2.52Å; T93-S149 VanDerWaalsContact N-OG 3.12Å; N142-S149 WeakPolarHBondContact CB-OG 3.32Å; N142-S149 PolarHBondContact O-OG 2.98Å; A143-S149 WeakPolarHBondContact O-CB 3.22Å; G145-S149 PolarHBondContact N-O 2.85Å; N146-S149 CarbonylContact O-C 3.48Å; N146-S149 PolarHBondContact O-N 2.95Å; N146-S149 PolarHBondContact OD1-N 2.95Å; S149-N151 VanDerWaalsContact C-N 3.25Å; S149-N151 PolarHBondContact O-N 3.49Å
150R96.5Very high96.5Very high66 Ų6641.7 Ų41.725%0.24922%0.22CC..  trans-85.955.7170.7-69.6174.258.2876.5111N146 P157 D158 E255N146-R150 WeakPolarHBondContact O-CG 3.43Å; N146-R150 PolarHBondContact O-N 2.94Å; R150-P157 HydrophobicContact CB-CB 4.28Å; R150-P157 HydrophobicContact CB-CG 4.43Å; R150-P157 WeakPolarHBondContact O-CG 3.05Å; R150-D158 IonicContact NH2-OD1 3.97Å; R150-D158 PolarHBondContact NH2-OD1 3.46Å; R150-E255 IonicContact CZ-OE1 3.5Å; R150-E255 IonicContact CZ-OE2 3.6Å; R150-E255 IonicContact NH1-OE1 3.63Å; R150-E255 PolarHBondContact NH1-OE1 3.43Å; R150-E255 IonicContact NH1-OE2 2.63Å; R150-E255 PolarHBondContact NH1-OE2 3.12Å; R150-E255 IonicContact NH2-OE2 2.83Å
151N97.8Very high96.3Very high81 Ų8148.5 Ų48.543%0.43325%0.25SC..  trans-149.4147.9-177.1-161.7-3.8000111.8I91 S149I91-N151 HydrophobicContact CB-CB 4.11Å; I91-N151 PolarHBondContact N-O 2.96Å; S149-N151 VanDerWaalsContact C-N 3.25Å; S149-N151 PolarHBondContact O-N 3.49Å
152H98.6Very high96.2Very high18 Ų1848.5 Ų48.58%0.08325%0.25CC..BIsolated β-bridgetrans-151.6153.5-178.7-163.4-68000110.2D88 G89 Y90 T154 L155 F162D88-H152 PolarHBondContact O-CE1 2.97Å; D88-H152 VanDerWaalsContact O-CE1 3.23Å; D88-H152 PolarHBondContact O-NE2 3.38Å; D88-H152 VanDerWaalsContact O-NE2 3.07Å; G89-H152 CarbonylContact O-C 3.56Å; G89-H152 WeakPolarHBondContact O-CA 3.49Å; G89-H152 VanDerWaalsContact O-CG 3.28Å; G89-H152 PolarHBondContact O-ND1 2.66Å; Y90-H152 AromaticContact CD1-CD2 3.92Å; Y90-H152 AromaticContact CD2-CD2 3.51Å; Y90-H152 AromaticContact CD2-NE2 3.71Å; Y90-H152 AromaticContact CE2-CD2 3.58Å; Y90-H152 AromaticContact CE2-NE2 3.69Å; Y90-H152 AromaticContact CG-CD2 3.68Å; Y90-H152 AromaticContact CZ-CD2 3.86Å; H152-T154 PolarHBondContact CE1-OG1 3.14Å; H152-T154 PolarHBondContact ND1-N 2.98Å; H152-T154 VanDerWaalsContact ND1-N 3.17Å; H152-T154 PolarHBondContact ND1-OG1 2.8Å; H152-T154 PolarHBondContact O-N 2.88Å; H152-T154 VanDerWaalsContact O-N 3.17Å; H152-L155 HydrophobicContact CB-CB 3.95Å; H152-L155 WeakPolarHBondContact CB-O 3.36Å; H152-L155 PolarHBondContact ND1-N 3.19Å; H152-L155 WeakPolarHBondContact NE2-CD1 3.2Å; H152-F162 HydrophobicContact CB-CD2 4.01Å; H152-F162 HydrophobicContact CB-CE2 4.01Å
153T98.4Very high96Very high81 Ų8149.1 Ų49.150%0.49725%0.252SS..SBendtrans-64-17.5177.1570000115.2T85 G89 I91T85-T153 HydrophobicContact CG2-CG2 3.86Å; G89-T153 WeakPolarHBondContact O-CG2 3.47Å; G89-T153 PolarHBondContact O-N 2.91Å; G89-T153 PolarHBondContact O-OG1 3.12Å; I91-T153 HydrophobicContact CD1-CG2 4.37Å; I91-T153 HydrophobicContact CG1-CG2 4.42Å
154T98Very high95.9Very high113 Ų11353.7 Ų53.769%0.69328%0.276SS*.SBendtrans-153.6-25.8-169.756.60000114.2H152H152-T154 PolarHBondContact CE1-OG1 3.14Å; H152-T154 PolarHBondContact ND1-N 2.98Å; H152-T154 VanDerWaalsContact ND1-N 3.17Å; H152-T154 PolarHBondContact ND1-OG1 2.8Å; H152-T154 PolarHBondContact O-N 2.88Å; H152-T154 VanDerWaalsContact O-N 3.17Å
155L97.5Very high95.8Very high29 Ų2953.6 Ų53.615%0.15228%0.275CS..  trans-91.4138.9179.3-56.8-177.5000110.9H152 K161 F162H152-L155 HydrophobicContact CB-CB 3.95Å; H152-L155 WeakPolarHBondContact CB-O 3.36Å; H152-L155 PolarHBondContact ND1-N 3.19Å; H152-L155 WeakPolarHBondContact NE2-CD1 3.2Å; L155-K161 HydrophobicContact CD1-CG 4.14Å; L155-K161 HydrophobicContact CD2-CB 4.25Å; L155-K161 HydrophobicContact CD2-CD 3.61Å; L155-K161 HydrophobicContact CD2-CG 3.82Å; L155-F162 HydrophobicContact CB-CB 4.18Å; L155-F162 HydrophobicContact CB-CD2 4.22Å
156D95.8Very high95.9Very high72 Ų7253.6 Ų53.639%0.38528%0.275SS..  trans-84125.1173.8-172.3-23.5000110.3D158 E159 F162D156-D158 PolarHBondContact O-N 3.28Å; D156-D158 VanDerWaalsContact O-N 3.09Å; D156-D158 PolarHBondContact OD1-N 2.89Å; D156-E159 HydrophobicContact CB-CB 4.28Å; D156-E159 HydrophobicContact CB-CG 3.95Å; D156-E159 PolarHBondContact O-N 2.75Å; D156-F162 WeakPolarHBondContact O-CB 3.47Å
157P94.5Very high96Very high23 Ų2353.4 Ų53.415%0.14927%0.274CS..THydrogen-bonded Turntrans-54.9-17.7173-24.234000115.7R150 F162 W163R150-P157 HydrophobicContact CB-CB 4.28Å; R150-P157 HydrophobicContact CB-CG 4.43Å; R150-P157 WeakPolarHBondContact O-CG 3.05Å; P157-F162 HydrophobicContact CB-CD1 4.21Å; P157-F162 HydrophobicContact CB-CD2 4.42Å; P157-F162 HydrophobicContact CB-CE1 4.25Å; P157-F162 HydrophobicContact CB-CE2 4.46Å; P157-F162 HydrophobicContact CB-CG 4.33Å; P157-F162 HydrophobicContact CB-CZ 4.4Å; P157-F162 HydrophobicContact CG-CD2 4.2Å; P157-F162 HydrophobicContact CG-CE2 4.09Å; P157-F162 HydrophobicContact CG-CZ 4.38Å; P157-W163 PolarHBondContact O-NE1 3.05Å
158D91Very high96.2Very high113 Ų11352 Ų5260%0.60427%0.271SS*.THydrogen-bonded Turntrans-88.7-8176.9-61.4-28000112.4R150 D156 R254R150-D158 IonicContact NH2-OD1 3.97Å; R150-D158 PolarHBondContact NH2-OD1 3.46Å; D156-D158 PolarHBondContact O-N 3.28Å; D156-D158 VanDerWaalsContact O-N 3.09Å; D156-D158 PolarHBondContact OD1-N 2.89Å; D158-R254 PolarHBondContact O-NH1 2.94Å
159E92.1Very high96.3Very high108 Ų10851.6 Ų51.651%0.50527%0.27SS..SBendtrans-98.6150.2179.7-70.6-169.7178.300114.4D156 K161 F162 W163D156-E159 HydrophobicContact CB-CB 4.28Å; D156-E159 HydrophobicContact CB-CG 3.95Å; D156-E159 PolarHBondContact O-N 2.75Å; E159-K161 PolarHBondContact O-N 2.86Å; E159-K161 VanDerWaalsContact O-N 3.09Å; E159-F162 PolarHBondContact O-N 2.85Å; E159-W163 VanDerWaalsContact O-CD1 3.31Å
160S91.8Very high96.3Very high60 Ų6051.6 Ų51.642%0.4227%0.27SS..G310 helixtrans-52.6-36.2179.5-73.40000114.2F162 W163 R254S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.49Å; S160-W163 PolarHBondContact O-N 3.19Å; S160-R254 VanDerWaalsContact N-NH1 3.15Å; S160-R254 PolarHBondContact OG-NE 3.43Å; S160-R254 PolarHBondContact OG-NH2 2.93Å
161K94.4Very high96.4Very high143 Ų14348.4 Ų48.462%0.62226%0.258SS*.G310 helixtrans-68.5-30.8-171-167.8173.4173.5-170.10111.8L155 E159 W163 D164L155-K161 HydrophobicContact CD1-CG 4.14Å; L155-K161 HydrophobicContact CD2-CB 4.25Å; L155-K161 HydrophobicContact CD2-CD 3.61Å; L155-K161 HydrophobicContact CD2-CG 3.82Å; E159-K161 PolarHBondContact O-N 2.86Å; E159-K161 VanDerWaalsContact O-N 3.09Å; K161-W163 PolarHBondContact O-N 2.94Å; K161-D164 PolarHBondContact O-N 3.16Å
162F97.1Very high96.5Very high0 Ų046.1 Ų46.10%025%0.245CC..G310 helixtrans-64.9-23.7172.4179.9-86.7000112.8Y90 H152 L155 D156 P157 E159 S160 F165Y90-F162 HydrophobicContact CD1-CD2 4.4Å; Y90-F162 AromaticContact CD1-CE2 3.76Å; Y90-F162 HydrophobicContact CD1-CE2 3.76Å; Y90-F162 AromaticContact CD1-CZ 4Å; Y90-F162 HydrophobicContact CD1-CZ 4Å; Y90-F162 AromaticContact CE1-CD2 3.87Å; Y90-F162 HydrophobicContact CE1-CD2 3.87Å; Y90-F162 HydrophobicContact CE1-CE1 4.3Å; Y90-F162 AromaticContact CE1-CE2 3.61Å; Y90-F162 HydrophobicContact CE1-CE2 3.61Å; Y90-F162 HydrophobicContact CE1-CG 4.29Å; Y90-F162 AromaticContact CE1-CZ 3.82Å; Y90-F162 HydrophobicContact CE1-CZ 3.82Å; Y90-F162 WeakPolarHBondContact CE1-O 3.2Å; Y90-F162 PolarHBondContact OH-O 3.33Å; H152-F162 HydrophobicContact CB-CD2 4.01Å; H152-F162 HydrophobicContact CB-CE2 4.01Å; L155-F162 HydrophobicContact CB-CB 4.18Å; L155-F162 HydrophobicContact CB-CD2 4.22Å; D156-F162 WeakPolarHBondContact O-CB 3.47Å; P157-F162 HydrophobicContact CB-CD1 4.21Å; P157-F162 HydrophobicContact CB-CD2 4.42Å; P157-F162 HydrophobicContact CB-CE1 4.25Å; P157-F162 HydrophobicContact CB-CE2 4.46Å; P157-F162 HydrophobicContact CB-CG 4.33Å; P157-F162 HydrophobicContact CB-CZ 4.4Å; P157-F162 HydrophobicContact CG-CD2 4.2Å; P157-F162 HydrophobicContact CG-CE2 4.09Å; P157-F162 HydrophobicContact CG-CZ 4.38Å; E159-F162 PolarHBondContact O-N 2.85Å; S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 3.49Å; F162-F165 VanDerWaalsContact O-CD1 3.24Å; F162-F165 WeakPolarHBondContact O-CD1 3.44Å; F162-F165 VanDerWaalsContact O-CE1 3.25Å; F162-F165 WeakPolarHBondContact O-CE1 3.37Å
163W95.5Very high96.5Very high13 Ų1348.5 Ų48.55%0.04925%0.254CS..G310 helixtrans-100.76.6-176.6-61.695.5000113.9G145 P157 E159 S160 K161 F165 R254 E255 A307G145-W163 VanDerWaalsContact O-CH2 3.31Å; G145-W163 WeakPolarHBondContact O-CH2 3.23Å; G145-W163 WeakPolarHBondContact O-CZ3 3.34Å; P157-W163 PolarHBondContact O-NE1 3.05Å; E159-W163 VanDerWaalsContact O-CD1 3.31Å; S160-W163 PolarHBondContact O-N 3.19Å; K161-W163 PolarHBondContact O-N 2.94Å; W163-F165 HydrophobicContact CE3-CE1 4.15Å; W163-F165 HydrophobicContact CE3-CZ 4.25Å; W163-F165 HydrophobicContact CZ3-CZ 4.5Å; W163-F165 PolarHBondContact O-N 3.01Å; W163-R254 HydrophobicContact CB-CB 3.87Å; W163-R254 HydrophobicContact CG-CB 3.79Å; W163-E255 HydrophobicContact CD2-CB 4.07Å; W163-E255 HydrophobicContact CE3-CB 4.15Å; W163-E255 HydrophobicContact CH2-CB 3.79Å; W163-E255 HydrophobicContact CH2-CG 3.5Å; W163-E255 VanDerWaalsContact CH2-CG 3.5Å; W163-E255 WeakPolarHBondContact CH2-OE1 3.43Å; W163-E255 HydrophobicContact CZ2-CB 3.71Å; W163-E255 VanDerWaalsContact CZ2-CD 3.47Å; W163-E255 HydrophobicContact CZ2-CG 3.83Å; W163-E255 HydrophobicContact CZ3-CB 4.01Å; W163-E255 HydrophobicContact CZ3-CG 3.88Å; W163-A307 HydrophobicContact CE3-CB 3.93Å
164D94.9Very high96.5Very high98 Ų9844.6 Ų44.652%0.52423%0.23SC..  trans-8244.6-177.5-167.220.8000113.6K161 K309K161-D164 PolarHBondContact O-N 3.16Å; D164-K309 PolarHBondContact O-NZ 2.82Å; D164-K309 WeakPolarHBondContact OD1-CD 3.49Å; D164-K309 IonicContact OD1-NZ 2.7Å; D164-K309 PolarHBondContact OD1-NZ 3.06Å
165F97.2Very high96.5Very high1 Ų139.2 Ų39.20%0.00420%0.197CC..  trans-128.6160.4178.768.2-95.4000112.2Y90 R144 F162 W163 E169 A307 K309 Q310Y90-F165 HydrophobicContact CE1-CD1 4.1Å; Y90-F165 HydrophobicContact CE1-CE1 4.18Å; R144-F165 HydrophobicContact CB-CZ 4.44Å; R144-F165 VanDerWaalsContact CD-CD2 3.44Å; R144-F165 HydrophobicContact CG-CD1 4.21Å; R144-F165 HydrophobicContact CG-CD2 3.59Å; R144-F165 HydrophobicContact CG-CE1 4.12Å; R144-F165 HydrophobicContact CG-CE2 3.49Å; R144-F165 VanDerWaalsContact CG-CE2 3.49Å; R144-F165 HydrophobicContact CG-CG 3.95Å; R144-F165 HydrophobicContact CG-CZ 3.79Å; R144-F165 WeakPolarHBondContact O-CE2 3.43Å; R144-F165 WeakPolarHBondContact O-CZ 3.48Å; F162-F165 VanDerWaalsContact O-CD1 3.24Å; F162-F165 WeakPolarHBondContact O-CD1 3.44Å; F162-F165 VanDerWaalsContact O-CE1 3.25Å; F162-F165 WeakPolarHBondContact O-CE1 3.37Å; W163-F165 HydrophobicContact CE3-CE1 4.15Å; W163-F165 HydrophobicContact CE3-CZ 4.25Å; W163-F165 HydrophobicContact CZ3-CZ 4.5Å; W163-F165 PolarHBondContact O-N 3.01Å; F165-E169 HydrophobicContact CB-CB 4.06Å; F165-E169 HydrophobicContact CB-CG 4.18Å; F165-A307 HydrophobicContact CD1-CB 4.37Å; F165-A307 HydrophobicContact CD2-CB 4.15Å; F165-A307 HydrophobicContact CE1-CB 3.94Å; F165-A307 HydrophobicContact CE2-CB 3.7Å; F165-A307 HydrophobicContact CG-CB 4.46Å; F165-A307 HydrophobicContact CZ-CB 3.57Å; F165-K309 WeakPolarHBondContact O-CB 3.48Å; F165-Q310 HydrophobicContact CE2-CG 4.39Å; F165-Q310 VanDerWaalsContact CE2-NE2 3.26Å
166S97.1Very high96.6Very high0 Ų037.9 Ų37.90%019%0.19CC..  trans-130.3-170.3171.7-162.90000109.8H168 E169 I170 K309 H313S166-H168 PolarHBondContact O-N 2.87Å; S166-E169 WeakPolarHBondContact CA-OE2 3.35Å; S166-E169 PolarHBondContact N-OE2 3.47Å; S166-E169 PolarHBondContact O-N 3.21Å; S166-I170 PolarHBondContact O-N 2.99Å; S166-K309 PolarHBondContact OG-O 3.49Å; S166-H313 WeakPolarHBondContact OG-CB 3.48Å; S166-H313 PolarHBondContact OG-ND1 3.48Å
167W98.1Very high96.8Very high0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-68.1-11.2172.549.8-106000113.5I170 G171 Q198 T201 V205 H313 F314 I317 F323 A324 Y345W167-I170 HydrophobicContact CB-CD1 4.44Å; W167-G171 PolarHBondContact O-N 3.1Å; W167-G171 VanDerWaalsContact O-N 3.09Å; W167-Q198 HydrophobicContact CB-CG 3.89Å; W167-T201 HydrophobicContact CD2-CG2 3.69Å; W167-T201 HydrophobicContact CE3-CG2 3.68Å; W167-T201 HydrophobicContact CG-CG2 4.08Å; W167-T201 HydrophobicContact CZ3-CG2 4.1Å; W167-V205 HydrophobicContact CE3-CG2 3.6Å; W167-V205 HydrophobicContact CZ3-CG2 3.41Å; W167-V205 VanDerWaalsContact CZ3-CG2 3.41Å; W167-H313 AromaticContact CD2-ND1 3.76Å; W167-H313 AromaticContact CE2-CE1 3.46Å; W167-H313 VanDerWaalsContact CE2-CE1 3.46Å; W167-H313 AromaticContact CE2-CG 3.54Å; W167-H313 AromaticContact CE2-ND1 3.15Å; W167-H313 AromaticContact CH2-CE1 3.28Å; W167-H313 WeakPolarHBondContact CH2-CE1 3.34Å; W167-H313 AromaticContact CH2-ND1 3.89Å; W167-H313 AromaticContact CH2-NE2 3.51Å; W167-H313 HydrophobicContact CZ2-CB 4.38Å; W167-H313 AromaticContact CZ2-CD2 3.47Å; W167-H313 VanDerWaalsContact CZ2-CD2 3.47Å; W167-H313 WeakPolarHBondContact CZ2-CD2 3.47Å; W167-H313 AromaticContact CZ2-CE1 3.04Å; W167-H313 WeakPolarHBondContact CZ2-CE1 3.43Å; W167-H313 AromaticContact CZ2-CG 3.45Å; W167-H313 VanDerWaalsContact CZ2-CG 3.45Å; W167-H313 AromaticContact CZ2-ND1 3.2Å; W167-H313 WeakPolarHBondContact CZ2-ND1 3.45Å; W167-H313 AromaticContact CZ2-NE2 3.22Å; W167-H313 WeakPolarHBondContact CZ2-NE2 3.3Å; W167-H313 AromaticContact CZ3-CE1 3.85Å; W167-H313 AromaticContact NE1-CG 3.53Å; W167-H313 AromaticContact NE1-ND1 3.44Å; W167-H313 PolarHBondContact NE1-ND1 3.31Å; W167-F314 AromaticContact CD1-CE2 3.64Å; W167-F314 AromaticContact CD1-CZ 3.84Å; W167-F314 AromaticContact NE1-CE2 3.97Å; W167-I317 HydrophobicContact CH2-CD1 3.87Å; W167-I317 HydrophobicContact CZ2-CD1 3.3Å; W167-I317 HydrophobicContact CZ2-CG1 4.17Å; W167-F323 HydrophobicContact CE3-CE2 4.31Å; W167-F323 AromaticContact CH2-CD2 3.93Å; W167-F323 HydrophobicContact CH2-CD2 3.93Å; W167-F323 AromaticContact CH2-CE2 3.51Å; W167-F323 HydrophobicContact CH2-CE2 3.51Å; W167-F323 HydrophobicContact CH2-CZ 4.36Å; W167-F323 HydrophobicContact CZ2-CE2 4.28Å; W167-F323 HydrophobicContact CZ3-CD2 4.35Å; W167-F323 AromaticContact CZ3-CE2 3.51Å; W167-F323 HydrophobicContact CZ3-CE2 3.51Å; W167-F323 AromaticContact CZ3-CZ 3.96Å; W167-F323 HydrophobicContact CZ3-CZ 3.96Å; W167-A324 VanDerWaalsContact CH2-O 3.28Å; W167-A324 WeakPolarHBondContact CH2-O 3.35Å; W167-Y345 AromaticContact CH2-CE2 3.71Å; W167-Y345 HydrophobicContact CH2-CE2 3.71Å; W167-Y345 HydrophobicContact CZ3-CD2 4.49Å; W167-Y345 AromaticContact CZ3-CE2 3.47Å; W167-Y345 HydrophobicContact CZ3-CE2 3.47Å; W167-Y345 VanDerWaalsContact CZ3-CE2 3.47Å; W167-Y345 AromaticContact CZ3-CZ 3.86Å; W167-Y345 WeakPolarHBondContact CZ3-OH 3.34Å
168H98.6Very high97Very high32 Ų3234.2 Ų34.215%0.14817%0.171CC..Hα-helixtrans-61.8-52.2169-179.372.4000110.6S166 I170 G171 M172 Y345S166-H168 PolarHBondContact O-N 2.87Å; H168-I170 VanDerWaalsContact C-N 3.31Å; H168-I170 PolarHBondContact O-N 2.79Å; H168-G171 PolarHBondContact O-N 3.41Å; H168-M172 WeakPolarHBondContact O-CB 3.48Å; H168-M172 WeakPolarHBondContact O-CG 3.39Å; H168-M172 PolarHBondContact O-N 3.07Å; H168-Y345 AromaticContact ND1-CE1 3.71Å; H168-Y345 AromaticContact ND1-CZ 3.63Å; H168-Y345 PolarHBondContact ND1-OH 3.04Å
169E98.7Very high97.3Very high32 Ų3228.8 Ų28.815%0.1514%0.143CC..Hα-helixtrans-66.5-32.8179.7-68.870.7-148.900112F165 S166 G171 M172 Y173F165-E169 HydrophobicContact CB-CB 4.06Å; F165-E169 HydrophobicContact CB-CG 4.18Å; S166-E169 WeakPolarHBondContact CA-OE2 3.35Å; S166-E169 PolarHBondContact N-OE2 3.47Å; S166-E169 PolarHBondContact O-N 3.21Å; E169-G171 PolarHBondContact O-N 3.22Å; E169-M172 PolarHBondContact O-N 2.9Å; E169-Y173 HydrophobicContact CB-CD2 3.92Å; E169-Y173 HydrophobicContact CB-CE2 4.23Å; E169-Y173 HydrophobicContact CG-CD2 4.23Å; E169-Y173 HydrophobicContact CG-CE2 4.03Å; E169-Y173 WeakPolarHBondContact O-CB 3.31Å; E169-Y173 WeakPolarHBondContact O-CD2 3.36Å; E169-Y173 PolarHBondContact O-N 3.09Å
170I98.8Very high97.7Very high0 Ų026.4 Ų26.40%013%0.133CC..Iπ-helixtrans-60.5-45.8172.2-58.2173.6000110.3A143 R144 S166 W167 H168 D174 L175 S202A143-I170 HydrophobicContact CB-CD1 3.69Å; A143-I170 HydrophobicContact CB-CG1 4.16Å; A143-I170 HydrophobicContact CB-CG2 4.12Å; R144-I170 HydrophobicContact CG-CG1 4.2Å; S166-I170 PolarHBondContact O-N 2.99Å; W167-I170 HydrophobicContact CB-CD1 4.44Å; H168-I170 VanDerWaalsContact C-N 3.31Å; H168-I170 PolarHBondContact O-N 2.79Å; I170-D174 HydrophobicContact CB-CB 4.47Å; I170-D174 HydrophobicContact CG2-CB 3.98Å; I170-D174 WeakPolarHBondContact O-CB 3.35Å; I170-D174 PolarHBondContact O-N 3.01Å; I170-L175 PolarHBondContact O-N 2.93Å; I170-S202 WeakPolarHBondContact CG2-OG 3.44Å
171G98.8Very high98Very high0 Ų025.6 Ų25.60%012%0.123CC..Iπ-helixtrans-68.8-3417500000113.9W167 H168 E169 P176 S202 M206W167-G171 PolarHBondContact O-N 3.1Å; W167-G171 VanDerWaalsContact O-N 3.09Å; H168-G171 PolarHBondContact O-N 3.41Å; E169-G171 PolarHBondContact O-N 3.22Å; G171-P176 WeakPolarHBondContact O-CD 3.42Å; G171-S202 VanDerWaalsContact CA-O 3.23Å; G171-S202 WeakPolarHBondContact CA-O 3.47Å; G171-M206 WeakPolarHBondContact O-CA 3.22Å; G171-M206 WeakPolarHBondContact O-CB 3.35Å; G171-M206 WeakPolarHBondContact O-CG 3.36Å
172M98.7Very high98.2Very high32 Ų3218.8 Ų18.816%0.1589%0.093CC..Iπ-helixtrans-80.2-30.2-176.4-76-59.1-61.500114.4H168 E169 P176 V205 M209 R210H168-M172 WeakPolarHBondContact O-CB 3.48Å; H168-M172 WeakPolarHBondContact O-CG 3.39Å; H168-M172 PolarHBondContact O-N 3.07Å; E169-M172 PolarHBondContact O-N 2.9Å; M172-P176 WeakPolarHBondContact O-CG 3.4Å; M172-V205 HydrophobicContact CG-CG1 4.48Å; M172-M209 HydrophobicContact CE-CB 4.48Å; M172-M209 HydrophobicContact SD-CB 3.34Å; M172-M209 WeakPolarHBondContact SD-CB 3.49Å; M172-M209 HydrophobicContact SD-CE 4.47Å; M172-M209 HydrophobicContact SD-CG 3.94Å; M172-R210 HydrophobicContact CE-CG 4.09Å; M172-R210 PolarHBondContact O-NH1 2.98Å; M172-R210 HydrophobicContact SD-CG 4.21Å
173Y98.9Very high98.3Very high68 Ų6819.8 Ų19.827%0.26710%0.098SC..Iπ-helixtrans-131-47.1-168.6-54.6-61.9000112.9E87 D88 R144 E169 A177E87-Y173 HydrophobicContact CB-CD1 4.11Å; D88-Y173 WeakPolarHBondContact OD1-CB 3.46Å; R144-Y173 VanDerWaalsContact NH2-CB 3.29Å; E169-Y173 HydrophobicContact CB-CD2 3.92Å; E169-Y173 HydrophobicContact CB-CE2 4.23Å; E169-Y173 HydrophobicContact CG-CD2 4.23Å; E169-Y173 HydrophobicContact CG-CE2 4.03Å; E169-Y173 WeakPolarHBondContact O-CB 3.31Å; E169-Y173 WeakPolarHBondContact O-CD2 3.36Å; E169-Y173 PolarHBondContact O-N 3.09Å; Y173-A177 VanDerWaalsContact O-CB 3.3Å; Y173-A177 WeakPolarHBondContact O-CB 3.49Å; Y173-A177 PolarHBondContact O-N 2.88Å; Y173-A177 VanDerWaalsContact O-N 3.09Å
174D98.9Very high98.5Very high0 Ų027.7 Ų27.70%013%0.133CC..Iπ-helixtrans-66.4-55.7-175.7-66.79.9000111.1L92 R144 I170 A177 M178L92-D174 HydrophobicContact CD1-CB 3.59Å; R144-D174 WeakPolarHBondContact CG-OD2 3.27Å; R144-D174 IonicContact CZ-OD1 3.73Å; R144-D174 PolarHBondContact N-OD2 2.63Å; R144-D174 IonicContact NE-OD1 2.68Å; R144-D174 PolarHBondContact NE-OD1 2.74Å; R144-D174 IonicContact NE-OD2 2.68Å; R144-D174 PolarHBondContact NE-OD2 2.79Å; R144-D174 IonicContact NH2-OD1 3.89Å; R144-D174 PolarHBondContact NH2-OD1 2.96Å; I170-D174 HydrophobicContact CB-CB 4.47Å; I170-D174 HydrophobicContact CG2-CB 3.98Å; I170-D174 WeakPolarHBondContact O-CB 3.35Å; I170-D174 PolarHBondContact O-N 3.01Å; D174-A177 PolarHBondContact O-N 2.84Å; D174-M178 HydrophobicContact CB-CE 4.25Å; D174-M178 VanDerWaalsContact O-CG 3.26Å; D174-M178 WeakPolarHBondContact O-CG 3.4Å; D174-M178 PolarHBondContact O-N 3.31Å
175L98.9Very high98.6Very high0 Ų026 Ų260%013%0.126CC..Hα-helixtrans-62.4-44.3-178.5-62.3-173.7000112.7Q108 I170 A177 M178 I179 Y193 S202 F203 M206Q108-L175 HydrophobicContact CG-CD2 4.08Å; I170-L175 PolarHBondContact O-N 2.93Å; L175-A177 PolarHBondContact O-N 3.36Å; L175-M178 HydrophobicContact CD2-SD 4.28Å; L175-M178 PolarHBondContact O-N 2.94Å; L175-I179 WeakPolarHBondContact O-CB 3.3Å; L175-I179 VanDerWaalsContact O-CG1 3.24Å; L175-I179 WeakPolarHBondContact O-CG1 3.35Å; L175-I179 PolarHBondContact O-N 3.41Å; L175-Y193 HydrophobicContact CD1-CE2 4.39Å; L175-Y193 WeakPolarHBondContact CD1-OH 3.41Å; L175-Y193 HydrophobicContact CD2-CE2 4.06Å; L175-Y193 WeakPolarHBondContact CD2-OH 3.28Å; L175-S202 VanDerWaalsContact CD1-C 3.43Å; L175-F203 HydrophobicContact CD1-CB 4.17Å; L175-M206 HydrophobicContact CB-SD 3.59Å; L175-M206 VanDerWaalsContact CB-SD 3.59Å; L175-M206 HydrophobicContact CD1-CB 4.48Å
176P98.9Very high98.7Very high1 Ų127.3 Ų27.31%0.00613%0.134CC..Hα-helixtrans-51.7-49.3170.3-37.244.3000114.3G171 M172 I179 D180 M206 Y213G171-P176 WeakPolarHBondContact O-CD 3.42Å; M172-P176 WeakPolarHBondContact O-CG 3.4Å; P176-I179 PolarHBondContact O-N 3.25Å; P176-D180 WeakPolarHBondContact O-CB 3.34Å; P176-D180 VanDerWaalsContact O-CG 3.26Å; P176-D180 PolarHBondContact O-N 3.04Å; P176-M206 HydrophobicContact CG-CG 3.93Å; P176-M206 HydrophobicContact CG-SD 4.01Å; P176-Y213 HydrophobicContact CB-CE1 3.9Å; P176-Y213 HydrophobicContact CB-CE2 3.94Å; P176-Y213 VanDerWaalsContact CB-CZ 3.47Å; P176-Y213 WeakPolarHBondContact CB-OH 3.42Å; P176-Y213 HydrophobicContact CG-CE1 4.41Å; P176-Y213 HydrophobicContact CG-CE2 4.11Å
177A98.9Very high98.7Very high17 Ų1730.4 Ų30.414%0.1417%0.166CC..Hα-helixtrans-65.4-43.8-179.200000111.9V84 T86 Y173 D174 L175 H181V84-A177 HydrophobicContact CG1-CB 3.79Å; T86-A177 HydrophobicContact CG2-CB 4.01Å; Y173-A177 VanDerWaalsContact O-CB 3.3Å; Y173-A177 WeakPolarHBondContact O-CB 3.49Å; Y173-A177 PolarHBondContact O-N 2.88Å; Y173-A177 VanDerWaalsContact O-N 3.09Å; D174-A177 PolarHBondContact O-N 2.84Å; L175-A177 PolarHBondContact O-N 3.36Å; A177-H181 VanDerWaalsContact O-CB 3.32Å; A177-H181 WeakPolarHBondContact O-CB 3.32Å; A177-H181 PolarHBondContact O-N 2.96Å
178M98.9Very high98.8Very high0 Ų033.4 Ų33.40%018%0.179CC..Hα-helixtrans-60.7-49.6175.9-69.1-177-167.200111.7L92 M94 L106 N142 D174 L175 D180 H181 V182L92-M178 HydrophobicContact CD1-CE 3.64Å; L92-M178 HydrophobicContact CD1-CG 4.32Å; M94-M178 HydrophobicContact CE-CB 3.74Å; M94-M178 HydrophobicContact CE-CG 3.85Å; M94-M178 HydrophobicContact CE-SD 4.1Å; M94-M178 HydrophobicContact CG-CG 4.26Å; M94-M178 HydrophobicContact SD-CB 3.8Å; M94-M178 HydrophobicContact SD-CG 3.62Å; M94-M178 HydrophobicContact SD-SD 4.46Å; L106-M178 HydrophobicContact CD2-CB 4.17Å; N142-M178 WeakPolarHBondContact O-CE 3.14Å; D174-M178 HydrophobicContact CB-CE 4.25Å; D174-M178 VanDerWaalsContact O-CG 3.26Å; D174-M178 WeakPolarHBondContact O-CG 3.4Å; D174-M178 PolarHBondContact O-N 3.31Å; L175-M178 HydrophobicContact CD2-SD 4.28Å; L175-M178 PolarHBondContact O-N 2.94Å; M178-D180 PolarHBondContact O-N 2.72Å; M178-H181 PolarHBondContact O-N 3.38Å; M178-V182 WeakPolarHBondContact O-CG2 3.43Å; M178-V182 PolarHBondContact O-N 3.47Å
179I99Very high98.8Very high0 Ų037 Ų370%021%0.205CC..Hα-helixtrans-60.6-48.5-179.1-70.6169.7000110L106 L175 P176 H181 V182 L183 L191 M206 Y213 K216 V217L106-I179 HydrophobicContact CD2-CG1 3.97Å; L175-I179 WeakPolarHBondContact O-CB 3.3Å; L175-I179 VanDerWaalsContact O-CG1 3.24Å; L175-I179 WeakPolarHBondContact O-CG1 3.35Å; L175-I179 PolarHBondContact O-N 3.41Å; P176-I179 PolarHBondContact O-N 3.25Å; I179-H181 VanDerWaalsContact C-N 3.31Å; I179-H181 PolarHBondContact O-N 3.37Å; I179-V182 PolarHBondContact O-N 3.22Å; I179-L183 HydrophobicContact CG2-CD1 3.9Å; I179-L183 HydrophobicContact CG2-CG 4.24Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.46Å; I179-L183 PolarHBondContact O-N 2.94Å; I179-L191 HydrophobicContact CB-CD2 4.27Å; I179-L191 HydrophobicContact CG1-CD1 4.5Å; I179-L191 HydrophobicContact CG1-CD2 4.12Å; I179-L191 HydrophobicContact CG2-CD2 4.04Å; I179-M206 HydrophobicContact CD1-CE 3.55Å; I179-M206 HydrophobicContact CD1-SD 3.58Å; I179-M206 VanDerWaalsContact CD1-SD 3.58Å; I179-Y213 HydrophobicContact CB-CD1 4.4Å; I179-Y213 HydrophobicContact CB-CE1 4.32Å; I179-Y213 HydrophobicContact CD1-CD1 4.11Å; I179-Y213 HydrophobicContact CG2-CD1 4.16Å; I179-Y213 HydrophobicContact CG2-CE1 4.24Å; I179-K216 HydrophobicContact CG2-CB 4.01Å; I179-K216 HydrophobicContact CG2-CD 4.18Å; I179-V217 HydrophobicContact CD1-CG2 4.33Å
180D98.9Very high98.8Very high58 Ų5839.3 Ų39.331%0.3122%0.215SC..Hα-helixtrans-64.5-37.4-178.2-70.5-17.1000112.3P176 M178 K184 Y213 K216P176-D180 WeakPolarHBondContact O-CB 3.34Å; P176-D180 VanDerWaalsContact O-CG 3.26Å; P176-D180 PolarHBondContact O-N 3.04Å; M178-D180 PolarHBondContact O-N 2.72Å; D180-K184 WeakPolarHBondContact O-CB 3.36Å; D180-K184 PolarHBondContact O-N 3.19Å; D180-Y213 PolarHBondContact OD2-OH 2.91Å; D180-K216 IonicContact OD1-NZ 2.88Å; D180-K216 PolarHBondContact OD1-NZ 3.2Å; D180-K216 IonicContact OD2-NZ 3.36Å; D180-K216 PolarHBondContact OD2-NZ 3.36Å
181H98.9Very high98.8Very high42 Ų4239.4 Ų39.419%0.19422%0.215CC..Hα-helixtrans-62.5-48.6173-175.276.3000111.9H82 V84 W139 A177 M178 I179 L183 K184 V185H82-H181 AromaticContact CG-NE2 3.59Å; H82-H181 AromaticContact ND1-CE1 3.81Å; H82-H181 AromaticContact ND1-NE2 3.01Å; H82-H181 PolarHBondContact ND1-NE2 2.9Å; V84-H181 HydrophobicContact CG1-CB 4.08Å; V84-H181 HydrophobicContact CG2-CB 3.85Å; W139-H181 AromaticContact CZ3-CD2 3.78Å; A177-H181 VanDerWaalsContact O-CB 3.32Å; A177-H181 WeakPolarHBondContact O-CB 3.32Å; A177-H181 PolarHBondContact O-N 2.96Å; M178-H181 PolarHBondContact O-N 3.38Å; I179-H181 VanDerWaalsContact C-N 3.31Å; I179-H181 PolarHBondContact O-N 3.37Å; H181-L183 PolarHBondContact O-N 2.75Å; H181-K184 PolarHBondContact O-N 3.31Å; H181-V185 WeakPolarHBondContact O-CG2 3.44Å; H181-V185 PolarHBondContact O-N 2.82Å
182V98.9Very high98.8Very high0 Ų040.7 Ų40.70%022%0.221CC..Hα-helixtrans-58.9-49178.7172.50000111.1M94 P104 W139 M178 I179 K184 V185 T186 L191M94-V182 HydrophobicContact CE-CG2 3.97Å; P104-V182 HydrophobicContact CB-CG1 3.46Å; P104-V182 VanDerWaalsContact CB-CG1 3.46Å; P104-V182 HydrophobicContact CG-CG1 4.18Å; W139-V182 HydrophobicContact CB-CG2 4.07Å; W139-V182 HydrophobicContact CD2-CB 4.44Å; W139-V182 HydrophobicContact CD2-CG1 4.33Å; W139-V182 HydrophobicContact CD2-CG2 3.55Å; W139-V182 HydrophobicContact CE3-CG2 3.77Å; W139-V182 HydrophobicContact CG-CG1 4.17Å; W139-V182 HydrophobicContact CG-CG2 3.69Å; W139-V182 HydrophobicContact CZ3-CG2 4.35Å; M178-V182 WeakPolarHBondContact O-CG2 3.43Å; M178-V182 PolarHBondContact O-N 3.47Å; I179-V182 PolarHBondContact O-N 3.22Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 3.16Å; V182-V185 PolarHBondContact O-N 3.44Å; V182-T186 HydrophobicContact CG1-CG2 4.32Å; V182-T186 WeakPolarHBondContact O-CB 3.38Å; V182-T186 VanDerWaalsContact O-CG2 3.28Å; V182-T186 WeakPolarHBondContact O-CG2 3.41Å; V182-T186 PolarHBondContact O-N 2.93Å; V182-T186 PolarHBondContact O-OG1 3.39Å; V182-L191 HydrophobicContact CB-CD2 3.83Å; V182-L191 HydrophobicContact CG1-CD2 3.64Å; V182-L191 HydrophobicContact CG2-CD2 4.46Å
183L98.9Very high98.8Very high21 Ų2139.2 Ų39.211%0.1121%0.214CC..Hα-helixtrans-63.8-39.3-179.8-62.4-177.9000111.4I179 H181 G187 F188 K190 L191 K216I179-L183 HydrophobicContact CG2-CD1 3.9Å; I179-L183 HydrophobicContact CG2-CG 4.24Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.46Å; I179-L183 PolarHBondContact O-N 2.94Å; H181-L183 PolarHBondContact O-N 2.75Å; L183-G187 WeakPolarHBondContact O-CA 3.42Å; L183-G187 PolarHBondContact O-N 3.44Å; L183-F188 WeakPolarHBondContact CD2-O 3.39Å; L183-K190 VanDerWaalsContact CD2-C 3.43Å; L183-L191 HydrophobicContact CD2-CB 4.11Å; L183-L191 HydrophobicContact CD2-CD2 4.13Å; L183-L191 HydrophobicContact CD2-CG 4.22Å; L183-L191 HydrophobicContact CG-CD2 4.42Å; L183-K216 HydrophobicContact CD1-CB 3.97Å; L183-K216 HydrophobicContact CD1-CD 4.13Å; L183-K216 HydrophobicContact CD1-CG 4.09Å
184K98.7Very high98.8Very high179 Ų17936 Ų3678%0.77820%0.201SC*.Hα-helixtrans-63.9-47.3176-179.5-178.3176.5-174.80112.5D180 H181 V182D180-K184 WeakPolarHBondContact O-CB 3.36Å; D180-K184 PolarHBondContact O-N 3.19Å; H181-K184 PolarHBondContact O-N 3.31Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 3.16Å
185V98.5Very high98.8Very high64 Ų6436 Ų3639%0.38820%0.201SC..Hα-helixtrans-69.7-39.9-177.2170.60000111.6W139 H181 V182W139-V185 HydrophobicContact CH2-CB 4.05Å; W139-V185 HydrophobicContact CH2-CG1 3.88Å; W139-V185 HydrophobicContact CH2-CG2 4.29Å; W139-V185 HydrophobicContact CZ2-CB 4.12Å; W139-V185 HydrophobicContact CZ2-CG1 3.85Å; H181-V185 WeakPolarHBondContact O-CG2 3.44Å; H181-V185 PolarHBondContact O-N 2.82Å; V182-V185 PolarHBondContact O-N 3.44Å
186T98.4Very high98.8Very high27 Ų2736.1 Ų36.117%0.16620%0.202CC..Hα-helixtrans-86.5-21.2-17562.90000113.3P104 D137 W139 V182 F188P104-T186 HydrophobicContact CB-CG2 4.21Å; D137-T186 WeakPolarHBondContact OD2-CG2 3.44Å; W139-T186 HydrophobicContact CZ2-CG2 4.03Å; V182-T186 HydrophobicContact CG1-CG2 4.32Å; V182-T186 WeakPolarHBondContact O-CB 3.38Å; V182-T186 VanDerWaalsContact O-CG2 3.28Å; V182-T186 WeakPolarHBondContact O-CG2 3.41Å; V182-T186 PolarHBondContact O-N 2.93Å; V182-T186 PolarHBondContact O-OG1 3.39Å; T186-F188 PolarHBondContact O-N 2.87Å; T186-F188 PolarHBondContact OG1-N 2.96Å
187G98.4Very high98.7Very high65 Ų6536.6 Ų36.667%0.6721%0.205SC*.  trans73.94.7-175.100000114L183L183-G187 WeakPolarHBondContact O-CA 3.42Å; L183-G187 PolarHBondContact O-N 3.44Å
188F98.7Very high98.7Very high63 Ų6335.9 Ų35.928%0.27620%0.199SC..  trans-78.6146.4174.8-79.3-101.4000110.7A102 P103 P104 L183 T186 K190A102-F188 VanDerWaalsContact O-CE2 3.28Å; A102-F188 WeakPolarHBondContact O-CE2 3.46Å; A102-F188 WeakPolarHBondContact O-CZ 3.39Å; P103-F188 HydrophobicContact CB-CE1 4.25Å; P103-F188 HydrophobicContact CG-CE1 4.32Å; P104-F188 VanDerWaalsContact CD-CG 3.42Å; P104-F188 HydrophobicContact CG-CB 3.84Å; P104-F188 HydrophobicContact CG-CD2 4.36Å; P104-F188 HydrophobicContact CG-CG 4.1Å; L183-F188 WeakPolarHBondContact CD2-O 3.39Å; T186-F188 PolarHBondContact O-N 2.87Å; T186-F188 PolarHBondContact OG1-N 2.96Å; F188-K190 VanDerWaalsContact C-N 3.34Å
189P98.4Very high98.7Very high107 Ų10735.9 Ų35.970%0.69520%0.199SC*.SBendtrans-76.9-22178.130.7-35.6000113.2
190K98.8Very high98.7Very high82 Ų8235.9 Ų35.936%0.35720%0.199SC..  trans-147.3160-177.8-54.1-168.9-172.9-142.80110.8L183 F188 D215 K216 V218L183-K190 VanDerWaalsContact CD2-C 3.43Å; F188-K190 VanDerWaalsContact C-N 3.34Å; K190-D215 WeakPolarHBondContact CD-O 3.43Å; K190-D215 WeakPolarHBondContact CE-O 3.22Å; K190-D215 WeakPolarHBondContact CG-O 3.35Å; K190-D215 PolarHBondContact NZ-O 3.11Å; K190-K216 WeakPolarHBondContact CA-O 3.4Å; K190-K216 WeakPolarHBondContact CB-O 3.29Å; K190-V218 HydrophobicContact CB-CG2 3.51Å; K190-V218 HydrophobicContact CD-CG2 4.33Å
191L98.8Very high98.7Very high1 Ų133.1 Ų33.11%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-126.7161.1175.359.379.6000112.5P104 L106 I179 V182 L183 K216 V217 V218P104-L191 HydrophobicContact CB-CB 3.91Å; P104-L191 HydrophobicContact CG-CB 3.71Å; L106-L191 HydrophobicContact CB-CD1 4.02Å; L106-L191 HydrophobicContact CB-CD2 4.41Å; I179-L191 HydrophobicContact CB-CD2 4.27Å; I179-L191 HydrophobicContact CG1-CD1 4.5Å; I179-L191 HydrophobicContact CG1-CD2 4.12Å; I179-L191 HydrophobicContact CG2-CD2 4.04Å; V182-L191 HydrophobicContact CB-CD2 3.83Å; V182-L191 HydrophobicContact CG1-CD2 3.64Å; V182-L191 HydrophobicContact CG2-CD2 4.46Å; L183-L191 HydrophobicContact CD2-CB 4.11Å; L183-L191 HydrophobicContact CD2-CD2 4.13Å; L183-L191 HydrophobicContact CD2-CG 4.22Å; L183-L191 HydrophobicContact CG-CD2 4.42Å; L191-K216 PolarHBondContact N-O 3.14Å; L191-V217 HydrophobicContact CD1-CG2 4.41Å; L191-V217 CarbonylContact O-C 3.56Å; L191-V217 VanDerWaalsContact O-CA 3.32Å; L191-V217 WeakPolarHBondContact O-CA 3.38Å; L191-V218 PolarHBondContact O-N 3.12Å
192H98.9Very high98.7Very high28 Ų2831.2 Ų31.213%0.1318%0.175CC..EExtended strand (participates in β ladder)trans-85.2148.2164.3-65.6-88.9000109.9P104 F105 L106 Y136 V218 S219P104-H192 PolarHBondContact O-N 2.96Å; F105-H192 CarbonylContact C-O 3.42Å; F105-H192 WeakPolarHBondContact CA-O 3.38Å; F105-H192 HydrophobicContact CB-CB 4.4Å; F105-H192 HydrophobicContact CD1-CB 4.18Å; F105-H192 HydrophobicContact CD2-CB 3.39Å; F105-H192 HydrophobicContact CE1-CB 4.24Å; F105-H192 HydrophobicContact CE2-CB 3.47Å; F105-H192 VanDerWaalsContact CE2-CB 3.47Å; F105-H192 HydrophobicContact CG-CB 3.75Å; F105-H192 HydrophobicContact CZ-CB 3.9Å; L106-H192 PolarHBondContact N-O 3.35Å; Y136-H192 AromaticContact CE1-CD2 3.53Å; Y136-H192 AromaticContact CE1-NE2 3.78Å; H192-V218 VanDerWaalsContact CE1-CG1 3.44Å; H192-V218 WeakPolarHBondContact CE1-CG1 3.37Å; H192-S219 PolarHBondContact ND1-OG 3.43Å
193Y98.9Very high98.7Very high0 Ų031.2 Ų31.20%018%0.175CC..EExtended strand (participates in β ladder)trans-127140.5177.7-170.8-79.2000110.6L106 Q108 L175 G199 F203 S219 M220 Q221L106-Y193 HydrophobicContact CB-CD2 4.1Å; L106-Y193 HydrophobicContact CD2-CD2 3.86Å; L106-Y193 HydrophobicContact CD2-CE2 3.85Å; L106-Y193 HydrophobicContact CG-CD2 3.98Å; L106-Y193 HydrophobicContact CG-CE2 4.06Å; L106-Y193 CarbonylContact O-C 3.55Å; L106-Y193 WeakPolarHBondContact O-CA 3.41Å; Q108-Y193 HydrophobicContact CB-CE1 4.31Å; Q108-Y193 HydrophobicContact CB-CE2 4.18Å; Q108-Y193 WeakPolarHBondContact CB-OH 3.09Å; Q108-Y193 WeakPolarHBondContact CG-OH 3.36Å; L175-Y193 HydrophobicContact CD1-CE2 4.39Å; L175-Y193 WeakPolarHBondContact CD1-OH 3.41Å; L175-Y193 HydrophobicContact CD2-CE2 4.06Å; L175-Y193 WeakPolarHBondContact CD2-OH 3.28Å; Y193-G199 PolarHBondContact OH-O 3.21Å; Y193-G199 VanDerWaalsContact OH-O 3.1Å; Y193-F203 HydrophobicContact CD1-CB 4.48Å; Y193-F203 AromaticContact CD1-CD2 3.5Å; Y193-F203 HydrophobicContact CD1-CD2 3.5Å; Y193-F203 VanDerWaalsContact CD1-CD2 3.5Å; Y193-F203 AromaticContact CD1-CE2 3.88Å; Y193-F203 HydrophobicContact CD1-CE2 3.88Å; Y193-F203 HydrophobicContact CD1-CG 4.07Å; Y193-F203 AromaticContact CD2-CD2 3.76Å; Y193-F203 HydrophobicContact CD2-CD2 3.76Å; Y193-F203 AromaticContact CD2-CE2 3.96Å; Y193-F203 HydrophobicContact CD2-CE2 3.96Å; Y193-F203 HydrophobicContact CE1-CB 3.78Å; Y193-F203 AromaticContact CE1-CD2 3.5Å; Y193-F203 HydrophobicContact CE1-CD2 3.5Å; Y193-F203 HydrophobicContact CE1-CE2 4.34Å; Y193-F203 AromaticContact CE1-CG 3.84Å; Y193-F203 HydrophobicContact CE1-CG 3.84Å; Y193-F203 AromaticContact CE2-CD2 3.79Å; Y193-F203 HydrophobicContact CE2-CD2 3.79Å; Y193-F203 HydrophobicContact CE2-CE2 4.44Å; Y193-F203 AromaticContact CG-CD2 3.6Å; Y193-F203 HydrophobicContact CG-CD2 3.6Å; Y193-F203 AromaticContact CG-CE2 3.63Å; Y193-F203 HydrophobicContact CG-CE2 3.63Å; Y193-F203 AromaticContact CZ-CD2 3.64Å; Y193-S219 PolarHBondContact N-O 3.38Å; Y193-M220 HydrophobicContact CD1-CE 4.06Å; Y193-M220 HydrophobicContact CD1-SD 3.39Å; Y193-M220 WeakPolarHBondContact CD1-SD 3.21Å; Y193-M220 HydrophobicContact CE1-CE 4Å; Y193-M220 HydrophobicContact CE1-SD 3.96Å; Y193-M220 HydrophobicContact CG-SD 4.41Å; Y193-M220 CarbonylContact O-C 3.55Å; Y193-M220 WeakPolarHBondContact O-CA 3.46Å; Y193-Q221 PolarHBondContact O-N 3.18Å
194A98.9Very high98.7Very high0 Ų030.2 Ų30.20%017%0.17CC..EExtended strand (participates in β ladder)trans-131.5134.2160.500000110.2F105 L106 L107 Q108 Q221 M410F105-A194 HydrophobicContact CE1-CB 3.7Å; F105-A194 HydrophobicContact CZ-CB 4.24Å; L106-A194 PolarHBondContact O-N 3.23Å; L107-A194 WeakPolarHBondContact CA-O 3.49Å; L107-A194 HydrophobicContact CD2-CB 3.66Å; Q108-A194 PolarHBondContact N-O 3.08Å; A194-Q221 VanDerWaalsContact CA-O 3.23Å; A194-Q221 WeakPolarHBondContact CA-O 3.23Å; A194-Q221 HydrophobicContact CB-CB 3.8Å; A194-Q221 WeakPolarHBondContact CB-O 3.49Å; A194-M410 HydrophobicContact CB-CE 4.18Å
195G98.8Very high98.7Very high0 Ų021.7 Ų21.70%013%0.133CC..EExtended strand (participates in β ladder)trans-116141.1174.900000109.8Q108 C200 Q221 L223Q108-G195 WeakPolarHBondContact O-CA 3.28Å; G195-C200 VanDerWaalsContact C-SG 3.58Å; G195-C200 PolarHBondContact O-SG 2.98Å; G195-Q221 PolarHBondContact N-O 3.29Å; G195-L223 WeakPolarHBondContact O-CB 3.27Å; G195-L223 PolarHBondContact O-N 3.1Å
196H98.7Very high98.7Very high4 Ų418.6 Ų18.62%0.01912%0.115CC..EExtended strand (participates in β ladder)trans-103.5131.6163.3173.8-101.3000109.4Q108 H109 G110 F118 Q198 G199 L223 H393 L397Q108-H196 PolarHBondContact O-N 3.34Å; H109-H196 CarbonylContact C-O 3.51Å; G110-H196 VanDerWaalsContact CA-O 3.26Å; G110-H196 WeakPolarHBondContact CA-O 3.4Å; G110-H196 PolarHBondContact N-O 2.93Å; F118-H196 HydrophobicContact CE1-CB 4.49Å; F118-H196 HydrophobicContact CZ-CB 4.22Å; H196-Q198 PolarHBondContact O-N 2.79Å; H196-Q198 VanDerWaalsContact O-N 3.09Å; H196-G199 PolarHBondContact O-N 2.81Å; H196-L223 CarbonylContact C-O 3.59Å; H196-L223 VanDerWaalsContact CA-O 3.31Å; H196-L223 WeakPolarHBondContact CA-O 3.26Å; H196-L223 HydrophobicContact CB-CB 4.42Å; H196-H393 AromaticContact CE1-CD2 3.87Å; H196-H393 AromaticContact CE1-NE2 3.68Å; H196-H393 AromaticContact NE2-NE2 3.93Å; H196-H393 PolarHBondContact NE2-O 3.02Å; H196-L397 HydrophobicContact CB-CD2 4.38Å
197S98.3Very high98.8Very high10 Ų1017.3 Ų17.37%0.0711%0.107CC..THydrogen-bonded Turntrans54.2-116.3171.8-167.80000112.7G199 C200 T201 L223 A224 H393S197-G199 PolarHBondContact O-N 2.99Å; S197-G199 VanDerWaalsContact O-N 3.15Å; S197-C200 WeakPolarHBondContact O-CA 3.36Å; S197-C200 VanDerWaalsContact O-CB 3.26Å; S197-C200 WeakPolarHBondContact O-CB 3.49Å; S197-C200 PolarHBondContact O-N 3.19Å; S197-T201 PolarHBondContact O-N 3.41Å; S197-T201 PolarHBondContact O-OG1 2.75Å; S197-L223 PolarHBondContact N-O 3Å; S197-A224 WeakPolarHBondContact CA-O 3.34Å; S197-A224 PolarHBondContact N-O 3.31Å; S197-H393 VanDerWaalsContact CB-CE1 3.49Å; S197-H393 WeakPolarHBondContact CB-CE1 3.24Å; S197-H393 WeakPolarHBondContact CB-NE2 3.21Å; S197-H393 PolarHBondContact OG-CE1 2.72Å; S197-H393 VanDerWaalsContact OG-CE1 3.24Å; S197-H393 PolarHBondContact OG-NE2 3.49Å
198Q98.5Very high98.8Very high3 Ų314.6 Ų14.61%0.0148%0.078CC..Hα-helixtrans-55.5-26.9174.8-172.9174.4-95.200114.3L111 W167 H196 C200 T201 S202 F314L111-Q198 HydrophobicContact CB-CB 4.19Å; W167-Q198 HydrophobicContact CB-CG 3.89Å; H196-Q198 PolarHBondContact O-N 2.79Å; H196-Q198 VanDerWaalsContact O-N 3.09Å; Q198-C200 PolarHBondContact O-N 3.32Å; Q198-T201 WeakPolarHBondContact CA-OG1 3.38Å; Q198-T201 WeakPolarHBondContact O-CB 3.3Å; Q198-T201 PolarHBondContact O-N 2.9Å; Q198-S202 PolarHBondContact O-N 3Å; Q198-S202 PolarHBondContact O-OG 3.34Å; Q198-F314 HydrophobicContact CB-CE2 4.37Å; Q198-F314 HydrophobicContact CB-CZ 4.17Å; Q198-F314 HydrophobicContact CG-CE2 4.25Å; Q198-F314 HydrophobicContact CG-CZ 4.16Å
199G98.8Very high98.8Very high0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-58.9-38.7171.700000111.7H109 Y193 H196 S197 F203H109-G199 WeakPolarHBondContact O-CA 3.42Å; H109-G199 PolarHBondContact O-N 2.87Å; Y193-G199 PolarHBondContact OH-O 3.21Å; Y193-G199 VanDerWaalsContact OH-O 3.1Å; H196-G199 PolarHBondContact O-N 2.81Å; S197-G199 PolarHBondContact O-N 2.99Å; S197-G199 VanDerWaalsContact O-N 3.15Å; G199-F203 WeakPolarHBondContact O-CB 3.5Å; G199-F203 PolarHBondContact O-N 3.32Å
200C98.9Very high98.8Very high0 Ų013.4 Ų13.40%06%0.062CC..Hα-helixtrans-67.4-46.8171.6-600000111.6G195 S197 Q198 S202 F203 F204 M220 P225G195-C200 VanDerWaalsContact C-SG 3.58Å; G195-C200 PolarHBondContact O-SG 2.98Å; S197-C200 WeakPolarHBondContact O-CA 3.36Å; S197-C200 VanDerWaalsContact O-CB 3.26Å; S197-C200 WeakPolarHBondContact O-CB 3.49Å; S197-C200 PolarHBondContact O-N 3.19Å; Q198-C200 PolarHBondContact O-N 3.32Å; C200-S202 VanDerWaalsContact C-N 3.32Å; C200-S202 PolarHBondContact O-N 3.19Å; C200-F203 WeakPolarHBondContact O-CB 3.4Å; C200-F203 PolarHBondContact O-N 3.36Å; C200-F204 HydrophobicContact CB-CD2 4.4Å; C200-F204 HydrophobicContact CB-CE2 3.96Å; C200-F204 WeakPolarHBondContact O-CD2 3.37Å; C200-F204 WeakPolarHBondContact O-CG 3.04Å; C200-F204 PolarHBondContact O-N 3.2Å; C200-M220 HydrophobicContact CB-CE 4.07Å; C200-P225 HydrophobicContact CB-CB 3.7Å
201T98.8Very high98.7Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-52-52.3179.3-44.80000111.1W167 S197 Q198 F203 F204 V205 A226 F314 F323W167-T201 HydrophobicContact CD2-CG2 3.69Å; W167-T201 HydrophobicContact CE3-CG2 3.68Å; W167-T201 HydrophobicContact CG-CG2 4.08Å; W167-T201 HydrophobicContact CZ3-CG2 4.1Å; S197-T201 PolarHBondContact O-N 3.41Å; S197-T201 PolarHBondContact O-OG1 2.75Å; Q198-T201 WeakPolarHBondContact CA-OG1 3.38Å; Q198-T201 WeakPolarHBondContact O-CB 3.3Å; Q198-T201 PolarHBondContact O-N 2.9Å; T201-F203 VanDerWaalsContact C-N 3.35Å; T201-F203 PolarHBondContact O-N 3.19Å; T201-F204 PolarHBondContact O-N 3.35Å; T201-V205 WeakPolarHBondContact O-CG2 3.35Å; T201-V205 PolarHBondContact O-N 2.82Å; T201-A226 PolarHBondContact OG1-O 2.75Å; T201-F314 HydrophobicContact CG2-CE1 4.21Å; T201-F314 HydrophobicContact CG2-CZ 4.22Å; T201-F323 HydrophobicContact CG2-CE2 3.45Å; T201-F323 VanDerWaalsContact CG2-CE2 3.45Å; T201-F323 HydrophobicContact CG2-CZ 3.84Å
202S98.8Very high98.7Very high1 Ų115.5 Ų15.51%0.0079%0.09CC..Hα-helixtrans-66.8-38-177.3-500000111.3I170 G171 L175 Q198 C200 V205 M206I170-S202 WeakPolarHBondContact CG2-OG 3.44Å; G171-S202 VanDerWaalsContact CA-O 3.23Å; G171-S202 WeakPolarHBondContact CA-O 3.47Å; L175-S202 VanDerWaalsContact CD1-C 3.43Å; Q198-S202 PolarHBondContact O-N 3Å; Q198-S202 PolarHBondContact O-OG 3.34Å; C200-S202 VanDerWaalsContact C-N 3.32Å; C200-S202 PolarHBondContact O-N 3.19Å; S202-V205 PolarHBondContact O-N 3.33Å; S202-M206 PolarHBondContact O-N 2.99Å
203F98.9Very high98.7Very high0 Ų014.8 Ų14.80%09%0.086CC..Hα-helixtrans-61.8-43.7175.9-175.7-91000112.3L175 Y193 G199 C200 T201 M206 C207 V217 M220 V352L175-F203 HydrophobicContact CD1-CB 4.17Å; Y193-F203 HydrophobicContact CD1-CB 4.48Å; Y193-F203 AromaticContact CD1-CD2 3.5Å; Y193-F203 HydrophobicContact CD1-CD2 3.5Å; Y193-F203 VanDerWaalsContact CD1-CD2 3.5Å; Y193-F203 AromaticContact CD1-CE2 3.88Å; Y193-F203 HydrophobicContact CD1-CE2 3.88Å; Y193-F203 HydrophobicContact CD1-CG 4.07Å; Y193-F203 AromaticContact CD2-CD2 3.76Å; Y193-F203 HydrophobicContact CD2-CD2 3.76Å; Y193-F203 AromaticContact CD2-CE2 3.96Å; Y193-F203 HydrophobicContact CD2-CE2 3.96Å; Y193-F203 HydrophobicContact CE1-CB 3.78Å; Y193-F203 AromaticContact CE1-CD2 3.5Å; Y193-F203 HydrophobicContact CE1-CD2 3.5Å; Y193-F203 HydrophobicContact CE1-CE2 4.34Å; Y193-F203 AromaticContact CE1-CG 3.84Å; Y193-F203 HydrophobicContact CE1-CG 3.84Å; Y193-F203 AromaticContact CE2-CD2 3.79Å; Y193-F203 HydrophobicContact CE2-CD2 3.79Å; Y193-F203 HydrophobicContact CE2-CE2 4.44Å; Y193-F203 AromaticContact CG-CD2 3.6Å; Y193-F203 HydrophobicContact CG-CD2 3.6Å; Y193-F203 AromaticContact CG-CE2 3.63Å; Y193-F203 HydrophobicContact CG-CE2 3.63Å; Y193-F203 AromaticContact CZ-CD2 3.64Å; G199-F203 WeakPolarHBondContact O-CB 3.5Å; G199-F203 PolarHBondContact O-N 3.32Å; C200-F203 WeakPolarHBondContact O-CB 3.4Å; C200-F203 PolarHBondContact O-N 3.36Å; T201-F203 VanDerWaalsContact C-N 3.35Å; T201-F203 PolarHBondContact O-N 3.19Å; F203-M206 HydrophobicContact CD2-CE 3.94Å; F203-M206 HydrophobicContact CE2-CE 3.94Å; F203-M206 WeakPolarHBondContact O-CB 3.43Å; F203-M206 PolarHBondContact O-N 2.52Å; F203-C207 PolarHBondContact O-N 3.29Å; F203-C207 PolarHBondContact O-SG 3.19Å; F203-V217 HydrophobicContact CE2-CG1 4.17Å; F203-V217 HydrophobicContact CE2-CG2 4Å; F203-V217 HydrophobicContact CZ-CB 4.39Å; F203-V217 HydrophobicContact CZ-CG1 4.03Å; F203-V217 HydrophobicContact CZ-CG2 4.23Å; F203-M220 HydrophobicContact CB-CE 4.13Å; F203-M220 HydrophobicContact CD1-CB 4.4Å; F203-M220 HydrophobicContact CD1-CE 4.02Å; F203-M220 HydrophobicContact CD1-CG 3.85Å; F203-M220 HydrophobicContact CD1-SD 4.14Å; F203-M220 HydrophobicContact CE1-CB 3.7Å; F203-M220 HydrophobicContact CE1-CG 3.65Å; F203-M220 HydrophobicContact CE1-SD 4.33Å; F203-M220 HydrophobicContact CG-CE 4.09Å; F203-M220 HydrophobicContact CG-SD 4.3Å; F203-M220 HydrophobicContact CZ-CB 3.89Å; F203-M220 HydrophobicContact CZ-CG 4.21Å; F203-V352 HydrophobicContact CE1-CB 4.4Å; F203-V352 HydrophobicContact CE1-CG2 4.47Å; F203-V352 HydrophobicContact CZ-CB 4.26Å; F203-V352 HydrophobicContact CZ-CG1 4.19Å; F203-V352 HydrophobicContact CZ-CG2 4.05Å
204F98.9Very high98.7Very high0 Ų015.2 Ų15.20%09%0.088CC..Hα-helixtrans-72.1-32178.5-59.9-39.8000112.8C200 T201 S208 M220 A222 P225 V227 F323 L347 V350 T354 M373 L377C200-F204 HydrophobicContact CB-CD2 4.4Å; C200-F204 HydrophobicContact CB-CE2 3.96Å; C200-F204 WeakPolarHBondContact O-CD2 3.37Å; C200-F204 WeakPolarHBondContact O-CG 3.04Å; C200-F204 PolarHBondContact O-N 3.2Å; T201-F204 PolarHBondContact O-N 3.35Å; F204-S208 VanDerWaalsContact O-CB 3.29Å; F204-S208 WeakPolarHBondContact O-CB 3.26Å; F204-S208 PolarHBondContact O-N 2.83Å; F204-S208 PolarHBondContact O-OG 3.4Å; F204-M220 HydrophobicContact CE1-CE 4.45Å; F204-M220 HydrophobicContact CE1-CG 4.31Å; F204-M220 HydrophobicContact CZ-CE 4.31Å; F204-A222 HydrophobicContact CZ-CB 4.24Å; F204-P225 HydrophobicContact CE2-CB 4.18Å; F204-V227 HydrophobicContact CD2-CG2 3.47Å; F204-V227 VanDerWaalsContact CD2-CG2 3.47Å; F204-V227 HydrophobicContact CE2-CG2 3.78Å; F204-F323 HydrophobicContact CB-CE1 4.27Å; F204-L347 HydrophobicContact CB-CD2 3.9Å; F204-V350 HydrophobicContact CB-CG2 4.43Å; F204-V350 HydrophobicContact CD1-CG1 3.85Å; F204-V350 HydrophobicContact CD1-CG2 4.22Å; F204-V350 HydrophobicContact CE1-CG1 4.19Å; F204-T354 HydrophobicContact CE1-CG2 4.33Å; F204-T354 HydrophobicContact CZ-CG2 4.31Å; F204-M373 HydrophobicContact CD2-SD 4.34Å; F204-M373 HydrophobicContact CE2-SD 3.68Å; F204-M373 HydrophobicContact CZ-SD 4.4Å; F204-L377 HydrophobicContact CD1-CD2 3.91Å; F204-L377 HydrophobicContact CE1-CD1 4.26Å; F204-L377 HydrophobicContact CE1-CD2 3.87Å; F204-L377 HydrophobicContact CG-CD2 4.4Å; F204-L377 HydrophobicContact CZ-CD1 4.04Å; F204-L377 HydrophobicContact CZ-CD2 4.3Å
205V98.9Very high98.7Very high0 Ų020.5 Ų20.50%012%0.117CC..Hα-helixtrans-59.4-51.5166.5172.30000110.6W167 M172 T201 S202 C207 S208 M209 F323 Y345W167-V205 HydrophobicContact CE3-CG2 3.6Å; W167-V205 HydrophobicContact CZ3-CG2 3.41Å; W167-V205 VanDerWaalsContact CZ3-CG2 3.41Å; M172-V205 HydrophobicContact CG-CG1 4.48Å; T201-V205 WeakPolarHBondContact O-CG2 3.35Å; T201-V205 PolarHBondContact O-N 2.82Å; S202-V205 PolarHBondContact O-N 3.33Å; V205-C207 PolarHBondContact O-N 3.15Å; V205-S208 PolarHBondContact O-N 3.09Å; V205-S208 PolarHBondContact O-OG 3.33Å; V205-M209 HydrophobicContact CG1-CG 4.05Å; V205-M209 VanDerWaalsContact O-CB 3.29Å; V205-M209 WeakPolarHBondContact O-CB 3.41Å; V205-M209 WeakPolarHBondContact O-CG 3.38Å; V205-M209 PolarHBondContact O-N 3.03Å; V205-F323 HydrophobicContact CG2-CE1 4.37Å; V205-F323 HydrophobicContact CG2-CE2 4.5Å; V205-F323 HydrophobicContact CG2-CZ 3.74Å; V205-Y345 HydrophobicContact CB-CE1 4.44Å; V205-Y345 HydrophobicContact CG1-CE1 3.88Å; V205-Y345 HydrophobicContact CG2-CD1 4.48Å; V205-Y345 HydrophobicContact CG2-CD2 4.29Å; V205-Y345 HydrophobicContact CG2-CE1 4.04Å; V205-Y345 HydrophobicContact CG2-CE2 3.82Å
206M98.9Very high98.7Very high0 Ų023.3 Ų23.30%013%0.129CC..Hα-helixtrans-55.5-51.3-178.9-176-170.662.600111.3G171 L175 P176 I179 S202 F203 S208 M209 R210 Y213G171-M206 WeakPolarHBondContact O-CA 3.22Å; G171-M206 WeakPolarHBondContact O-CB 3.35Å; G171-M206 WeakPolarHBondContact O-CG 3.36Å; L175-M206 HydrophobicContact CB-SD 3.59Å; L175-M206 VanDerWaalsContact CB-SD 3.59Å; L175-M206 HydrophobicContact CD1-CB 4.48Å; P176-M206 HydrophobicContact CG-CG 3.93Å; P176-M206 HydrophobicContact CG-SD 4.01Å; I179-M206 HydrophobicContact CD1-CE 3.55Å; I179-M206 HydrophobicContact CD1-SD 3.58Å; I179-M206 VanDerWaalsContact CD1-SD 3.58Å; S202-M206 PolarHBondContact O-N 2.99Å; F203-M206 HydrophobicContact CD2-CE 3.94Å; F203-M206 HydrophobicContact CE2-CE 3.94Å; F203-M206 WeakPolarHBondContact O-CB 3.43Å; F203-M206 PolarHBondContact O-N 2.52Å; M206-S208 VanDerWaalsContact C-N 3.34Å; M206-S208 PolarHBondContact O-N 3.11Å; M206-M209 PolarHBondContact O-N 3.19Å; M206-R210 CarbonylContact O-C 3.41Å; M206-R210 WeakPolarHBondContact O-CA 3.3Å; M206-R210 WeakPolarHBondContact O-CB 3.14Å; M206-R210 PolarHBondContact O-N 3.31Å; M206-Y213 HydrophobicContact CG-CG 4.24Å; M206-Y213 HydrophobicContact SD-CD1 3.93Å; M206-Y213 HydrophobicContact SD-CG 3.92Å
207C98.8Very high98.7Very high0 Ų023.3 Ų23.30%013%0.129CC..Hα-helixtrans-70.7-28.6-175.8-65.90000113.1F203 V205 P211 N214 V350F203-C207 PolarHBondContact O-N 3.29Å; F203-C207 PolarHBondContact O-SG 3.19Å; V205-C207 PolarHBondContact O-N 3.15Å; C207-P211 WeakPolarHBondContact O-CA 3.5Å; C207-N214 PolarHBondContact O-ND2 2.74Å; C207-V350 HydrophobicContact CB-CB 4.24Å; C207-V350 HydrophobicContact CB-CG1 4.02Å; C207-V350 HydrophobicContact CB-CG2 3.87Å
208S98.6Very high98.7Very high8 Ų825.9 Ų25.96%0.05615%0.145CC..Hα-helixtrans-78.8-36.1175.759.20000113.1F204 V205 M206 N346 L349F204-S208 VanDerWaalsContact O-CB 3.29Å; F204-S208 WeakPolarHBondContact O-CB 3.26Å; F204-S208 PolarHBondContact O-N 2.83Å; F204-S208 PolarHBondContact O-OG 3.4Å; V205-S208 PolarHBondContact O-N 3.09Å; V205-S208 PolarHBondContact O-OG 3.33Å; M206-S208 VanDerWaalsContact C-N 3.34Å; M206-S208 PolarHBondContact O-N 3.11Å; S208-N346 WeakPolarHBondContact CB-O 3.49Å; S208-L349 WeakPolarHBondContact O-CD1 3.34Å
209M98.5Very high98.7Very high89 Ų8926.4 Ų26.444%0.43815%0.149SC..Hα-helixtrans-92.4-27.3-176.5-64.1-63.6-61.600113.5M172 V205 M206 Y345M172-M209 HydrophobicContact CE-CB 4.48Å; M172-M209 HydrophobicContact SD-CB 3.34Å; M172-M209 WeakPolarHBondContact SD-CB 3.49Å; M172-M209 HydrophobicContact SD-CE 4.47Å; M172-M209 HydrophobicContact SD-CG 3.94Å; V205-M209 HydrophobicContact CG1-CG 4.05Å; V205-M209 VanDerWaalsContact O-CB 3.29Å; V205-M209 WeakPolarHBondContact O-CB 3.41Å; V205-M209 WeakPolarHBondContact O-CG 3.38Å; V205-M209 PolarHBondContact O-N 3.03Å; M206-M209 PolarHBondContact O-N 3.19Å; M209-Y345 HydrophobicContact CG-CD1 3.71Å; M209-Y345 HydrophobicContact CG-CE1 3.69Å; M209-Y345 HydrophobicContact SD-CD1 3.65Å; M209-Y345 HydrophobicContact SD-CE1 3.77Å
210R98.6Very high98.7Very high56 Ų5626.4 Ų26.421%0.21115%0.149CC..  trans-128.569177.1-56.6-178.272.8156.31.2110E87 M172 M206 A212 Y213E87-R210 IonicContact OE1-CZ 2.7Å; E87-R210 IonicContact OE1-NH1 3.34Å; E87-R210 PolarHBondContact OE1-NH1 3.06Å; E87-R210 IonicContact OE1-NH2 3.67Å; E87-R210 PolarHBondContact OE1-NH2 3.22Å; E87-R210 IonicContact OE2-NH1 2.75Å; M172-R210 HydrophobicContact CE-CG 4.09Å; M172-R210 PolarHBondContact O-NH1 2.98Å; M172-R210 HydrophobicContact SD-CG 4.21Å; M206-R210 CarbonylContact O-C 3.41Å; M206-R210 WeakPolarHBondContact O-CA 3.3Å; M206-R210 WeakPolarHBondContact O-CB 3.14Å; M206-R210 PolarHBondContact O-N 3.31Å; R210-A212 PolarHBondContact O-N 2.97Å; R210-Y213 HydrophobicContact CB-CD2 3.82Å; R210-Y213 HydrophobicContact CB-CE2 4.39Å; R210-Y213 PolarHBondContact O-N 2.83Å
211P98.4Very high98.7Very high58 Ų5826.7 Ų26.738%0.37715%0.15SC..G310 helixtrans-56.9-21.8-171.6-2735.8000115.7C207 Y213 N214 L349C207-P211 WeakPolarHBondContact O-CA 3.5Å; P211-Y213 PolarHBondContact O-N 3.09Å; P211-N214 WeakPolarHBondContact CA-ND2 3.47Å; P211-N214 WeakPolarHBondContact O-CB 3.44Å; P211-N214 PolarHBondContact O-N 3.11Å; P211-N214 PolarHBondContact O-ND2 3.48Å; P211-L349 HydrophobicContact CG-CB 4.43Å; P211-L349 HydrophobicContact CG-CD1 4.17Å
212A98.6Very high98.7Very high69 Ų6926.7 Ų26.757%0.5715%0.15SC*.G310 helixtrans-59.2-21.9172.800000113.9R210 N214 D215R210-A212 PolarHBondContact O-N 2.97Å; A212-N214 VanDerWaalsContact C-N 3.29Å; A212-D215 PolarHBondContact O-N 3.03Å
213Y98.8Very high98.7Very high12 Ų1226.6 Ų26.65%0.04715%0.149CC..G310 helixtrans-75.1-16.3174.9-81.5-92.5000113.3P176 I179 D180 M206 R210 P211 D215 K216P176-Y213 HydrophobicContact CB-CE1 3.9Å; P176-Y213 HydrophobicContact CB-CE2 3.94Å; P176-Y213 VanDerWaalsContact CB-CZ 3.47Å; P176-Y213 WeakPolarHBondContact CB-OH 3.42Å; P176-Y213 HydrophobicContact CG-CE1 4.41Å; P176-Y213 HydrophobicContact CG-CE2 4.11Å; I179-Y213 HydrophobicContact CB-CD1 4.4Å; I179-Y213 HydrophobicContact CB-CE1 4.32Å; I179-Y213 HydrophobicContact CD1-CD1 4.11Å; I179-Y213 HydrophobicContact CG2-CD1 4.16Å; I179-Y213 HydrophobicContact CG2-CE1 4.24Å; D180-Y213 PolarHBondContact OD2-OH 2.91Å; M206-Y213 HydrophobicContact CG-CG 4.24Å; M206-Y213 HydrophobicContact SD-CD1 3.93Å; M206-Y213 HydrophobicContact SD-CG 3.92Å; R210-Y213 HydrophobicContact CB-CD2 3.82Å; R210-Y213 HydrophobicContact CB-CE2 4.39Å; R210-Y213 PolarHBondContact O-N 2.83Å; P211-Y213 PolarHBondContact O-N 3.09Å; Y213-D215 PolarHBondContact O-N 3.37Å; Y213-K216 HydrophobicContact CD1-CD 3.67Å; Y213-K216 HydrophobicContact CE1-CD 3.72Å; Y213-K216 HydrophobicContact CG-CD 4.37Å; Y213-K216 PolarHBondContact O-N 2.83Å
214N98.8Very high98.7Very high9 Ų926.6 Ų26.65%0.04815%0.149CC..G310 helixtrans-57.1-36.8170.8-69.4-79.6000110.7C207 P211 A212 K216 V217 L349 T351 V352C207-N214 PolarHBondContact O-ND2 2.74Å; P211-N214 WeakPolarHBondContact CA-ND2 3.47Å; P211-N214 WeakPolarHBondContact O-CB 3.44Å; P211-N214 PolarHBondContact O-N 3.11Å; P211-N214 PolarHBondContact O-ND2 3.48Å; A212-N214 VanDerWaalsContact C-N 3.29Å; N214-K216 PolarHBondContact O-N 3.24Å; N214-V217 PolarHBondContact O-N 3.17Å; N214-L349 PolarHBondContact ND2-O 2.79Å; N214-L349 PolarHBondContact OD1-O 3.48Å; N214-T351 VanDerWaalsContact CB-OG1 3.27Å; N214-T351 WeakPolarHBondContact CB-OG1 3.29Å; N214-T351 PolarHBondContact OD1-N 3.06Å; N214-T351 PolarHBondContact OD1-OG1 3.03Å; N214-V352 HydrophobicContact CB-CG2 3.95Å; N214-V352 WeakPolarHBondContact OD1-CG2 3.27Å; N214-V352 PolarHBondContact OD1-N 3.45Å
215D98.6Very high98.7Very high112 Ų11226.7 Ų26.760%0.59915%0.15SC*.G310 helixtrans-71.9-11.6-179.5-70.8-39.8000113.9K190 A212 Y213K190-D215 WeakPolarHBondContact CD-O 3.43Å; K190-D215 WeakPolarHBondContact CE-O 3.22Å; K190-D215 WeakPolarHBondContact CG-O 3.35Å; K190-D215 PolarHBondContact NZ-O 3.11Å; A212-D215 PolarHBondContact O-N 3.03Å; Y213-D215 PolarHBondContact O-N 3.37Å
216K98.9Very high98.6Very high58 Ų5827.3 Ų27.325%0.25216%0.155SC..G310 helixtrans-96.2-2.6-179.3-66.5-177.3-179.1179.90113.4I179 D180 L183 K190 L191 Y213 N214I179-K216 HydrophobicContact CG2-CB 4.01Å; I179-K216 HydrophobicContact CG2-CD 4.18Å; D180-K216 IonicContact OD1-NZ 2.88Å; D180-K216 PolarHBondContact OD1-NZ 3.2Å; D180-K216 IonicContact OD2-NZ 3.36Å; D180-K216 PolarHBondContact OD2-NZ 3.36Å; L183-K216 HydrophobicContact CD1-CB 3.97Å; L183-K216 HydrophobicContact CD1-CD 4.13Å; L183-K216 HydrophobicContact CD1-CG 4.09Å; K190-K216 WeakPolarHBondContact CA-O 3.4Å; K190-K216 WeakPolarHBondContact CB-O 3.29Å; L191-K216 PolarHBondContact N-O 3.14Å; Y213-K216 HydrophobicContact CD1-CD 3.67Å; Y213-K216 HydrophobicContact CE1-CD 3.72Å; Y213-K216 HydrophobicContact CG-CD 4.37Å; Y213-K216 PolarHBondContact O-N 2.83Å; N214-K216 PolarHBondContact O-N 3.24Å
217V98.9Very high98.6Very high4 Ų427.3 Ų27.32%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-122.6129.1-175.6-173.30000110.4I179 L191 F203 N214 V352I179-V217 HydrophobicContact CD1-CG2 4.33Å; L191-V217 HydrophobicContact CD1-CG2 4.41Å; L191-V217 CarbonylContact O-C 3.56Å; L191-V217 VanDerWaalsContact O-CA 3.32Å; L191-V217 WeakPolarHBondContact O-CA 3.38Å; F203-V217 HydrophobicContact CE2-CG1 4.17Å; F203-V217 HydrophobicContact CE2-CG2 4Å; F203-V217 HydrophobicContact CZ-CB 4.39Å; F203-V217 HydrophobicContact CZ-CG1 4.03Å; F203-V217 HydrophobicContact CZ-CG2 4.23Å; N214-V217 PolarHBondContact O-N 3.17Å; V217-V352 HydrophobicContact CB-CG1 4.01Å; V217-V352 HydrophobicContact CB-CG2 3.91Å; V217-V352 HydrophobicContact CG1-CG1 3.7Å; V217-V352 HydrophobicContact CG1-CG2 4.43Å
218V98.7Very high98.4Very high65 Ų6528.7 Ų28.739%0.39416%0.16SC..EExtended strand (participates in β ladder)trans-75.7-46.6178.5-179.50000110.8K190 L191 H192K190-V218 HydrophobicContact CB-CG2 3.51Å; K190-V218 HydrophobicContact CD-CG2 4.33Å; L191-V218 PolarHBondContact O-N 3.12Å; H192-V218 VanDerWaalsContact CE1-CG1 3.44Å; H192-V218 WeakPolarHBondContact CE1-CG1 3.37Å
219S98.6Very high98.1Very high14 Ų1428.8 Ų28.810%0.09816%0.162CC..EExtended strand (participates in β ladder)trans-156.1148.2-179.368.50000111.1H192 Y193 P353H192-S219 PolarHBondContact ND1-OG 3.43Å; Y193-S219 PolarHBondContact N-O 3.38Å; S219-P353 WeakPolarHBondContact CA-O 3.44Å
220M98.7Very high97.7Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-109.3123.5171.416845.9166.400110.2Y193 C200 F203 F204 A222 V352 P353 T354 F355Y193-M220 HydrophobicContact CD1-CE 4.06Å; Y193-M220 HydrophobicContact CD1-SD 3.39Å; Y193-M220 WeakPolarHBondContact CD1-SD 3.21Å; Y193-M220 HydrophobicContact CE1-CE 4Å; Y193-M220 HydrophobicContact CE1-SD 3.96Å; Y193-M220 HydrophobicContact CG-SD 4.41Å; Y193-M220 CarbonylContact O-C 3.55Å; Y193-M220 WeakPolarHBondContact O-CA 3.46Å; C200-M220 HydrophobicContact CB-CE 4.07Å; F203-M220 HydrophobicContact CB-CE 4.13Å; F203-M220 HydrophobicContact CD1-CB 4.4Å; F203-M220 HydrophobicContact CD1-CE 4.02Å; F203-M220 HydrophobicContact CD1-CG 3.85Å; F203-M220 HydrophobicContact CD1-SD 4.14Å; F203-M220 HydrophobicContact CE1-CB 3.7Å; F203-M220 HydrophobicContact CE1-CG 3.65Å; F203-M220 HydrophobicContact CE1-SD 4.33Å; F203-M220 HydrophobicContact CG-CE 4.09Å; F203-M220 HydrophobicContact CG-SD 4.3Å; F203-M220 HydrophobicContact CZ-CB 3.89Å; F203-M220 HydrophobicContact CZ-CG 4.21Å; F204-M220 HydrophobicContact CE1-CE 4.45Å; F204-M220 HydrophobicContact CE1-CG 4.31Å; F204-M220 HydrophobicContact CZ-CE 4.31Å; M220-A222 HydrophobicContact CE-CB 3.84Å; M220-A222 HydrophobicContact CG-CB 4.49Å; M220-V352 HydrophobicContact CB-CG1 3.93Å; M220-P353 PolarHBondContact N-O 2.96Å; M220-T354 HydrophobicContact CB-CG2 4.35Å; M220-T354 HydrophobicContact CG-CG2 3.94Å; M220-T354 CarbonylContact O-C 3.33Å; M220-T354 WeakPolarHBondContact O-CA 3.37Å; M220-F355 PolarHBondContact O-N 3.46Å
221Q98.9Very high97.3Very high5 Ų532.2 Ų32.22%0.02318%0.177CC..EExtended strand (participates in β ladder)trans-104.299.1172.2-52.6-65.7-40.600108.1F105 Y193 A194 G195 L223 Y357 M410 L414F105-Q221 HydrophobicContact CZ-CG 4.21Å; Y193-Q221 PolarHBondContact O-N 3.18Å; A194-Q221 VanDerWaalsContact CA-O 3.23Å; A194-Q221 WeakPolarHBondContact CA-O 3.23Å; A194-Q221 HydrophobicContact CB-CB 3.8Å; A194-Q221 WeakPolarHBondContact CB-O 3.49Å; G195-Q221 PolarHBondContact N-O 3.29Å; Q221-L223 PolarHBondContact O-N 3.36Å; Q221-Y357 HydrophobicContact CB-CE2 4.11Å; Q221-Y357 VanDerWaalsContact OE1-CE2 3.28Å; Q221-Y357 PolarHBondContact OE1-OH 3.41Å; Q221-M410 HydrophobicContact CB-CE 4.04Å; Q221-M410 HydrophobicContact CB-SD 4.34Å; Q221-M410 HydrophobicContact CG-CE 3.99Å; Q221-M410 HydrophobicContact CG-CG 4.38Å; Q221-L414 HydrophobicContact CG-CD2 4.31Å
222A98.9Very high96.6Very high0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-89.9104.8-173.200000110.7F204 M220 P225 T354 F355 V356 Y357F204-A222 HydrophobicContact CZ-CB 4.24Å; M220-A222 HydrophobicContact CE-CB 3.84Å; M220-A222 HydrophobicContact CG-CB 4.49Å; A222-P225 HydrophobicContact CB-CB 4.41Å; A222-T354 HydrophobicContact CB-CG2 4.27Å; A222-F355 PolarHBondContact N-O 2.8Å; A222-V356 HydrophobicContact CB-CG2 4.27Å; A222-Y357 PolarHBondContact O-N 3.44Å
223L98.9Very high95.9Very high0 Ų030.4 Ų30.40%015%0.152CC..EExtended strand (participates in β ladder)trans-95.2114.3179.9-52176.6000109.4L127 G195 H196 S197 Q221 Y357 F396 L406 M410L127-L223 HydrophobicContact CD2-CD1 3.99Å; G195-L223 WeakPolarHBondContact O-CB 3.27Å; G195-L223 PolarHBondContact O-N 3.1Å; H196-L223 CarbonylContact C-O 3.59Å; H196-L223 VanDerWaalsContact CA-O 3.31Å; H196-L223 WeakPolarHBondContact CA-O 3.26Å; H196-L223 HydrophobicContact CB-CB 4.42Å; S197-L223 PolarHBondContact N-O 3Å; Q221-L223 PolarHBondContact O-N 3.36Å; L223-Y357 HydrophobicContact CD2-CD2 3.56Å; L223-Y357 HydrophobicContact CD2-CE2 4.22Å; L223-Y357 HydrophobicContact CD2-CG 3.86Å; L223-F396 HydrophobicContact CB-CD1 3.96Å; L223-F396 HydrophobicContact CD2-CD1 4.4Å; L223-L406 HydrophobicContact CD2-CD1 4.5Å; L223-L406 HydrophobicContact CD2-CD2 3.9Å; L223-M410 HydrophobicContact CD2-SD 4.46Å
224A98.4Very high95.2Very high0 Ų036.3 Ų36.30%019%0.185CC..SBendtrans48.564.8-178.900000113.1S197 A226 Y357 D362 C365 F396S197-A224 WeakPolarHBondContact CA-O 3.34Å; S197-A224 PolarHBondContact N-O 3.31Å; A224-A226 PolarHBondContact O-N 3.37Å; A224-Y357 PolarHBondContact N-O 3.5Å; A224-D362 WeakPolarHBondContact CB-OD2 3.4Å; A224-C365 PolarHBondContact O-SG 3.07Å; A224-F396 HydrophobicContact CB-CD1 4.41Å; A224-F396 HydrophobicContact CB-CD2 3.82Å; A224-F396 HydrophobicContact CB-CE1 4.34Å; A224-F396 HydrophobicContact CB-CE2 3.75Å; A224-F396 HydrophobicContact CB-CG 4.19Å; A224-F396 HydrophobicContact CB-CZ 4.04Å
225P98.5Very high94.4Very high2 Ų238.1 Ų38.11%0.01319%0.193CC..  trans-71.5113-169.729-35.5000113.3C200 F204 A222 V227 V356 V370 M373C200-P225 HydrophobicContact CB-CB 3.7Å; F204-P225 HydrophobicContact CE2-CB 4.18Å; A222-P225 HydrophobicContact CB-CB 4.41Å; P225-V227 HydrophobicContact CB-CG2 4.29Å; P225-V227 PolarHBondContact O-N 3.46Å; P225-V227 VanDerWaalsContact O-N 3.11Å; P225-V356 HydrophobicContact CG-CG1 3.86Å; P225-V370 HydrophobicContact CG-CG1 3.94Å; P225-V370 HydrophobicContact CG-CG2 4.19Å; P225-M373 HydrophobicContact CB-CE 4.11Å; P225-M373 HydrophobicContact CB-SD 3.72Å; P225-M373 HydrophobicContact CG-CE 3.66Å; P225-M373 HydrophobicContact CG-SD 3.86Å
226A97.2Very high93.7Very high12 Ų1236 Ų3610%0.09919%0.185CC..  trans-84.276179.500000112.2T201 A224 F314T201-A226 PolarHBondContact OG1-O 2.75Å; A224-A226 PolarHBondContact O-N 3.37Å; A226-F314 HydrophobicContact CB-CE1 4.07Å; A226-F314 HydrophobicContact CB-CZ 4.38Å
227V97.7Very high92.7Very high1 Ų135 Ų351%0.00618%0.18CC..SBendtrans-115.7-56.7-173.8-176.50000112.1F204 P225 I317 F323 L347 M373F204-V227 HydrophobicContact CD2-CG2 3.47Å; F204-V227 VanDerWaalsContact CD2-CG2 3.47Å; F204-V227 HydrophobicContact CE2-CG2 3.78Å; P225-V227 HydrophobicContact CB-CG2 4.29Å; P225-V227 PolarHBondContact O-N 3.46Å; P225-V227 VanDerWaalsContact O-N 3.11Å; V227-I317 WeakPolarHBondContact O-CG2 3.3Å; V227-F323 HydrophobicContact CG1-CB 4.06Å; V227-F323 HydrophobicContact CG1-CD1 3.49Å; V227-F323 VanDerWaalsContact CG1-CD1 3.49Å; V227-F323 HydrophobicContact CG1-CD2 3.82Å; V227-F323 HydrophobicContact CG1-CE1 3.81Å; V227-F323 HydrophobicContact CG1-CE2 4.14Å; V227-F323 HydrophobicContact CG1-CG 3.51Å; V227-F323 HydrophobicContact CG1-CZ 4.12Å; V227-F323 WeakPolarHBondContact O-CD2 3.15Å; V227-L347 HydrophobicContact CG1-CD1 4.1Å; V227-M373 HydrophobicContact CB-CB 4.47Å; V227-M373 HydrophobicContact CB-CG 3.86Å; V227-M373 HydrophobicContact CB-SD 3.77Å; V227-M373 HydrophobicContact CG1-CG 3.92Å; V227-M373 HydrophobicContact CG1-SD 4.38Å; V227-M373 HydrophobicContact CG2-CG 4.1Å; V227-M373 HydrophobicContact CG2-SD 3.44Å; V227-M373 WeakPolarHBondContact CG2-SD 3.34Å
228Y96.4Very high91.9Very high28 Ų2835.2 Ų35.211%0.1118%0.181CC..  trans-103.3149.5168.6-60.3-29000108.9F323 D369 M373 D376Y228-F323 HydrophobicContact CD1-CB 3.8Å; Y228-F323 HydrophobicContact CE1-CB 3.43Å; Y228-F323 VanDerWaalsContact CE1-CB 3.43Å; Y228-F323 HydrophobicContact CE1-CG 4.45Å; Y228-D369 WeakPolarHBondContact O-CB 3.4Å; Y228-M373 HydrophobicContact CD2-CB 3.78Å; Y228-M373 VanDerWaalsContact CE2-CA 3.42Å; Y228-M373 HydrophobicContact CE2-CB 3.99Å; Y228-M373 HydrophobicContact CG-CB 4.49Å; Y228-D376 WeakPolarHBondContact CE2-OD2 3.39Å; Y228-D376 VanDerWaalsContact CZ-OD2 3.31Å; Y228-D376 PolarHBondContact OH-OD2 3.43Å
229A91.8Very high91.2Very high10 Ų1039 Ų398%0.08319%0.188CC..  trans-152.832.4-174.600000111.3T232 I317 I318 D369A229-T232 PolarHBondContact O-OG1 3.32Å; A229-I317 HydrophobicContact CB-CG2 4.16Å; A229-I318 HydrophobicContact CB-CG1 3.63Å; A229-D369 WeakPolarHBondContact CA-OD2 3.24Å
230K89.3Confident90.3Very high135 Ų13538.6 Ų38.659%0.58719%0.185SC*.SBendtrans-72.5-38-176.2-174-174.3177.8-169.80110.5T232 E233 D369K230-T232 PolarHBondContact O-N 3.42Å; K230-E233 PolarHBondContact O-N 3.44Å; K230-D369 PolarHBondContact N-OD1 3.49Å; K230-D369 PolarHBondContact N-OD2 2.9Å
231E90.3Very high89.4Confident83 Ų8340 Ų4039%0.38819%0.193SC..THydrogen-bonded Turntrans-75.6-11.9-177.2-58.6-78.613400112.3H366 K368 D369E231-H366 HydrophobicContact CB-CB 3.96Å; E231-K368 HydrophobicContact CG-CB 4.08Å; E231-K368 HydrophobicContact CG-CD 4.17Å; E231-K368 WeakPolarHBondContact OE2-CD 3.49Å; E231-K368 IonicContact OE2-NZ 3.3Å; E231-K368 PolarHBondContact OE2-NZ 2.85Å; E231-D369 WeakPolarHBondContact CB-OD2 3.44Å; E231-D369 PolarHBondContact N-OD1 3.34Å; E231-D369 PolarHBondContact N-OD2 3.32Å
232T84.5Confident88.5Confident7 Ų740.4 Ų40.44%0.04320%0.196CC..THydrogen-bonded Turntrans-89.3-10.8178.668.10000113.4A229 K230 D234 H235 I238 L363 H366A229-T232 PolarHBondContact O-OG1 3.32Å; K230-T232 PolarHBondContact O-N 3.42Å; T232-D234 VanDerWaalsContact C-N 3.34Å; T232-D234 PolarHBondContact O-N 3Å; T232-H235 VanDerWaalsContact O-CB 3.27Å; T232-H235 WeakPolarHBondContact O-CB 3.29Å; T232-H235 PolarHBondContact O-N 3.23Å; T232-H235 VanDerWaalsContact O-N 3.08Å; T232-I238 WeakPolarHBondContact O-CB 3.48Å; T232-L363 WeakPolarHBondContact CG2-O 3.42Å; T232-H366 HydrophobicContact CG2-CB 3.94Å
233E83.2Confident87.6Confident81 Ų8145.2 Ų45.238%0.37922%0.221SC..THydrogen-bonded Turntrans-58.2-42.4-174.4-176.8173.5-159.900113.1K230 H235 I318K230-E233 PolarHBondContact O-N 3.44Å; E233-H235 VanDerWaalsContact C-N 3.25Å; E233-H235 PolarHBondContact O-N 2.96Å; E233-I318 HydrophobicContact CB-CG2 3.76Å; E233-I318 HydrophobicContact CG-CG2 4.06Å
234D83.5Confident86.6Confident137 Ų13746.6 Ų46.673%0.73323%0.226SC*.THydrogen-bonded Turntrans-78.6-7.5-177.9-75.6-39.7000113.5T232T232-D234 VanDerWaalsContact C-N 3.34Å; T232-D234 PolarHBondContact O-N 3Å
235H83.3Confident85.6Confident46 Ų4646.9 Ų46.921%0.21323%0.228CC..  trans-65.1126-179.5-173.3-102.4000110.6T232 E233 Y237 I238 R239 G281T232-H235 VanDerWaalsContact O-CB 3.27Å; T232-H235 WeakPolarHBondContact O-CB 3.29Å; T232-H235 PolarHBondContact O-N 3.23Å; T232-H235 VanDerWaalsContact O-N 3.08Å; E233-H235 VanDerWaalsContact C-N 3.25Å; E233-H235 PolarHBondContact O-N 2.96Å; H235-Y237 VanDerWaalsContact C-N 3.28Å; H235-Y237 AromaticContact CE1-CD2 3.47Å; H235-Y237 VanDerWaalsContact CE1-CD2 3.47Å; H235-Y237 WeakPolarHBondContact CE1-CD2 3.34Å; H235-Y237 PolarHBondContact O-N 3.44Å; H235-Y237 VanDerWaalsContact O-N 3.1Å; H235-I238 HydrophobicContact CB-CB 4.1Å; H235-I238 HydrophobicContact CB-CG1 3.88Å; H235-I238 PolarHBondContact O-N 3.38Å; H235-R239 PolarHBondContact O-N 2.97Å; H235-G281 PolarHBondContact CE1-O 2.82Å
236P83.4Confident84.4Confident68 Ų6849.5 Ų49.544%0.44224%0.242SC..Hα-helixtrans-56.9-35.7-169.2-28.834.9000115.2A240P236-A240 WeakPolarHBondContact O-CB 3.41Å; P236-A240 PolarHBondContact O-N 3.19Å
237Y78.6Confident83.3Confident37 Ų3753 Ų5315%0.14527%0.266CS..Hα-helixtrans-75.9-40.2178.3-68.8-85.1000112L5 L9 H235 R239 A240 I241 G281L5-Y237 VanDerWaalsContact CB-OH 3.27Å; L5-Y237 WeakPolarHBondContact CB-OH 3.48Å; L9-Y237 HydrophobicContact CB-CD1 4.35Å; L9-Y237 HydrophobicContact CB-CE1 4.31Å; L9-Y237 HydrophobicContact CD2-CD1 3.54Å; L9-Y237 HydrophobicContact CD2-CE1 4.25Å; L9-Y237 HydrophobicContact CD2-CG 4.48Å; H235-Y237 VanDerWaalsContact C-N 3.28Å; H235-Y237 AromaticContact CE1-CD2 3.47Å; H235-Y237 VanDerWaalsContact CE1-CD2 3.47Å; H235-Y237 WeakPolarHBondContact CE1-CD2 3.34Å; H235-Y237 PolarHBondContact O-N 3.44Å; H235-Y237 VanDerWaalsContact O-N 3.1Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 3.23Å; Y237-A240 PolarHBondContact O-N 3.35Å; Y237-I241 WeakPolarHBondContact O-CB 3.38Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 2.96Å; Y237-G281 WeakPolarHBondContact CB-O 3.45Å; Y237-G281 WeakPolarHBondContact CD2-O 3.25Å
238I81.4Confident82Confident9 Ų953.6 Ų53.65%0.04627%0.268CS..Hα-helixtrans-63-42.3175-60.8-58.3000110.1T232 H235 A240 I241 S242 I318 L364T232-I238 WeakPolarHBondContact O-CB 3.48Å; H235-I238 HydrophobicContact CB-CB 4.1Å; H235-I238 HydrophobicContact CB-CG1 3.88Å; H235-I238 PolarHBondContact O-N 3.38Å; I238-A240 PolarHBondContact O-N 3.08Å; I238-I241 PolarHBondContact O-N 3.47Å; I238-S242 VanDerWaalsContact O-CB 3.29Å; I238-S242 WeakPolarHBondContact O-CB 3.44Å; I238-S242 PolarHBondContact O-N 3.23Å; I238-I318 HydrophobicContact CG2-CD1 3.89Å; I238-I318 HydrophobicContact CG2-CG2 4.21Å; I238-L364 HydrophobicContact CD1-CD2 3.69Å
239R83.5Confident80.5Confident145 Ų14556.5 Ų56.555%0.54729%0.289SS..Hα-helixtrans-63-41.7173.8-173.1172.4175.7171.41112.5H235 Y237 S242 L243H235-R239 PolarHBondContact O-N 2.97Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 3.23Å; R239-S242 PolarHBondContact O-N 2.93Å; R239-L243 HydrophobicContact CG-CD1 4.38Å; R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.45Å; R239-L243 PolarHBondContact O-N 2.82Å
240A81.1Confident79.3Confident4 Ų459.8 Ų59.83%0.03332%0.324CS..Hα-helixtrans-63.6-44.7177.300000111.8L10 P236 Y237 I238 L243 Y244L10-A240 HydrophobicContact CD1-CB 4.42Å; L10-A240 HydrophobicContact CD2-CB 4.23Å; L10-A240 HydrophobicContact CG-CB 4.34Å; P236-A240 WeakPolarHBondContact O-CB 3.41Å; P236-A240 PolarHBondContact O-N 3.19Å; Y237-A240 PolarHBondContact O-N 3.35Å; I238-A240 PolarHBondContact O-N 3.08Å; A240-L243 PolarHBondContact O-N 3.26Å; A240-Y244 WeakPolarHBondContact O-CB 3.4Å; A240-Y244 PolarHBondContact O-N 3.16Å
241I78.2Confident78.3Confident31 Ų3155.2 Ų55.216%0.15931%0.309CS..Hα-helixtrans-61.3-50.2173.9-75.7176.4000110.3L9 L13 Y237 I238 L243 Y244 F245 I282L9-I241 HydrophobicContact CD2-CD1 4.23Å; L9-I241 HydrophobicContact CD2-CG1 4.34Å; L13-I241 HydrophobicContact CD1-CG1 4.06Å; Y237-I241 WeakPolarHBondContact O-CB 3.38Å; Y237-I241 WeakPolarHBondContact O-CG1 3.38Å; Y237-I241 PolarHBondContact O-N 2.96Å; I238-I241 PolarHBondContact O-N 3.47Å; I241-L243 VanDerWaalsContact C-N 3.29Å; I241-L243 PolarHBondContact O-N 2.92Å; I241-Y244 PolarHBondContact O-N 2.93Å; I241-Y244 VanDerWaalsContact O-N 3.11Å; I241-F245 HydrophobicContact CB-CD2 4.49Å; I241-F245 HydrophobicContact CG2-CD2 3.52Å; I241-F245 HydrophobicContact CG2-CE2 3.69Å; I241-F245 WeakPolarHBondContact O-CB 3.41Å; I241-F245 VanDerWaalsContact O-CD2 3.27Å; I241-F245 WeakPolarHBondContact O-CD2 3.27Å; I241-F245 PolarHBondContact O-N 3.2Å; I241-I282 HydrophobicContact CD1-CB 4.36Å; I241-I282 HydrophobicContact CD1-CG2 3.27Å
242S80.1Confident77.5Confident13 Ų1356.1 Ų56.19%0.09132%0.324CS..Hα-helixtrans-54-46.4177.5-178.30000111.5I238 R239 N246I238-S242 VanDerWaalsContact O-CB 3.29Å; I238-S242 WeakPolarHBondContact O-CB 3.44Å; I238-S242 PolarHBondContact O-N 3.23Å; R239-S242 PolarHBondContact O-N 2.93Å; S242-N246 VanDerWaalsContact O-CB 3.3Å; S242-N246 WeakPolarHBondContact O-CB 3.22Å; S242-N246 PolarHBondContact O-N 2.91Å; S242-N246 PolarHBondContact O-ND2 3.3Å; S242-N246 PolarHBondContact OG-ND2 3.45Å
243L81.3Confident77.1Confident100 Ų10057.4 Ų57.452%0.52433%0.33SS..Hα-helixtrans-62.2-47.1176.1-72.5171.2000112.5R239 A240 I241 N246 S247R239-L243 HydrophobicContact CG-CD1 4.38Å; R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.45Å; R239-L243 PolarHBondContact O-N 2.82Å; A240-L243 PolarHBondContact O-N 3.26Å; I241-L243 VanDerWaalsContact C-N 3.29Å; I241-L243 PolarHBondContact O-N 2.92Å; L243-N246 PolarHBondContact O-N 3.15Å; L243-S247 PolarHBondContact O-N 3.41Å
244Y78.2Confident77.1Confident29 Ų2958.3 Ų58.311%0.11433%0.331CS..Hα-helixtrans-59.4-49.2178173-96.3000111.4L13 V17 A240 I241 N246 S247 L248L13-Y244 HydrophobicContact CB-CD1 4.45Å; L13-Y244 HydrophobicContact CB-CD2 4.41Å; L13-Y244 HydrophobicContact CB-CE1 4.1Å; L13-Y244 HydrophobicContact CB-CE2 4.03Å; L13-Y244 HydrophobicContact CD1-CD1 4.3Å; L13-Y244 HydrophobicContact CD1-CG 4.49Å; L13-Y244 HydrophobicContact CD2-CE1 4.5Å; L13-Y244 PolarHBondContact O-OH 2.89Å; V17-Y244 WeakPolarHBondContact CB-OH 3.49Å; V17-Y244 WeakPolarHBondContact CG2-OH 3.44Å; A240-Y244 WeakPolarHBondContact O-CB 3.4Å; A240-Y244 PolarHBondContact O-N 3.16Å; I241-Y244 PolarHBondContact O-N 2.93Å; I241-Y244 VanDerWaalsContact O-N 3.11Å; Y244-N246 PolarHBondContact O-N 2.87Å; Y244-S247 WeakPolarHBondContact O-CA 3.39Å; Y244-S247 VanDerWaalsContact O-CB 3.3Å; Y244-S247 WeakPolarHBondContact O-CB 3.36Å; Y244-S247 PolarHBondContact O-N 3.44Å; Y244-S247 PolarHBondContact O-OG 3.22Å; Y244-L248 HydrophobicContact CD1-CD1 4.33Å; Y244-L248 HydrophobicContact CE1-CD1 3.72Å; Y244-L248 HydrophobicContact CE1-CG 4.35Å; Y244-L248 PolarHBondContact O-N 3.39Å
245F75.3Confident77.1Confident7 Ų754 Ų543%0.03131%0.306CS..Hα-helixtrans-68.3-33.1179-84.9-92.8000113.1I241 S247 L248 V249 M256 F257 V311 I315I241-F245 HydrophobicContact CB-CD2 4.49Å; I241-F245 HydrophobicContact CG2-CD2 3.52Å; I241-F245 HydrophobicContact CG2-CE2 3.69Å; I241-F245 WeakPolarHBondContact O-CB 3.41Å; I241-F245 VanDerWaalsContact O-CD2 3.27Å; I241-F245 WeakPolarHBondContact O-CD2 3.27Å; I241-F245 PolarHBondContact O-N 3.2Å; F245-S247 PolarHBondContact O-N 3.45Å; F245-L248 HydrophobicContact CD1-CD1 4.46Å; F245-L248 WeakPolarHBondContact O-CB 3.47Å; F245-L248 PolarHBondContact O-N 2.96Å; F245-L248 VanDerWaalsContact O-N 3.12Å; F245-V249 PolarHBondContact O-N 3.43Å; F245-M256 HydrophobicContact CD1-CE 4.08Å; F245-M256 HydrophobicContact CD1-SD 4.16Å; F245-M256 HydrophobicContact CE1-CE 3.16Å; F245-M256 HydrophobicContact CE1-SD 3.4Å; F245-M256 WeakPolarHBondContact CE1-SD 3.09Å; F245-M256 HydrophobicContact CZ-CE 3.44Å; F245-M256 VanDerWaalsContact CZ-CE 3.44Å; F245-M256 HydrophobicContact CZ-SD 4.22Å; F245-F257 HydrophobicContact CZ-CE2 4.07Å; F245-F257 AromaticContact CZ-CZ 3.99Å; F245-F257 HydrophobicContact CZ-CZ 3.99Å; F245-V311 HydrophobicContact CD1-CB 3.9Å; F245-V311 HydrophobicContact CD1-CG1 3.49Å; F245-V311 VanDerWaalsContact CD1-CG1 3.49Å; F245-V311 HydrophobicContact CD2-CG1 4.2Å; F245-V311 HydrophobicContact CE1-CB 3.62Å; F245-V311 HydrophobicContact CE1-CG1 3.31Å; F245-V311 HydrophobicContact CE1-CG2 3.77Å; F245-V311 HydrophobicContact CE2-CG1 4.1Å; F245-V311 HydrophobicContact CG-CG1 3.93Å; F245-V311 HydrophobicContact CZ-CB 4.32Å; F245-V311 HydrophobicContact CZ-CG1 3.66Å; F245-V311 HydrophobicContact CZ-CG2 4.25Å; F245-I315 HydrophobicContact CB-CD1 3.37Å; F245-I315 HydrophobicContact CG-CD1 4.03Å
246N74.3Confident77.1Confident57 Ų5752.7 Ų52.731%0.30530%0.3SS..Hα-helixtrans-62.7-33.6170.4-70.1-39.8000110.9S242 L243 Y244 L248 V249 K319S242-N246 VanDerWaalsContact O-CB 3.3Å; S242-N246 WeakPolarHBondContact O-CB 3.22Å; S242-N246 PolarHBondContact O-N 2.91Å; S242-N246 PolarHBondContact O-ND2 3.3Å; S242-N246 PolarHBondContact OG-ND2 3.45Å; L243-N246 PolarHBondContact O-N 3.15Å; Y244-N246 PolarHBondContact O-N 2.87Å; N246-L248 VanDerWaalsContact C-N 3.25Å; N246-L248 PolarHBondContact O-N 3.36Å; N246-V249 VanDerWaalsContact O-CB 3.22Å; N246-V249 WeakPolarHBondContact O-CB 3.41Å; N246-V249 WeakPolarHBondContact O-CG2 3.39Å; N246-V249 PolarHBondContact O-N 2.89Å; N246-V249 VanDerWaalsContact O-N 3.14Å; N246-K319 PolarHBondContact ND2-NZ 3.01Å; N246-K319 PolarHBondContact OD1-NZ 2.92Å
247S73.6Confident77Confident86 Ų8652.1 Ų52.160%0.60129%0.291SS*.Hα-helixtrans-68.7-23.5174.384.90000113.4L243 Y244 F245 V249L243-S247 PolarHBondContact O-N 3.41Å; Y244-S247 WeakPolarHBondContact O-CA 3.39Å; Y244-S247 VanDerWaalsContact O-CB 3.3Å; Y244-S247 WeakPolarHBondContact O-CB 3.36Å; Y244-S247 PolarHBondContact O-N 3.44Å; Y244-S247 PolarHBondContact O-OG 3.22Å; F245-S247 PolarHBondContact O-N 3.45Å; S247-V249 VanDerWaalsContact C-N 3.29Å
248L71.3Confident76.5Confident12 Ų1253.5 Ų53.56%0.06330%0.301CS..THydrogen-bonded Turntrans-82.6-5173.4-55.3-175.3000112.5Y244 F245 N246 G250 S251 I253 M256Y244-L248 HydrophobicContact CD1-CD1 4.33Å; Y244-L248 HydrophobicContact CE1-CD1 3.72Å; Y244-L248 HydrophobicContact CE1-CG 4.35Å; Y244-L248 PolarHBondContact O-N 3.39Å; F245-L248 HydrophobicContact CD1-CD1 4.46Å; F245-L248 WeakPolarHBondContact O-CB 3.47Å; F245-L248 PolarHBondContact O-N 2.96Å; F245-L248 VanDerWaalsContact O-N 3.12Å; N246-L248 VanDerWaalsContact C-N 3.25Å; N246-L248 PolarHBondContact O-N 3.36Å; L248-G250 PolarHBondContact O-N 3.49Å; L248-S251 VanDerWaalsContact O-CB 3.31Å; L248-S251 WeakPolarHBondContact O-CB 3.01Å; L248-S251 PolarHBondContact O-N 2.97Å; L248-S251 PolarHBondContact O-OG 3.37Å; L248-I253 HydrophobicContact CD1-CD1 4.11Å; L248-I253 HydrophobicContact CD2-CD1 3.85Å; L248-I253 HydrophobicContact CG-CD1 4.43Å; L248-M256 HydrophobicContact CD1-CE 3.85Å
249V65.6Low75.9Confident89 Ų8954.2 Ų54.254%0.53931%0.31SS..THydrogen-bonded Turntrans-64.9121.6174.2176.80000109F245 N246 S247 K312F245-V249 PolarHBondContact O-N 3.43Å; N246-V249 VanDerWaalsContact O-CB 3.22Å; N246-V249 WeakPolarHBondContact O-CB 3.41Å; N246-V249 WeakPolarHBondContact O-CG2 3.39Å; N246-V249 PolarHBondContact O-N 2.89Å; N246-V249 VanDerWaalsContact O-N 3.14Å; S247-V249 VanDerWaalsContact C-N 3.29Å; V249-K312 HydrophobicContact CG2-CD 4.45Å
250G65Low75Confident79 Ų7948.5 Ų48.581%0.81429%0.29SS*.THydrogen-bonded Turntrans92.8-9.1-173.800000114.5L248L248-G250 PolarHBondContact O-N 3.49Å
251S68.4Low74.4Confident40 Ų4049.6 Ų49.628%0.2829%0.294SS..SBendtrans-71.5159170.5730000111.7L248 I253L248-S251 VanDerWaalsContact O-CB 3.31Å; L248-S251 WeakPolarHBondContact O-CB 3.01Å; L248-S251 PolarHBondContact O-N 2.97Å; L248-S251 PolarHBondContact O-OG 3.37Å; S251-I253 PolarHBondContact O-N 2.84Å; S251-I253 PolarHBondContact OG-N 3.27Å
252S73.4Confident74Confident102 Ų10250.4 Ų50.471%0.71330%0.295SS*.SBendtrans-74.31.4173.854.20000113.8R254S252-R254 WeakPolarHBondContact O-CG 3.36Å; S252-R254 PolarHBondContact O-N 3.18Å; S252-R254 VanDerWaalsContact O-N 3.16Å
253I77.8Confident73.4Confident33 Ų3355.9 Ų55.917%0.16932%0.317CS..  trans-67.5112.8-178.7-64.4166.5000109.1V17 L248 S251 E255 M256V17-I253 HydrophobicContact CG1-CD1 4.44Å; V17-I253 HydrophobicContact CG2-CD1 4.02Å; L248-I253 HydrophobicContact CD1-CD1 4.11Å; L248-I253 HydrophobicContact CD2-CD1 3.85Å; L248-I253 HydrophobicContact CG-CD1 4.43Å; S251-I253 PolarHBondContact O-N 2.84Å; S251-I253 PolarHBondContact OG-N 3.27Å; I253-E255 WeakPolarHBondContact CG2-O 3.49Å; I253-M256 HydrophobicContact CG2-CG 3.56Å; I253-M256 HydrophobicContact CG2-SD 4.02Å
254R82.1Confident72.8Confident101 Ų10152.1 Ų52.138%0.38130%0.298SS..  trans-104.1-51.3-177.8-63147.9-170-162.3-2.8110.6D158 S160 W163 S252 A308D158-R254 PolarHBondContact O-NH1 2.94Å; S160-R254 VanDerWaalsContact N-NH1 3.15Å; S160-R254 PolarHBondContact OG-NE 3.43Å; S160-R254 PolarHBondContact OG-NH2 2.93Å; W163-R254 HydrophobicContact CB-CB 3.87Å; W163-R254 HydrophobicContact CG-CB 3.79Å; S252-R254 WeakPolarHBondContact O-CG 3.36Å; S252-R254 PolarHBondContact O-N 3.18Å; S252-R254 VanDerWaalsContact O-N 3.16Å; R254-A308 PolarHBondContact O-N 3.35Å
255E84.4Confident72.6Confident45 Ų4550.9 Ų50.921%0.2129%0.293CS..EExtended strand (participates in β ladder)trans-100.5145.8175.8179.3174-156.900110.4R150 W163 I253 N258R150-E255 IonicContact CZ-OE1 3.5Å; R150-E255 IonicContact CZ-OE2 3.6Å; R150-E255 IonicContact NH1-OE1 3.63Å; R150-E255 PolarHBondContact NH1-OE1 3.43Å; R150-E255 IonicContact NH1-OE2 2.63Å; R150-E255 PolarHBondContact NH1-OE2 3.12Å; R150-E255 IonicContact NH2-OE2 2.83Å; W163-E255 HydrophobicContact CD2-CB 4.07Å; W163-E255 HydrophobicContact CE3-CB 4.15Å; W163-E255 HydrophobicContact CH2-CB 3.79Å; W163-E255 HydrophobicContact CH2-CG 3.5Å; W163-E255 VanDerWaalsContact CH2-CG 3.5Å; W163-E255 WeakPolarHBondContact CH2-OE1 3.43Å; W163-E255 HydrophobicContact CZ2-CB 3.71Å; W163-E255 VanDerWaalsContact CZ2-CD 3.47Å; W163-E255 HydrophobicContact CZ2-CG 3.83Å; W163-E255 HydrophobicContact CZ3-CB 4.01Å; W163-E255 HydrophobicContact CZ3-CG 3.88Å; I253-E255 WeakPolarHBondContact CG2-O 3.49Å; E255-N258 HydrophobicContact CG-CB 4.28Å; E255-N258 WeakPolarHBondContact OE1-CB 3.36Å; E255-N258 PolarHBondContact OE1-ND2 3.39Å
256M82.2Confident72.5Confident19 Ų1956.9 Ų56.99%0.09432%0.316CS..EExtended strand (participates in β ladder)trans-137.3150.9176.4-59.7-173.165.400110.7F245 L248 I253 G305 V306 A308F245-M256 HydrophobicContact CD1-CE 4.08Å; F245-M256 HydrophobicContact CD1-SD 4.16Å; F245-M256 HydrophobicContact CE1-CE 3.16Å; F245-M256 HydrophobicContact CE1-SD 3.4Å; F245-M256 WeakPolarHBondContact CE1-SD 3.09Å; F245-M256 HydrophobicContact CZ-CE 3.44Å; F245-M256 VanDerWaalsContact CZ-CE 3.44Å; F245-M256 HydrophobicContact CZ-SD 4.22Å; L248-M256 HydrophobicContact CD1-CE 3.85Å; I253-M256 HydrophobicContact CG2-CG 3.56Å; I253-M256 HydrophobicContact CG2-SD 4.02Å; M256-G305 CarbonylContact O-C 3.59Å; M256-G305 WeakPolarHBondContact O-CA 3.48Å; M256-V306 HydrophobicContact CB-CG2 4.35Å; M256-V306 PolarHBondContact N-O 3.38Å; M256-V306 PolarHBondContact O-N 3.35Å; M256-A308 HydrophobicContact CG-CB 4.16Å; M256-A308 HydrophobicContact SD-CB 3.78Å
257F80.9Confident72Confident56 Ų5659.6 Ų59.625%0.24633%0.328CS..  trans63.340.2174.4-49.5-81.7000115.3V112 F245 P303 G305 V306V112-F257 HydrophobicContact CG1-CB 3.81Å; V112-F257 HydrophobicContact CG1-CD2 4.27Å; V112-F257 HydrophobicContact CG1-CG 4Å; V112-F257 HydrophobicContact CG2-CD2 4.01Å; V112-F257 HydrophobicContact CG2-CE2 4.25Å; F245-F257 HydrophobicContact CZ-CE2 4.07Å; F245-F257 AromaticContact CZ-CZ 3.99Å; F245-F257 HydrophobicContact CZ-CZ 3.99Å; F257-P303 HydrophobicContact CB-CB 3.57Å; F257-P303 HydrophobicContact CB-CG 3.85Å; F257-P303 HydrophobicContact CG-CB 4.47Å; F257-P303 WeakPolarHBondContact O-CB 3.27Å; F257-P303 WeakPolarHBondContact O-CG 3.44Å; F257-G305 WeakPolarHBondContact O-CA 3.43Å; F257-G305 PolarHBondContact O-N 3.2Å; F257-V306 HydrophobicContact CD2-CG2 3.85Å; F257-V306 HydrophobicContact CE2-CG2 4.46Å
258N68.1Low72.2Confident67 Ų6758.5 Ų58.536%0.35832%0.317SS..SBendtrans-86.7-16-179.4-162.421.7000114.9E255 R262E255-N258 HydrophobicContact CG-CB 4.28Å; E255-N258 WeakPolarHBondContact OE1-CB 3.36Å; E255-N258 PolarHBondContact OE1-ND2 3.39Å; N258-R262 PolarHBondContact O-NH2 3.2Å
259G69Low72.6Confident24 Ų2463.8 Ų63.825%0.24734%0.342CS..SBendtrans-177.6-36.6179.100000115.5F261 R262G259-F261 PolarHBondContact O-N 3.5Å; G259-R262 WeakPolarHBondContact O-CA 3.31Å; G259-R262 VanDerWaalsContact O-CB 3.26Å; G259-R262 WeakPolarHBondContact O-CB 3.43Å; G259-R262 WeakPolarHBondContact O-CG 3.38Å; G259-R262 PolarHBondContact O-N 3.06Å
260E66Low73.4Confident25 Ų2565.1 Ų65.112%0.11734%0.342CS..Hα-helixtrans-49.6-38.9-171.7-57-67.8-165.300115.9C16 I19 S20 Q23 R262 F263 L264C16-E260 HydrophobicContact CB-CB 4.39Å; I19-E260 VanDerWaalsContact C-OE1 3.23Å; I19-E260 WeakPolarHBondContact CB-OE2 3.46Å; I19-E260 VanDerWaalsContact CG2-CD 3.45Å; I19-E260 WeakPolarHBondContact CG2-OE1 3.35Å; I19-E260 WeakPolarHBondContact CG2-OE2 3.45Å; S20-E260 WeakPolarHBondContact CA-OE1 3.39Å; S20-E260 PolarHBondContact N-OE1 3.2Å; Q23-E260 PolarHBondContact OE1-OE1 3.43Å; E260-R262 VanDerWaalsContact C-N 3.25Å; E260-R262 PolarHBondContact O-N 3Å; E260-F263 PolarHBondContact O-N 2.86Å; E260-L264 PolarHBondContact O-N 3.27Å
261F68.2Low74.2Confident27 Ų2763.2 Ų63.212%0.11832%0.315CS..Hα-helixtrans-63.5-33.6178.6-172.3-98.6000111.7G259 C265 C275 V279 L299 P303G259-F261 PolarHBondContact O-N 3.5Å; F261-C265 WeakPolarHBondContact CE1-SG 3.24Å; F261-C265 VanDerWaalsContact CZ-SG 3.56Å; F261-C265 PolarHBondContact O-N 3.43Å; F261-C265 PolarHBondContact O-SG 3.03Å; F261-C275 HydrophobicContact CZ-CB 4.24Å; F261-V279 HydrophobicContact CE1-CG2 4.12Å; F261-V279 HydrophobicContact CZ-CG2 3.7Å; F261-L299 HydrophobicContact CD1-CD2 4.3Å; F261-L299 HydrophobicContact CE1-CD2 4.22Å; F261-P303 HydrophobicContact CB-CG 4Å
262R69.9Low75.1Confident47 Ų4763 Ų6318%0.17731%0.309CS..Hα-helixtrans-66.8-45.4-178.9-54.1177.1-161.6132.120.4111.3N258 G259 E260 C265 R266 L299 P303N258-R262 PolarHBondContact O-NH2 3.2Å; G259-R262 WeakPolarHBondContact O-CA 3.31Å; G259-R262 VanDerWaalsContact O-CB 3.26Å; G259-R262 WeakPolarHBondContact O-CB 3.43Å; G259-R262 WeakPolarHBondContact O-CG 3.38Å; G259-R262 PolarHBondContact O-N 3.06Å; E260-R262 VanDerWaalsContact C-N 3.25Å; E260-R262 PolarHBondContact O-N 3Å; R262-C265 PolarHBondContact O-N 2.98Å; R262-R266 WeakPolarHBondContact O-CG 3.32Å; R262-R266 PolarHBondContact O-N 2.92Å; R262-L299 WeakPolarHBondContact CD-O 3.42Å; R262-L299 WeakPolarHBondContact CG-O 3.41Å; R262-L299 PolarHBondContact NE-O 3.47Å; R262-P303 PolarHBondContact NE-O 3.35Å; R262-P303 PolarHBondContact NH2-O 3.17Å
263F65.7Low75.7Confident128 Ų12865 Ų6556%0.56130%0.302SS*.Hα-helixtrans-58.1-52.6-178.9-178.7-97.1000110.8E260 C265 R266 M267E260-F263 PolarHBondContact O-N 2.86Å; F263-C265 PolarHBondContact O-N 2.82Å; F263-C265 VanDerWaalsContact O-N 3.17Å; F263-R266 PolarHBondContact O-N 2.93Å; F263-M267 HydrophobicContact CE1-SD 4.24Å; F263-M267 WeakPolarHBondContact O-CG 3.5Å
264L68.8Low76Confident22 Ų2266.2 Ų66.212%0.11531%0.308CS..Hα-helixtrans-59-31.7179.4-74171.5000113.8L12 L15 I19 E260 M267 T271L12-L264 HydrophobicContact CD2-CD1 4.41Å; L15-L264 HydrophobicContact CB-CD1 4Å; I19-L264 HydrophobicContact CD1-CD1 3.96Å; I19-L264 HydrophobicContact CD1-CD2 4.04Å; I19-L264 HydrophobicContact CD1-CG 3.95Å; E260-L264 PolarHBondContact O-N 3.27Å; L264-M267 HydrophobicContact CD2-SD 4.48Å; L264-T271 WeakPolarHBondContact O-CB 3.36Å
265C75.1Confident76.1Confident2 Ų261.5 Ų61.51%0.01429%0.29CS..Hα-helixtrans-86.9-9.1-175.8-580000114.4F261 R262 F263 E272 C275 F295 L299F261-C265 WeakPolarHBondContact CE1-SG 3.24Å; F261-C265 VanDerWaalsContact CZ-SG 3.56Å; F261-C265 PolarHBondContact O-N 3.43Å; F261-C265 PolarHBondContact O-SG 3.03Å; R262-C265 PolarHBondContact O-N 2.98Å; F263-C265 PolarHBondContact O-N 2.82Å; F263-C265 VanDerWaalsContact O-N 3.17Å; C265-E272 WeakPolarHBondContact O-CA 3.4Å; C265-C275 WeakPolarHBondContact CA-SG 3.2Å; C265-C275 HydrophobicContact CB-CB 3.59Å; C265-C275 WeakPolarHBondContact CB-SG 3.32Å; C265-C275 WeakPolarHBondContact SG-CB 3.37Å; C265-C275 CovalentContact SG-SG 2.02Å; C265-C275 PolarHBondContact SG-SG 3.17Å; C265-F295 HydrophobicContact CB-CE1 4.37Å; C265-F295 HydrophobicContact CB-CZ 4.43Å; C265-L299 HydrophobicContact CB-CD1 3.59Å; C265-L299 HydrophobicContact CB-CD2 3.99Å; C265-L299 HydrophobicContact CB-CG 4.46Å
266R73.3Confident76.2Confident134 Ų13459.4 Ų59.451%0.50628%0.281SS..Hα-helixtrans-96.8-11.1-179.2-74178.3177.1-172-4.6114R262 F263 T268 L299R262-R266 WeakPolarHBondContact O-CG 3.32Å; R262-R266 PolarHBondContact O-N 2.92Å; F263-R266 PolarHBondContact O-N 2.93Å; R266-T268 PolarHBondContact O-N 3.5Å; R266-L299 HydrophobicContact CG-CD1 4.05Å
267M64.4Low76.4Confident113 Ų11360 Ų6056%0.55728%0.283SS*.SBendtrans-68.3-40.7-166.5-60.1-177.370.300114.7F263 L264 T271F263-M267 HydrophobicContact CE1-SD 4.24Å; F263-M267 WeakPolarHBondContact O-CG 3.5Å; L264-M267 HydrophobicContact CD2-SD 4.48Å; M267-T271 HydrophobicContact CB-CG2 4.35Å
268T76.1Confident76.4Confident63 Ų6357.7 Ų57.739%0.38727%0.274SS..  trans-154.6163.2-177.182.50000110.8R266 E270 T271 E272R266-T268 PolarHBondContact O-N 3.5Å; T268-E270 WeakPolarHBondContact CB-OE2 3.4Å; T268-E270 PolarHBondContact O-N 2.63Å; T268-E270 PolarHBondContact OG1-N 3.22Å; T268-E270 PolarHBondContact OG1-OE2 3.39Å; T268-T271 PolarHBondContact N-OG1 3.34Å; T268-T271 PolarHBondContact O-N 3.47Å; T268-T271 PolarHBondContact O-OG1 2.99Å; T268-T271 PolarHBondContact OG1-N 2.94Å; T268-T271 PolarHBondContact OG1-OG1 2.99Å; T268-E272 WeakPolarHBondContact O-CB 3.32Å; T268-E272 PolarHBondContact O-N 3.01Å
269E81.4Confident77.1Confident124 Ų12455.7 Ų55.758%0.57927%0.265SS*.Hα-helixtrans-59.9-33.9173.9-165.9-177.5179.300112.2E272 R273 R292E269-E272 WeakPolarHBondContact O-CB 3.48Å; E269-R273 WeakPolarHBondContact O-CB 3.39Å; E269-R273 PolarHBondContact O-N 2.75Å; E269-R292 IonicContact OE1-CZ 2.75Å; E269-R292 IonicContact OE1-NH1 3.66Å; E269-R292 PolarHBondContact OE1-NH1 3.09Å; E269-R292 IonicContact OE1-NH2 3.87Å; E269-R292 PolarHBondContact OE1-NH2 3.3Å
270E82.1Confident77.8Confident117 Ų11755 Ų5555%0.54725%0.254SS..Hα-helixtrans-67.9-43.4175.6-61.677.8-171.100112.4T268 E272 R273 L274T268-E270 WeakPolarHBondContact CB-OE2 3.4Å; T268-E270 PolarHBondContact O-N 2.63Å; T268-E270 PolarHBondContact OG1-N 3.22Å; T268-E270 PolarHBondContact OG1-OE2 3.39Å; E270-E272 VanDerWaalsContact C-N 3.35Å; E270-R273 PolarHBondContact O-N 3.45Å; E270-L274 WeakPolarHBondContact O-CB 3.37Å; E270-L274 VanDerWaalsContact O-CG 3.24Å; E270-L274 WeakPolarHBondContact O-CG 3.45Å; E270-L274 PolarHBondContact O-N 3.46Å
271T81.9Confident78.6Confident38 Ų3854 Ų5423%0.23325%0.251CS..Hα-helixtrans-67.2-38.8177.658.70000111L264 M267 T268 R273 L274 C275L264-T271 WeakPolarHBondContact O-CB 3.36Å; M267-T271 HydrophobicContact CB-CG2 4.35Å; T268-T271 PolarHBondContact N-OG1 3.34Å; T268-T271 PolarHBondContact O-N 3.47Å; T268-T271 PolarHBondContact O-OG1 2.99Å; T268-T271 PolarHBondContact OG1-N 2.94Å; T268-T271 PolarHBondContact OG1-OG1 2.99Å; T271-R273 PolarHBondContact O-N 3.43Å; T271-L274 PolarHBondContact O-N 2.88Å; T271-C275 WeakPolarHBondContact O-CB 3.41Å; T271-C275 PolarHBondContact O-N 2.9Å
272E85.6Confident79.2Confident36 Ų3654.5 Ų54.517%0.16826%0.255CS..Hα-helixtrans-53.5-55.3170-171.6-161.883.700110.6C265 T268 E269 E270 L274 C275 I276 R292 F295C265-E272 WeakPolarHBondContact O-CA 3.4Å; T268-E272 WeakPolarHBondContact O-CB 3.32Å; T268-E272 PolarHBondContact O-N 3.01Å; E269-E272 WeakPolarHBondContact O-CB 3.48Å; E270-E272 VanDerWaalsContact C-N 3.35Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 3.37Å; E272-C275 WeakPolarHBondContact O-CB 3.37Å; E272-C275 PolarHBondContact O-N 3.43Å; E272-C275 VanDerWaalsContact O-N 3.15Å; E272-I276 HydrophobicContact CG-CD1 3.93Å; E272-I276 WeakPolarHBondContact O-CG1 3.37Å; E272-I276 PolarHBondContact O-N 3.45Å; E272-R292 IonicContact OE1-CZ 3.55Å; E272-R292 IonicContact OE1-NE 2.82Å; E272-R292 PolarHBondContact OE1-NE 3.03Å; E272-R292 IonicContact OE1-NH2 2.74Å; E272-R292 PolarHBondContact OE1-NH2 2.75Å; E272-F295 HydrophobicContact CB-CE1 4.49Å; E272-F295 HydrophobicContact CG-CD1 3.36Å; E272-F295 HydrophobicContact CG-CE1 3.43Å; E272-F295 VanDerWaalsContact CG-CE1 3.43Å
273R86Confident80.1Confident145 Ų14552.4 Ų52.455%0.54725%0.247SC..Hα-helixtrans-61.3-40.5-178.9-171.3-179.969.2166.3-2.8112E269 E270 T271 C275 I276 E277 W287E269-R273 WeakPolarHBondContact O-CB 3.39Å; E269-R273 PolarHBondContact O-N 2.75Å; E270-R273 PolarHBondContact O-N 3.45Å; T271-R273 PolarHBondContact O-N 3.43Å; R273-C275 VanDerWaalsContact C-N 3.34Å; R273-I276 PolarHBondContact O-N 2.89Å; R273-E277 WeakPolarHBondContact O-CB 3.32Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 2.75Å; R273-W287 HydrophobicContact CG-CH2 4.09Å; R273-W287 HydrophobicContact CG-CZ2 4.04Å
274L84.9Confident81.2Confident58 Ų5846.3 Ų46.330%0.30422%0.221SC..Hα-helixtrans-64.6-39.6176.6-74.5171.8000111.8Q8 E270 T271 E272 E277 A278Q8-L274 HydrophobicContact CG-CD2 4.44Å; Q8-L274 VanDerWaalsContact NE2-CD2 3.32Å; E270-L274 WeakPolarHBondContact O-CB 3.37Å; E270-L274 VanDerWaalsContact O-CG 3.24Å; E270-L274 WeakPolarHBondContact O-CG 3.45Å; E270-L274 PolarHBondContact O-N 3.46Å; T271-L274 PolarHBondContact O-N 2.88Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 3.37Å; L274-E277 PolarHBondContact O-N 3.29Å; L274-A278 VanDerWaalsContact O-CB 3.31Å; L274-A278 WeakPolarHBondContact O-CB 3.29Å; L274-A278 PolarHBondContact O-N 3.39Å
275C84.6Confident82.3Confident1 Ų150.9 Ų50.91%0.00724%0.236CC..Hα-helixtrans-63.3-46.8174.2-85.10000112.5F261 C265 T271 E272 R273 E277 A278 V279 F295F261-C275 HydrophobicContact CZ-CB 4.24Å; C265-C275 WeakPolarHBondContact CA-SG 3.2Å; C265-C275 HydrophobicContact CB-CB 3.59Å; C265-C275 WeakPolarHBondContact CB-SG 3.32Å; C265-C275 WeakPolarHBondContact SG-CB 3.37Å; C265-C275 CovalentContact SG-SG 2.02Å; C265-C275 PolarHBondContact SG-SG 3.17Å; T271-C275 WeakPolarHBondContact O-CB 3.41Å; T271-C275 PolarHBondContact O-N 2.9Å; E272-C275 WeakPolarHBondContact O-CB 3.37Å; E272-C275 PolarHBondContact O-N 3.43Å; E272-C275 VanDerWaalsContact O-N 3.15Å; R273-C275 VanDerWaalsContact C-N 3.34Å; C275-E277 VanDerWaalsContact C-N 3.31Å; C275-E277 PolarHBondContact O-N 2.87Å; C275-A278 WeakPolarHBondContact O-CB 3.13Å; C275-A278 PolarHBondContact O-N 3.18Å; C275-A278 VanDerWaalsContact O-N 3.16Å; C275-V279 WeakPolarHBondContact O-CG2 3.23Å; C275-V279 PolarHBondContact O-N 3Å; C275-F295 HydrophobicContact CB-CZ 4.36Å
276I86.2Confident83.2Confident2 Ų251 Ų511%0.0124%0.237CC..Hα-helixtrans-60.6-44.4177-64.4162000110E272 R273 A278 V279 F280 W287 F290 F295E272-I276 HydrophobicContact CG-CD1 3.93Å; E272-I276 WeakPolarHBondContact O-CG1 3.37Å; E272-I276 PolarHBondContact O-N 3.45Å; R273-I276 PolarHBondContact O-N 2.89Å; I276-A278 VanDerWaalsContact C-N 3.32Å; I276-A278 PolarHBondContact O-N 2.99Å; I276-V279 PolarHBondContact O-N 3.3Å; I276-F280 HydrophobicContact CG2-CD2 3.86Å; I276-F280 HydrophobicContact CG2-CE1 4.29Å; I276-F280 HydrophobicContact CG2-CE2 3.51Å; I276-F280 HydrophobicContact CG2-CG 4.41Å; I276-F280 HydrophobicContact CG2-CZ 3.74Å; I276-F280 WeakPolarHBondContact O-CB 3.26Å; I276-F280 WeakPolarHBondContact O-CG 3.01Å; I276-F280 PolarHBondContact O-N 2.93Å; I276-W287 HydrophobicContact CB-CH2 3.76Å; I276-W287 HydrophobicContact CB-CZ2 4.18Å; I276-W287 HydrophobicContact CB-CZ3 4.48Å; I276-W287 HydrophobicContact CD1-CH2 3.75Å; I276-W287 HydrophobicContact CD1-CZ3 3.99Å; I276-W287 HydrophobicContact CG1-CH2 4.37Å; I276-W287 HydrophobicContact CG2-CE3 4.47Å; I276-W287 HydrophobicContact CG2-CH2 3.42Å; I276-W287 VanDerWaalsContact CG2-CH2 3.42Å; I276-W287 HydrophobicContact CG2-CZ2 3.73Å; I276-W287 HydrophobicContact CG2-CZ3 3.83Å; I276-F290 HydrophobicContact CD1-CD1 4.38Å; I276-F290 HydrophobicContact CD1-CE1 3.55Å; I276-F290 HydrophobicContact CD1-CZ 4.16Å; I276-F290 HydrophobicContact CG1-CE1 3.83Å; I276-F290 HydrophobicContact CG1-CZ 3.95Å; I276-F290 HydrophobicContact CG2-CD1 4.19Å; I276-F290 HydrophobicContact CG2-CE1 3.99Å; I276-F290 HydrophobicContact CG2-CZ 4.21Å; I276-F295 HydrophobicContact CD1-CD1 3.94Å; I276-F295 HydrophobicContact CD1-CE1 3.99Å; I276-F295 HydrophobicContact CD1-CG 4.26Å; I276-F295 HydrophobicContact CD1-CZ 4.35Å; I276-F295 HydrophobicContact CG1-CD1 4.08Å; I276-F295 HydrophobicContact CG1-CD2 4.3Å; I276-F295 HydrophobicContact CG1-CE1 3.69Å; I276-F295 HydrophobicContact CG1-CE2 3.92Å; I276-F295 HydrophobicContact CG1-CG 4.34Å; I276-F295 HydrophobicContact CG1-CZ 3.58Å
277E85.9Confident84Confident31 Ų3148.2 Ų48.215%0.14523%0.226CC..Hα-helixtrans-63.5-35.3175.8-77.2-68.617500113.2L5 R273 L274 C275 F280 G281 R285 W287L5-E277 HydrophobicContact CD2-CB 4.14Å; R273-E277 WeakPolarHBondContact O-CB 3.32Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 2.75Å; L274-E277 PolarHBondContact O-N 3.29Å; C275-E277 VanDerWaalsContact C-N 3.31Å; C275-E277 PolarHBondContact O-N 2.87Å; E277-F280 PolarHBondContact O-N 3.36Å; E277-G281 PolarHBondContact O-N 3.05Å; E277-R285 IonicContact OE1-CZ 2.81Å; E277-R285 IonicContact OE1-NE 3.83Å; E277-R285 IonicContact OE1-NH2 3.33Å; E277-R285 IonicContact OE2-CZ 2.7Å; E277-R285 IonicContact OE2-NE 2.66Å; E277-R285 PolarHBondContact OE2-NE 2.94Å; E277-R285 IonicContact OE2-NH2 2.76Å; E277-R285 PolarHBondContact OE2-NH2 3.05Å; E277-W287 HydrophobicContact CG-CZ2 4.14Å; E277-W287 PolarHBondContact OE1-NE1 3.09Å
278A80.4Confident85.4Confident7 Ų749.1 Ų49.16%0.05823%0.233CC..Hα-helixtrans-65.4-43.9174.400000111.5L9 L12 L274 C275 I276 G281L9-A278 HydrophobicContact CD1-CB 3.68Å; L12-A278 HydrophobicContact CD1-CB 3.52Å; L274-A278 VanDerWaalsContact O-CB 3.31Å; L274-A278 WeakPolarHBondContact O-CB 3.29Å; L274-A278 PolarHBondContact O-N 3.39Å; C275-A278 WeakPolarHBondContact O-CB 3.13Å; C275-A278 PolarHBondContact O-N 3.18Å; C275-A278 VanDerWaalsContact O-N 3.16Å; I276-A278 VanDerWaalsContact C-N 3.32Å; I276-A278 PolarHBondContact O-N 2.99Å; A278-G281 PolarHBondContact O-N 2.81Å
279V83Confident86.3Confident26 Ų2646.7 Ų46.716%0.15822%0.218CC..Hα-helixtrans-62.5-46.8173174.90000110.3F261 C275 I276 G281 I282 V283F261-V279 HydrophobicContact CE1-CG2 4.12Å; F261-V279 HydrophobicContact CZ-CG2 3.7Å; C275-V279 WeakPolarHBondContact O-CG2 3.23Å; C275-V279 PolarHBondContact O-N 3Å; I276-V279 PolarHBondContact O-N 3.3Å; V279-G281 PolarHBondContact O-N 3.01Å; V279-I282 WeakPolarHBondContact O-CG1 3.49Å; V279-I282 PolarHBondContact O-N 3.47Å; V279-V283 HydrophobicContact CG1-CG1 4.11Å; V279-V283 HydrophobicContact CG1-CG2 3.93Å; V279-V283 WeakPolarHBondContact O-CG2 3.41Å; V279-V283 PolarHBondContact O-N 2.9Å
280F85.3Confident86.8Confident8 Ų842 Ų424%0.03520%0.195CC..Hα-helixtrans-59.6-28.1175.1-75.3-16.7000114I276 E277 I282 V283 G284 R285 W287 F290I276-F280 HydrophobicContact CG2-CD2 3.86Å; I276-F280 HydrophobicContact CG2-CE1 4.29Å; I276-F280 HydrophobicContact CG2-CE2 3.51Å; I276-F280 HydrophobicContact CG2-CG 4.41Å; I276-F280 HydrophobicContact CG2-CZ 3.74Å; I276-F280 WeakPolarHBondContact O-CB 3.26Å; I276-F280 WeakPolarHBondContact O-CG 3.01Å; I276-F280 PolarHBondContact O-N 2.93Å; E277-F280 PolarHBondContact O-N 3.36Å; F280-I282 PolarHBondContact O-N 2.91Å; F280-V283 HydrophobicContact CD1-CG2 4.18Å; F280-G284 VanDerWaalsContact CD1-O 3.29Å; F280-G284 WeakPolarHBondContact CD1-O 3.39Å; F280-G284 CarbonylContact O-C 3.45Å; F280-G284 WeakPolarHBondContact O-CA 3.46Å; F280-G284 PolarHBondContact O-N 2.84Å; F280-G284 VanDerWaalsContact O-N 3.09Å; F280-R285 HydrophobicContact CB-CB 4.01Å; F280-R285 HydrophobicContact CB-CG 4.31Å; F280-R285 HydrophobicContact CD2-CB 4.29Å; F280-R285 HydrophobicContact CD2-CG 3.76Å; F280-R285 HydrophobicContact CE2-CG 4.32Å; F280-R285 HydrophobicContact CG-CB 4.24Å; F280-R285 HydrophobicContact CG-CG 4.22Å; F280-W287 AromaticContact CD2-NE1 3.9Å; F280-W287 AromaticContact CE2-CD1 3.8Å; F280-W287 AromaticContact CE2-CD2 3.64Å; F280-W287 HydrophobicContact CE2-CD2 3.64Å; F280-W287 AromaticContact CE2-CE2 3.62Å; F280-W287 HydrophobicContact CE2-CE3 4.2Å; F280-W287 AromaticContact CE2-CG 3.78Å; F280-W287 HydrophobicContact CE2-CG 3.78Å; F280-W287 HydrophobicContact CE2-CZ2 4.18Å; F280-W287 AromaticContact CE2-NE1 3.69Å; F280-W287 HydrophobicContact CZ-CD2 4.46Å; F280-F290 HydrophobicContact CE1-CB 4.44Å; F280-F290 HydrophobicContact CE1-CD2 4.16Å; F280-F290 HydrophobicContact CE1-CG 4.41Å; F280-F290 HydrophobicContact CZ-CB 3.76Å; F280-F290 HydrophobicContact CZ-CD2 4.1Å; F280-F290 AromaticContact CZ-CG 3.89Å; F280-F290 HydrophobicContact CZ-CG 3.89Å
281G81.8Confident87.2Confident5 Ų538.8 Ų38.85%0.05218%0.182CC..Hα-helixtrans-61.1-22.7172.300000113.8H235 Y237 E277 A278 V279H235-G281 PolarHBondContact CE1-O 2.82Å; Y237-G281 WeakPolarHBondContact CB-O 3.45Å; Y237-G281 WeakPolarHBondContact CD2-O 3.25Å; E277-G281 PolarHBondContact O-N 3.05Å; A278-G281 PolarHBondContact O-N 2.81Å; V279-G281 PolarHBondContact O-N 3.01Å
282I81.4Confident87.5Confident38 Ų3841.4 Ų41.420%0.19519%0.188CC..Hα-helixtrans-113.3-31.5-176.760.6166000113.4L9 I241 V279 F280 L363 L364L9-I282 HydrophobicContact CD2-CG2 3.95Å; I241-I282 HydrophobicContact CD1-CB 4.36Å; I241-I282 HydrophobicContact CD1-CG2 3.27Å; V279-I282 WeakPolarHBondContact O-CG1 3.49Å; V279-I282 PolarHBondContact O-N 3.47Å; F280-I282 PolarHBondContact O-N 2.91Å; I282-L363 WeakPolarHBondContact O-CB 3.44Å; I282-L364 WeakPolarHBondContact O-CG 3.42Å
283V88.2Confident87.7Confident3 Ų345.1 Ų45.12%0.01820%0.203CC..Hα-helixtrans-97.9-19.3-177.2-53.70000113.5V279 F280 L364 N392 H393 M394V279-V283 HydrophobicContact CG1-CG1 4.11Å; V279-V283 HydrophobicContact CG1-CG2 3.93Å; V279-V283 WeakPolarHBondContact O-CG2 3.41Å; V279-V283 PolarHBondContact O-N 2.9Å; F280-V283 HydrophobicContact CD1-CG2 4.18Å; V283-L364 HydrophobicContact CG1-CD1 4.4Å; V283-N392 WeakPolarHBondContact O-CB 3.34Å; V283-H393 HydrophobicContact CB-CB 3.91Å; V283-H393 WeakPolarHBondContact O-CB 3.32Å; V283-H393 PolarHBondContact O-N 2.58Å; V283-M394 HydrophobicContact CB-CG 3.89Å; V283-M394 HydrophobicContact CG1-CG 3.7Å; V283-M394 HydrophobicContact CG1-SD 4.3Å; V283-M394 HydrophobicContact CG2-CG 3.96Å
284G89.1Confident87.9Confident0 Ų039.5 Ų39.50%018%0.183CC..  trans109.1137.1-170.800000111.4F280 N361 N392F280-G284 VanDerWaalsContact CD1-O 3.29Å; F280-G284 WeakPolarHBondContact CD1-O 3.39Å; F280-G284 CarbonylContact O-C 3.45Å; F280-G284 WeakPolarHBondContact O-CA 3.46Å; F280-G284 PolarHBondContact O-N 2.84Å; F280-G284 VanDerWaalsContact O-N 3.09Å; G284-N361 WeakPolarHBondContact CA-O 3.47Å; G284-N392 WeakPolarHBondContact O-CB 2.86Å; G284-N392 PolarHBondContact O-ND2 3.27Å
285R91.2Very high88.1Confident117 Ų11737.1 Ų37.144%0.44217%0.171SC..  trans-81.6123.6-178.1-177.7-179.3-72.91670.5110.9E277 F280 N361E277-R285 IonicContact OE1-CZ 2.81Å; E277-R285 IonicContact OE1-NE 3.83Å; E277-R285 IonicContact OE1-NH2 3.33Å; E277-R285 IonicContact OE2-CZ 2.7Å; E277-R285 IonicContact OE2-NE 2.66Å; E277-R285 PolarHBondContact OE2-NE 2.94Å; E277-R285 IonicContact OE2-NH2 2.76Å; E277-R285 PolarHBondContact OE2-NH2 3.05Å; F280-R285 HydrophobicContact CB-CB 4.01Å; F280-R285 HydrophobicContact CB-CG 4.31Å; F280-R285 HydrophobicContact CD2-CB 4.29Å; F280-R285 HydrophobicContact CD2-CG 3.76Å; F280-R285 HydrophobicContact CE2-CG 4.32Å; F280-R285 HydrophobicContact CG-CB 4.24Å; F280-R285 HydrophobicContact CG-CG 4.22Å; R285-N361 PolarHBondContact O-ND2 3.11Å
286N93.7Very high88.3Confident4 Ų439.2 Ų39.22%0.02118%0.184CC..  trans-15081171-166.5-1.1000112.1N288 E289 F290 Q388 E390 N392 D395N286-N288 PolarHBondContact O-N 3.05Å; N286-N288 PolarHBondContact OD1-N 3.21Å; N286-E289 WeakPolarHBondContact ND2-CB 3.4Å; N286-E289 WeakPolarHBondContact ND2-CG 3.44Å; N286-E289 PolarHBondContact OD1-N 3.05Å; N286-F290 WeakPolarHBondContact O-CB 3.16Å; N286-F290 PolarHBondContact O-N 3.35Å; N286-Q388 PolarHBondContact ND2-OE1 2.8Å; N286-E390 HydrophobicContact CB-CB 4.4Å; N286-E390 WeakPolarHBondContact CB-O 3.3Å; N286-E390 PolarHBondContact ND2-O 3.09Å; N286-N392 WeakPolarHBondContact CB-ND2 3.44Å; N286-D395 WeakPolarHBondContact CB-OD2 3.48Å; N286-D395 PolarHBondContact ND2-OD2 3.4Å
287W91.4Very high88.6Confident77 Ų7739.1 Ų39.129%0.29218%0.184SC..THydrogen-bonded Turntrans-65.4-26178.1-82.3107.4000113.6R273 I276 E277 F280 E289 F290 R292R273-W287 HydrophobicContact CG-CH2 4.09Å; R273-W287 HydrophobicContact CG-CZ2 4.04Å; I276-W287 HydrophobicContact CB-CH2 3.76Å; I276-W287 HydrophobicContact CB-CZ2 4.18Å; I276-W287 HydrophobicContact CB-CZ3 4.48Å; I276-W287 HydrophobicContact CD1-CH2 3.75Å; I276-W287 HydrophobicContact CD1-CZ3 3.99Å; I276-W287 HydrophobicContact CG1-CH2 4.37Å; I276-W287 HydrophobicContact CG2-CE3 4.47Å; I276-W287 HydrophobicContact CG2-CH2 3.42Å; I276-W287 VanDerWaalsContact CG2-CH2 3.42Å; I276-W287 HydrophobicContact CG2-CZ2 3.73Å; I276-W287 HydrophobicContact CG2-CZ3 3.83Å; E277-W287 HydrophobicContact CG-CZ2 4.14Å; E277-W287 PolarHBondContact OE1-NE1 3.09Å; F280-W287 AromaticContact CD2-NE1 3.9Å; F280-W287 AromaticContact CE2-CD1 3.8Å; F280-W287 AromaticContact CE2-CD2 3.64Å; F280-W287 HydrophobicContact CE2-CD2 3.64Å; F280-W287 AromaticContact CE2-CE2 3.62Å; F280-W287 HydrophobicContact CE2-CE3 4.2Å; F280-W287 AromaticContact CE2-CG 3.78Å; F280-W287 HydrophobicContact CE2-CG 3.78Å; F280-W287 HydrophobicContact CE2-CZ2 4.18Å; F280-W287 AromaticContact CE2-NE1 3.69Å; F280-W287 HydrophobicContact CZ-CD2 4.46Å; W287-E289 VanDerWaalsContact C-N 3.34Å; W287-F290 HydrophobicContact CE3-CD1 4.45Å; W287-F290 HydrophobicContact CZ3-CD1 4.25Å; W287-F290 PolarHBondContact O-N 2.78Å; W287-R292 HydrophobicContact CE3-CG 4.41Å; W287-R292 HydrophobicContact CZ3-CG 3.83Å
288N94Very high88.8Confident131 Ų13137.9 Ų37.970%0.70118%0.178SC*.THydrogen-bonded Turntrans-71.6-30.9-175.5-67.8-19.1000112.5N286N286-N288 PolarHBondContact O-N 3.05Å; N286-N288 PolarHBondContact OD1-N 3.21Å
289E94Very high89.2Confident13 Ų1337.8 Ų37.86%0.06118%0.176CC..THydrogen-bonded Turntrans-98.2-7.1178.2-66.9-58.8146.800113.2N286 W287 N291 Q388 A399 I400 D401 M405N286-E289 WeakPolarHBondContact ND2-CB 3.4Å; N286-E289 WeakPolarHBondContact ND2-CG 3.44Å; N286-E289 PolarHBondContact OD1-N 3.05Å; W287-E289 VanDerWaalsContact C-N 3.34Å; E289-N291 PolarHBondContact O-N 3.41Å; E289-Q388 PolarHBondContact OE1-NE2 2.97Å; E289-A399 HydrophobicContact CB-CB 3.71Å; E289-A399 HydrophobicContact CG-CB 4.23Å; E289-A399 CarbonylContact O-C 3.09Å; E289-A399 VanDerWaalsContact O-CA 3.32Å; E289-A399 WeakPolarHBondContact O-CA 3.41Å; E289-I400 WeakPolarHBondContact O-CG1 3.32Å; E289-I400 PolarHBondContact O-N 3.41Å; E289-D401 WeakPolarHBondContact OE2-CB 3.48Å; E289-D401 PolarHBondContact OE2-N 3.27Å; E289-M405 HydrophobicContact CG-CE 3.9Å; E289-M405 VanDerWaalsContact OE2-CE 3.23Å; E289-M405 WeakPolarHBondContact OE2-CE 3.42Å
290F92.4Very high89.5Confident24 Ų2436.9 Ų36.911%0.10517%0.173CC..BIsolated β-bridgetrans-85.9111.9-177.7-172.8-96.5000111.7I276 F280 N286 W287 R292 F295 I298I276-F290 HydrophobicContact CD1-CD1 4.38Å; I276-F290 HydrophobicContact CD1-CE1 3.55Å; I276-F290 HydrophobicContact CD1-CZ 4.16Å; I276-F290 HydrophobicContact CG1-CE1 3.83Å; I276-F290 HydrophobicContact CG1-CZ 3.95Å; I276-F290 HydrophobicContact CG2-CD1 4.19Å; I276-F290 HydrophobicContact CG2-CE1 3.99Å; I276-F290 HydrophobicContact CG2-CZ 4.21Å; F280-F290 HydrophobicContact CE1-CB 4.44Å; F280-F290 HydrophobicContact CE1-CD2 4.16Å; F280-F290 HydrophobicContact CE1-CG 4.41Å; F280-F290 HydrophobicContact CZ-CB 3.76Å; F280-F290 HydrophobicContact CZ-CD2 4.1Å; F280-F290 AromaticContact CZ-CG 3.89Å; F280-F290 HydrophobicContact CZ-CG 3.89Å; N286-F290 WeakPolarHBondContact O-CB 3.16Å; N286-F290 PolarHBondContact O-N 3.35Å; W287-F290 HydrophobicContact CE3-CD1 4.45Å; W287-F290 HydrophobicContact CZ3-CD1 4.25Å; W287-F290 PolarHBondContact O-N 2.78Å; F290-R292 HydrophobicContact CD1-CG 4.03Å; F290-R292 HydrophobicContact CE1-CG 4.28Å; F290-R292 PolarHBondContact O-N 3.49Å; F290-F295 HydrophobicContact CE1-CB 4.18Å; F290-F295 HydrophobicContact CE1-CD2 4.21Å; F290-F295 HydrophobicContact CE1-CG 4.27Å; F290-F295 HydrophobicContact CE2-CD2 4.43Å; F290-F295 HydrophobicContact CZ-CB 4.13Å; F290-F295 AromaticContact CZ-CD2 3.46Å; F290-F295 HydrophobicContact CZ-CD2 3.46Å; F290-F295 VanDerWaalsContact CZ-CD2 3.46Å; F290-F295 HydrophobicContact CZ-CE2 4.02Å; F290-F295 AromaticContact CZ-CG 3.97Å; F290-F295 HydrophobicContact CZ-CG 3.97Å; F290-I298 HydrophobicContact CE2-CD1 4.47Å
291N89.8Confident89.9Confident50 Ų5036.8 Ų36.827%0.26717%0.172SC..  trans-77.692.3177.3-168.8-19000111.3M121 E289 K293 M294 F295 I400M121-N291 HydrophobicContact CE-CB 4.05Å; E289-N291 PolarHBondContact O-N 3.41Å; N291-K293 PolarHBondContact O-N 2.57Å; N291-K293 WeakPolarHBondContact OD1-CB 3.32Å; N291-K293 PolarHBondContact OD1-N 3.09Å; N291-M294 HydrophobicContact CB-CB 4.22Å; N291-M294 HydrophobicContact CB-CG 4.19Å; N291-M294 WeakPolarHBondContact ND2-CG 3.39Å; N291-M294 PolarHBondContact O-N 2.63Å; N291-F295 PolarHBondContact O-N 3.49Å; N291-I400 HydrophobicContact CB-CD1 4.26Å; N291-I400 HydrophobicContact CB-CG1 3.78Å
292R89.6Confident90.2Very high94 Ų9438 Ų3836%0.35518%0.176SC..G310 helixtrans-53.3-37.9177.7-71.1-173.871-161.5-0.1113.3E269 E272 W287 F290 M294 F295E269-R292 IonicContact OE1-CZ 2.75Å; E269-R292 IonicContact OE1-NH1 3.66Å; E269-R292 PolarHBondContact OE1-NH1 3.09Å; E269-R292 IonicContact OE1-NH2 3.87Å; E269-R292 PolarHBondContact OE1-NH2 3.3Å; E272-R292 IonicContact OE1-CZ 3.55Å; E272-R292 IonicContact OE1-NE 2.82Å; E272-R292 PolarHBondContact OE1-NE 3.03Å; E272-R292 IonicContact OE1-NH2 2.74Å; E272-R292 PolarHBondContact OE1-NH2 2.75Å; W287-R292 HydrophobicContact CE3-CG 4.41Å; W287-R292 HydrophobicContact CZ3-CG 3.83Å; F290-R292 HydrophobicContact CD1-CG 4.03Å; F290-R292 HydrophobicContact CE1-CG 4.28Å; F290-R292 PolarHBondContact O-N 3.49Å; R292-M294 PolarHBondContact O-N 3.47Å; R292-F295 WeakPolarHBondContact O-CB 3.36Å; R292-F295 PolarHBondContact O-N 3.28Å
293K88.3Confident90.7Very high114 Ų11436.3 Ų36.350%0.49617%0.167SC..G310 helixtrans-63.3-26.1178.9-68.3-170.4168.9-165.40113I60 N291I60-K293 HydrophobicContact CD1-CB 4.5Å; I60-K293 WeakPolarHBondContact CD1-O 3.46Å; N291-K293 PolarHBondContact O-N 2.57Å; N291-K293 WeakPolarHBondContact OD1-CB 3.32Å; N291-K293 PolarHBondContact OD1-N 3.09Å
294M90.7Very high90.8Very high26 Ų2636.2 Ų36.213%0.12817%0.166CC..G310 helixtrans-89.3-4.5177-65.3-58.1-64.600112.8V120 M121 N291 R292 V297 I298V120-M294 WeakPolarHBondContact O-CE 3.39Å; M121-M294 HydrophobicContact CE-CB 3.95Å; M121-M294 HydrophobicContact CE-CG 3.84Å; M121-M294 HydrophobicContact SD-CB 4.15Å; M121-M294 HydrophobicContact SD-CG 4.43Å; N291-M294 HydrophobicContact CB-CB 4.22Å; N291-M294 HydrophobicContact CB-CG 4.19Å; N291-M294 WeakPolarHBondContact ND2-CG 3.39Å; N291-M294 PolarHBondContact O-N 2.63Å; R292-M294 PolarHBondContact O-N 3.47Å; M294-V297 HydrophobicContact CE-CB 4.04Å; M294-V297 HydrophobicContact CE-CG1 4.21Å; M294-V297 HydrophobicContact CE-CG2 3.87Å; M294-V297 WeakPolarHBondContact O-CB 3.5Å; M294-V297 PolarHBondContact O-N 2.92Å; M294-V297 VanDerWaalsContact O-N 3.1Å; M294-V297 HydrophobicContact SD-CG2 4.46Å; M294-I298 WeakPolarHBondContact O-CG1 3.49Å; M294-I298 PolarHBondContact O-N 3.36Å
295F89.4Confident90.9Very high9 Ų936.2 Ų36.24%0.03917%0.166CC..Hα-helixtrans-61.1-38.9-177.5-171.8-127000113.9C265 E272 C275 I276 F290 N291 R292 V297 I298 L299C265-F295 HydrophobicContact CB-CE1 4.37Å; C265-F295 HydrophobicContact CB-CZ 4.43Å; E272-F295 HydrophobicContact CB-CE1 4.49Å; E272-F295 HydrophobicContact CG-CD1 3.36Å; E272-F295 HydrophobicContact CG-CE1 3.43Å; E272-F295 VanDerWaalsContact CG-CE1 3.43Å; C275-F295 HydrophobicContact CB-CZ 4.36Å; I276-F295 HydrophobicContact CD1-CD1 3.94Å; I276-F295 HydrophobicContact CD1-CE1 3.99Å; I276-F295 HydrophobicContact CD1-CG 4.26Å; I276-F295 HydrophobicContact CD1-CZ 4.35Å; I276-F295 HydrophobicContact CG1-CD1 4.08Å; I276-F295 HydrophobicContact CG1-CD2 4.3Å; I276-F295 HydrophobicContact CG1-CE1 3.69Å; I276-F295 HydrophobicContact CG1-CE2 3.92Å; I276-F295 HydrophobicContact CG1-CG 4.34Å; I276-F295 HydrophobicContact CG1-CZ 3.58Å; F290-F295 HydrophobicContact CE1-CB 4.18Å; F290-F295 HydrophobicContact CE1-CD2 4.21Å; F290-F295 HydrophobicContact CE1-CG 4.27Å; F290-F295 HydrophobicContact CE2-CD2 4.43Å; F290-F295 HydrophobicContact CZ-CB 4.13Å; F290-F295 AromaticContact CZ-CD2 3.46Å; F290-F295 HydrophobicContact CZ-CD2 3.46Å; F290-F295 VanDerWaalsContact CZ-CD2 3.46Å; F290-F295 HydrophobicContact CZ-CE2 4.02Å; F290-F295 AromaticContact CZ-CG 3.97Å; F290-F295 HydrophobicContact CZ-CG 3.97Å; N291-F295 PolarHBondContact O-N 3.49Å; R292-F295 WeakPolarHBondContact O-CB 3.36Å; R292-F295 PolarHBondContact O-N 3.28Å; F295-V297 VanDerWaalsContact C-N 3.28Å; F295-V297 PolarHBondContact O-N 2.78Å; F295-I298 HydrophobicContact CD2-CB 4.44Å; F295-I298 PolarHBondContact O-N 3.24Å; F295-L299 HydrophobicContact CD1-CD1 3.89Å; F295-L299 HydrophobicContact CD1-CG 4.27Å; F295-L299 HydrophobicContact CD2-CG 4.15Å; F295-L299 HydrophobicContact CE1-CD1 3.52Å; F295-L299 HydrophobicContact CE1-CD2 4.35Å; F295-L299 HydrophobicContact CE1-CG 3.97Å; F295-L299 HydrophobicContact CE2-CD1 4.35Å; F295-L299 HydrophobicContact CE2-CD2 3.9Å; F295-L299 HydrophobicContact CE2-CG 3.87Å; F295-L299 HydrophobicContact CG-CD1 4.47Å; F295-L299 HydrophobicContact CG-CG 4.4Å; F295-L299 HydrophobicContact CZ-CD1 3.8Å; F295-L299 HydrophobicContact CZ-CD2 3.74Å; F295-L299 HydrophobicContact CZ-CG 3.78Å; F295-L299 WeakPolarHBondContact O-CG 3.27Å; F295-L299 PolarHBondContact O-N 3.31Å
296P88.5Confident91Very high45 Ų4530.9 Ų30.929%0.29215%0.147SC..Hα-helixtrans-59.6-38.3173-25.535.5000113.1I60 S64 L299 G300I60-P296 HydrophobicContact CG2-CB 3.91Å; I60-P296 HydrophobicContact CG2-CG 4.21Å; S64-P296 WeakPolarHBondContact CB-O 3.42Å; P296-L299 PolarHBondContact O-N 2.89Å; P296-G300 PolarHBondContact O-N 3.11Å
297V92.2Very high91Very high0 Ų030.7 Ų30.70%015%0.146CC..Hα-helixtrans-64.5-48.7174.3-175.20000110.3I60 D63 V120 M294 F295 L299 G300 H301I60-V297 HydrophobicContact CB-CG2 4.38Å; I60-V297 HydrophobicContact CG1-CG2 4.49Å; I60-V297 HydrophobicContact CG2-CG2 3.97Å; D63-V297 HydrophobicContact CB-CG1 3.86Å; D63-V297 HydrophobicContact CB-CG2 3.91Å; V120-V297 HydrophobicContact CB-CG1 4.27Å; V120-V297 HydrophobicContact CG1-CG1 4.44Å; M294-V297 HydrophobicContact CE-CB 4.04Å; M294-V297 HydrophobicContact CE-CG1 4.21Å; M294-V297 HydrophobicContact CE-CG2 3.87Å; M294-V297 WeakPolarHBondContact O-CB 3.5Å; M294-V297 PolarHBondContact O-N 2.92Å; M294-V297 VanDerWaalsContact O-N 3.1Å; M294-V297 HydrophobicContact SD-CG2 4.46Å; F295-V297 VanDerWaalsContact C-N 3.28Å; F295-V297 PolarHBondContact O-N 2.78Å; V297-L299 VanDerWaalsContact C-N 3.32Å; V297-L299 PolarHBondContact O-N 2.96Å; V297-G300 PolarHBondContact O-N 2.87Å; V297-G300 VanDerWaalsContact O-N 3.12Å; V297-H301 PolarHBondContact O-CD2 3.2Å; V297-H301 PolarHBondContact O-N 3.16Å
298I91.5Very high90.9Very high5 Ų527.4 Ų27.43%0.02614%0.135CC..Hα-helixtrans-56.3-47.8176.5-66.9167.2000110.2M121 F290 M294 F295 G300 H301 Y302 W398M121-I298 HydrophobicContact SD-CD1 4.3Å; F290-I298 HydrophobicContact CE2-CD1 4.47Å; M294-I298 WeakPolarHBondContact O-CG1 3.49Å; M294-I298 PolarHBondContact O-N 3.36Å; F295-I298 HydrophobicContact CD2-CB 4.44Å; F295-I298 PolarHBondContact O-N 3.24Å; I298-G300 VanDerWaalsContact C-N 3.29Å; I298-G300 PolarHBondContact O-N 2.75Å; I298-H301 CarbonylContact O-C 3.53Å; I298-H301 PolarHBondContact O-N 3.42Å; I298-Y302 WeakPolarHBondContact O-CA 3.48Å; I298-Y302 WeakPolarHBondContact O-CB 3.3Å; I298-Y302 PolarHBondContact O-N 2.7Å; I298-W398 HydrophobicContact CD1-CB 4.36Å; I298-W398 HydrophobicContact CD1-CD2 4.06Å; I298-W398 HydrophobicContact CD1-CE3 3.95Å; I298-W398 HydrophobicContact CD1-CG 4.25Å; I298-W398 HydrophobicContact CG1-CD2 4.35Å; I298-W398 HydrophobicContact CG1-CE3 4.45Å; I298-W398 HydrophobicContact CG2-CD2 4.47Å; I298-W398 HydrophobicContact CG2-CE3 4.02Å; I298-W398 HydrophobicContact CG2-CH2 3.63Å; I298-W398 HydrophobicContact CG2-CZ2 4.14Å; I298-W398 HydrophobicContact CG2-CZ3 3.57Å
299L88.7Confident90.9Very high4 Ų422.1 Ų22.12%0.02111%0.106CC..Hα-helixtrans-62.6-34.5178.6-73.9-179.9000112.7F261 R262 C265 R266 F295 P296 V297 H301 Y302F261-L299 HydrophobicContact CD1-CD2 4.3Å; F261-L299 HydrophobicContact CE1-CD2 4.22Å; R262-L299 WeakPolarHBondContact CD-O 3.42Å; R262-L299 WeakPolarHBondContact CG-O 3.41Å; R262-L299 PolarHBondContact NE-O 3.47Å; C265-L299 HydrophobicContact CB-CD1 3.59Å; C265-L299 HydrophobicContact CB-CD2 3.99Å; C265-L299 HydrophobicContact CB-CG 4.46Å; R266-L299 HydrophobicContact CG-CD1 4.05Å; F295-L299 HydrophobicContact CD1-CD1 3.89Å; F295-L299 HydrophobicContact CD1-CG 4.27Å; F295-L299 HydrophobicContact CD2-CG 4.15Å; F295-L299 HydrophobicContact CE1-CD1 3.52Å; F295-L299 HydrophobicContact CE1-CD2 4.35Å; F295-L299 HydrophobicContact CE1-CG 3.97Å; F295-L299 HydrophobicContact CE2-CD1 4.35Å; F295-L299 HydrophobicContact CE2-CD2 3.9Å; F295-L299 HydrophobicContact CE2-CG 3.87Å; F295-L299 HydrophobicContact CG-CD1 4.47Å; F295-L299 HydrophobicContact CG-CG 4.4Å; F295-L299 HydrophobicContact CZ-CD1 3.8Å; F295-L299 HydrophobicContact CZ-CD2 3.74Å; F295-L299 HydrophobicContact CZ-CG 3.78Å; F295-L299 WeakPolarHBondContact O-CG 3.27Å; F295-L299 PolarHBondContact O-N 3.31Å; P296-L299 PolarHBondContact O-N 2.89Å; V297-L299 VanDerWaalsContact C-N 3.32Å; V297-L299 PolarHBondContact O-N 2.96Å; L299-H301 PolarHBondContact O-N 3.1Å; L299-Y302 WeakPolarHBondContact CA-O 3.47Å
300G89.5Confident90.9Very high8 Ų821.7 Ų21.78%0.08210%0.104CC..Hα-helixtrans-56.4-33.7172.700000112.9S64 R147 P296 V297 I298S64-G300 VanDerWaalsContact O-CA 3.27Å; S64-G300 WeakPolarHBondContact O-CA 3.2Å; R147-G300 PolarHBondContact NH1-O 3.05Å; R147-G300 PolarHBondContact NH2-O 3.41Å; R147-G300 VanDerWaalsContact NH2-O 3.16Å; P296-G300 PolarHBondContact O-N 3.11Å; V297-G300 PolarHBondContact O-N 2.87Å; V297-G300 VanDerWaalsContact O-N 3.12Å; I298-G300 VanDerWaalsContact C-N 3.29Å; I298-G300 PolarHBondContact O-N 2.75Å
301H92.2Very high90.8Very high6 Ų621.2 Ų21.23%0.02810%0.103CC..Hα-helixtrans-109.5-19.4-171.2-70.2-62.9000115.3D63 L66 A116 V120 R147 V297 I298 L299D63-H301 PolarHBondContact O-NE2 2.02Å; L66-H301 PolarHBondContact O-CE1 2.96Å; A116-H301 HydrophobicContact CB-CB 3.62Å; V120-H301 HydrophobicContact CG1-CB 3.75Å; V120-H301 VanDerWaalsContact CG1-CD2 3.49Å; V120-H301 WeakPolarHBondContact CG1-CD2 3.44Å; R147-H301 PolarHBondContact NH2-O 2.89Å; V297-H301 PolarHBondContact O-CD2 3.2Å; V297-H301 PolarHBondContact O-N 3.16Å; I298-H301 CarbonylContact O-C 3.53Å; I298-H301 PolarHBondContact O-N 3.42Å; L299-H301 PolarHBondContact O-N 3.1Å
302Y89Confident90.9Very high31 Ų3120.9 Ų20.912%0.12210%0.099CC..SBendtrans-135.3133.4-175.3-177.1-85.6000110V112 D113 I298 L299 W398V112-Y302 HydrophobicContact CB-CE2 3.95Å; V112-Y302 HydrophobicContact CG1-CE1 4.5Å; V112-Y302 HydrophobicContact CG1-CE2 3.96Å; V112-Y302 WeakPolarHBondContact O-CD2 3.01Å; V112-Y302 WeakPolarHBondContact O-CE2 3.43Å; D113-Y302 HydrophobicContact CB-CD2 4.13Å; D113-Y302 HydrophobicContact CB-CE2 4.15Å; I298-Y302 WeakPolarHBondContact O-CA 3.48Å; I298-Y302 WeakPolarHBondContact O-CB 3.3Å; I298-Y302 PolarHBondContact O-N 2.7Å; L299-Y302 WeakPolarHBondContact CA-O 3.47Å; Y302-W398 HydrophobicContact CD1-CH2 4.04Å; Y302-W398 AromaticContact CD2-CH2 3.89Å; Y302-W398 HydrophobicContact CD2-CH2 3.89Å; Y302-W398 HydrophobicContact CD2-CZ2 4.33Å; Y302-W398 HydrophobicContact CE1-CH2 4.49Å; Y302-W398 HydrophobicContact CE2-CH2 4.35Å; Y302-W398 AromaticContact CG-CH2 3.72Å; Y302-W398 HydrophobicContact CG-CH2 3.72Å; Y302-W398 HydrophobicContact CG-CZ2 4.38Å
303P90.5Very high91.1Very high2 Ų216.5 Ų16.51%0.0138%0.083CC..  cis-74.7160.30.632.9-39.4000113.3V112 R147 F257 F261 R262V112-P303 HydrophobicContact CG1-CB 3.12Å; V112-P303 HydrophobicContact CG1-CG 4.49Å; V112-P303 CarbonylContact O-C 3.52Å; V112-P303 WeakPolarHBondContact O-CA 3.26Å; R147-P303 PolarHBondContact NH2-O 3.02Å; F257-P303 HydrophobicContact CB-CB 3.57Å; F257-P303 HydrophobicContact CB-CG 3.85Å; F257-P303 HydrophobicContact CG-CB 4.47Å; F257-P303 WeakPolarHBondContact O-CB 3.27Å; F257-P303 WeakPolarHBondContact O-CG 3.44Å; F261-P303 HydrophobicContact CB-CG 4Å; R262-P303 PolarHBondContact NE-O 3.35Å; R262-P303 PolarHBondContact NH2-O 3.17Å
304A91.9Very high91.3Very high0 Ų012.5 Ų12.50%07%0.065CC..  trans-116.313.4-174.500000114.5V112 N146 R147V112-A304 PolarHBondContact O-N 3.23Å; N146-A304 CarbonylContact C-O 3.48Å; N146-A304 VanDerWaalsContact CA-O 3.26Å; N146-A304 WeakPolarHBondContact CA-O 3.47Å; R147-A304 HydrophobicContact CG-CB 4.19Å; R147-A304 PolarHBondContact N-O 3.3Å
305G90.3Very high91.3Very high0 Ų011.8 Ų11.80%06%0.062CC..  trans84139.2178.200000114.4M256 F257M256-G305 CarbonylContact O-C 3.59Å; M256-G305 WeakPolarHBondContact O-CA 3.48Å; F257-G305 WeakPolarHBondContact O-CA 3.43Å; F257-G305 PolarHBondContact O-N 3.2Å
306V92.9Very high91.5Very high5 Ų513.7 Ų13.73%0.037%0.071CC..EExtended strand (participates in β ladder)trans-150155.5175-70.90000112.2L111 V112 M256 F257 V311L111-V306 HydrophobicContact CD1-CB 4.24Å; L111-V306 HydrophobicContact CD1-CG1 3.74Å; L111-V306 HydrophobicContact CG-CG1 4.16Å; V112-V306 HydrophobicContact CG2-CG1 4.27Å; V112-V306 HydrophobicContact CG2-CG2 4.17Å; M256-V306 HydrophobicContact CB-CG2 4.35Å; M256-V306 PolarHBondContact N-O 3.38Å; M256-V306 PolarHBondContact O-N 3.35Å; F257-V306 HydrophobicContact CD2-CG2 3.85Å; F257-V306 HydrophobicContact CE2-CG2 4.46Å; V306-V311 HydrophobicContact CG2-CG2 4.4Å
307A93.8Very high91.7Very high0 Ų011.7 Ų11.70%06%0.057CC..EExtended strand (participates in β ladder)trans-67.4133.4165.200000112W163 F165 K309 Q310W163-A307 HydrophobicContact CE3-CB 3.93Å; F165-A307 HydrophobicContact CD1-CB 4.37Å; F165-A307 HydrophobicContact CD2-CB 4.15Å; F165-A307 HydrophobicContact CE1-CB 3.94Å; F165-A307 HydrophobicContact CE2-CB 3.7Å; F165-A307 HydrophobicContact CG-CB 4.46Å; F165-A307 HydrophobicContact CZ-CB 3.57Å; A307-K309 PolarHBondContact O-N 3.19Å; A307-K309 VanDerWaalsContact O-N 3.1Å; A307-Q310 HydrophobicContact CB-CG 4.35Å; A307-Q310 WeakPolarHBondContact O-CB 2.87Å; A307-Q310 PolarHBondContact O-N 3.27Å
308A90.6Very high91.7Very high8 Ų812.7 Ų12.77%0.0666%0.063CC..Hα-helixtrans-57.2-28.5175.700000112.9R254 M256 Q310 V311 K312R254-A308 PolarHBondContact O-N 3.35Å; M256-A308 HydrophobicContact CG-CB 4.16Å; M256-A308 HydrophobicContact SD-CB 3.78Å; A308-Q310 VanDerWaalsContact C-N 3.29Å; A308-Q310 PolarHBondContact O-N 3.22Å; A308-V311 PolarHBondContact O-N 2.81Å; A308-K312 WeakPolarHBondContact O-CG 3.39Å; A308-K312 PolarHBondContact O-N 3.5Å; A308-K312 VanDerWaalsContact O-N 3.09Å
309K92.6Very high91.5Very high21 Ų2117.5 Ų17.59%0.0918%0.083CC..Hα-helixtrans-65.9-26.6176.1-176.3-179.9178.1-176.70112.5D164 F165 S166 A307 H313 Y326 Y328D164-K309 PolarHBondContact O-NZ 2.82Å; D164-K309 WeakPolarHBondContact OD1-CD 3.49Å; D164-K309 IonicContact OD1-NZ 2.7Å; D164-K309 PolarHBondContact OD1-NZ 3.06Å; F165-K309 WeakPolarHBondContact O-CB 3.48Å; S166-K309 PolarHBondContact OG-O 3.49Å; A307-K309 PolarHBondContact O-N 3.19Å; A307-K309 VanDerWaalsContact O-N 3.1Å; K309-H313 WeakPolarHBondContact O-CB 3.38Å; K309-H313 PolarHBondContact O-N 3.48Å; K309-H313 VanDerWaalsContact O-N 3.08Å; K309-Y326 HydrophobicContact CG-CD2 3.95Å; K309-Y326 HydrophobicContact CG-CE2 3.72Å; K309-Y328 PolarHBondContact NZ-OH 3.44Å
310Q94.7Very high91.7Very high3 Ų320.2 Ų20.21%0.01410%0.103CC..Hα-helixtrans-64.9-49.1171.3-68173.685.300111.4L111 F165 A307 A308 K312 H313 F314L111-Q310 HydrophobicContact CD1-CB 3.64Å; L111-Q310 HydrophobicContact CD1-CG 4.41Å; F165-Q310 HydrophobicContact CE2-CG 4.39Å; F165-Q310 VanDerWaalsContact CE2-NE2 3.26Å; A307-Q310 HydrophobicContact CB-CG 4.35Å; A307-Q310 WeakPolarHBondContact O-CB 2.87Å; A307-Q310 PolarHBondContact O-N 3.27Å; A308-Q310 VanDerWaalsContact C-N 3.29Å; A308-Q310 PolarHBondContact O-N 3.22Å; Q310-K312 PolarHBondContact O-N 3.04Å; Q310-H313 WeakPolarHBondContact O-CB 3.45Å; Q310-H313 PolarHBondContact O-N 3.2Å; Q310-H313 VanDerWaalsContact O-N 3.14Å; Q310-F314 PolarHBondContact O-N 3.24Å; Q310-F314 VanDerWaalsContact O-N 3.1Å
311V91.2Very high91.8Very high14 Ų1420.8 Ų20.89%0.08511%0.108CC..Hα-helixtrans-64.1-43.7-179.6-169.90000111.3L111 F245 V306 A308 H313 F314 I315L111-V311 HydrophobicContact CD2-CG2 4.31Å; F245-V311 HydrophobicContact CD1-CB 3.9Å; F245-V311 HydrophobicContact CD1-CG1 3.49Å; F245-V311 VanDerWaalsContact CD1-CG1 3.49Å; F245-V311 HydrophobicContact CD2-CG1 4.2Å; F245-V311 HydrophobicContact CE1-CB 3.62Å; F245-V311 HydrophobicContact CE1-CG1 3.31Å; F245-V311 HydrophobicContact CE1-CG2 3.77Å; F245-V311 HydrophobicContact CE2-CG1 4.1Å; F245-V311 HydrophobicContact CG-CG1 3.93Å; F245-V311 HydrophobicContact CZ-CB 4.32Å; F245-V311 HydrophobicContact CZ-CG1 3.66Å; F245-V311 HydrophobicContact CZ-CG2 4.25Å; V306-V311 HydrophobicContact CG2-CG2 4.4Å; A308-V311 PolarHBondContact O-N 2.81Å; V311-H313 PolarHBondContact O-N 3.41Å; V311-F314 PolarHBondContact O-N 3.19Å; V311-I315 HydrophobicContact CG1-CD1 4.29Å; V311-I315 WeakPolarHBondContact O-CG1 3.03Å; V311-I315 PolarHBondContact O-N 2.62Å
312K90Very high91.9Very high44 Ų4423.1 Ų23.119%0.19112%0.117CC..Hα-helixtrans-58.7-37.5174.9-73.2175.6-177.3168.80112V249 A308 Q310 I315 Q316 Y326V249-K312 HydrophobicContact CG2-CD 4.45Å; A308-K312 WeakPolarHBondContact O-CG 3.39Å; A308-K312 PolarHBondContact O-N 3.5Å; A308-K312 VanDerWaalsContact O-N 3.09Å; Q310-K312 PolarHBondContact O-N 3.04Å; K312-I315 WeakPolarHBondContact O-CB 3.32Å; K312-I315 PolarHBondContact O-N 2.83Å; K312-Q316 WeakPolarHBondContact O-CG 3.34Å; K312-Q316 PolarHBondContact O-N 3.09Å; K312-Y326 HydrophobicContact CB-CE2 4.19Å
313H94.4Very high92.3Very high2 Ų221.7 Ų21.71%0.00911%0.112CC..Hα-helixtrans-67.9-41178.5-158.2179.9000112.3S166 W167 K309 Q310 V311 I315 Q316 I317 A324 Y326S166-H313 WeakPolarHBondContact OG-CB 3.48Å; S166-H313 PolarHBondContact OG-ND1 3.48Å; W167-H313 AromaticContact CD2-ND1 3.76Å; W167-H313 AromaticContact CE2-CE1 3.46Å; W167-H313 VanDerWaalsContact CE2-CE1 3.46Å; W167-H313 AromaticContact CE2-CG 3.54Å; W167-H313 AromaticContact CE2-ND1 3.15Å; W167-H313 AromaticContact CH2-CE1 3.28Å; W167-H313 WeakPolarHBondContact CH2-CE1 3.34Å; W167-H313 AromaticContact CH2-ND1 3.89Å; W167-H313 AromaticContact CH2-NE2 3.51Å; W167-H313 HydrophobicContact CZ2-CB 4.38Å; W167-H313 AromaticContact CZ2-CD2 3.47Å; W167-H313 VanDerWaalsContact CZ2-CD2 3.47Å; W167-H313 WeakPolarHBondContact CZ2-CD2 3.47Å; W167-H313 AromaticContact CZ2-CE1 3.04Å; W167-H313 WeakPolarHBondContact CZ2-CE1 3.43Å; W167-H313 AromaticContact CZ2-CG 3.45Å; W167-H313 VanDerWaalsContact CZ2-CG 3.45Å; W167-H313 AromaticContact CZ2-ND1 3.2Å; W167-H313 WeakPolarHBondContact CZ2-ND1 3.45Å; W167-H313 AromaticContact CZ2-NE2 3.22Å; W167-H313 WeakPolarHBondContact CZ2-NE2 3.3Å; W167-H313 AromaticContact CZ3-CE1 3.85Å; W167-H313 AromaticContact NE1-CG 3.53Å; W167-H313 AromaticContact NE1-ND1 3.44Å; W167-H313 PolarHBondContact NE1-ND1 3.31Å; K309-H313 WeakPolarHBondContact O-CB 3.38Å; K309-H313 PolarHBondContact O-N 3.48Å; K309-H313 VanDerWaalsContact O-N 3.08Å; Q310-H313 WeakPolarHBondContact O-CB 3.45Å; Q310-H313 PolarHBondContact O-N 3.2Å; Q310-H313 VanDerWaalsContact O-N 3.14Å; V311-H313 PolarHBondContact O-N 3.41Å; H313-I315 VanDerWaalsContact C-N 3.32Å; H313-I315 PolarHBondContact O-N 2.84Å; H313-Q316 WeakPolarHBondContact O-CB 3.38Å; H313-Q316 PolarHBondContact O-N 3.22Å; H313-Q316 VanDerWaalsContact O-N 3.11Å; H313-I317 PolarHBondContact O-N 3.43Å; H313-I317 VanDerWaalsContact O-N 3.11Å; H313-A324 PolarHBondContact NE2-O 2.74Å; H313-Y326 HydrophobicContact CB-CD2 3.77Å; H313-Y326 HydrophobicContact CB-CE2 4.22Å; H313-Y326 PolarHBondContact CE1-N 3.45Å; H313-Y326 VanDerWaalsContact CE1-N 3.29Å; H313-Y326 AromaticContact CG-CD2 3.73Å; H313-Y326 VanDerWaalsContact NE2-CA 3.28Å; H313-Y326 WeakPolarHBondContact NE2-CA 3.36Å; H313-Y326 PolarHBondContact NE2-N 3.35Å; H313-Y326 VanDerWaalsContact NE2-N 3.1Å
314F93.4Very high92.6Very high29 Ų2921.8 Ų21.813%0.12711%0.113CC..Hα-helixtrans-62.7-37.8171.8-82.1-62000112.6L111 W167 Q198 T201 A226 Q310 V311 Q316 I317 I318L111-F314 HydrophobicContact CB-CE2 4.4Å; L111-F314 HydrophobicContact CD1-CE2 4.34Å; L111-F314 HydrophobicContact CD2-CD2 4.04Å; L111-F314 HydrophobicContact CD2-CE2 4.2Å; W167-F314 AromaticContact CD1-CE2 3.64Å; W167-F314 AromaticContact CD1-CZ 3.84Å; W167-F314 AromaticContact NE1-CE2 3.97Å; Q198-F314 HydrophobicContact CB-CE2 4.37Å; Q198-F314 HydrophobicContact CB-CZ 4.17Å; Q198-F314 HydrophobicContact CG-CE2 4.25Å; Q198-F314 HydrophobicContact CG-CZ 4.16Å; T201-F314 HydrophobicContact CG2-CE1 4.21Å; T201-F314 HydrophobicContact CG2-CZ 4.22Å; A226-F314 HydrophobicContact CB-CE1 4.07Å; A226-F314 HydrophobicContact CB-CZ 4.38Å; Q310-F314 PolarHBondContact O-N 3.24Å; Q310-F314 VanDerWaalsContact O-N 3.1Å; V311-F314 PolarHBondContact O-N 3.19Å; F314-Q316 VanDerWaalsContact C-N 3.25Å; F314-Q316 PolarHBondContact O-N 2.8Å; F314-I317 HydrophobicContact CD1-CD1 4.13Å; F314-I317 HydrophobicContact CE1-CD1 4.46Å; F314-I317 WeakPolarHBondContact O-CB 3.35Å; F314-I317 PolarHBondContact O-N 2.87Å; F314-I317 VanDerWaalsContact O-N 3.11Å; F314-I318 WeakPolarHBondContact O-CG1 3.44Å; F314-I318 PolarHBondContact O-N 3.26Å
315I90.8Very high92.9Very high11 Ų1122.4 Ų22.46%0.05612%0.116CC..Hα-helixtrans-60.7-36.1173-67.9165.6000111.5F245 V311 K312 H313 I318 K319F245-I315 HydrophobicContact CB-CD1 3.37Å; F245-I315 HydrophobicContact CG-CD1 4.03Å; V311-I315 HydrophobicContact CG1-CD1 4.29Å; V311-I315 WeakPolarHBondContact O-CG1 3.03Å; V311-I315 PolarHBondContact O-N 2.62Å; K312-I315 WeakPolarHBondContact O-CB 3.32Å; K312-I315 PolarHBondContact O-N 2.83Å; H313-I315 VanDerWaalsContact C-N 3.32Å; H313-I315 PolarHBondContact O-N 2.84Å; I315-I318 PolarHBondContact O-N 3.49Å; I315-K319 HydrophobicContact CG2-CD 4.13Å; I315-K319 HydrophobicContact CG2-CG 4.5Å; I315-K319 WeakPolarHBondContact O-CG 3.45Å; I315-K319 PolarHBondContact O-N 3.09Å
316Q92Very high93.2Very high50 Ų5024.3 Ų24.323%0.23412%0.124CC..Hα-helixtrans-64.6-40.9173.9-67.8175.4-9.500111.8K312 H313 F314 S320 S327K312-Q316 WeakPolarHBondContact O-CG 3.34Å; K312-Q316 PolarHBondContact O-N 3.09Å; H313-Q316 WeakPolarHBondContact O-CB 3.38Å; H313-Q316 PolarHBondContact O-N 3.22Å; H313-Q316 VanDerWaalsContact O-N 3.11Å; F314-Q316 VanDerWaalsContact C-N 3.25Å; F314-Q316 PolarHBondContact O-N 2.8Å; Q316-S320 WeakPolarHBondContact O-CB 3.36Å; Q316-S320 PolarHBondContact O-N 2.83Å; Q316-S320 PolarHBondContact O-OG 3.18Å; Q316-S327 PolarHBondContact NE2-O 2.8Å
317I93.7Very high93.3Very high2 Ų225.5 Ų25.51%0.0113%0.132CC..Hα-helixtrans-62.3-49.1174.7-66171.5000110.2W167 V227 A229 H313 F314 K319 S320 G321 F323W167-I317 HydrophobicContact CH2-CD1 3.87Å; W167-I317 HydrophobicContact CZ2-CD1 3.3Å; W167-I317 HydrophobicContact CZ2-CG1 4.17Å; V227-I317 WeakPolarHBondContact O-CG2 3.3Å; A229-I317 HydrophobicContact CB-CG2 4.16Å; H313-I317 PolarHBondContact O-N 3.43Å; H313-I317 VanDerWaalsContact O-N 3.11Å; F314-I317 HydrophobicContact CD1-CD1 4.13Å; F314-I317 HydrophobicContact CE1-CD1 4.46Å; F314-I317 WeakPolarHBondContact O-CB 3.35Å; F314-I317 PolarHBondContact O-N 2.87Å; F314-I317 VanDerWaalsContact O-N 3.11Å; I317-K319 VanDerWaalsContact C-N 3.33Å; I317-K319 PolarHBondContact O-N 3.17Å; I317-S320 PolarHBondContact O-N 2.87Å; I317-G321 VanDerWaalsContact O-CA 3.3Å; I317-G321 WeakPolarHBondContact O-CA 3.43Å; I317-G321 PolarHBondContact O-N 2.72Å; I317-F323 HydrophobicContact CD1-CD2 3.83Å; I317-F323 HydrophobicContact CD1-CE2 4.29Å
318I91.1Very high93.3Very high22 Ų2228.2 Ų28.211%0.11314%0.143CC..Hα-helixtrans-55.5-48.8-179.3-68.6161.3000110.7A229 E233 I238 F314 I315A229-I318 HydrophobicContact CB-CG1 3.63Å; E233-I318 HydrophobicContact CB-CG2 3.76Å; E233-I318 HydrophobicContact CG-CG2 4.06Å; I238-I318 HydrophobicContact CG2-CD1 3.89Å; I238-I318 HydrophobicContact CG2-CG2 4.21Å; F314-I318 WeakPolarHBondContact O-CG1 3.44Å; F314-I318 PolarHBondContact O-N 3.26Å; I315-I318 PolarHBondContact O-N 3.49Å
319K89.2Confident93.4Very high105 Ų10531.4 Ų31.446%0.45717%0.165SC..Hα-helixtrans-72-32.8-178.3-71.7-179.8176.1178.70114.3N246 I315 I317N246-K319 PolarHBondContact ND2-NZ 3.01Å; N246-K319 PolarHBondContact OD1-NZ 2.92Å; I315-K319 HydrophobicContact CG2-CD 4.13Å; I315-K319 HydrophobicContact CG2-CG 4.5Å; I315-K319 WeakPolarHBondContact O-CG 3.45Å; I315-K319 PolarHBondContact O-N 3.09Å; I317-K319 VanDerWaalsContact C-N 3.33Å; I317-K319 PolarHBondContact O-N 3.17Å
320S91Very high93.3Very high62 Ų6233.1 Ų33.143%0.43418%0.179SC..Hα-helixtrans-97.9-21.9-173.3680000113.4Q316 I317 R322Q316-S320 WeakPolarHBondContact O-CB 3.36Å; Q316-S320 PolarHBondContact O-N 2.83Å; Q316-S320 PolarHBondContact O-OG 3.18Å; I317-S320 PolarHBondContact O-N 2.87Å; S320-R322 PolarHBondContact O-N 2.74Å; S320-R322 WeakPolarHBondContact OG-CB 3.45Å; S320-R322 PolarHBondContact OG-N 2.68Å; S320-R322 VanDerWaalsContact OG-N 3.09Å
321G91.5Very high93.3Very high19 Ų1938.8 Ų38.820%0.19621%0.21CC..  trans59.621.7-164.900000113.2I317I317-G321 VanDerWaalsContact O-CA 3.3Å; I317-G321 WeakPolarHBondContact O-CA 3.43Å; I317-G321 PolarHBondContact O-N 2.72Å
322R94.5Very high93.5Very high55 Ų5542 Ų4221%0.20822%0.222CC..  trans-113114-176.2-60.5174.363.394.6-4110.4S320 A324 P342S320-R322 PolarHBondContact O-N 2.74Å; S320-R322 WeakPolarHBondContact OG-CB 3.45Å; S320-R322 PolarHBondContact OG-N 2.68Å; S320-R322 VanDerWaalsContact OG-N 3.09Å; R322-A324 HydrophobicContact CB-CB 4.46Å; R322-A324 PolarHBondContact O-N 3.04Å; R322-A324 VanDerWaalsContact O-N 3.16Å; R322-P342 PolarHBondContact NH2-O 3.12Å
323F97.8Very high93.8Very high2 Ų240 Ų401%0.00921%0.214CC..  trans-75.9100.1165-168.9-126.2000109.8W167 T201 F204 V205 V227 Y228 I317 R344 Y345 L347W167-F323 HydrophobicContact CE3-CE2 4.31Å; W167-F323 AromaticContact CH2-CD2 3.93Å; W167-F323 HydrophobicContact CH2-CD2 3.93Å; W167-F323 AromaticContact CH2-CE2 3.51Å; W167-F323 HydrophobicContact CH2-CE2 3.51Å; W167-F323 HydrophobicContact CH2-CZ 4.36Å; W167-F323 HydrophobicContact CZ2-CE2 4.28Å; W167-F323 HydrophobicContact CZ3-CD2 4.35Å; W167-F323 AromaticContact CZ3-CE2 3.51Å; W167-F323 HydrophobicContact CZ3-CE2 3.51Å; W167-F323 AromaticContact CZ3-CZ 3.96Å; W167-F323 HydrophobicContact CZ3-CZ 3.96Å; T201-F323 HydrophobicContact CG2-CE2 3.45Å; T201-F323 VanDerWaalsContact CG2-CE2 3.45Å; T201-F323 HydrophobicContact CG2-CZ 3.84Å; F204-F323 HydrophobicContact CB-CE1 4.27Å; V205-F323 HydrophobicContact CG2-CE1 4.37Å; V205-F323 HydrophobicContact CG2-CE2 4.5Å; V205-F323 HydrophobicContact CG2-CZ 3.74Å; V227-F323 HydrophobicContact CG1-CB 4.06Å; V227-F323 HydrophobicContact CG1-CD1 3.49Å; V227-F323 VanDerWaalsContact CG1-CD1 3.49Å; V227-F323 HydrophobicContact CG1-CD2 3.82Å; V227-F323 HydrophobicContact CG1-CE1 3.81Å; V227-F323 HydrophobicContact CG1-CE2 4.14Å; V227-F323 HydrophobicContact CG1-CG 3.51Å; V227-F323 HydrophobicContact CG1-CZ 4.12Å; V227-F323 WeakPolarHBondContact O-CD2 3.15Å; Y228-F323 HydrophobicContact CD1-CB 3.8Å; Y228-F323 HydrophobicContact CE1-CB 3.43Å; Y228-F323 VanDerWaalsContact CE1-CB 3.43Å; Y228-F323 HydrophobicContact CE1-CG 4.45Å; I317-F323 HydrophobicContact CD1-CD2 3.83Å; I317-F323 HydrophobicContact CD1-CE2 4.29Å; F323-R344 WeakPolarHBondContact O-CA 3.49Å; F323-Y345 AromaticContact CD1-CD2 3.51Å; F323-Y345 HydrophobicContact CD1-CD2 3.51Å; F323-Y345 HydrophobicContact CD1-CE2 4.44Å; F323-Y345 HydrophobicContact CD1-CG 4.17Å; F323-Y345 HydrophobicContact CD2-CD2 4.25Å; F323-Y345 HydrophobicContact CD2-CE2 4.5Å; F323-Y345 AromaticContact CE1-CD2 3.53Å; F323-Y345 HydrophobicContact CE1-CD2 3.53Å; F323-Y345 HydrophobicContact CE1-CE2 4.27Å; F323-Y345 HydrophobicContact CE1-CG 4.09Å; F323-Y345 HydrophobicContact CE2-CD2 4.23Å; F323-Y345 HydrophobicContact CE2-CE2 4.28Å; F323-Y345 AromaticContact CG-CD2 3.88Å; F323-Y345 HydrophobicContact CG-CD2 3.88Å; F323-Y345 AromaticContact CZ-CD2 3.91Å; F323-Y345 HydrophobicContact CZ-CD2 3.91Å; F323-Y345 HydrophobicContact CZ-CE2 4.19Å; F323-Y345 WeakPolarHBondContact O-CD2 3.22Å; F323-Y345 PolarHBondContact O-N 3.44Å; F323-L347 HydrophobicContact CD1-CD1 4.42Å; F323-L347 HydrophobicContact CD1-CD2 3.96Å; F323-L347 HydrophobicContact CD1-CG 4.37Å; F323-L347 HydrophobicContact CE1-CD2 3.9Å
324A97.7Very high93.9Very high4 Ų443.4 Ų43.43%0.03323%0.231CC..  trans-150.2165.3-171.700000110.7W167 H313 R322 P342 P343 Y345W167-A324 VanDerWaalsContact CH2-O 3.28Å; W167-A324 WeakPolarHBondContact CH2-O 3.35Å; H313-A324 PolarHBondContact NE2-O 2.74Å; R322-A324 HydrophobicContact CB-CB 4.46Å; R322-A324 PolarHBondContact O-N 3.04Å; R322-A324 VanDerWaalsContact O-N 3.16Å; A324-P342 HydrophobicContact CB-CB 4.15Å; A324-P342 HydrophobicContact CB-CG 3.99Å; A324-P343 WeakPolarHBondContact CB-O 3.34Å; A324-Y345 WeakPolarHBondContact O-CE2 3.35Å
325P97.8Very high94Very high12 Ų1249.6 Ų49.68%0.07826%0.26CS..SBendtrans-56.2165.6168.8-26.535000113.8S327 Y337 P342 P343 Y345P325-S327 PolarHBondContact O-N 3.23Å; P325-Y337 HydrophobicContact CB-CE1 4.28Å; P325-P342 HydrophobicContact CB-CB 4.23Å; P325-P342 WeakPolarHBondContact O-CB 3.2Å; P325-P342 WeakPolarHBondContact O-CG 3.47Å; P325-P343 WeakPolarHBondContact CD-O 3.26Å; P325-Y345 WeakPolarHBondContact CA-OH 3.44Å; P325-Y345 HydrophobicContact CG-CE1 3.81Å; P325-Y345 HydrophobicContact CG-CE2 4.47Å
326Y96.5Very high94.2Very high41 Ų4153.6 Ų53.616%0.16128%0.281CS..PPolyproline II helixtrans-59.5122.8-175.4-172.2-84.6000111.2K309 K312 H313 Y328 Y337K309-Y326 HydrophobicContact CG-CD2 3.95Å; K309-Y326 HydrophobicContact CG-CE2 3.72Å; K312-Y326 HydrophobicContact CB-CE2 4.19Å; H313-Y326 HydrophobicContact CB-CD2 3.77Å; H313-Y326 HydrophobicContact CB-CE2 4.22Å; H313-Y326 PolarHBondContact CE1-N 3.45Å; H313-Y326 VanDerWaalsContact CE1-N 3.29Å; H313-Y326 AromaticContact CG-CD2 3.73Å; H313-Y326 VanDerWaalsContact NE2-CA 3.28Å; H313-Y326 WeakPolarHBondContact NE2-CA 3.36Å; H313-Y326 PolarHBondContact NE2-N 3.35Å; H313-Y326 VanDerWaalsContact NE2-N 3.1Å; Y326-Y328 AromaticContact CD1-CD1 3.75Å; Y326-Y328 HydrophobicContact CD1-CD1 3.75Å; Y326-Y328 HydrophobicContact CD1-CD2 4.08Å; Y326-Y328 AromaticContact CD1-CE1 3.55Å; Y326-Y328 HydrophobicContact CD1-CE1 3.55Å; Y326-Y328 AromaticContact CD1-CE2 3.89Å; Y326-Y328 HydrophobicContact CD1-CE2 3.89Å; Y326-Y328 HydrophobicContact CD1-CG 4.01Å; Y326-Y328 AromaticContact CD1-CZ 3.62Å; Y326-Y328 AromaticContact CE1-CD1 3.82Å; Y326-Y328 HydrophobicContact CE1-CD1 3.82Å; Y326-Y328 AromaticContact CE1-CE1 3.84Å; Y326-Y328 HydrophobicContact CE1-CE1 3.84Å; Y326-Y328 HydrophobicContact CE1-CG 4.34Å; Y326-Y328 VanDerWaalsContact O-CD2 3.28Å; Y326-Y328 WeakPolarHBondContact O-CD2 3.39Å; Y326-Y328 WeakPolarHBondContact O-CE2 3.09Å; Y326-Y337 PolarHBondContact O-OH 2.8Å; Y326-Y337 VanDerWaalsContact O-OH 3.05Å
327S95.3Very high94.4Very high29 Ų2954 Ų5420%0.20328%0.281CS..PPolyproline II helixtrans-80.6123.8175.8-176.20000110.4Q316 P325 N333Q316-S327 PolarHBondContact NE2-O 2.8Å; P325-S327 PolarHBondContact O-N 3.23Å; S327-N333 PolarHBondContact OG-ND2 3.28Å
328Y93.6Very high94.5Very high57 Ų5764.4 Ų64.422%0.22432%0.32CS..  trans-95.3-157.1173.3-61-85.3000111K309 Y326 K332 N333 L336 Y337K309-Y328 PolarHBondContact NZ-OH 3.44Å; Y326-Y328 AromaticContact CD1-CD1 3.75Å; Y326-Y328 HydrophobicContact CD1-CD1 3.75Å; Y326-Y328 HydrophobicContact CD1-CD2 4.08Å; Y326-Y328 AromaticContact CD1-CE1 3.55Å; Y326-Y328 HydrophobicContact CD1-CE1 3.55Å; Y326-Y328 AromaticContact CD1-CE2 3.89Å; Y326-Y328 HydrophobicContact CD1-CE2 3.89Å; Y326-Y328 HydrophobicContact CD1-CG 4.01Å; Y326-Y328 AromaticContact CD1-CZ 3.62Å; Y326-Y328 AromaticContact CE1-CD1 3.82Å; Y326-Y328 HydrophobicContact CE1-CD1 3.82Å; Y326-Y328 AromaticContact CE1-CE1 3.84Å; Y326-Y328 HydrophobicContact CE1-CE1 3.84Å; Y326-Y328 HydrophobicContact CE1-CG 4.34Å; Y326-Y328 VanDerWaalsContact O-CD2 3.28Å; Y326-Y328 WeakPolarHBondContact O-CD2 3.39Å; Y326-Y328 WeakPolarHBondContact O-CE2 3.09Å; Y328-K332 HydrophobicContact CD1-CD 3.71Å; Y328-K332 HydrophobicContact CD1-CG 4.48Å; Y328-K332 HydrophobicContact CD2-CD 4.3Å; Y328-K332 HydrophobicContact CD2-CG 4.26Å; Y328-K332 HydrophobicContact CE1-CD 4.41Å; Y328-K332 HydrophobicContact CG-CD 3.64Å; Y328-K332 HydrophobicContact CG-CG 3.9Å; Y328-N333 WeakPolarHBondContact CA-OD1 3.37Å; Y328-N333 WeakPolarHBondContact CB-OD1 3.49Å; Y328-N333 PolarHBondContact N-OD1 2.94Å; Y328-N333 PolarHBondContact O-ND2 2.85Å; Y328-L336 HydrophobicContact CD2-CD1 3.66Å; Y328-L336 HydrophobicContact CE2-CD1 3.67Å; Y328-Y337 HydrophobicContact CD2-CE2 4.44Å
329S91.6Very high94.7Very high75 Ų7567.5 Ų67.552%0.52434%0.337SS..  trans-65.9154.2167.864.20000110.7N331 K332 N333S329-N331 PolarHBondContact O-N 2.88Å; S329-N331 VanDerWaalsContact O-N 3.17Å; S329-K332 PolarHBondContact O-N 3.45Å; S329-K332 WeakPolarHBondContact OG-CB 3.33Å; S329-K332 PolarHBondContact OG-N 3.26Å; S329-N333 PolarHBondContact O-N 3.44Å
330S91.2Very high94.9Very high57 Ų5767.7 Ų67.740%0.39934%0.339SS..Hα-helixtrans-50.1-43.4179.1-177.30000112.8N333 M334 H340S330-N333 PolarHBondContact O-N 3.29Å; S330-M334 WeakPolarHBondContact O-CG 3.34Å; S330-M334 PolarHBondContact O-N 3.05Å; S330-H340 PolarHBondContact OG-ND1 3.05Å
331N95Very high95Very high122 Ų12268.8 Ų68.865%0.65234%0.34SS*.Hα-helixtrans-65.4-42.2177.2-68.2-9.2000112.7S329 M334 Q335S329-N331 PolarHBondContact O-N 2.88Å; S329-N331 VanDerWaalsContact O-N 3.17Å; N331-M334 PolarHBondContact O-N 2.97Å; N331-Q335 WeakPolarHBondContact O-CG 3.19Å; N331-Q335 PolarHBondContact O-N 3.16Å; N331-Q335 VanDerWaalsContact O-N 3.11Å
332K94.7Very high95.2Very high81 Ų8168.2 Ų68.235%0.35233%0.333SS..Hα-helixtrans-70.6-35.7178.5-176.8165.5175.8-177.50111.3Y328 S329 Q335 L336Y328-K332 HydrophobicContact CD1-CD 3.71Å; Y328-K332 HydrophobicContact CD1-CG 4.48Å; Y328-K332 HydrophobicContact CD2-CD 4.3Å; Y328-K332 HydrophobicContact CD2-CG 4.26Å; Y328-K332 HydrophobicContact CE1-CD 4.41Å; Y328-K332 HydrophobicContact CG-CD 3.64Å; Y328-K332 HydrophobicContact CG-CG 3.9Å; S329-K332 PolarHBondContact O-N 3.45Å; S329-K332 WeakPolarHBondContact OG-CB 3.33Å; S329-K332 PolarHBondContact OG-N 3.26Å; K332-Q335 PolarHBondContact O-N 3.1Å; K332-L336 HydrophobicContact CD-CD1 4.48Å; K332-L336 HydrophobicContact CG-CD1 3.82Å; K332-L336 HydrophobicContact CG-CG 4.32Å; K332-L336 WeakPolarHBondContact O-CB 3.37Å; K332-L336 WeakPolarHBondContact O-CG 3.46Å; K332-L336 PolarHBondContact O-N 3.29Å
333N97.1Very high95.3Very high2 Ų269.2 Ų69.21%0.01135%0.346CS..Hα-helixtrans-63.2-45172.1-73.5-5.9000111.3S327 Y328 S329 S330 Q335 L336 Y337 R338 D339 H340S327-N333 PolarHBondContact OG-ND2 3.28Å; Y328-N333 WeakPolarHBondContact CA-OD1 3.37Å; Y328-N333 WeakPolarHBondContact CB-OD1 3.49Å; Y328-N333 PolarHBondContact N-OD1 2.94Å; Y328-N333 PolarHBondContact O-ND2 2.85Å; S329-N333 PolarHBondContact O-N 3.44Å; S330-N333 PolarHBondContact O-N 3.29Å; N333-Q335 VanDerWaalsContact C-N 3.26Å; N333-Q335 PolarHBondContact O-N 3.01Å; N333-L336 PolarHBondContact O-N 3.45Å; N333-Y337 HydrophobicContact CB-CD2 4.03Å; N333-Y337 WeakPolarHBondContact O-CA 3.4Å; N333-Y337 WeakPolarHBondContact O-CB 3.41Å; N333-Y337 PolarHBondContact O-N 3.44Å; N333-R338 PolarHBondContact O-N 2.74Å; N333-D339 CarbonylContact C-O 3.08Å; N333-D339 WeakPolarHBondContact CB-O 3.04Å; N333-H340 WeakPolarHBondContact CB-O 3.28Å; N333-H340 PolarHBondContact ND2-O 2.98Å
334M96.5Very high95.3Very high74 Ų7475.9 Ų75.937%0.36537%0.371SS..Hα-helixtrans-59.9-36.4175.1-79.7-56.2-46.600112.6S330 N331 R338 D339S330-M334 WeakPolarHBondContact O-CG 3.34Å; S330-M334 PolarHBondContact O-N 3.05Å; N331-M334 PolarHBondContact O-N 2.97Å; M334-R338 VanDerWaalsContact O-CA 3.25Å; M334-R338 WeakPolarHBondContact O-CA 3.28Å; M334-R338 PolarHBondContact O-N 2.65Å; M334-R338 VanDerWaalsContact O-N 3.17Å; M334-D339 PolarHBondContact N-O 3.11Å; M334-D339 WeakPolarHBondContact SD-CA 3.22Å
335Q96.3Very high95.4Very high159 Ų15976.2 Ų76.274%0.74337%0.372SS*.Hα-helixtrans-70.1-42.4176.2-70.8170.310.500112.8N331 K332 N333N331-Q335 WeakPolarHBondContact O-CG 3.19Å; N331-Q335 PolarHBondContact O-N 3.16Å; N331-Q335 VanDerWaalsContact O-N 3.11Å; K332-Q335 PolarHBondContact O-N 3.1Å; N333-Q335 VanDerWaalsContact C-N 3.26Å; N333-Q335 PolarHBondContact O-N 3.01Å
336L94.8Very high95.4Very high95 Ų9579.6 Ų79.650%0.49739%0.389SS..Hα-helixtrans-84.4-42.1-174.8-68.1175.1000113.3Y328 K332 N333Y328-L336 HydrophobicContact CD2-CD1 3.66Å; Y328-L336 HydrophobicContact CE2-CD1 3.67Å; K332-L336 HydrophobicContact CD-CD1 4.48Å; K332-L336 HydrophobicContact CG-CD1 3.82Å; K332-L336 HydrophobicContact CG-CG 4.32Å; K332-L336 WeakPolarHBondContact O-CB 3.37Å; K332-L336 WeakPolarHBondContact O-CG 3.46Å; K332-L336 PolarHBondContact O-N 3.29Å; N333-L336 PolarHBondContact O-N 3.45Å
337Y95.6Very high95.5Very high59 Ų5977.8 Ų77.823%0.23138%0.382CS..Hα-helixtrans-113.2-10-168.5-51.9-48000113.6P325 Y326 Y328 N333 D339 P342P325-Y337 HydrophobicContact CB-CE1 4.28Å; Y326-Y337 PolarHBondContact O-OH 2.8Å; Y326-Y337 VanDerWaalsContact O-OH 3.05Å; Y328-Y337 HydrophobicContact CD2-CE2 4.44Å; N333-Y337 HydrophobicContact CB-CD2 4.03Å; N333-Y337 WeakPolarHBondContact O-CA 3.4Å; N333-Y337 WeakPolarHBondContact O-CB 3.41Å; N333-Y337 PolarHBondContact O-N 3.44Å; Y337-D339 PolarHBondContact O-N 3.11Å; Y337-P342 HydrophobicContact CD2-CB 3.79Å; Y337-P342 HydrophobicContact CE2-CB 3.67Å; Y337-P342 HydrophobicContact CE2-CG 4.46Å; Y337-P342 HydrophobicContact CG-CB 4.33Å
338R96Very high95.6Very high220 Ų22079.4 Ų79.483%0.8339%0.393SS*.SBendtrans58.923.2-172.4-52.5-179-179.9-177.4-0.1113.8N333 M334N333-R338 PolarHBondContact O-N 2.74Å; M334-R338 VanDerWaalsContact O-CA 3.25Å; M334-R338 WeakPolarHBondContact O-CA 3.28Å; M334-R338 PolarHBondContact O-N 2.65Å; M334-R338 VanDerWaalsContact O-N 3.17Å
339D95.1Very high95.9Very high88 Ų8880 Ų8047%0.47140%0.4SS..SBendtrans-148.1158.5176.7-163.1-27.5000108.4N333 M334 Y337 L341N333-D339 CarbonylContact C-O 3.08Å; N333-D339 WeakPolarHBondContact CB-O 3.04Å; M334-D339 PolarHBondContact N-O 3.11Å; M334-D339 WeakPolarHBondContact SD-CA 3.22Å; Y337-D339 PolarHBondContact O-N 3.11Å; D339-L341 WeakPolarHBondContact CB-O 3.28Å; D339-L341 PolarHBondContact O-N 3.34Å; D339-L341 PolarHBondContact OD1-N 3.11Å
340H94.2Very high96.2Very high109 Ų10976.4 Ų76.451%0.50538%0.375SS..SBendtrans-68.6-20.9175.4-65-61.1000112.4S330 N333S330-H340 PolarHBondContact OG-ND1 3.05Å; N333-H340 WeakPolarHBondContact CB-O 3.28Å; N333-H340 PolarHBondContact ND2-O 2.98Å
341L92.9Very high96.6Very high85 Ų8577.1 Ų77.145%0.44538%0.377SS..SBendtrans-121.9144.9176.5-63.5176.7000111D339D339-L341 WeakPolarHBondContact CB-O 3.28Å; D339-L341 PolarHBondContact O-N 3.34Å; D339-L341 PolarHBondContact OD1-N 3.11Å
342P95.9Very high96.7Very high7 Ų771.4 Ų71.45%0.04535%0.347CS..PPolyproline II helixtrans-61.9142.1171.724.7-31.9000111.2R322 A324 P325 Y337R322-P342 PolarHBondContact NH2-O 3.12Å; A324-P342 HydrophobicContact CB-CB 4.15Å; A324-P342 HydrophobicContact CB-CG 3.99Å; P325-P342 HydrophobicContact CB-CB 4.23Å; P325-P342 WeakPolarHBondContact O-CB 3.2Å; P325-P342 WeakPolarHBondContact O-CG 3.47Å; Y337-P342 HydrophobicContact CD2-CB 3.79Å; Y337-P342 HydrophobicContact CE2-CB 3.67Å; Y337-P342 HydrophobicContact CE2-CG 4.46Å; Y337-P342 HydrophobicContact CG-CB 4.33Å
343P96.2Very high96.9Very high75 Ų7569.9 Ų69.949%0.48735%0.345SS..PPolyproline II helixtrans-64.7146.3173.828.5-35000110A324 P325A324-P343 WeakPolarHBondContact CB-O 3.34Å; P325-P343 WeakPolarHBondContact CD-O 3.26Å
344R97.7Very high97Very high142 Ų14269.9 Ų69.954%0.53635%0.345SS..PPolyproline II helixtrans-67.4147175.7-68.5-176.2174.4112.3-7110.1F323 N346F323-R344 WeakPolarHBondContact O-CA 3.49Å; R344-N346 PolarHBondContact O-N 3.31Å
345Y98.4Very high97.1Very high11 Ų1167 Ų674%0.04333%0.331CS..PPolyproline II helixtrans-62.6134.7165.1-61.5-70.8000109.1W167 H168 V205 M209 F323 A324 P325 L347W167-Y345 AromaticContact CH2-CE2 3.71Å; W167-Y345 HydrophobicContact CH2-CE2 3.71Å; W167-Y345 HydrophobicContact CZ3-CD2 4.49Å; W167-Y345 AromaticContact CZ3-CE2 3.47Å; W167-Y345 HydrophobicContact CZ3-CE2 3.47Å; W167-Y345 VanDerWaalsContact CZ3-CE2 3.47Å; W167-Y345 AromaticContact CZ3-CZ 3.86Å; W167-Y345 WeakPolarHBondContact CZ3-OH 3.34Å; H168-Y345 AromaticContact ND1-CE1 3.71Å; H168-Y345 AromaticContact ND1-CZ 3.63Å; H168-Y345 PolarHBondContact ND1-OH 3.04Å; V205-Y345 HydrophobicContact CB-CE1 4.44Å; V205-Y345 HydrophobicContact CG1-CE1 3.88Å; V205-Y345 HydrophobicContact CG2-CD1 4.48Å; V205-Y345 HydrophobicContact CG2-CD2 4.29Å; V205-Y345 HydrophobicContact CG2-CE1 4.04Å; V205-Y345 HydrophobicContact CG2-CE2 3.82Å; M209-Y345 HydrophobicContact CG-CD1 3.71Å; M209-Y345 HydrophobicContact CG-CE1 3.69Å; M209-Y345 HydrophobicContact SD-CD1 3.65Å; M209-Y345 HydrophobicContact SD-CE1 3.77Å; F323-Y345 AromaticContact CD1-CD2 3.51Å; F323-Y345 HydrophobicContact CD1-CD2 3.51Å; F323-Y345 HydrophobicContact CD1-CE2 4.44Å; F323-Y345 HydrophobicContact CD1-CG 4.17Å; F323-Y345 HydrophobicContact CD2-CD2 4.25Å; F323-Y345 HydrophobicContact CD2-CE2 4.5Å; F323-Y345 AromaticContact CE1-CD2 3.53Å; F323-Y345 HydrophobicContact CE1-CD2 3.53Å; F323-Y345 HydrophobicContact CE1-CE2 4.27Å; F323-Y345 HydrophobicContact CE1-CG 4.09Å; F323-Y345 HydrophobicContact CE2-CD2 4.23Å; F323-Y345 HydrophobicContact CE2-CE2 4.28Å; F323-Y345 AromaticContact CG-CD2 3.88Å; F323-Y345 HydrophobicContact CG-CD2 3.88Å; F323-Y345 AromaticContact CZ-CD2 3.91Å; F323-Y345 HydrophobicContact CZ-CD2 3.91Å; F323-Y345 HydrophobicContact CZ-CE2 4.19Å; F323-Y345 WeakPolarHBondContact O-CD2 3.22Å; F323-Y345 PolarHBondContact O-N 3.44Å; A324-Y345 WeakPolarHBondContact O-CE2 3.35Å; P325-Y345 WeakPolarHBondContact CA-OH 3.44Å; P325-Y345 HydrophobicContact CG-CE1 3.81Å; P325-Y345 HydrophobicContact CG-CE2 4.47Å; Y345-L347 PolarHBondContact O-N 3.24Å
346N98.3Very high97.2Very high83 Ų8359.5 Ų59.544%0.44430%0.295SS..  trans-84.193.3176.9-172.54.5000109.9S208 R344 S348 L349S208-N346 WeakPolarHBondContact CB-O 3.49Å; R344-N346 PolarHBondContact O-N 3.31Å; N346-S348 PolarHBondContact ND2-OG 3.47Å; N346-S348 PolarHBondContact O-N 3.1Å; N346-S348 WeakPolarHBondContact OD1-CB 3.33Å; N346-S348 PolarHBondContact OD1-N 3.32Å; N346-S348 PolarHBondContact OD1-OG 3.14Å; N346-L349 HydrophobicContact CB-CD1 4.02Å; N346-L349 HydrophobicContact CB-CG 4.13Å; N346-L349 WeakPolarHBondContact O-CB 3.33Å; N346-L349 PolarHBondContact O-N 2.96Å; N346-L349 VanDerWaalsContact O-N 3.11Å
347L98.6Very high97.4Very high3 Ų355 Ų552%0.01627%0.272CS..G310 helixtrans-65.6-17.5-180-67.1-175.2000113.3F204 V227 F323 Y345 L349 V350 M373 D376 L377 G378F204-L347 HydrophobicContact CB-CD2 3.9Å; V227-L347 HydrophobicContact CG1-CD1 4.1Å; F323-L347 HydrophobicContact CD1-CD1 4.42Å; F323-L347 HydrophobicContact CD1-CD2 3.96Å; F323-L347 HydrophobicContact CD1-CG 4.37Å; F323-L347 HydrophobicContact CE1-CD2 3.9Å; Y345-L347 PolarHBondContact O-N 3.24Å; L347-L349 PolarHBondContact O-N 3.03Å; L347-L349 VanDerWaalsContact O-N 3.14Å; L347-V350 HydrophobicContact CD2-CG2 4.21Å; L347-V350 WeakPolarHBondContact O-CB 3.41Å; L347-V350 WeakPolarHBondContact O-CG2 3.5Å; L347-V350 PolarHBondContact O-N 2.74Å; L347-M373 HydrophobicContact CD1-CG 4.17Å; L347-D376 CarbonylContact C-O 3.57Å; L347-D376 HydrophobicContact CB-CB 4.06Å; L347-D376 VanDerWaalsContact CB-O 3.3Å; L347-D376 WeakPolarHBondContact CB-O 3.33Å; L347-D376 HydrophobicContact CD1-CB 4.09Å; L347-L377 HydrophobicContact CB-CD2 4.27Å; L347-L377 HydrophobicContact CD2-CD2 4.39Å; L347-G378 PolarHBondContact O-N 3.48Å; L347-G378 VanDerWaalsContact O-N 3.13Å
348S98.5Very high97.6Very high63 Ų6352.9 Ų52.944%0.44126%0.264SS..G310 helixtrans-65.1-17.1173.591.80000112.5N346 V350 D376N346-S348 PolarHBondContact ND2-OG 3.47Å; N346-S348 PolarHBondContact O-N 3.1Å; N346-S348 WeakPolarHBondContact OD1-CB 3.33Å; N346-S348 PolarHBondContact OD1-N 3.32Å; N346-S348 PolarHBondContact OD1-OG 3.14Å; S348-V350 VanDerWaalsContact C-N 3.33Å; S348-D376 PolarHBondContact N-O 3.32Å; S348-D376 VanDerWaalsContact N-O 3.08Å
349L98.7Very high97.6Very high69 Ų6942.4 Ų42.436%0.36122%0.224SC..G310 helixtrans-83.4-8.7175-60.8178.5000113S208 P211 N214 N346 L347 T351S208-L349 WeakPolarHBondContact O-CD1 3.34Å; P211-L349 HydrophobicContact CG-CB 4.43Å; P211-L349 HydrophobicContact CG-CD1 4.17Å; N214-L349 PolarHBondContact ND2-O 2.79Å; N214-L349 PolarHBondContact OD1-O 3.48Å; N346-L349 HydrophobicContact CB-CD1 4.02Å; N346-L349 HydrophobicContact CB-CG 4.13Å; N346-L349 WeakPolarHBondContact O-CB 3.33Å; N346-L349 PolarHBondContact O-N 2.96Å; N346-L349 VanDerWaalsContact O-N 3.11Å; L347-L349 PolarHBondContact O-N 3.03Å; L347-L349 VanDerWaalsContact O-N 3.14Å; L349-T351 PolarHBondContact O-N 2.79Å; L349-T351 VanDerWaalsContact O-N 3.16Å
350V98.8Very high97.6Very high1 Ų141.5 Ų41.51%0.00622%0.222CC..  trans-79.394.6170.8-1730000108.2F204 C207 L347 S348 L377 G378 N379F204-V350 HydrophobicContact CB-CG2 4.43Å; F204-V350 HydrophobicContact CD1-CG1 3.85Å; F204-V350 HydrophobicContact CD1-CG2 4.22Å; F204-V350 HydrophobicContact CE1-CG1 4.19Å; C207-V350 HydrophobicContact CB-CB 4.24Å; C207-V350 HydrophobicContact CB-CG1 4.02Å; C207-V350 HydrophobicContact CB-CG2 3.87Å; L347-V350 HydrophobicContact CD2-CG2 4.21Å; L347-V350 WeakPolarHBondContact O-CB 3.41Å; L347-V350 WeakPolarHBondContact O-CG2 3.5Å; L347-V350 PolarHBondContact O-N 2.74Å; S348-V350 VanDerWaalsContact C-N 3.33Å; V350-L377 HydrophobicContact CB-CD2 3.77Å; V350-L377 HydrophobicContact CG1-CD2 3.93Å; V350-L377 HydrophobicContact CG2-CD2 4.02Å; V350-G378 CarbonylContact O-C 3.58Å; V350-G378 WeakPolarHBondContact O-CA 3.36Å; V350-G378 PolarHBondContact O-N 2.68Å; V350-G378 VanDerWaalsContact O-N 3.17Å; V350-N379 PolarHBondContact O-N 2.68Å
351T98.6Very high97.7Very high72 Ų7238.1 Ų38.144%0.44221%0.207SC..  trans-102.3-5.3-175.253.40000113.2N214 L349 N379N214-T351 VanDerWaalsContact CB-OG1 3.27Å; N214-T351 WeakPolarHBondContact CB-OG1 3.29Å; N214-T351 PolarHBondContact OD1-N 3.06Å; N214-T351 PolarHBondContact OD1-OG1 3.03Å; L349-T351 PolarHBondContact O-N 2.79Å; L349-T351 VanDerWaalsContact O-N 3.16Å; T351-N379 WeakPolarHBondContact O-CB 3.34Å; T351-N379 PolarHBondContact O-ND2 3.08Å
352V98.7Very high97.7Very high2 Ų234.2 Ų34.21%0.01219%0.187CC..SBendtrans-58.6130.8171.4179.60000110F203 N214 V217 M220 T354F203-V352 HydrophobicContact CE1-CB 4.4Å; F203-V352 HydrophobicContact CE1-CG2 4.47Å; F203-V352 HydrophobicContact CZ-CB 4.26Å; F203-V352 HydrophobicContact CZ-CG1 4.19Å; F203-V352 HydrophobicContact CZ-CG2 4.05Å; N214-V352 HydrophobicContact CB-CG2 3.95Å; N214-V352 WeakPolarHBondContact OD1-CG2 3.27Å; N214-V352 PolarHBondContact OD1-N 3.45Å; V217-V352 HydrophobicContact CB-CG1 4.01Å; V217-V352 HydrophobicContact CB-CG2 3.91Å; V217-V352 HydrophobicContact CG1-CG1 3.7Å; V217-V352 HydrophobicContact CG1-CG2 4.43Å; M220-V352 HydrophobicContact CB-CG1 3.93Å; V352-T354 PolarHBondContact O-N 3.38Å; V352-T354 PolarHBondContact O-OG1 3.27Å
353P98.7Very high97.5Very high49 Ų4935.8 Ų35.832%0.31820%0.195SC..  trans-52.3109.1171.5-27.535.8000111.4S219 M220 T381S219-P353 WeakPolarHBondContact CA-O 3.44Å; M220-P353 PolarHBondContact N-O 2.96Å; P353-T381 HydrophobicContact CB-CG2 3.71Å
354T98.8Very high97.3Very high1 Ų134.8 Ų34.81%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-111.2127.9-172.5-62.50000110.6F204 M220 A222 V352 V356 L377 N379 T381F204-T354 HydrophobicContact CE1-CG2 4.33Å; F204-T354 HydrophobicContact CZ-CG2 4.31Å; M220-T354 HydrophobicContact CB-CG2 4.35Å; M220-T354 HydrophobicContact CG-CG2 3.94Å; M220-T354 CarbonylContact O-C 3.33Å; M220-T354 WeakPolarHBondContact O-CA 3.37Å; A222-T354 HydrophobicContact CB-CG2 4.27Å; V352-T354 PolarHBondContact O-N 3.38Å; V352-T354 PolarHBondContact O-OG1 3.27Å; T354-V356 HydrophobicContact CG2-CG2 3.89Å; T354-L377 HydrophobicContact CG2-CD1 4.28Å; T354-N379 PolarHBondContact N-O 2.76Å; T354-T381 PolarHBondContact O-N 3.09Å; T354-T381 PolarHBondContact O-OG1 3.42Å
355F98.8Very high97.1Very high15 Ų1528 Ų287%0.06616%0.16CC..EExtended strand (participates in β ladder)trans-113.4127.1170.9-160.2-73.5000109.1M220 A222 Y357 G382 V413M220-F355 PolarHBondContact O-N 3.46Å; A222-F355 PolarHBondContact N-O 2.8Å; F355-Y357 HydrophobicContact CB-CE2 4.36Å; F355-Y357 HydrophobicContact CD1-CD1 4.43Å; F355-Y357 HydrophobicContact CD1-CD2 4.21Å; F355-Y357 AromaticContact CD1-CE1 3.82Å; F355-Y357 HydrophobicContact CD1-CE1 3.82Å; F355-Y357 AromaticContact CD1-CE2 3.58Å; F355-Y357 HydrophobicContact CD1-CE2 3.58Å; F355-Y357 AromaticContact CD1-CZ 3.34Å; F355-Y357 WeakPolarHBondContact CD1-OH 3.43Å; F355-Y357 HydrophobicContact CE1-CD1 4.36Å; F355-Y357 AromaticContact CE1-CE1 3.79Å; F355-Y357 HydrophobicContact CE1-CE1 3.79Å; F355-Y357 HydrophobicContact CE1-CE2 4.38Å; F355-Y357 AromaticContact CE1-CZ 3.79Å; F355-Y357 HydrophobicContact CG-CE2 4.38Å; F355-G382 WeakPolarHBondContact CA-O 3.38Å; F355-V413 HydrophobicContact CB-CG1 4.07Å; F355-V413 HydrophobicContact CD1-CG2 4.32Å; F355-V413 HydrophobicContact CD2-CB 4.36Å; F355-V413 HydrophobicContact CD2-CG1 3.55Å; F355-V413 HydrophobicContact CD2-CG2 3.81Å; F355-V413 HydrophobicContact CE1-CG2 4.06Å; F355-V413 HydrophobicContact CE2-CB 4.5Å; F355-V413 HydrophobicContact CE2-CG1 4.12Å; F355-V413 HydrophobicContact CE2-CG2 3.5Å; F355-V413 HydrophobicContact CG-CG1 3.81Å; F355-V413 HydrophobicContact CG-CG2 4.2Å; F355-V413 HydrophobicContact CZ-CG2 3.65Å
356V98.9Very high96.9Very high0 Ų030.3 Ų30.30%017%0.171CC..EExtended strand (participates in β ladder)trans-109.1130.3-168.9-177.10000111.5A222 P225 T354 Y358 V370 M373 G382 K383 Y384A222-V356 HydrophobicContact CB-CG2 4.27Å; P225-V356 HydrophobicContact CG-CG1 3.86Å; T354-V356 HydrophobicContact CG2-CG2 3.89Å; V356-Y358 HydrophobicContact CG1-CD1 4.38Å; V356-V370 HydrophobicContact CG1-CG1 3.6Å; V356-M373 HydrophobicContact CG1-CE 4.25Å; V356-M373 HydrophobicContact CG2-CE 4.21Å; V356-G382 PolarHBondContact N-O 2.94Å; V356-K383 HydrophobicContact CB-CG 4.37Å; V356-K383 CarbonylContact O-C 3.5Å; V356-K383 VanDerWaalsContact O-CA 3.3Å; V356-K383 WeakPolarHBondContact O-CA 3.43Å; V356-Y384 PolarHBondContact O-N 2.86Å
357Y98.8Very high96.8Very high0 Ų027.5 Ų27.50%016%0.157CC..EExtended strand (participates in β ladder)trans-118129.1176.8-50.6-100.4000109Q221 A222 L223 A224 F355 Y384 L406 R409 M410Q221-Y357 HydrophobicContact CB-CE2 4.11Å; Q221-Y357 VanDerWaalsContact OE1-CE2 3.28Å; Q221-Y357 PolarHBondContact OE1-OH 3.41Å; A222-Y357 PolarHBondContact O-N 3.44Å; L223-Y357 HydrophobicContact CD2-CD2 3.56Å; L223-Y357 HydrophobicContact CD2-CE2 4.22Å; L223-Y357 HydrophobicContact CD2-CG 3.86Å; A224-Y357 PolarHBondContact N-O 3.5Å; F355-Y357 HydrophobicContact CB-CE2 4.36Å; F355-Y357 HydrophobicContact CD1-CD1 4.43Å; F355-Y357 HydrophobicContact CD1-CD2 4.21Å; F355-Y357 AromaticContact CD1-CE1 3.82Å; F355-Y357 HydrophobicContact CD1-CE1 3.82Å; F355-Y357 AromaticContact CD1-CE2 3.58Å; F355-Y357 HydrophobicContact CD1-CE2 3.58Å; F355-Y357 AromaticContact CD1-CZ 3.34Å; F355-Y357 WeakPolarHBondContact CD1-OH 3.43Å; F355-Y357 HydrophobicContact CE1-CD1 4.36Å; F355-Y357 AromaticContact CE1-CE1 3.79Å; F355-Y357 HydrophobicContact CE1-CE1 3.79Å; F355-Y357 HydrophobicContact CE1-CE2 4.38Å; F355-Y357 AromaticContact CE1-CZ 3.79Å; F355-Y357 HydrophobicContact CG-CE2 4.38Å; Y357-Y384 WeakPolarHBondContact CA-O 3.49Å; Y357-Y384 AromaticContact CD1-CD1 3.86Å; Y357-Y384 HydrophobicContact CD1-CD1 3.86Å; Y357-Y384 HydrophobicContact CD1-CG 4.3Å; Y357-L406 HydrophobicContact CD1-CD1 4.47Å; Y357-L406 HydrophobicContact CD1-CD2 4.46Å; Y357-L406 HydrophobicContact CD1-CG 4.15Å; Y357-R409 HydrophobicContact CE1-CG 4.42Å; Y357-M410 HydrophobicContact CE1-CB 4.05Å; Y357-M410 VanDerWaalsContact OH-CA 3.26Å; Y357-M410 WeakPolarHBondContact OH-CA 3.28Å
358Y98.4Very high96.7Very high16 Ų1633.1 Ų33.16%0.06318%0.181CC..EExtended strand (participates in β ladder)trans-153.9163.8-172.863.7-59.3000109.7V356 P367 V370 E371 K383 Y384 L385 V386V356-Y358 HydrophobicContact CG1-CD1 4.38Å; Y358-P367 HydrophobicContact CD2-CB 4.06Å; Y358-P367 HydrophobicContact CE2-CB 4.08Å; Y358-V370 HydrophobicContact CD1-CG1 4.3Å; Y358-V370 HydrophobicContact CD2-CB 4.1Å; Y358-V370 HydrophobicContact CD2-CG1 4.01Å; Y358-V370 HydrophobicContact CG-CB 4.35Å; Y358-V370 HydrophobicContact CG-CG1 3.85Å; Y358-E371 HydrophobicContact CE2-CG 4.48Å; Y358-E371 VanDerWaalsContact CZ-OE1 3.27Å; Y358-E371 PolarHBondContact OH-OE1 2.85Å; Y358-K383 HydrophobicContact CE1-CB 4.04Å; Y358-Y384 WeakPolarHBondContact CD1-O 3.4Å; Y358-Y384 PolarHBondContact N-O 2.9Å; Y358-Y384 VanDerWaalsContact N-O 3.11Å; Y358-L385 HydrophobicContact CD2-CD1 3.77Å; Y358-L385 HydrophobicContact CE1-CB 4.02Å; Y358-L385 HydrophobicContact CE2-CB 4.37Å; Y358-L385 HydrophobicContact CE2-CD1 3.73Å; Y358-L385 HydrophobicContact CG-CD1 4.27Å; Y358-L385 CarbonylContact O-C 3.59Å; Y358-L385 WeakPolarHBondContact O-CA 3.49Å; Y358-V386 PolarHBondContact O-N 3.43Å
359S97.6Very high96.7Very high0 Ų030.5 Ų30.50%016%0.162CC..  trans-142.2162.2-174.967.20000112.1P367 F391S359-P367 WeakPolarHBondContact O-CG 3.38Å; S359-F391 WeakPolarHBondContact CB-O 3.48Å; S359-F391 PolarHBondContact OG-O 2.88Å
360T95Very high96.6Very high68 Ų6827.2 Ų27.242%0.41715%0.145SC..THydrogen-bonded Turntrans-78.6-28.1-174.347.60000114.4L385 K389T360-L385 HydrophobicContact CG2-CD1 4.01Å; T360-L385 HydrophobicContact CG2-CD2 4.16Å; T360-L385 HydrophobicContact CG2-CG 4.44Å; T360-K389 WeakPolarHBondContact OG1-CA 3.46Å; T360-K389 PolarHBondContact OG1-O 2.81Å
361N94.5Very high96.6Very high39 Ų3929.8 Ų29.821%0.20916%0.157CC..THydrogen-bonded Turntrans-100.420.8-179.4-17249.3000112.2G284 R285 L363 K389 E390G284-N361 WeakPolarHBondContact CA-O 3.47Å; R285-N361 PolarHBondContact O-ND2 3.11Å; N361-L363 PolarHBondContact O-N 3.36Å; N361-K389 WeakPolarHBondContact CB-O 3.45Å; N361-E390 PolarHBondContact ND2-O 3.34Å
362D94.3Very high96.5Very high3 Ų329 Ų292%0.01615%0.154CC..  trans-83.2109.2169.2-171.4-26.3000109.9A224 L364 C365 H393A224-D362 WeakPolarHBondContact CB-OD2 3.4Å; D362-L364 VanDerWaalsContact C-N 3.29Å; D362-L364 WeakPolarHBondContact OD1-CA 3.35Å; D362-L364 PolarHBondContact OD1-N 3.17Å; D362-C365 PolarHBondContact OD1-N 3.46Å; D362-C365 WeakPolarHBondContact OD2-CB 3.33Å; D362-H393 VanDerWaalsContact CG-ND1 3.31Å; D362-H393 WeakPolarHBondContact OD1-CB 3.39Å; D362-H393 IonicContact OD1-CG 3.56Å; D362-H393 IonicContact OD1-ND1 3.5Å; D362-H393 PolarHBondContact OD1-ND1 2.91Å; D362-H393 VanDerWaalsContact OD1-ND1 3.17Å; D362-H393 IonicContact OD2-CE1 2.85Å; D362-H393 IonicContact OD2-CG 3.42Å; D362-H393 IonicContact OD2-ND1 3.61Å; D362-H393 PolarHBondContact OD2-ND1 3.46Å
363L91.3Very high96.5Very high40 Ų4028.9 Ų28.921%0.20915%0.154CC..SBendtrans-82.5-6.3-177.8-58.4173.8000113.5T232 I282 N361T232-L363 WeakPolarHBondContact CG2-O 3.42Å; I282-L363 WeakPolarHBondContact O-CB 3.44Å; N361-L363 PolarHBondContact O-N 3.36Å
364L91.7Very high96.5Very high54 Ų5427 Ų2728%0.28314%0.142SC..SBendtrans-102.7-33.6177.9-65.9169.9000111.7I238 I282 V283 D362 H393I238-L364 HydrophobicContact CD1-CD2 3.69Å; I282-L364 WeakPolarHBondContact O-CG 3.42Å; V283-L364 HydrophobicContact CG1-CD1 4.4Å; D362-L364 VanDerWaalsContact C-N 3.29Å; D362-L364 WeakPolarHBondContact OD1-CA 3.35Å; D362-L364 PolarHBondContact OD1-N 3.17Å; L364-H393 HydrophobicContact CD1-CB 4.41Å
365C94.1Very high96.5Very high0 Ų033.2 Ų33.20%018%0.175CC..SBendtrans-123.973.5-178.4-52.80000110.2A224 D362 V370 H393A224-C365 PolarHBondContact O-SG 3.07Å; D362-C365 PolarHBondContact OD1-N 3.46Å; D362-C365 WeakPolarHBondContact OD2-CB 3.33Å; C365-V370 HydrophobicContact CB-CG2 4.16Å; C365-H393 VanDerWaalsContact SG-CE1 3.55Å
366H94.5Very high96.4Very high59 Ų5936.3 Ų36.327%0.27319%0.192SC..  trans-59.4138.8-177.6-175.9-91.3000111.3E231 T232 K368 D369 V370E231-H366 HydrophobicContact CB-CB 3.96Å; T232-H366 HydrophobicContact CG2-CB 3.94Å; H366-K368 VanDerWaalsContact C-N 3.31Å; H366-K368 PolarHBondContact ND1-N 2.9Å; H366-K368 PolarHBondContact O-N 3.41Å; H366-K368 VanDerWaalsContact O-N 3.12Å; H366-D369 WeakPolarHBondContact O-CB 3.48Å; H366-D369 PolarHBondContact O-N 3.36Å; H366-V370 PolarHBondContact O-N 3.47Å; H366-V370 VanDerWaalsContact O-N 3.14Å
367P96.1Very high96.4Very high24 Ų2437 Ų3716%0.15620%0.196CC..Hα-helixtrans-51.2-43.2-174.8-31.735.2000115Y358 S359 D369 V370 E371Y358-P367 HydrophobicContact CD2-CB 4.06Å; Y358-P367 HydrophobicContact CE2-CB 4.08Å; S359-P367 WeakPolarHBondContact O-CG 3.38Å; P367-D369 VanDerWaalsContact C-N 3.31Å; P367-D369 PolarHBondContact O-N 3.45Å; P367-V370 WeakPolarHBondContact O-CB 3.48Å; P367-V370 PolarHBondContact O-N 2.89Å; P367-E371 VanDerWaalsContact O-CG 3.27Å; P367-E371 WeakPolarHBondContact O-CG 3.09Å; P367-E371 PolarHBondContact O-N 2.79Å
368K96.5Very high96.4Very high120 Ų12039 Ų3952%0.52222%0.216SC..Hα-helixtrans-63.9-33.9178.1-65.5177.8-168.7167.20113.7E231 H366 E371 S372E231-K368 HydrophobicContact CG-CB 4.08Å; E231-K368 HydrophobicContact CG-CD 4.17Å; E231-K368 WeakPolarHBondContact OE2-CD 3.49Å; E231-K368 IonicContact OE2-NZ 3.3Å; E231-K368 PolarHBondContact OE2-NZ 2.85Å; H366-K368 VanDerWaalsContact C-N 3.31Å; H366-K368 PolarHBondContact ND1-N 2.9Å; H366-K368 PolarHBondContact O-N 3.41Å; H366-K368 VanDerWaalsContact O-N 3.12Å; K368-E371 PolarHBondContact O-N 3.24Å; K368-S372 WeakPolarHBondContact O-CB 3.14Å; K368-S372 PolarHBondContact O-N 3.2Å; K368-S372 PolarHBondContact O-OG 2.87Å
369D97Very high96.4Very high8 Ų841 Ų414%0.04323%0.228CC..Hα-helixtrans-68.3-40.9176.1-76.6-48.7000109.6Y228 A229 K230 E231 H366 P367 S372 M373Y228-D369 WeakPolarHBondContact O-CB 3.4Å; A229-D369 WeakPolarHBondContact CA-OD2 3.24Å; K230-D369 PolarHBondContact N-OD1 3.49Å; K230-D369 PolarHBondContact N-OD2 2.9Å; E231-D369 WeakPolarHBondContact CB-OD2 3.44Å; E231-D369 PolarHBondContact N-OD1 3.34Å; E231-D369 PolarHBondContact N-OD2 3.32Å; H366-D369 WeakPolarHBondContact O-CB 3.48Å; H366-D369 PolarHBondContact O-N 3.36Å; P367-D369 VanDerWaalsContact C-N 3.31Å; P367-D369 PolarHBondContact O-N 3.45Å; D369-S372 PolarHBondContact O-N 3.03Å; D369-M373 WeakPolarHBondContact O-CB 3.43Å; D369-M373 PolarHBondContact O-N 2.76Å
370V98Very high96.4Very high1 Ų143.4 Ų43.41%0.00624%0.243CC..Hα-helixtrans-63.3-43.1173.9178.80000111.6P225 V356 Y358 C365 H366 P367 M373 C374P225-V370 HydrophobicContact CG-CG1 3.94Å; P225-V370 HydrophobicContact CG-CG2 4.19Å; V356-V370 HydrophobicContact CG1-CG1 3.6Å; Y358-V370 HydrophobicContact CD1-CG1 4.3Å; Y358-V370 HydrophobicContact CD2-CB 4.1Å; Y358-V370 HydrophobicContact CD2-CG1 4.01Å; Y358-V370 HydrophobicContact CG-CB 4.35Å; Y358-V370 HydrophobicContact CG-CG1 3.85Å; C365-V370 HydrophobicContact CB-CG2 4.16Å; H366-V370 PolarHBondContact O-N 3.47Å; H366-V370 VanDerWaalsContact O-N 3.14Å; P367-V370 WeakPolarHBondContact O-CB 3.48Å; P367-V370 PolarHBondContact O-N 2.89Å; V370-M373 HydrophobicContact CG1-CE 4.21Å; V370-M373 WeakPolarHBondContact O-CB 3.24Å; V370-M373 PolarHBondContact O-N 3.33Å; V370-C374 PolarHBondContact O-N 3Å; V370-C374 PolarHBondContact O-SG 2.99Å
371E98Very high96.6Very high54 Ų5444 Ų4425%0.25225%0.246SC..Hα-helixtrans-62.3-46176.3-67.1-65.6176.500111.4Y358 P367 K368 M373 C374 D375 K383Y358-E371 HydrophobicContact CE2-CG 4.48Å; Y358-E371 VanDerWaalsContact CZ-OE1 3.27Å; Y358-E371 PolarHBondContact OH-OE1 2.85Å; P367-E371 VanDerWaalsContact O-CG 3.27Å; P367-E371 WeakPolarHBondContact O-CG 3.09Å; P367-E371 PolarHBondContact O-N 2.79Å; K368-E371 PolarHBondContact O-N 3.24Å; E371-M373 VanDerWaalsContact C-N 3.28Å; E371-M373 PolarHBondContact O-N 2.66Å; E371-C374 WeakPolarHBondContact O-CA 3.28Å; E371-C374 WeakPolarHBondContact O-CB 3.49Å; E371-C374 PolarHBondContact O-N 2.88Å; E371-D375 PolarHBondContact O-N 2.92Å; E371-K383 IonicContact OE1-NZ 3.94Å; E371-K383 WeakPolarHBondContact OE2-CE 3.49Å; E371-K383 IonicContact OE2-NZ 2.61Å; E371-K383 PolarHBondContact OE2-NZ 3.1Å
372S97.7Very high96.7Very high56 Ų5643 Ų4339%0.39225%0.245SC..Hα-helixtrans-62.1-37.6177.1-55.30000111.7K368 D369 C374 D375 D376K368-S372 WeakPolarHBondContact O-CB 3.14Å; K368-S372 PolarHBondContact O-N 3.2Å; K368-S372 PolarHBondContact O-OG 2.87Å; D369-S372 PolarHBondContact O-N 3.03Å; S372-C374 VanDerWaalsContact C-N 3.34Å; S372-D375 PolarHBondContact O-N 2.92Å; S372-D376 PolarHBondContact O-N 3.29Å
373M98Very high96.9Very high0 Ų047.2 Ų47.20%026%0.263CS..Hα-helixtrans-62.9-41.8172.5176.2-148.567.800111.2F204 P225 V227 Y228 L347 V356 D369 V370 E371 D375 D376 L377F204-M373 HydrophobicContact CD2-SD 4.34Å; F204-M373 HydrophobicContact CE2-SD 3.68Å; F204-M373 HydrophobicContact CZ-SD 4.4Å; P225-M373 HydrophobicContact CB-CE 4.11Å; P225-M373 HydrophobicContact CB-SD 3.72Å; P225-M373 HydrophobicContact CG-CE 3.66Å; P225-M373 HydrophobicContact CG-SD 3.86Å; V227-M373 HydrophobicContact CB-CB 4.47Å; V227-M373 HydrophobicContact CB-CG 3.86Å; V227-M373 HydrophobicContact CB-SD 3.77Å; V227-M373 HydrophobicContact CG1-CG 3.92Å; V227-M373 HydrophobicContact CG1-SD 4.38Å; V227-M373 HydrophobicContact CG2-CG 4.1Å; V227-M373 HydrophobicContact CG2-SD 3.44Å; V227-M373 WeakPolarHBondContact CG2-SD 3.34Å; Y228-M373 HydrophobicContact CD2-CB 3.78Å; Y228-M373 VanDerWaalsContact CE2-CA 3.42Å; Y228-M373 HydrophobicContact CE2-CB 3.99Å; Y228-M373 HydrophobicContact CG-CB 4.49Å; L347-M373 HydrophobicContact CD1-CG 4.17Å; V356-M373 HydrophobicContact CG1-CE 4.25Å; V356-M373 HydrophobicContact CG2-CE 4.21Å; D369-M373 WeakPolarHBondContact O-CB 3.43Å; D369-M373 PolarHBondContact O-N 2.76Å; V370-M373 HydrophobicContact CG1-CE 4.21Å; V370-M373 WeakPolarHBondContact O-CB 3.24Å; V370-M373 PolarHBondContact O-N 3.33Å; E371-M373 VanDerWaalsContact C-N 3.28Å; E371-M373 PolarHBondContact O-N 2.66Å; M373-D375 VanDerWaalsContact C-N 3.28Å; M373-D375 PolarHBondContact O-N 2.7Å; M373-D376 PolarHBondContact O-N 2.93Å; M373-L377 HydrophobicContact CE-CD1 3.81Å; M373-L377 HydrophobicContact CG-CD1 4.37Å; M373-L377 HydrophobicContact CG-CG 4.44Å; M373-L377 WeakPolarHBondContact O-CG 3.21Å; M373-L377 PolarHBondContact O-N 3.47Å; M373-L377 VanDerWaalsContact O-N 3.12Å; M373-L377 HydrophobicContact SD-CD1 4.37Å
374C98.5Very high97.3Very high10 Ų1047.7 Ų47.77%0.06826%0.262CS..Hα-helixtrans-62.4-35.7178-66.90000112.4V370 E371 S372 D376 L377 V380 K383V370-C374 PolarHBondContact O-N 3Å; V370-C374 PolarHBondContact O-SG 2.99Å; E371-C374 WeakPolarHBondContact O-CA 3.28Å; E371-C374 WeakPolarHBondContact O-CB 3.49Å; E371-C374 PolarHBondContact O-N 2.88Å; S372-C374 VanDerWaalsContact C-N 3.34Å; C374-D376 PolarHBondContact O-N 3.25Å; C374-L377 PolarHBondContact O-N 3.38Å; C374-V380 HydrophobicContact CB-CG2 4.15Å; C374-V380 WeakPolarHBondContact O-CG2 3.31Å; C374-K383 HydrophobicContact CB-CD 4.07Å
375D98.1Very high97.6Very high130 Ų13048.5 Ų48.570%0.69527%0.267SS*.Hα-helixtrans-65.5-28.7177.2-66.5-22.5000112.5E371 S372 M373E371-D375 PolarHBondContact O-N 2.92Å; S372-D375 PolarHBondContact O-N 2.92Å; M373-D375 VanDerWaalsContact C-N 3.28Å; M373-D375 PolarHBondContact O-N 2.7Å
376D98.1Very high97.7Very high81 Ų8148.6 Ų48.643%0.43327%0.267SS..Hα-helixtrans-91.2-16.7179.7-72-30.1000113.8Y228 L347 S348 S372 M373 C374Y228-D376 WeakPolarHBondContact CE2-OD2 3.39Å; Y228-D376 VanDerWaalsContact CZ-OD2 3.31Å; Y228-D376 PolarHBondContact OH-OD2 3.43Å; L347-D376 CarbonylContact C-O 3.57Å; L347-D376 HydrophobicContact CB-CB 4.06Å; L347-D376 VanDerWaalsContact CB-O 3.3Å; L347-D376 WeakPolarHBondContact CB-O 3.33Å; L347-D376 HydrophobicContact CD1-CB 4.09Å; S348-D376 PolarHBondContact N-O 3.32Å; S348-D376 VanDerWaalsContact N-O 3.08Å; S372-D376 PolarHBondContact O-N 3.29Å; M373-D376 PolarHBondContact O-N 2.93Å; C374-D376 PolarHBondContact O-N 3.25Å
377L98.3Very high97.8Very high14 Ų1450.5 Ų50.57%0.07329%0.285CS..  trans-72.9137.6-179.9-81.2174.9000111.9F204 L347 V350 T354 M373 C374 N379 V380F204-L377 HydrophobicContact CD1-CD2 3.91Å; F204-L377 HydrophobicContact CE1-CD1 4.26Å; F204-L377 HydrophobicContact CE1-CD2 3.87Å; F204-L377 HydrophobicContact CG-CD2 4.4Å; F204-L377 HydrophobicContact CZ-CD1 4.04Å; F204-L377 HydrophobicContact CZ-CD2 4.3Å; L347-L377 HydrophobicContact CB-CD2 4.27Å; L347-L377 HydrophobicContact CD2-CD2 4.39Å; V350-L377 HydrophobicContact CB-CD2 3.77Å; V350-L377 HydrophobicContact CG1-CD2 3.93Å; V350-L377 HydrophobicContact CG2-CD2 4.02Å; T354-L377 HydrophobicContact CG2-CD1 4.28Å; M373-L377 HydrophobicContact CE-CD1 3.81Å; M373-L377 HydrophobicContact CG-CD1 4.37Å; M373-L377 HydrophobicContact CG-CG 4.44Å; M373-L377 WeakPolarHBondContact O-CG 3.21Å; M373-L377 PolarHBondContact O-N 3.47Å; M373-L377 VanDerWaalsContact O-N 3.12Å; M373-L377 HydrophobicContact SD-CD1 4.37Å; C374-L377 PolarHBondContact O-N 3.38Å; L377-N379 VanDerWaalsContact C-N 3.34Å; L377-N379 PolarHBondContact O-N 3.22Å; L377-V380 HydrophobicContact CB-CG2 3.62Å; L377-V380 HydrophobicContact CD1-CG2 3.96Å; L377-V380 HydrophobicContact CG-CG2 4.45Å
378G98.2Very high97.7Very high41 Ų4151.5 Ų51.542%0.42329%0.287SS..SBendtrans-68.9-21.4-176.900000116L347 V350L347-G378 PolarHBondContact O-N 3.48Å; L347-G378 VanDerWaalsContact O-N 3.13Å; V350-G378 CarbonylContact O-C 3.58Å; V350-G378 WeakPolarHBondContact O-CA 3.36Å; V350-G378 PolarHBondContact O-N 2.68Å; V350-G378 VanDerWaalsContact O-N 3.17Å
379N98.3Very high97.7Very high60 Ų6053.2 Ų53.232%0.32130%0.295SS..  trans-154.373.8-176.8-1696.6000114V350 T351 T354 L377V350-N379 PolarHBondContact O-N 2.68Å; T351-N379 WeakPolarHBondContact O-CB 3.34Å; T351-N379 PolarHBondContact O-ND2 3.08Å; T354-N379 PolarHBondContact N-O 2.76Å; L377-N379 VanDerWaalsContact C-N 3.34Å; L377-N379 PolarHBondContact O-N 3.22Å
380V98.5Very high97.6Very high50 Ų5057.2 Ų57.230%0.30331%0.314SS..EExtended strand (participates in β ladder)trans-83.8117.8171.6-176.90000110.1C374 L377 K383C374-V380 HydrophobicContact CB-CG2 4.15Å; C374-V380 WeakPolarHBondContact O-CG2 3.31Å; L377-V380 HydrophobicContact CB-CG2 3.62Å; L377-V380 HydrophobicContact CD1-CG2 3.96Å; L377-V380 HydrophobicContact CG-CG2 4.45Å; V380-K383 HydrophobicContact CG1-CG 4.1Å
381T98.1Very high97.5Very high80 Ų8057.2 Ų57.249%0.49131%0.313SS..EExtended strand (participates in β ladder)trans-91.7-19.6178.757.80000113.8P353 T354P353-T381 HydrophobicContact CB-CG2 3.71Å; T354-T381 PolarHBondContact O-N 3.09Å; T354-T381 PolarHBondContact O-OG1 3.42Å
382G98.1Very high97.4Very high18 Ų1854.7 Ų54.719%0.18630%0.301CS..EExtended strand (participates in β ladder)trans176.1164.3178.600000112.6F355 V356F355-G382 WeakPolarHBondContact CA-O 3.38Å; V356-G382 PolarHBondContact N-O 2.94Å
383K98.2Very high97.4Very high91 Ų9152.3 Ų52.340%0.39628%0.284SS..EExtended strand (participates in β ladder)trans-134145.7-179.6-63.3-178.3-66.4-1700108.8V356 Y358 E371 C374 V380V356-K383 HydrophobicContact CB-CG 4.37Å; V356-K383 CarbonylContact O-C 3.5Å; V356-K383 VanDerWaalsContact O-CA 3.3Å; V356-K383 WeakPolarHBondContact O-CA 3.43Å; Y358-K383 HydrophobicContact CE1-CB 4.04Å; E371-K383 IonicContact OE1-NZ 3.94Å; E371-K383 WeakPolarHBondContact OE2-CE 3.49Å; E371-K383 IonicContact OE2-NZ 2.61Å; E371-K383 PolarHBondContact OE2-NZ 3.1Å; C374-K383 HydrophobicContact CB-CD 4.07Å; V380-K383 HydrophobicContact CG1-CG 4.1Å
384Y98.3Very high97.3Very high50 Ų5053 Ų5320%0.19629%0.287CS..EExtended strand (participates in β ladder)trans-137.8105.1175-179.4-105.9000110.2V356 Y357 Y358 V386 P387 M405 R409V356-Y384 PolarHBondContact O-N 2.86Å; Y357-Y384 WeakPolarHBondContact CA-O 3.49Å; Y357-Y384 AromaticContact CD1-CD1 3.86Å; Y357-Y384 HydrophobicContact CD1-CD1 3.86Å; Y357-Y384 HydrophobicContact CD1-CG 4.3Å; Y358-Y384 WeakPolarHBondContact CD1-O 3.4Å; Y358-Y384 PolarHBondContact N-O 2.9Å; Y358-Y384 VanDerWaalsContact N-O 3.11Å; Y384-V386 HydrophobicContact CD1-CG2 4.2Å; Y384-V386 HydrophobicContact CE1-CB 4.48Å; Y384-V386 HydrophobicContact CE1-CG2 4Å; Y384-P387 VanDerWaalsContact OH-CD 3.32Å; Y384-P387 WeakPolarHBondContact OH-CD 3.4Å; Y384-M405 VanDerWaalsContact CE1-O 3.28Å; Y384-M405 WeakPolarHBondContact CE1-O 3.47Å; Y384-M405 PolarHBondContact OH-O 3.22Å; Y384-R409 HydrophobicContact CD1-CG 4.42Å; Y384-R409 HydrophobicContact CD2-CG 3.95Å; Y384-R409 HydrophobicContact CE1-CB 4.47Å; Y384-R409 HydrophobicContact CE2-CG 4.1Å; Y384-R409 HydrophobicContact CG-CG 4.1Å
385L98.1Very high97.2Very high72 Ų7252.6 Ų52.638%0.37729%0.285SS..EExtended strand (participates in β ladder)trans-78.7115.9167.3-176.466.2000108.1Y358 T360 P387Y358-L385 HydrophobicContact CD2-CD1 3.77Å; Y358-L385 HydrophobicContact CE1-CB 4.02Å; Y358-L385 HydrophobicContact CE2-CB 4.37Å; Y358-L385 HydrophobicContact CE2-CD1 3.73Å; Y358-L385 HydrophobicContact CG-CD1 4.27Å; Y358-L385 CarbonylContact O-C 3.59Å; Y358-L385 WeakPolarHBondContact O-CA 3.49Å; T360-L385 HydrophobicContact CG2-CD1 4.01Å; T360-L385 HydrophobicContact CG2-CD2 4.16Å; T360-L385 HydrophobicContact CG2-CG 4.44Å; L385-P387 WeakPolarHBondContact O-CD 3.46Å
386V97.8Very high97.2Very high2 Ų246.4 Ų46.41%0.01225%0.252CS..  trans-58.9124.7179.4-178.20000109.2Y358 Y384 Q388 F391 F396 M405 L406Y358-V386 PolarHBondContact O-N 3.43Å; Y384-V386 HydrophobicContact CD1-CG2 4.2Å; Y384-V386 HydrophobicContact CE1-CB 4.48Å; Y384-V386 HydrophobicContact CE1-CG2 4Å; V386-Q388 VanDerWaalsContact C-N 3.31Å; V386-Q388 PolarHBondContact O-N 3.41Å; V386-F391 HydrophobicContact CB-CB 4.3Å; V386-F391 HydrophobicContact CB-CD1 4.13Å; V386-F391 HydrophobicContact CB-CG 4.14Å; V386-F391 HydrophobicContact CG1-CB 3.84Å; V386-F391 HydrophobicContact CG1-CD1 4.03Å; V386-F391 HydrophobicContact CG1-CD2 3.72Å; V386-F391 HydrophobicContact CG1-CE1 4.49Å; V386-F391 HydrophobicContact CG1-CE2 4.22Å; V386-F391 HydrophobicContact CG1-CG 3.6Å; V386-F391 HydrophobicContact CG2-CD1 4.01Å; V386-F391 HydrophobicContact CG2-CE1 4.05Å; V386-F391 HydrophobicContact CG2-CG 4.44Å; V386-F396 HydrophobicContact CG2-CZ 4.41Å; V386-M405 HydrophobicContact CG1-CB 4.35Å; V386-L406 HydrophobicContact CG2-CD1 4.05Å
387P95.3Very high97.2Very high99 Ų9942.6 Ų42.664%0.64323%0.232SC*.SBendtrans-66.6-26.1-171.6-26.234.9000115.5Y384 L385 K389Y384-P387 VanDerWaalsContact OH-CD 3.32Å; Y384-P387 WeakPolarHBondContact OH-CD 3.4Å; L385-P387 WeakPolarHBondContact O-CD 3.46Å; P387-K389 PolarHBondContact O-N 3.12Å
388Q94.7Very high97.1Very high44 Ų4442.6 Ų42.621%0.20623%0.231CC..  trans-71.5119.5177.5-177.4-171.157.700109N286 E289 V386 E390 F391 M405N286-Q388 PolarHBondContact ND2-OE1 2.8Å; E289-Q388 PolarHBondContact OE1-NE2 2.97Å; V386-Q388 VanDerWaalsContact C-N 3.31Å; V386-Q388 PolarHBondContact O-N 3.41Å; Q388-E390 VanDerWaalsContact C-N 3.25Å; Q388-E390 PolarHBondContact O-N 3.42Å; Q388-F391 HydrophobicContact CB-CB 4.23Å; Q388-F391 VanDerWaalsContact O-CB 3.32Å; Q388-F391 WeakPolarHBondContact O-CB 3.3Å; Q388-F391 PolarHBondContact O-N 2.91Å; Q388-F391 VanDerWaalsContact O-N 3.17Å; Q388-M405 HydrophobicContact CB-SD 3.94Å; Q388-M405 HydrophobicContact CG-SD 4.42Å; Q388-M405 PolarHBondContact OE1-SD 3.24Å; Q388-M405 VanDerWaalsContact OE1-SD 3.35Å
389K95.4Very high96.9Very high156 Ų15640.7 Ų40.768%0.67821%0.21SC*.THydrogen-bonded Turntrans-65.2-32.6-172.3-71-176.3177.9178.90112.6T360 N361 P387 F391T360-K389 WeakPolarHBondContact OG1-CA 3.46Å; T360-K389 PolarHBondContact OG1-O 2.81Å; N361-K389 WeakPolarHBondContact CB-O 3.45Å; P387-K389 PolarHBondContact O-N 3.12Å; K389-F391 VanDerWaalsContact C-N 3.35Å
390E95.6Very high96.7Very high93 Ų9341.7 Ų41.744%0.43522%0.215SC..THydrogen-bonded Turntrans-81.2-11-179-61.875.1-166.700113.1N286 N361 Q388 N392N286-E390 HydrophobicContact CB-CB 4.4Å; N286-E390 WeakPolarHBondContact CB-O 3.3Å; N286-E390 PolarHBondContact ND2-O 3.09Å; N361-E390 PolarHBondContact ND2-O 3.34Å; Q388-E390 VanDerWaalsContact C-N 3.25Å; Q388-E390 PolarHBondContact O-N 3.42Å; E390-N392 PolarHBondContact O-N 3.44Å; E390-N392 VanDerWaalsContact O-N 3.15Å
391F97.1Very high96.6Very high0 Ų042.9 Ų42.90%022%0.22CC..  trans-58.2119.8-179.4-162.7-83.6000110.7S359 V386 Q388 K389 D395 F396 A399 V402 M405 L406S359-F391 WeakPolarHBondContact CB-O 3.48Å; S359-F391 PolarHBondContact OG-O 2.88Å; V386-F391 HydrophobicContact CB-CB 4.3Å; V386-F391 HydrophobicContact CB-CD1 4.13Å; V386-F391 HydrophobicContact CB-CG 4.14Å; V386-F391 HydrophobicContact CG1-CB 3.84Å; V386-F391 HydrophobicContact CG1-CD1 4.03Å; V386-F391 HydrophobicContact CG1-CD2 3.72Å; V386-F391 HydrophobicContact CG1-CE1 4.49Å; V386-F391 HydrophobicContact CG1-CE2 4.22Å; V386-F391 HydrophobicContact CG1-CG 3.6Å; V386-F391 HydrophobicContact CG2-CD1 4.01Å; V386-F391 HydrophobicContact CG2-CE1 4.05Å; V386-F391 HydrophobicContact CG2-CG 4.44Å; Q388-F391 HydrophobicContact CB-CB 4.23Å; Q388-F391 VanDerWaalsContact O-CB 3.32Å; Q388-F391 WeakPolarHBondContact O-CB 3.3Å; Q388-F391 PolarHBondContact O-N 2.91Å; Q388-F391 VanDerWaalsContact O-N 3.17Å; K389-F391 VanDerWaalsContact C-N 3.35Å; F391-D395 WeakPolarHBondContact CA-OD2 3.37Å; F391-D395 HydrophobicContact CD1-CB 3.75Å; F391-D395 HydrophobicContact CD2-CB 3.7Å; F391-D395 HydrophobicContact CE1-CB 3.65Å; F391-D395 HydrophobicContact CE2-CB 3.6Å; F391-D395 HydrophobicContact CG-CB 3.8Å; F391-D395 HydrophobicContact CZ-CB 3.59Å; F391-D395 WeakPolarHBondContact CZ-O 3.34Å; F391-F396 HydrophobicContact CD1-CD2 4.21Å; F391-F396 AromaticContact CD1-CE2 3.87Å; F391-F396 HydrophobicContact CD1-CE2 3.87Å; F391-F396 HydrophobicContact CD1-CZ 4.23Å; F391-F396 HydrophobicContact CE1-CB 4.49Å; F391-F396 HydrophobicContact CE1-CD1 4.16Å; F391-F396 AromaticContact CE1-CD2 3.56Å; F391-F396 HydrophobicContact CE1-CD2 3.56Å; F391-F396 HydrophobicContact CE1-CE1 4.18Å; F391-F396 AromaticContact CE1-CE2 3.58Å; F391-F396 HydrophobicContact CE1-CE2 3.58Å; F391-F396 AromaticContact CE1-CG 3.84Å; F391-F396 HydrophobicContact CE1-CG 3.84Å; F391-F396 AromaticContact CE1-CZ 3.88Å; F391-F396 HydrophobicContact CE1-CZ 3.88Å; F391-A399 HydrophobicContact CE2-CB 4.23Å; F391-V402 HydrophobicContact CZ-CG2 4.39Å; F391-M405 HydrophobicContact CD2-CE 3.63Å; F391-M405 HydrophobicContact CD2-SD 3.85Å; F391-M405 HydrophobicContact CE2-CB 4.22Å; F391-M405 HydrophobicContact CE2-CE 3.6Å; F391-M405 HydrophobicContact CE2-SD 4.19Å; F391-L406 HydrophobicContact CE1-CD1 4.35Å; F391-L406 HydrophobicContact CZ-CD1 4.26Å
392N96.1Very high96.5Very high1 Ų139 Ų391%0.00520%0.196CC..  trans-107.1-175.2-168.67739.1000112.2V283 G284 N286 E390 M394 D395 F396V283-N392 WeakPolarHBondContact O-CB 3.34Å; G284-N392 WeakPolarHBondContact O-CB 2.86Å; G284-N392 PolarHBondContact O-ND2 3.27Å; N286-N392 WeakPolarHBondContact CB-ND2 3.44Å; E390-N392 PolarHBondContact O-N 3.44Å; E390-N392 VanDerWaalsContact O-N 3.15Å; N392-M394 PolarHBondContact O-N 3.18Å; N392-M394 WeakPolarHBondContact OD1-CA 2.89Å; N392-M394 PolarHBondContact OD1-N 3.25Å; N392-D395 PolarHBondContact N-OD2 3.03Å; N392-D395 PolarHBondContact ND2-OD1 2.84Å; N392-D395 PolarHBondContact ND2-OD2 3.47Å; N392-D395 PolarHBondContact O-N 3.39Å; N392-D395 VanDerWaalsContact OD1-CG 3.27Å; N392-D395 PolarHBondContact OD1-N 3.03Å; N392-D395 PolarHBondContact OD1-OD1 2.92Å; N392-F396 VanDerWaalsContact O-CD2 3.27Å; N392-F396 WeakPolarHBondContact O-CD2 3.3Å; N392-F396 WeakPolarHBondContact O-CE2 3.48Å
393H96.8Very high96.3Very high6 Ų643.6 Ų43.63%0.02821%0.208CC..THydrogen-bonded Turntrans-63.6-33.2-177.2-167.172.4000114.9H196 S197 V283 D362 L364 C365 F396H196-H393 AromaticContact CE1-CD2 3.87Å; H196-H393 AromaticContact CE1-NE2 3.68Å; H196-H393 AromaticContact NE2-NE2 3.93Å; H196-H393 PolarHBondContact NE2-O 3.02Å; S197-H393 VanDerWaalsContact CB-CE1 3.49Å; S197-H393 WeakPolarHBondContact CB-CE1 3.24Å; S197-H393 WeakPolarHBondContact CB-NE2 3.21Å; S197-H393 PolarHBondContact OG-CE1 2.72Å; S197-H393 VanDerWaalsContact OG-CE1 3.24Å; S197-H393 PolarHBondContact OG-NE2 3.49Å; V283-H393 HydrophobicContact CB-CB 3.91Å; V283-H393 WeakPolarHBondContact O-CB 3.32Å; V283-H393 PolarHBondContact O-N 2.58Å; D362-H393 VanDerWaalsContact CG-ND1 3.31Å; D362-H393 WeakPolarHBondContact OD1-CB 3.39Å; D362-H393 IonicContact OD1-CG 3.56Å; D362-H393 IonicContact OD1-ND1 3.5Å; D362-H393 PolarHBondContact OD1-ND1 2.91Å; D362-H393 VanDerWaalsContact OD1-ND1 3.17Å; D362-H393 IonicContact OD2-CE1 2.85Å; D362-H393 IonicContact OD2-CG 3.42Å; D362-H393 IonicContact OD2-ND1 3.61Å; D362-H393 PolarHBondContact OD2-ND1 3.46Å; L364-H393 HydrophobicContact CD1-CB 4.41Å; C365-H393 VanDerWaalsContact SG-CE1 3.55Å; H393-F396 WeakPolarHBondContact O-CD2 3.49Å
394M95.8Very high96.1Very high14 Ų1446.7 Ų46.77%0.06922%0.221CC..THydrogen-bonded Turntrans-92.7-18-179-60.1-48.5-66.900113.1V283 N392 F396 L397 W398V283-M394 HydrophobicContact CB-CG 3.89Å; V283-M394 HydrophobicContact CG1-CG 3.7Å; V283-M394 HydrophobicContact CG1-SD 4.3Å; V283-M394 HydrophobicContact CG2-CG 3.96Å; N392-M394 PolarHBondContact O-N 3.18Å; N392-M394 WeakPolarHBondContact OD1-CA 2.89Å; N392-M394 PolarHBondContact OD1-N 3.25Å; M394-F396 PolarHBondContact O-N 3.07Å; M394-F396 VanDerWaalsContact O-N 3.13Å; M394-L397 HydrophobicContact CE-CD1 4.21Å; M394-L397 PolarHBondContact O-N 2.88Å; M394-W398 HydrophobicContact CB-CE3 3.97Å; M394-W398 HydrophobicContact CB-CZ3 4.31Å; M394-W398 HydrophobicContact CE-CD2 4.13Å; M394-W398 HydrophobicContact CE-CE3 3.83Å; M394-W398 HydrophobicContact CE-CH2 3.21Å; M394-W398 HydrophobicContact CE-CZ2 3.52Å; M394-W398 HydrophobicContact CE-CZ3 3.37Å; M394-W398 HydrophobicContact CG-CE3 4.43Å; M394-W398 HydrophobicContact CG-CZ3 4.27Å; M394-W398 PolarHBondContact O-N 3.34Å
395D97.3Very high96Very high3 Ų345.6 Ų45.62%0.01622%0.218CC..Hα-helixtrans-60.7-22.9174.8-67.7-17.2000111.7N286 F391 N392 L397 A399 V402N286-D395 WeakPolarHBondContact CB-OD2 3.48Å; N286-D395 PolarHBondContact ND2-OD2 3.4Å; F391-D395 WeakPolarHBondContact CA-OD2 3.37Å; F391-D395 HydrophobicContact CD1-CB 3.75Å; F391-D395 HydrophobicContact CD2-CB 3.7Å; F391-D395 HydrophobicContact CE1-CB 3.65Å; F391-D395 HydrophobicContact CE2-CB 3.6Å; F391-D395 HydrophobicContact CG-CB 3.8Å; F391-D395 HydrophobicContact CZ-CB 3.59Å; F391-D395 WeakPolarHBondContact CZ-O 3.34Å; N392-D395 PolarHBondContact N-OD2 3.03Å; N392-D395 PolarHBondContact ND2-OD1 2.84Å; N392-D395 PolarHBondContact ND2-OD2 3.47Å; N392-D395 PolarHBondContact O-N 3.39Å; N392-D395 VanDerWaalsContact OD1-CG 3.27Å; N392-D395 PolarHBondContact OD1-N 3.03Å; N392-D395 PolarHBondContact OD1-OD1 2.92Å; D395-L397 PolarHBondContact O-N 3.07Å; D395-L397 VanDerWaalsContact O-N 3.11Å; D395-A399 HydrophobicContact CB-CB 3.63Å; D395-A399 WeakPolarHBondContact O-CB 3.48Å; D395-A399 PolarHBondContact O-N 3.03Å; D395-V402 WeakPolarHBondContact O-CG2 3.18Å
396F98.2Very high95.9Very high0 Ų042.1 Ų42.10%020%0.2CC..Hα-helixtrans-57.2-20.3169.4-73.9-91.9000113.9L223 A224 V386 F391 N392 H393 M394 L406 Y407L223-F396 HydrophobicContact CB-CD1 3.96Å; L223-F396 HydrophobicContact CD2-CD1 4.4Å; A224-F396 HydrophobicContact CB-CD1 4.41Å; A224-F396 HydrophobicContact CB-CD2 3.82Å; A224-F396 HydrophobicContact CB-CE1 4.34Å; A224-F396 HydrophobicContact CB-CE2 3.75Å; A224-F396 HydrophobicContact CB-CG 4.19Å; A224-F396 HydrophobicContact CB-CZ 4.04Å; V386-F396 HydrophobicContact CG2-CZ 4.41Å; F391-F396 HydrophobicContact CD1-CD2 4.21Å; F391-F396 AromaticContact CD1-CE2 3.87Å; F391-F396 HydrophobicContact CD1-CE2 3.87Å; F391-F396 HydrophobicContact CD1-CZ 4.23Å; F391-F396 HydrophobicContact CE1-CB 4.49Å; F391-F396 HydrophobicContact CE1-CD1 4.16Å; F391-F396 AromaticContact CE1-CD2 3.56Å; F391-F396 HydrophobicContact CE1-CD2 3.56Å; F391-F396 HydrophobicContact CE1-CE1 4.18Å; F391-F396 AromaticContact CE1-CE2 3.58Å; F391-F396 HydrophobicContact CE1-CE2 3.58Å; F391-F396 AromaticContact CE1-CG 3.84Å; F391-F396 HydrophobicContact CE1-CG 3.84Å; F391-F396 AromaticContact CE1-CZ 3.88Å; F391-F396 HydrophobicContact CE1-CZ 3.88Å; N392-F396 VanDerWaalsContact O-CD2 3.27Å; N392-F396 WeakPolarHBondContact O-CD2 3.3Å; N392-F396 WeakPolarHBondContact O-CE2 3.48Å; H393-F396 WeakPolarHBondContact O-CD2 3.49Å; M394-F396 PolarHBondContact O-N 3.07Å; M394-F396 VanDerWaalsContact O-N 3.13Å; F396-L406 HydrophobicContact CD1-CD1 3.25Å; F396-L406 HydrophobicContact CE1-CD1 3.36Å; F396-L406 HydrophobicContact CG-CD1 4.25Å; F396-L406 HydrophobicContact CZ-CD1 4.42Å; F396-Y407 PolarHBondContact O-OH 3.23Å
397L97.4Very high95.9Very high1 Ų142.1 Ų42.11%0.00520%0.2CC..Hα-helixtrans-118.8-44.6-179-59.6177.5000111.9F118 H196 M394 D395F118-L397 HydrophobicContact CD1-CD2 3.72Å; F118-L397 HydrophobicContact CE1-CD2 3.56Å; F118-L397 HydrophobicContact CZ-CD2 4.39Å; H196-L397 HydrophobicContact CB-CD2 4.38Å; M394-L397 HydrophobicContact CE-CD1 4.21Å; M394-L397 PolarHBondContact O-N 2.88Å; D395-L397 PolarHBondContact O-N 3.07Å; D395-L397 VanDerWaalsContact O-N 3.11Å
398W95.3Very high95.9Very high14 Ų1441 Ų415%0.05318%0.183CC..Hα-helixtrans-118.2-0.8-160.8-52.4-26.8000115.8G117 M121 I298 Y302 M394G117-W398 PolarHBondContact O-NE1 2.91Å; M121-W398 WeakPolarHBondContact CE-O 3.47Å; M121-W398 HydrophobicContact CG-CB 4.29Å; M121-W398 HydrophobicContact CG-CG 4.44Å; M121-W398 HydrophobicContact SD-CB 3.98Å; M121-W398 HydrophobicContact SD-CG 4.26Å; I298-W398 HydrophobicContact CD1-CB 4.36Å; I298-W398 HydrophobicContact CD1-CD2 4.06Å; I298-W398 HydrophobicContact CD1-CE3 3.95Å; I298-W398 HydrophobicContact CD1-CG 4.25Å; I298-W398 HydrophobicContact CG1-CD2 4.35Å; I298-W398 HydrophobicContact CG1-CE3 4.45Å; I298-W398 HydrophobicContact CG2-CD2 4.47Å; I298-W398 HydrophobicContact CG2-CE3 4.02Å; I298-W398 HydrophobicContact CG2-CH2 3.63Å; I298-W398 HydrophobicContact CG2-CZ2 4.14Å; I298-W398 HydrophobicContact CG2-CZ3 3.57Å; Y302-W398 HydrophobicContact CD1-CH2 4.04Å; Y302-W398 AromaticContact CD2-CH2 3.89Å; Y302-W398 HydrophobicContact CD2-CH2 3.89Å; Y302-W398 HydrophobicContact CD2-CZ2 4.33Å; Y302-W398 HydrophobicContact CE1-CH2 4.49Å; Y302-W398 HydrophobicContact CE2-CH2 4.35Å; Y302-W398 AromaticContact CG-CH2 3.72Å; Y302-W398 HydrophobicContact CG-CH2 3.72Å; Y302-W398 HydrophobicContact CG-CZ2 4.38Å; M394-W398 HydrophobicContact CB-CE3 3.97Å; M394-W398 HydrophobicContact CB-CZ3 4.31Å; M394-W398 HydrophobicContact CE-CD2 4.13Å; M394-W398 HydrophobicContact CE-CE3 3.83Å; M394-W398 HydrophobicContact CE-CH2 3.21Å; M394-W398 HydrophobicContact CE-CZ2 3.52Å; M394-W398 HydrophobicContact CE-CZ3 3.37Å; M394-W398 HydrophobicContact CG-CE3 4.43Å; M394-W398 HydrophobicContact CG-CZ3 4.27Å; M394-W398 PolarHBondContact O-N 3.34Å
399A95.4Very high96Very high0 Ų042.7 Ų42.70%019%0.187CC..BIsolated β-bridgetrans-63.1142.3178.100000111.8E289 F391 D395 D401 V402 M405E289-A399 HydrophobicContact CB-CB 3.71Å; E289-A399 HydrophobicContact CG-CB 4.23Å; E289-A399 CarbonylContact O-C 3.09Å; E289-A399 VanDerWaalsContact O-CA 3.32Å; E289-A399 WeakPolarHBondContact O-CA 3.41Å; F391-A399 HydrophobicContact CE2-CB 4.23Å; D395-A399 HydrophobicContact CB-CB 3.63Å; D395-A399 WeakPolarHBondContact O-CB 3.48Å; D395-A399 PolarHBondContact O-N 3.03Å; A399-D401 VanDerWaalsContact C-N 3.29Å; A399-D401 PolarHBondContact O-N 3.38Å; A399-V402 HydrophobicContact CB-CB 3.99Å; A399-V402 WeakPolarHBondContact O-CB 3.49Å; A399-V402 WeakPolarHBondContact O-CG1 3.25Å; A399-V402 PolarHBondContact O-N 3.36Å; A399-M405 HydrophobicContact CB-CE 4.16Å
400I94.3Very high96.1Very high82 Ų8235.3 Ų35.342%0.42116%0.155SC..THydrogen-bonded Turntrans-53.3-48.4176.9-67.4162.3000110.6E289 N291E289-I400 WeakPolarHBondContact O-CG1 3.32Å; E289-I400 PolarHBondContact O-N 3.41Å; N291-I400 HydrophobicContact CB-CD1 4.26Å; N291-I400 HydrophobicContact CB-CG1 3.78Å
401D95.1Very high96.2Very high74 Ų7431.3 Ų31.340%0.39614%0.137SC..THydrogen-bonded Turntrans-98.517.7-177.1-86.5-34.5000113.6E289 A399 R403 K404 M405E289-D401 WeakPolarHBondContact OE2-CB 3.48Å; E289-D401 PolarHBondContact OE2-N 3.27Å; A399-D401 VanDerWaalsContact C-N 3.29Å; A399-D401 PolarHBondContact O-N 3.38Å; D401-R403 PolarHBondContact O-N 3.17Å; D401-K404 PolarHBondContact O-N 3.45Å; D401-M405 HydrophobicContact CB-CE 3.77Å; D401-M405 HydrophobicContact CB-CG 4.4Å; D401-M405 PolarHBondContact O-N 2.74Å
402V96.7Very high96.2Very high0 Ų032.5 Ų32.50%014%0.142CC..Hα-helixtrans-51.9-36.7-178.566.70000112.9V125 F391 D395 A399 K404 M405 L406 Y407V125-V402 HydrophobicContact CG1-CG1 3.83Å; F391-V402 HydrophobicContact CZ-CG2 4.39Å; D395-V402 WeakPolarHBondContact O-CG2 3.18Å; A399-V402 HydrophobicContact CB-CB 3.99Å; A399-V402 WeakPolarHBondContact O-CB 3.49Å; A399-V402 WeakPolarHBondContact O-CG1 3.25Å; A399-V402 PolarHBondContact O-N 3.36Å; V402-K404 VanDerWaalsContact C-N 3.35Å; V402-K404 PolarHBondContact O-N 3.17Å; V402-M405 PolarHBondContact O-N 3.17Å; V402-L406 HydrophobicContact CG2-CB 4.42Å; V402-L406 PolarHBondContact O-N 3.3Å; V402-Y407 HydrophobicContact CB-CD2 4.5Å; V402-Y407 HydrophobicContact CB-CE2 4.14Å; V402-Y407 HydrophobicContact CG1-CD2 3.9Å; V402-Y407 HydrophobicContact CG1-CE2 3.43Å; V402-Y407 VanDerWaalsContact CG1-CE2 3.43Å; V402-Y407 HydrophobicContact CG2-CD1 4.49Å; V402-Y407 HydrophobicContact CG2-CD2 4.04Å; V402-Y407 HydrophobicContact CG2-CE1 4.07Å; V402-Y407 HydrophobicContact CG2-CE2 3.59Å; V402-Y407 HydrophobicContact CG2-CG 4.48Å; V402-Y407 PolarHBondContact O-N 3.05Å; V402-Y407 VanDerWaalsContact O-N 3.14Å
403R94.4Very high96.2Very high113 Ų11334.7 Ų34.743%0.42616%0.156SC..Iπ-helixtrans-61.2-43.6178.3174.1171.9171.4177.12.4112.2N124 L130 D401 Y407 R408N124-R403 WeakPolarHBondContact O-CD 3.39Å; N124-R403 PolarHBondContact O-NH1 3.25Å; N124-R403 VanDerWaalsContact O-NH1 3.14Å; N124-R403 PolarHBondContact OD1-NH1 3.22Å; L130-R403 HydrophobicContact CD1-CB 4.4Å; L130-R403 HydrophobicContact CD1-CG 4.22Å; D401-R403 PolarHBondContact O-N 3.17Å; R403-Y407 HydrophobicContact CB-CD2 4.46Å; R403-R408 WeakPolarHBondContact O-CB 3.35Å; R403-R408 PolarHBondContact O-N 3.23Å
404K94Very high96.2Very high157 Ų15735.5 Ų35.568%0.68316%0.16SC*.Iπ-helixtrans-74-42.2-179.9179.5-175.3172.2-170.60110.8D401 V402D401-K404 PolarHBondContact O-N 3.45Å; V402-K404 VanDerWaalsContact C-N 3.35Å; V402-K404 PolarHBondContact O-N 3.17Å
405M94.5Very high96.2Very high26 Ų2638 Ų3813%0.12819%0.189CC..Iπ-helixtrans-78.1-32.6-172.7-66.9-168.5-78.200113.8E289 Y384 V386 Q388 F391 A399 D401 V402E289-M405 HydrophobicContact CG-CE 3.9Å; E289-M405 VanDerWaalsContact OE2-CE 3.23Å; E289-M405 WeakPolarHBondContact OE2-CE 3.42Å; Y384-M405 VanDerWaalsContact CE1-O 3.28Å; Y384-M405 WeakPolarHBondContact CE1-O 3.47Å; Y384-M405 PolarHBondContact OH-O 3.22Å; V386-M405 HydrophobicContact CG1-CB 4.35Å; Q388-M405 HydrophobicContact CB-SD 3.94Å; Q388-M405 HydrophobicContact CG-SD 4.42Å; Q388-M405 PolarHBondContact OE1-SD 3.24Å; Q388-M405 VanDerWaalsContact OE1-SD 3.35Å; F391-M405 HydrophobicContact CD2-CE 3.63Å; F391-M405 HydrophobicContact CD2-SD 3.85Å; F391-M405 HydrophobicContact CE2-CB 4.22Å; F391-M405 HydrophobicContact CE2-CE 3.6Å; F391-M405 HydrophobicContact CE2-SD 4.19Å; A399-M405 HydrophobicContact CB-CE 4.16Å; D401-M405 HydrophobicContact CB-CE 3.77Å; D401-M405 HydrophobicContact CB-CG 4.4Å; D401-M405 PolarHBondContact O-N 2.74Å; V402-M405 PolarHBondContact O-N 3.17Å
406L97.2Very high95.9Very high0 Ų041.3 Ų41.30%020%0.204CC..Iπ-helixtrans-133.4-57.3-170.9-170.7149.2000113.2L223 Y357 V386 F391 F396 V402 R408 R409 M410L223-L406 HydrophobicContact CD2-CD1 4.5Å; L223-L406 HydrophobicContact CD2-CD2 3.9Å; Y357-L406 HydrophobicContact CD1-CD1 4.47Å; Y357-L406 HydrophobicContact CD1-CD2 4.46Å; Y357-L406 HydrophobicContact CD1-CG 4.15Å; V386-L406 HydrophobicContact CG2-CD1 4.05Å; F391-L406 HydrophobicContact CE1-CD1 4.35Å; F391-L406 HydrophobicContact CZ-CD1 4.26Å; F396-L406 HydrophobicContact CD1-CD1 3.25Å; F396-L406 HydrophobicContact CE1-CD1 3.36Å; F396-L406 HydrophobicContact CG-CD1 4.25Å; F396-L406 HydrophobicContact CZ-CD1 4.42Å; V402-L406 HydrophobicContact CG2-CB 4.42Å; V402-L406 PolarHBondContact O-N 3.3Å; L406-R408 VanDerWaalsContact C-N 3.29Å; L406-R408 PolarHBondContact O-N 3.03Å; L406-R409 WeakPolarHBondContact O-CA 3.5Å; L406-R409 WeakPolarHBondContact O-CB 3.46Å; L406-R409 PolarHBondContact O-N 2.81Å; L406-M410 PolarHBondContact O-N 2.78Å
407Y97.5Very high95.3Very high2 Ų242.7 Ų42.71%0.00821%0.212CC..Iπ-helixtrans-65.7-31.2-169.3-57.7-38.8000113.4V125 L127 L130 F396 V402 R403 R409 M410 L411V125-Y407 WeakPolarHBondContact O-CD2 3.25Å; V125-Y407 WeakPolarHBondContact O-CE2 3.18Å; L127-Y407 HydrophobicContact CB-CD1 4.49Å; L127-Y407 HydrophobicContact CB-CE1 3.87Å; L127-Y407 HydrophobicContact CB-CE2 4.16Å; L127-Y407 HydrophobicContact CD1-CD1 3.72Å; L127-Y407 HydrophobicContact CD1-CE1 3.88Å; L127-Y407 HydrophobicContact CD1-CG 4.19Å; L127-Y407 HydrophobicContact CD2-CE1 4.06Å; L127-Y407 HydrophobicContact CG-CD1 4.49Å; L127-Y407 HydrophobicContact CG-CE1 4.14Å; L130-Y407 HydrophobicContact CD1-CD2 3.48Å; L130-Y407 VanDerWaalsContact CD1-CD2 3.48Å; L130-Y407 HydrophobicContact CD1-CE2 4.3Å; L130-Y407 HydrophobicContact CD1-CG 4.07Å; F396-Y407 PolarHBondContact O-OH 3.23Å; V402-Y407 HydrophobicContact CB-CD2 4.5Å; V402-Y407 HydrophobicContact CB-CE2 4.14Å; V402-Y407 HydrophobicContact CG1-CD2 3.9Å; V402-Y407 HydrophobicContact CG1-CE2 3.43Å; V402-Y407 VanDerWaalsContact CG1-CE2 3.43Å; V402-Y407 HydrophobicContact CG2-CD1 4.49Å; V402-Y407 HydrophobicContact CG2-CD2 4.04Å; V402-Y407 HydrophobicContact CG2-CE1 4.07Å; V402-Y407 HydrophobicContact CG2-CE2 3.59Å; V402-Y407 HydrophobicContact CG2-CG 4.48Å; V402-Y407 PolarHBondContact O-N 3.05Å; V402-Y407 VanDerWaalsContact O-N 3.14Å; R403-Y407 HydrophobicContact CB-CD2 4.46Å; Y407-R409 VanDerWaalsContact C-N 3.31Å; Y407-R409 PolarHBondContact O-N 3.25Å; Y407-M410 PolarHBondContact O-N 2.96Å; Y407-L411 WeakPolarHBondContact O-CB 3.44Å; Y407-L411 VanDerWaalsContact O-CG 3.3Å; Y407-L411 WeakPolarHBondContact O-CG 3.45Å; Y407-L411 PolarHBondContact O-N 3.49Å
408R95.3Very high94.4Very high76 Ų7645 Ų4529%0.28723%0.227SC..Hα-helixtrans-58.4-44.2171.2-177.5-178.2173.9103.30.6111.4R403 L406 L411 Q412 G420R403-R408 WeakPolarHBondContact O-CB 3.35Å; R403-R408 PolarHBondContact O-N 3.23Å; L406-R408 VanDerWaalsContact C-N 3.29Å; L406-R408 PolarHBondContact O-N 3.03Å; R408-L411 PolarHBondContact O-N 2.73Å; R408-Q412 WeakPolarHBondContact O-CG 3.22Å; R408-Q412 PolarHBondContact O-N 2.97Å; R408-G420 PolarHBondContact NH2-O 2.96Å
409R96.3Very high93.3Very high79 Ų7951.7 Ų51.730%0.29826%0.259SS..Hα-helixtrans-65.8-42.7177.6-179.557.8177.3166.92.5110.7Y357 Y384 L406 Y407 L411 Q412 V413Y357-R409 HydrophobicContact CE1-CG 4.42Å; Y384-R409 HydrophobicContact CD1-CG 4.42Å; Y384-R409 HydrophobicContact CD2-CG 3.95Å; Y384-R409 HydrophobicContact CE1-CB 4.47Å; Y384-R409 HydrophobicContact CE2-CG 4.1Å; Y384-R409 HydrophobicContact CG-CG 4.1Å; L406-R409 WeakPolarHBondContact O-CA 3.5Å; L406-R409 WeakPolarHBondContact O-CB 3.46Å; L406-R409 PolarHBondContact O-N 2.81Å; Y407-R409 VanDerWaalsContact C-N 3.31Å; Y407-R409 PolarHBondContact O-N 3.25Å; R409-L411 PolarHBondContact O-N 2.83Å; R409-Q412 WeakPolarHBondContact O-CB 3.32Å; R409-Q412 PolarHBondContact O-N 3.05Å; R409-Q412 VanDerWaalsContact O-N 3.14Å; R409-V413 WeakPolarHBondContact O-CG2 3.31Å; R409-V413 PolarHBondContact O-N 3.14Å
410M97.8Very high91.7Very high1 Ų152.8 Ų52.81%0.00527%0.27CS..Hα-helixtrans-60-43.6175.8-179.7179.9156.800112.5F105 L127 L131 A194 Q221 L223 Y357 L406 Y407 Q412 V413 L414F105-M410 HydrophobicContact CE1-CE 4.34Å; F105-M410 HydrophobicContact CE2-CE 4.48Å; F105-M410 HydrophobicContact CZ-CE 3.74Å; L127-M410 HydrophobicContact CD1-CE 3.85Å; L127-M410 HydrophobicContact CD1-SD 3.96Å; L127-M410 HydrophobicContact CD2-CE 4.11Å; L127-M410 HydrophobicContact CD2-SD 4.33Å; L131-M410 HydrophobicContact CD1-CE 4.44Å; L131-M410 HydrophobicContact CD2-CE 4.36Å; A194-M410 HydrophobicContact CB-CE 4.18Å; Q221-M410 HydrophobicContact CB-CE 4.04Å; Q221-M410 HydrophobicContact CB-SD 4.34Å; Q221-M410 HydrophobicContact CG-CE 3.99Å; Q221-M410 HydrophobicContact CG-CG 4.38Å; L223-M410 HydrophobicContact CD2-SD 4.46Å; Y357-M410 HydrophobicContact CE1-CB 4.05Å; Y357-M410 VanDerWaalsContact OH-CA 3.26Å; Y357-M410 WeakPolarHBondContact OH-CA 3.28Å; L406-M410 PolarHBondContact O-N 2.78Å; Y407-M410 PolarHBondContact O-N 2.96Å; M410-Q412 VanDerWaalsContact C-N 3.3Å; M410-Q412 PolarHBondContact O-N 2.75Å; M410-V413 PolarHBondContact O-N 3.02Å; M410-L414 HydrophobicContact CE-CD1 4.05Å; M410-L414 HydrophobicContact CG-CD1 4.11Å; M410-L414 VanDerWaalsContact O-CG 3.31Å; M410-L414 WeakPolarHBondContact O-CG 3.36Å; M410-L414 PolarHBondContact O-N 2.67Å
411L97.8Very high89.9Confident8 Ų851 Ų514%0.04227%0.265CS..Hα-helixtrans-66.8-28.6175.9-70.3167.1000112.9L131 H134 Y407 R408 R409 G415 K416 V417L131-L411 HydrophobicContact CD2-CD2 4.22Å; H134-L411 HydrophobicContact CB-CD2 4.16Å; Y407-L411 WeakPolarHBondContact O-CB 3.44Å; Y407-L411 VanDerWaalsContact O-CG 3.3Å; Y407-L411 WeakPolarHBondContact O-CG 3.45Å; Y407-L411 PolarHBondContact O-N 3.49Å; R408-L411 PolarHBondContact O-N 2.73Å; R409-L411 PolarHBondContact O-N 2.83Å; L411-G415 PolarHBondContact O-N 2.7Å; L411-K416 HydrophobicContact CB-CB 4.36Å; L411-K416 HydrophobicContact CD2-CB 4.17Å; L411-K416 HydrophobicContact CD2-CG 4.45Å; L411-K416 WeakPolarHBondContact O-CA 3.41Å; L411-K416 WeakPolarHBondContact O-CB 3.41Å; L411-K416 PolarHBondContact O-N 3.42Å; L411-V417 HydrophobicContact CB-CB 4.34Å; L411-V417 HydrophobicContact CB-CG2 3.75Å; L411-V417 HydrophobicContact CD1-CG2 4.39Å; L411-V417 PolarHBondContact O-N 2.95Å
412Q97.1Very high88.1Confident25 Ų2551.2 Ų51.212%0.11727%0.27CS..Hα-helixtrans-67.6-46.2170.1-72.1172.1-26.600111.5R408 R409 M410 L414 G415 V417 P418R408-Q412 WeakPolarHBondContact O-CG 3.22Å; R408-Q412 PolarHBondContact O-N 2.97Å; R409-Q412 WeakPolarHBondContact O-CB 3.32Å; R409-Q412 PolarHBondContact O-N 3.05Å; R409-Q412 VanDerWaalsContact O-N 3.14Å; M410-Q412 VanDerWaalsContact C-N 3.3Å; M410-Q412 PolarHBondContact O-N 2.75Å; Q412-L414 PolarHBondContact O-N 3.34Å; Q412-G415 WeakPolarHBondContact O-CA 3.5Å; Q412-G415 PolarHBondContact O-N 3.16Å; Q412-V417 HydrophobicContact CG-CB 4.05Å; Q412-V417 HydrophobicContact CG-CG1 4.14Å; Q412-P418 PolarHBondContact NE2-O 3.36Å
413V96.8Very high86Confident48 Ų4858.5 Ų58.529%0.29130%0.304SS..Hα-helixtrans-59.6-36.3176.2171.80000111.3F355 R409 M410 G415F355-V413 HydrophobicContact CB-CG1 4.07Å; F355-V413 HydrophobicContact CD1-CG2 4.32Å; F355-V413 HydrophobicContact CD2-CB 4.36Å; F355-V413 HydrophobicContact CD2-CG1 3.55Å; F355-V413 HydrophobicContact CD2-CG2 3.81Å; F355-V413 HydrophobicContact CE1-CG2 4.06Å; F355-V413 HydrophobicContact CE2-CB 4.5Å; F355-V413 HydrophobicContact CE2-CG1 4.12Å; F355-V413 HydrophobicContact CE2-CG2 3.5Å; F355-V413 HydrophobicContact CG-CG1 3.81Å; F355-V413 HydrophobicContact CG-CG2 4.2Å; F355-V413 HydrophobicContact CZ-CG2 3.65Å; R409-V413 WeakPolarHBondContact O-CG2 3.31Å; R409-V413 PolarHBondContact O-N 3.14Å; M410-V413 PolarHBondContact O-N 3.02Å; V413-G415 PolarHBondContact O-N 3.26Å
414L97Very high83.8Confident22 Ų2258.7 Ų58.712%0.11531%0.31CS..THydrogen-bonded Turntrans-76.40174.1-67169.6000113.9F105 L131 Y136 Q221 M410 Q412 K416F105-L414 HydrophobicContact CE2-CD1 3.68Å; F105-L414 HydrophobicContact CE2-CD2 3.94Å; F105-L414 HydrophobicContact CE2-CG 4.49Å; F105-L414 HydrophobicContact CZ-CD1 4.22Å; F105-L414 HydrophobicContact CZ-CD2 4.48Å; L131-L414 HydrophobicContact CD2-CD1 3.99Å; Y136-L414 HydrophobicContact CE2-CD1 4.32Å; Q221-L414 HydrophobicContact CG-CD2 4.31Å; M410-L414 HydrophobicContact CE-CD1 4.05Å; M410-L414 HydrophobicContact CG-CD1 4.11Å; M410-L414 VanDerWaalsContact O-CG 3.31Å; M410-L414 WeakPolarHBondContact O-CG 3.36Å; M410-L414 PolarHBondContact O-N 2.67Å; Q412-L414 PolarHBondContact O-N 3.34Å; L414-K416 VanDerWaalsContact C-N 3.29Å; L414-K416 HydrophobicContact CB-CG 4.15Å; L414-K416 PolarHBondContact O-N 3.49Å
415G94.7Very high81.7Confident66 Ų6651.7 Ų51.768%0.6828%0.282SS*.THydrogen-bonded Turntrans70.519.6-179.600000114.7L411 Q412 V413L411-G415 PolarHBondContact O-N 2.7Å; Q412-G415 WeakPolarHBondContact O-CA 3.5Å; Q412-G415 PolarHBondContact O-N 3.16Å; V413-G415 PolarHBondContact O-N 3.26Å
416K90.9Very high79.8Confident74 Ų7455.1 Ų55.132%0.32230%0.3SS..SBendtrans-94.9-22.4-177.4-62-60.8-174.4158.90113.9H134 Y136 L411 L414H134-K416 HydrophobicContact CB-CB 4.28Å; H134-K416 HydrophobicContact CB-CD 4.46Å; H134-K416 HydrophobicContact CB-CG 4.26Å; H134-K416 PolarHBondContact O-NZ 2.77Å; H134-K416 VanDerWaalsContact O-NZ 3.16Å; Y136-K416 HydrophobicContact CE2-CD 4.24Å; Y136-K416 HydrophobicContact CE2-CG 3.97Å; Y136-K416 WeakPolarHBondContact OH-CE 3.32Å; L411-K416 HydrophobicContact CB-CB 4.36Å; L411-K416 HydrophobicContact CD2-CB 4.17Å; L411-K416 HydrophobicContact CD2-CG 4.45Å; L411-K416 WeakPolarHBondContact O-CA 3.41Å; L411-K416 WeakPolarHBondContact O-CB 3.41Å; L411-K416 PolarHBondContact O-N 3.42Å; L414-K416 VanDerWaalsContact C-N 3.29Å; L414-K416 HydrophobicContact CB-CG 4.15Å; L414-K416 PolarHBondContact O-N 3.49Å
417V85.9Confident77.5Confident28 Ų2864.1 Ų64.117%0.1733%0.334CS..SBendtrans-127.8140.2178.4177.10000108.6L411 Q412L411-V417 HydrophobicContact CB-CB 4.34Å; L411-V417 HydrophobicContact CB-CG2 3.75Å; L411-V417 HydrophobicContact CD1-CG2 4.39Å; L411-V417 PolarHBondContact O-N 2.95Å; Q412-V417 HydrophobicContact CG-CB 4.05Å; Q412-V417 HydrophobicContact CG-CG1 4.14Å
418P78.8Confident75.3Confident51 Ų5165.9 Ų65.933%0.33135%0.347SS..  trans-57143176.9-23.833000112.5Q412 G420 A425Q412-P418 PolarHBondContact NE2-O 3.36Å; P418-G420 PolarHBondContact O-N 2.81Å; P418-A425 HydrophobicContact CB-CB 4.3Å; P418-A425 HydrophobicContact CG-CB 4.28Å
419E71.3Confident73.2Confident154 Ų15470.2 Ų70.272%0.7236%0.363SS*.SBendtrans-65.8126.1162.8-61.4-165.4145.800108.6
420G63Low71.3Confident22 Ų2276.1 Ų76.123%0.22739%0.386CS..SBendtrans133.4163.4-178.100000115.1R408 P418 E424R408-G420 PolarHBondContact NH2-O 2.96Å; P418-G420 PolarHBondContact O-N 2.81Å; G420-E424 WeakPolarHBondContact CA-OE2 3.48Å
421S56.2Low69.1Low45 Ų4582.8 Ų82.832%0.31542%0.417SS..  trans-59.9157.6174.578.60000110.8E423 E424 A425S421-E423 PolarHBondContact O-N 3.01Å; S421-E423 VanDerWaalsContact O-N 3.08Å; S421-E423 PolarHBondContact OG-N 3.14Å; S421-E424 PolarHBondContact N-OE2 3.41Å; S421-E424 PolarHBondContact O-N 2.95Å; S421-E424 WeakPolarHBondContact OG-CG 3.34Å; S421-E424 PolarHBondContact OG-N 3.29Å; S421-E424 VanDerWaalsContact OG-N 3.1Å; S421-A425 PolarHBondContact O-N 3.25Å
422P56.2Low66.9Low78 Ų7887.5 Ų87.551%0.50644%0.441SS..Hα-helixtrans-51.7-31.4173-24.432.9000112.9N426P422-N426 WeakPolarHBondContact O-CB 3.42Å; P422-N426 PolarHBondContact O-N 3.48Å
423E52.5Low64.7Low154 Ų15495.7 Ų95.772%0.7247%0.471SS*.Hα-helixtrans-71.3-42.4176.7-60.6-178.3160.800112.2S421 N426 R427S421-E423 PolarHBondContact O-N 3.01Å; S421-E423 VanDerWaalsContact O-N 3.08Å; S421-E423 PolarHBondContact OG-N 3.14Å; E423-N426 PolarHBondContact O-N 3.23Å; E423-R427 PolarHBondContact O-N 3.35Å
424E48.1Very low62.5Low116 Ų11695.1 Ų95.154%0.54248%0.475SS..Hα-helixtrans-66.4-40.2174.6-71.3169162.900111.6G420 S421 N426 R427 S428G420-E424 WeakPolarHBondContact CA-OE2 3.48Å; S421-E424 PolarHBondContact N-OE2 3.41Å; S421-E424 PolarHBondContact O-N 2.95Å; S421-E424 WeakPolarHBondContact OG-CG 3.34Å; S421-E424 PolarHBondContact OG-N 3.29Å; S421-E424 VanDerWaalsContact OG-N 3.1Å; E424-N426 VanDerWaalsContact C-N 3.34Å; E424-N426 PolarHBondContact O-N 3.11Å; E424-R427 PolarHBondContact O-N 2.96Å; E424-S428 PolarHBondContact O-N 2.86Å
425A50.8Low60.4Low11 Ų11102.2 Ų102.29%0.09151%0.505CS..Hα-helixtrans-66-35175.100000112.4P418 S421 S428 R429P418-A425 HydrophobicContact CB-CB 4.3Å; P418-A425 HydrophobicContact CG-CB 4.28Å; S421-A425 PolarHBondContact O-N 3.25Å; A425-S428 PolarHBondContact O-OG 2.93Å; A425-R429 WeakPolarHBondContact O-CG 3.43Å; A425-R429 PolarHBondContact O-N 3.42Å; A425-R429 VanDerWaalsContact O-N 3.15Å
426N54Low58.2Low97 Ų97106.6 Ų106.652%0.51951%0.506SS..Hα-helixtrans-72.3-35.1173.2-87.7-18.9000112.3P422 E423 E424 R430P422-N426 WeakPolarHBondContact O-CB 3.42Å; P422-N426 PolarHBondContact O-N 3.48Å; E423-N426 PolarHBondContact O-N 3.23Å; E424-N426 VanDerWaalsContact C-N 3.34Å; E424-N426 PolarHBondContact O-N 3.11Å; N426-R430 WeakPolarHBondContact O-CG 3.38Å; N426-R430 PolarHBondContact O-N 2.82Å; N426-R430 VanDerWaalsContact O-N 3.09Å
427R48.7Very low56.4Low189 Ų189109.8 Ų109.871%0.71352%0.524SS*.Hα-helixtrans-63.5-48.4171.7-84.2-173.9-177.1179.93.1111.6E423 E424 R429 R430 E431E423-R427 PolarHBondContact O-N 3.35Å; E424-R427 PolarHBondContact O-N 2.96Å; R427-R429 VanDerWaalsContact C-N 3.34Å; R427-R429 PolarHBondContact O-N 3.09Å; R427-R430 PolarHBondContact O-N 2.97Å; R427-R430 VanDerWaalsContact O-N 3.08Å; R427-E431 PolarHBondContact O-N 3.4Å
428S52.2Low54.5Low40 Ų40119.6 Ų119.628%0.2856%0.559SS.*Hα-helixtrans-62.2-40179.969.40000112.2E424 A425 R430 E431 I432E424-S428 PolarHBondContact O-N 2.86Å; A425-S428 PolarHBondContact O-OG 2.93Å; S428-R430 PolarHBondContact O-N 3.42Å; S428-E431 PolarHBondContact O-N 3.17Å; S428-I432 VanDerWaalsContact O-CG1 3.3Å; S428-I432 WeakPolarHBondContact O-CG1 3.38Å; S428-I432 PolarHBondContact O-N 3.09Å
429R51.9Low52.8Low167 Ų167124.3 Ų124.363%0.6359%0.592SS**Hα-helixtrans-62.2-38.6172.8-78-178.6177.4-171-0.6113A425 R427 R433A425-R429 WeakPolarHBondContact O-CG 3.43Å; A425-R429 PolarHBondContact O-N 3.42Å; A425-R429 VanDerWaalsContact O-N 3.15Å; R427-R429 VanDerWaalsContact C-N 3.34Å; R427-R429 PolarHBondContact O-N 3.09Å; R429-R433 PolarHBondContact O-N 2.76Å; R429-R433 VanDerWaalsContact O-N 3.14Å
430R55.6Low51.8Low203 Ų203122.8 Ų122.877%0.76659%0.586SS**Hα-helixtrans-69.6-39.1176.1-77.2-178.8179-1741112N426 R427 S428 R433 G434N426-R430 WeakPolarHBondContact O-CG 3.38Å; N426-R430 PolarHBondContact O-N 2.82Å; N426-R430 VanDerWaalsContact O-N 3.09Å; R427-R430 PolarHBondContact O-N 2.97Å; R427-R430 VanDerWaalsContact O-N 3.08Å; S428-R430 PolarHBondContact O-N 3.42Å; R430-R433 PolarHBondContact O-N 2.98Å; R430-G434 PolarHBondContact O-N 3.28Å
431E51.2Low51.2Low141 Ų141128.1 Ų128.166%0.65961%0.605SS**Hα-helixtrans-67-40.5176.7-76.1-177.4170.400112.6R427 S428 G434 K435R427-E431 PolarHBondContact O-N 3.4Å; S428-E431 PolarHBondContact O-N 3.17Å; E431-G434 PolarHBondContact O-N 3.12Å; E431-K435 PolarHBondContact O-N 3.4Å
432I53.2Low51Low107 Ų107132.7 Ų132.755%0.54962%0.621SS.*Hα-helixtrans-62.4-45.2174.5-66.8166.7000110.3S428 G434 K435 F436S428-I432 VanDerWaalsContact O-CG1 3.3Å; S428-I432 WeakPolarHBondContact O-CG1 3.38Å; S428-I432 PolarHBondContact O-N 3.09Å; I432-G434 VanDerWaalsContact C-N 3.32Å; I432-G434 PolarHBondContact O-N 3.05Å; I432-K435 PolarHBondContact O-N 3.38Å; I432-F436 PolarHBondContact O-N 3.47Å
433R49.4Very low50.7Low196 Ų196135.9 Ų135.974%0.7463%0.628SS**Hα-helixtrans-63.4-36.6173.9-86.3-176.4163-178.1-4.5112.8R429 R430 K435 F436 I437R429-R433 PolarHBondContact O-N 2.76Å; R429-R433 VanDerWaalsContact O-N 3.14Å; R430-R433 PolarHBondContact O-N 2.98Å; R433-K435 VanDerWaalsContact C-N 3.31Å; R433-K435 PolarHBondContact O-N 3.1Å; R433-F436 PolarHBondContact O-N 2.89Å; R433-I437 WeakPolarHBondContact O-CG1 3.34Å; R433-I437 PolarHBondContact O-N 2.95Å
434G50.8Low50.5Low37 Ų37134.8 Ų134.838%0.38162%0.622SS.*Hα-helixtrans-64.8-32.2177.800000113.6R430 E431 I432R430-G434 PolarHBondContact O-N 3.28Å; E431-G434 PolarHBondContact O-N 3.12Å; I432-G434 VanDerWaalsContact C-N 3.32Å; I432-G434 PolarHBondContact O-N 3.05Å
435K52.1Low50.7Low171 Ų171136.1 Ų136.174%0.74363%0.627SS**Hα-helixtrans-72.1-32.7175-75.1-173.9177.7178.80113.2E431 I432 R433 I437E431-K435 PolarHBondContact O-N 3.4Å; I432-K435 PolarHBondContact O-N 3.38Å; R433-K435 VanDerWaalsContact C-N 3.31Å; R433-K435 PolarHBondContact O-N 3.1Å; K435-I437 VanDerWaalsContact C-N 3.32Å; K435-I437 PolarHBondContact O-N 3.06Å
436F50.3Low50.7Low158 Ų158145 Ų14569%0.69367%0.666SS**Hα-helixtrans-76.5-15.6176.4-87.2-80.6000114.2I432 R433I432-F436 PolarHBondContact O-N 3.47Å; R433-F436 PolarHBondContact O-N 2.89Å
437I52.8Low50.4Low140 Ų140148.7 Ų148.772%0.71868%0.677SS**THydrogen-bonded Turntrans-91-7.7177.5-62.9169.3000111.7R433 K435R433-I437 WeakPolarHBondContact O-CG1 3.34Å; R433-I437 PolarHBondContact O-N 2.95Å; K435-I437 VanDerWaalsContact C-N 3.32Å; K435-I437 PolarHBondContact O-N 3.06Å
438R45.9Very low50.6Low235 Ų235145.3 Ų145.389%0.88767%0.674SS**  trans-111.613.7178.1-75.1-167176.2-169.10.3115.1
439S41.8Very low50.4Low149 Ų149154.9 Ų154.9100%1.04271%0.71SS**  trans-101.10159.764.30000108.9

Retrieved 439 of 439 residues in 920.8 ms (Link to these results)

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