A0A077Z9D7_TRITR Loading...

Frizzled 9

AlphaFold DB , UniProt , Accession A0A077Z9D7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 594 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
1M53.4Low69Low107 Ų10781.9 Ų81.953%0.52743%0.426SS..  0-79.60-67.2-155.279.800112.2L3 S4 M5 F262 H353M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.23Å; M1-S4 WeakPolarHBondContact CA-OG 3.48Å; M1-S4 PolarHBondContact N-OG 3.48Å; M1-S4 PolarHBondContact O-N 3.2Å; M1-S4 VanDerWaalsContact O-N 3.11Å; M1-S4 PolarHBondContact O-OG 3.48Å; M1-M5 WeakPolarHBondContact O-CB 3.41Å; M1-M5 WeakPolarHBondContact O-CG 3.28Å; M1-M5 PolarHBondContact O-N 3.39Å; M1-F262 HydrophobicContact CE-CE1 3.69Å; M1-F262 HydrophobicContact CE-CZ 3.78Å; M1-H353 WeakPolarHBondContact CE-CE1 3.43Å; M1-H353 WeakPolarHBondContact CE-NE2 3.42Å
2L53.2Low69.3Low98 Ų9876 Ų7651%0.51340%0.396SS..Hα-helixtrans-59.1-41.7173.3-74172.5000111.5S4 M5 L6 L247 L265L2-S4 PolarHBondContact O-N 3.31Å; L2-M5 WeakPolarHBondContact O-CB 3.27Å; L2-M5 PolarHBondContact O-N 3.14Å; L2-L6 WeakPolarHBondContact O-CB 3.45Å; L2-L6 PolarHBondContact O-N 3.27Å; L2-L247 HydrophobicContact CD1-CD2 4.05Å; L2-L265 HydrophobicContact CD2-CD1 4.08Å; L2-L265 HydrophobicContact CD2-CD2 4.19Å
3L65.3Low69.5Low122 Ų12274.3 Ų74.364%0.63939%0.387SS*.Hα-helixtrans-62.5-39.1172.9-172.671.4000113.1M1 M5 L6 L7M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.23Å; L3-M5 VanDerWaalsContact C-N 3.34Å; L3-L6 PolarHBondContact O-N 3.02Å; L3-L7 HydrophobicContact CG-CD1 4.06Å; L3-L7 HydrophobicContact CG-CG 4.45Å; L3-L7 WeakPolarHBondContact O-CB 3.29Å; L3-L7 WeakPolarHBondContact O-CG 3.21Å; L3-L7 PolarHBondContact O-N 2.81Å
4S67.6Low69Low68 Ų6871.3 Ų71.348%0.47638%0.383SS..Hα-helixtrans-73.7-27.3178.156.20000112.5M1 L2 L8M1-S4 WeakPolarHBondContact CA-OG 3.48Å; M1-S4 PolarHBondContact N-OG 3.48Å; M1-S4 PolarHBondContact O-N 3.2Å; M1-S4 VanDerWaalsContact O-N 3.11Å; M1-S4 PolarHBondContact O-OG 3.48Å; L2-S4 PolarHBondContact O-N 3.31Å; S4-L8 VanDerWaalsContact O-CB 3.29Å; S4-L8 WeakPolarHBondContact O-CB 3.34Å; S4-L8 PolarHBondContact O-N 3.27Å
5M61.7Low68.6Low22 Ų2272.3 Ų72.311%0.10839%0.387CS..Hα-helixtrans-69.5-45.3170-71.1-108.263.900111.4M1 L2 L3 L8 L9 L265 Y316 F317 W357M1-M5 WeakPolarHBondContact O-CB 3.41Å; M1-M5 WeakPolarHBondContact O-CG 3.28Å; M1-M5 PolarHBondContact O-N 3.39Å; L2-M5 WeakPolarHBondContact O-CB 3.27Å; L2-M5 PolarHBondContact O-N 3.14Å; L3-M5 VanDerWaalsContact C-N 3.34Å; M5-L8 PolarHBondContact O-N 3.37Å; M5-L9 VanDerWaalsContact O-CB 3.29Å; M5-L9 WeakPolarHBondContact O-CB 3.4Å; M5-L9 PolarHBondContact O-N 3.03Å; M5-L265 HydrophobicContact CG-CD2 4.36Å; M5-L265 HydrophobicContact SD-CD2 3.77Å; M5-Y316 HydrophobicContact CE-CE1 4.34Å; M5-F317 HydrophobicContact CE-CE1 4.33Å; M5-W357 HydrophobicContact CE-CD2 3.8Å; M5-W357 HydrophobicContact CE-CE3 3.27Å; M5-W357 HydrophobicContact CE-CH2 3.9Å; M5-W357 HydrophobicContact CE-CZ2 4.31Å; M5-W357 HydrophobicContact CE-CZ3 3.32Å; M5-W357 HydrophobicContact SD-CD2 4.09Å; M5-W357 HydrophobicContact SD-CE3 3.79Å; M5-W357 HydrophobicContact SD-CH2 3.23Å; M5-W357 WeakPolarHBondContact SD-CH2 3.31Å; M5-W357 HydrophobicContact SD-CZ2 3.5Å; M5-W357 VanDerWaalsContact SD-CZ2 3.5Å; M5-W357 HydrophobicContact SD-CZ3 3.35Å; M5-W357 WeakPolarHBondContact SD-CZ3 3.35Å
6L71.9Confident67.5Low88 Ų8870.6 Ų70.646%0.46138%0.377SS..Hα-helixtrans-62.9-44.9174.6-17864.2000110.6L2 L3 L9 L10L2-L6 WeakPolarHBondContact O-CB 3.45Å; L2-L6 PolarHBondContact O-N 3.27Å; L3-L6 PolarHBondContact O-N 3.02Å; L6-L9 PolarHBondContact O-N 3.4Å; L6-L10 HydrophobicContact CD1-CD1 4.1Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CD2-CD1 4.46Å; L6-L10 HydrophobicContact CG-CD1 3.82Å; L6-L10 HydrophobicContact CG-CG 4.26Å; L6-L10 VanDerWaalsContact O-CB 3.24Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 WeakPolarHBondContact O-CG 3.36Å; L6-L10 PolarHBondContact O-N 3.04Å
7L77.5Confident66.6Low104 Ų10470.8 Ų70.855%0.54538%0.382SS..Hα-helixtrans-63.6-39.3175.6-73.1168.7000112.4L3 F11L3-L7 HydrophobicContact CG-CD1 4.06Å; L3-L7 HydrophobicContact CG-CG 4.45Å; L3-L7 WeakPolarHBondContact O-CB 3.29Å; L3-L7 WeakPolarHBondContact O-CG 3.21Å; L3-L7 PolarHBondContact O-N 2.81Å; L7-F11 WeakPolarHBondContact O-CB 3.31Å; L7-F11 PolarHBondContact O-N 3.14Å
8L76.6Confident65.5Low48 Ų4877.7 Ų77.725%0.25141%0.408SS..Hα-helixtrans-69-39.6175-177.361.1000111.8S4 M5 F11 L12 Y316S4-L8 VanDerWaalsContact O-CB 3.29Å; S4-L8 WeakPolarHBondContact O-CB 3.34Å; S4-L8 PolarHBondContact O-N 3.27Å; M5-L8 PolarHBondContact O-N 3.37Å; L8-F11 HydrophobicContact CD1-CD1 4.32Å; L8-F11 PolarHBondContact O-N 3.01Å; L8-L12 HydrophobicContact CD1-CD1 4.5Å; L8-L12 HydrophobicContact CD1-CG 4.4Å; L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CB 3.29Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 3.17Å; L8-Y316 VanDerWaalsContact CD2-OH 3.28Å; L8-Y316 WeakPolarHBondContact CD2-OH 3.27Å
9L73.5Confident64.1Low26 Ų2677.2 Ų77.214%0.13642%0.423CS..Hα-helixtrans-65-45.6174.6-17767.5000111.1M5 L6 F11 L12 L13 M269 I312 L313 F317M5-L9 VanDerWaalsContact O-CB 3.29Å; M5-L9 WeakPolarHBondContact O-CB 3.4Å; M5-L9 PolarHBondContact O-N 3.03Å; L6-L9 PolarHBondContact O-N 3.4Å; L9-F11 VanDerWaalsContact C-N 3.28Å; L9-F11 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-L13 HydrophobicContact CD1-CD1 4.37Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.21Å; L9-L13 PolarHBondContact O-N 3.05Å; L9-M269 HydrophobicContact CD2-CE 3.64Å; L9-I312 HydrophobicContact CD1-CG2 4.3Å; L9-L313 HydrophobicContact CD1-CD2 4.49Å; L9-F317 HydrophobicContact CD1-CE2 4.22Å; L9-F317 HydrophobicContact CD1-CZ 4.45Å
10L79.5Confident62.8Low93 Ų9375.3 Ų75.349%0.48742%0.415SS..Hα-helixtrans-66.9-27.5174.5-71.1174.7000112.5L6 G14L6-L10 HydrophobicContact CD1-CD1 4.1Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CD2-CD1 4.46Å; L6-L10 HydrophobicContact CG-CD1 3.82Å; L6-L10 HydrophobicContact CG-CG 4.26Å; L6-L10 VanDerWaalsContact O-CB 3.24Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 WeakPolarHBondContact O-CG 3.36Å; L6-L10 PolarHBondContact O-N 3.04Å; L10-G14 VanDerWaalsContact O-CA 3.29Å; L10-G14 WeakPolarHBondContact O-CA 3.3Å; L10-G14 PolarHBondContact O-N 3.28Å
11F79.5Confident61.4Low125 Ų12577.7 Ų77.755%0.54843%0.428SS..Hα-helixtrans-73.2-46.7171.9177.4-102.6000110.8L7 L8 L9 L13 G14 L15L7-F11 WeakPolarHBondContact O-CB 3.31Å; L7-F11 PolarHBondContact O-N 3.14Å; L8-F11 HydrophobicContact CD1-CD1 4.32Å; L8-F11 PolarHBondContact O-N 3.01Å; L9-F11 VanDerWaalsContact C-N 3.28Å; L9-F11 PolarHBondContact O-N 3.49Å; F11-L13 VanDerWaalsContact C-N 3.31Å; F11-L13 PolarHBondContact O-N 2.59Å; F11-G14 PolarHBondContact O-N 3.26Å; F11-L15 HydrophobicContact CD1-CD1 3.93Å; F11-L15 HydrophobicContact CE1-CD1 3.52Å; F11-L15 HydrophobicContact CE1-CG 4.28Å; F11-L15 HydrophobicContact CE2-CD1 4.41Å; F11-L15 HydrophobicContact CE2-CD2 4.42Å; F11-L15 HydrophobicContact CE2-CG 4.33Å; F11-L15 HydrophobicContact CZ-CD1 3.79Å; F11-L15 HydrophobicContact CZ-CD2 4.29Å; F11-L15 HydrophobicContact CZ-CG 4.17Å; F11-L15 WeakPolarHBondContact O-CB 3.3Å; F11-L15 VanDerWaalsContact O-CG 3.25Å; F11-L15 WeakPolarHBondContact O-CG 3.21Å; F11-L15 PolarHBondContact O-N 3.22Å
12L71.9Confident60.6Low11 Ų1180.4 Ų80.46%0.05843%0.432CS..Hα-helixtrans-62.2-36.6174.3-70.5170.1000112.2L8 L9 M16 V365L8-L12 HydrophobicContact CD1-CD1 4.5Å; L8-L12 HydrophobicContact CD1-CG 4.4Å; L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CB 3.29Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 3.17Å; L9-L12 PolarHBondContact O-N 3.46Å; L12-M16 VanDerWaalsContact O-CG 3.25Å; L12-M16 WeakPolarHBondContact O-CG 3.4Å; L12-V365 HydrophobicContact CD2-CG2 4.48Å
13L71.6Confident59.8Low54 Ų5479.5 Ų79.528%0.28344%0.438SS..Hα-helixtrans-75.7-38.3172.6-68.8168.7000112.3L9 F11 M16 V17 A309L9-L13 HydrophobicContact CD1-CD1 4.37Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.21Å; L9-L13 PolarHBondContact O-N 3.05Å; F11-L13 VanDerWaalsContact C-N 3.31Å; F11-L13 PolarHBondContact O-N 2.59Å; L13-M16 CarbonylContact O-C 3.44Å; L13-M16 WeakPolarHBondContact O-CA 3.27Å; L13-M16 WeakPolarHBondContact O-CB 3.46Å; L13-M16 PolarHBondContact O-N 3.31Å; L13-V17 PolarHBondContact O-N 3.41Å; L13-A309 HydrophobicContact CD2-CB 4.26Å
14G63.3Low58.9Low32 Ų3278.1 Ų78.133%0.3344%0.437SS..Hα-helixtrans-73.3-31-177.600000113.6L10 F11 M16 V17 K18L10-G14 VanDerWaalsContact O-CA 3.29Å; L10-G14 WeakPolarHBondContact O-CA 3.3Å; L10-G14 PolarHBondContact O-N 3.28Å; F11-G14 PolarHBondContact O-N 3.26Å; G14-M16 PolarHBondContact O-N 3.08Å; G14-V17 PolarHBondContact O-N 2.97Å; G14-K18 PolarHBondContact O-N 3.4Å
15L63.2Low58.4Low86 Ų8676.6 Ų76.645%0.4543%0.429SS..Hα-helixtrans-58.9-26.4164.2-76173000112F11F11-L15 HydrophobicContact CD1-CD1 3.93Å; F11-L15 HydrophobicContact CE1-CD1 3.52Å; F11-L15 HydrophobicContact CE1-CG 4.28Å; F11-L15 HydrophobicContact CE2-CD1 4.41Å; F11-L15 HydrophobicContact CE2-CD2 4.42Å; F11-L15 HydrophobicContact CE2-CG 4.33Å; F11-L15 HydrophobicContact CZ-CD1 3.79Å; F11-L15 HydrophobicContact CZ-CD2 4.29Å; F11-L15 HydrophobicContact CZ-CG 4.17Å; F11-L15 WeakPolarHBondContact O-CB 3.3Å; F11-L15 VanDerWaalsContact O-CG 3.25Å; F11-L15 WeakPolarHBondContact O-CG 3.21Å; F11-L15 PolarHBondContact O-N 3.22Å
16M51.3Low59Low45 Ų4582.1 Ų82.122%0.22246%0.458CS..Hα-helixtrans-90.8-34.7180-58.1-68.1150.200112.6L12 L13 G14 K18 G19 S20 V308 M368L12-M16 VanDerWaalsContact O-CG 3.25Å; L12-M16 WeakPolarHBondContact O-CG 3.4Å; L13-M16 CarbonylContact O-C 3.44Å; L13-M16 WeakPolarHBondContact O-CA 3.27Å; L13-M16 WeakPolarHBondContact O-CB 3.46Å; L13-M16 PolarHBondContact O-N 3.31Å; G14-M16 PolarHBondContact O-N 3.08Å; M16-K18 VanDerWaalsContact C-N 3.32Å; M16-K18 PolarHBondContact O-N 3.45Å; M16-G19 PolarHBondContact O-N 2.98Å; M16-G19 VanDerWaalsContact O-N 3.07Å; M16-S20 PolarHBondContact O-N 3.28Å; M16-V308 HydrophobicContact CB-CG1 4.45Å; M16-V308 HydrophobicContact CG-CG1 3.83Å; M16-V308 HydrophobicContact SD-CG1 4.07Å; M16-M368 HydrophobicContact CE-CB 4.45Å; M16-M368 HydrophobicContact CE-CE 3.38Å; M16-M368 HydrophobicContact CE-CG 4.4Å; M16-M368 HydrophobicContact CG-CE 4.41Å; M16-M368 HydrophobicContact SD-CE 3.33Å; M16-M368 WeakPolarHBondContact SD-CE 3.29Å
17V52.2Low59.6Low75 Ų7578.9 Ų78.946%0.45544%0.442SS..Hα-helixtrans-60-45.2171.6178.50000110.2L13 G14 G19 S20 D21L13-V17 PolarHBondContact O-N 3.41Å; G14-V17 PolarHBondContact O-N 2.97Å; V17-G19 PolarHBondContact O-N 2.97Å; V17-G19 VanDerWaalsContact O-N 3.11Å; V17-S20 PolarHBondContact O-N 3.45Å; V17-S20 VanDerWaalsContact O-N 3.14Å; V17-D21 PolarHBondContact O-N 3.39Å
18K45.6Very low60.3Low195 Ų19577.7 Ų77.785%0.84843%0.434SS*.THydrogen-bonded Turntrans-66.2-8.2174.8-87.3-169.7169.8-171.80115.5G14 M16G14-K18 PolarHBondContact O-N 3.4Å; M16-K18 VanDerWaalsContact C-N 3.32Å; M16-K18 PolarHBondContact O-N 3.45Å
19G39Very low61Low68 Ų6882.9 Ų82.970%0.70145%0.45SS*.THydrogen-bonded Turntrans-108.3-1.3174.600000114.3M16 V17M16-G19 PolarHBondContact O-N 2.98Å; M16-G19 VanDerWaalsContact O-N 3.07Å; V17-G19 PolarHBondContact O-N 2.97Å; V17-G19 VanDerWaalsContact O-N 3.11Å
20S38.9Very low62Low39 Ų3982.4 Ų82.427%0.27345%0.447SS..THydrogen-bonded Turntrans-122.4-13.6-176.1-173.80000113.9M16 V17 W22M16-S20 PolarHBondContact O-N 3.28Å; V17-S20 PolarHBondContact O-N 3.45Å; V17-S20 VanDerWaalsContact O-N 3.14Å; S20-W22 PolarHBondContact O-N 2.79Å
21D31.9Very low62.6Low126 Ų12680.8 Ų80.867%0.67444%0.444SS*.  trans-75.5101.4166-75.4-26.1000109V17 A23V17-D21 PolarHBondContact O-N 3.39Å; D21-A23 PolarHBondContact O-N 3.47Å
22W37.6Very low63.2Low164 Ų16474.9 Ų74.962%0.62142%0.418SS*.  trans-64.289.1158-64.481.3000107.6S20 P46S20-W22 PolarHBondContact O-N 2.79Å; W22-P46 HydrophobicContact CH2-CG 3.99Å; W22-P46 HydrophobicContact CZ3-CG 4.27Å
23A37.3Very low64.1Low78 Ų7878.5 Ų78.565%0.64544%0.442SS*.  trans-52.2126.2149.300000105.8D21 A25D21-A23 PolarHBondContact O-N 3.47Å; A23-A25 PolarHBondContact O-N 3.37Å
24P46.3Very low64.9Low93 Ų9377 Ų7760%0.60444%0.436SS*.  trans-54.2116.2-174.620.7-32.2000107.9L26P24-L26 PolarHBondContact O-N 2.84Å
25A56.7Low66.4Low37 Ų3775.5 Ų75.531%0.30642%0.42SS..  trans-59.4115.8-16900000108.3A23 C27 R44A23-A25 PolarHBondContact O-N 3.37Å; A25-C27 PolarHBondContact O-N 3.24Å; A25-R44 HydrophobicContact CB-CG 4.22Å; A25-R44 PolarHBondContact O-NE 3.03Å; A25-R44 PolarHBondContact O-NH2 3.47Å
26L73Confident67.7Low138 Ų13878.9 Ų78.972%0.72343%0.427SS*.  trans-54.1142-178-79.5154.3000109.4P24 E28P24-L26 PolarHBondContact O-N 2.84Å; L26-E28 PolarHBondContact O-N 3.37Å
27C86.5Confident69.5Low19 Ų1982 Ų8213%0.12844%0.444CS..  trans-58.1115.3178.5-66.90000109.8A25 F42 C88A25-C27 PolarHBondContact O-N 3.24Å; C27-F42 HydrophobicContact CB-CB 4.16Å; C27-F42 HydrophobicContact CB-CD1 4.25Å; C27-F42 HydrophobicContact CB-CG 4.48Å; C27-C88 WeakPolarHBondContact CA-SG 2.97Å; C27-C88 HydrophobicContact CB-CB 3.74Å; C27-C88 WeakPolarHBondContact CB-SG 3.22Å; C27-C88 VanDerWaalsContact SG-C 3.52Å; C27-C88 WeakPolarHBondContact SG-CB 3.38Å; C27-C88 CovalentContact SG-SG 2.04Å; C27-C88 PolarHBondContact SG-SG 3.01Å
28E90.3Very high71.4Confident80 Ų8079.1 Ų79.137%0.37443%0.426SS..EExtended strand (participates in β ladder)trans-101.2151.3-17853.3164.3-152.900111.5L26 F42 T43 Q54L26-E28 PolarHBondContact O-N 3.37Å; E28-F42 CarbonylContact O-C 3.55Å; E28-F42 VanDerWaalsContact O-CA 3.28Å; E28-F42 WeakPolarHBondContact O-CA 3.14Å; E28-T43 HydrophobicContact CG-CG2 4.13Å; E28-T43 WeakPolarHBondContact CG-O 3.46Å; E28-T43 PolarHBondContact N-O 3.32Å; E28-T43 PolarHBondContact O-N 3.39Å; E28-Q54 WeakPolarHBondContact OE1-CG 3.46Å; E28-Q54 PolarHBondContact OE1-NE2 3.13Å
29R92.2Very high73.5Confident157 Ų15775.1 Ų75.159%0.59242%0.42SS*.EExtended strand (participates in β ladder)trans-72.8137.2-178.2179.4174.2-73.1-87.71.5110.7S31 N41 Q54R29-S31 PolarHBondContact O-N 3.33Å; R29-N41 WeakPolarHBondContact CA-O 3.42Å; R29-Q54 PolarHBondContact O-NE2 3.07Å; R29-Q54 PolarHBondContact O-OE1 3.21Å
30I93.5Very high76.1Confident15 Ų1572.6 Ų72.68%0.07739%0.389CS..PPolyproline II helixtrans-66.6124.7176.7-59168.2000110.2V32 C35 Y40 N41 T43 T85I30-V32 HydrophobicContact CG2-CB 4.43Å; I30-C35 HydrophobicContact CG2-CB 4.09Å; I30-Y40 HydrophobicContact CD1-CD2 3.79Å; I30-Y40 HydrophobicContact CD1-CE2 3.59Å; I30-N41 PolarHBondContact N-O 3.48Å; I30-T43 HydrophobicContact CG1-CG2 3.85Å; I30-T85 HydrophobicContact CG2-CG2 4.33Å
31S92.8Very high78.6Confident59 Ų5974.5 Ų74.541%0.41340%0.396SS..  trans-120.3-18.2-177.171.40000112.3R29 P33 R36 Q54R29-S31 PolarHBondContact O-N 3.33Å; S31-P33 WeakPolarHBondContact O-CD 3.46Å; S31-R36 VanDerWaalsContact O-CZ 3.26Å; S31-R36 PolarHBondContact O-NE 2.9Å; S31-R36 PolarHBondContact O-NH2 3.14Å; S31-Q54 PolarHBondContact OG-OE1 3.15Å
32V91.3Very high81.5Confident2 Ų272.6 Ų72.61%0.01238%0.382CS..  trans-55.1115.2173.9179.70000110.4I30 V34 C35 R36 Q54 V57 A58 M61 T85I30-V32 HydrophobicContact CG2-CB 4.43Å; V32-V34 VanDerWaalsContact C-N 3.34Å; V32-V34 PolarHBondContact O-N 3.21Å; V32-C35 HydrophobicContact CB-CB 4.48Å; V32-C35 PolarHBondContact O-N 2.9Å; V32-R36 WeakPolarHBondContact O-CG 3.48Å; V32-R36 PolarHBondContact O-N 3.34Å; V32-Q54 HydrophobicContact CG2-CB 3.99Å; V32-Q54 HydrophobicContact CG2-CG 4.24Å; V32-V57 HydrophobicContact CG2-CB 4.03Å; V32-V57 HydrophobicContact CG2-CG1 3.84Å; V32-A58 HydrophobicContact CG1-CB 4.25Å; V32-A58 HydrophobicContact CG2-CB 4.47Å; V32-M61 HydrophobicContact CG1-CG 4.27Å; V32-T85 HydrophobicContact CB-CG2 4.29Å; V32-T85 HydrophobicContact CG2-CG2 3.83Å
33P90.8Very high84.1Confident86 Ų8664.8 Ų64.856%0.55835%0.353SS*.G310 helixtrans-52.7-44.3-168.6-30.136.1000115.1S31 C35S31-P33 WeakPolarHBondContact O-CD 3.46Å; P33-C35 PolarHBondContact O-N 3.18Å
34V89.7Confident86.4Confident24 Ų2462.2 Ų62.215%0.14533%0.326CS..G310 helixtrans-64.2-27.4-178.9-178.30000112.6V32 E65 I68 K77V32-V34 VanDerWaalsContact C-N 3.34Å; V32-V34 PolarHBondContact O-N 3.21Å; V34-E65 HydrophobicContact CG2-CG 4.06Å; V34-E65 VanDerWaalsContact CG2-OE1 3.31Å; V34-E65 WeakPolarHBondContact CG2-OE1 3.04Å; V34-I68 HydrophobicContact CG1-CD1 3.72Å; V34-K77 WeakPolarHBondContact O-CE 3.41Å; V34-K77 PolarHBondContact O-NZ 3.12Å
35C93.5Very high88.1Confident0 Ų058.3 Ų58.30%030%0.3CS..G310 helixtrans-110.611.4-172.1-60.40000114.4I30 V32 P33 D37 M38 C81I30-C35 HydrophobicContact CG2-CB 4.09Å; V32-C35 HydrophobicContact CB-CB 4.48Å; V32-C35 PolarHBondContact O-N 2.9Å; P33-C35 PolarHBondContact O-N 3.18Å; C35-D37 VanDerWaalsContact C-N 3.29Å; C35-D37 PolarHBondContact O-N 3.3Å; C35-M38 HydrophobicContact CB-CG 4.21Å; C35-M38 VanDerWaalsContact O-CG 3.3Å; C35-M38 WeakPolarHBondContact O-CG 3.3Å; C35-C81 WeakPolarHBondContact CA-SG 3.42Å; C35-C81 HydrophobicContact CB-CB 3.76Å; C35-C81 WeakPolarHBondContact CB-SG 3.36Å; C35-C81 VanDerWaalsContact SG-CA 3.52Å; C35-C81 WeakPolarHBondContact SG-CB 3.4Å; C35-C81 CovalentContact SG-SG 2.04Å; C35-C81 PolarHBondContact SG-SG 3.46Å
36R91.5Very high89.4Confident157 Ų15758.5 Ų58.559%0.59230%0.299SS*.THydrogen-bonded Turntrans-69-23.1-179.7-69.7-175.7-175.41751.1114.5S31 V32S31-R36 VanDerWaalsContact O-CZ 3.26Å; S31-R36 PolarHBondContact O-NE 2.9Å; S31-R36 PolarHBondContact O-NH2 3.14Å; V32-R36 WeakPolarHBondContact O-CG 3.48Å; V32-R36 PolarHBondContact O-N 3.34Å
37D90.1Very high89.9Confident109 Ų10952.1 Ų52.158%0.58327%0.265SS*.THydrogen-bonded Turntrans-99.922.7-176.860.4-47.5000113.2C35 K77C35-D37 VanDerWaalsContact C-N 3.29Å; C35-D37 PolarHBondContact O-N 3.3Å; D37-K77 WeakPolarHBondContact OD1-CE 3.38Å; D37-K77 IonicContact OD1-NZ 3.11Å; D37-K77 PolarHBondContact OD1-NZ 2.68Å; D37-K77 IonicContact OD2-NZ 3.11Å; D37-K77 PolarHBondContact OD2-NZ 2.7Å
38M91.7Very high89.4Confident16 Ų1655.4 Ų55.48%0.07928%0.281CS..SBendtrans-72.7156.2176-73.1-64.6-71.700112.5C35 Y40 F78 C81C35-M38 HydrophobicContact CB-CG 4.21Å; C35-M38 VanDerWaalsContact O-CG 3.3Å; C35-M38 WeakPolarHBondContact O-CG 3.3Å; M38-Y40 HydrophobicContact CB-CD1 4.49Å; M38-Y40 HydrophobicContact CB-CE1 4.33Å; M38-Y40 HydrophobicContact CE-CD1 4.39Å; M38-Y40 HydrophobicContact CE-CE1 3.43Å; M38-Y40 VanDerWaalsContact CE-CE1 3.43Å; M38-Y40 PolarHBondContact O-N 2.79Å; M38-F78 HydrophobicContact CE-CB 4.48Å; M38-F78 HydrophobicContact CE-CD2 3.51Å; M38-F78 HydrophobicContact CE-CE2 3.86Å; M38-F78 HydrophobicContact CE-CG 4.13Å; M38-F78 HydrophobicContact SD-CD2 4.43Å; M38-C81 HydrophobicContact CE-CB 3.62Å; M38-C81 HydrophobicContact CG-CB 3.72Å; M38-C81 HydrophobicContact SD-CB 3.47Å; M38-C81 WeakPolarHBondContact SD-CB 3.39Å
39P90.1Very high88.7Confident111 Ų11152.7 Ų52.772%0.72127%0.269SS*.SBendtrans-62.9-10.6175.8-2435.7000115F78P39-F78 HydrophobicContact CG-CD2 4.34Å; P39-F78 HydrophobicContact CG-CE2 4.12Å
40Y91.8Very high87.9Confident14 Ų1445.9 Ų45.96%0.05525%0.247CC..  trans-127.8148.3176.460.1-93.5000109.8I30 M38 C81 S82 T85 M87 M140I30-Y40 HydrophobicContact CD1-CD2 3.79Å; I30-Y40 HydrophobicContact CD1-CE2 3.59Å; M38-Y40 HydrophobicContact CB-CD1 4.49Å; M38-Y40 HydrophobicContact CB-CE1 4.33Å; M38-Y40 HydrophobicContact CE-CD1 4.39Å; M38-Y40 HydrophobicContact CE-CE1 3.43Å; M38-Y40 VanDerWaalsContact CE-CE1 3.43Å; M38-Y40 PolarHBondContact O-N 2.79Å; Y40-C81 PolarHBondContact OH-O 2.98Å; Y40-S82 VanDerWaalsContact OH-CA 3.32Å; Y40-S82 WeakPolarHBondContact OH-CA 3.25Å; Y40-S82 PolarHBondContact OH-N 3.48Å; Y40-T85 WeakPolarHBondContact CE2-O 3.3Å; Y40-T85 PolarHBondContact OH-O 2.86Å; Y40-M87 HydrophobicContact CD1-CB 4.06Å; Y40-M87 HydrophobicContact CD1-CG 4.4Å; Y40-M87 HydrophobicContact CD1-SD 4.29Å; Y40-M87 HydrophobicContact CD2-CB 3.72Å; Y40-M87 HydrophobicContact CD2-CG 4.05Å; Y40-M87 HydrophobicContact CE1-CB 4.28Å; Y40-M87 HydrophobicContact CE2-CB 3.96Å; Y40-M87 HydrophobicContact CG-CB 3.79Å; Y40-M87 HydrophobicContact CG-CG 3.86Å; Y40-M87 HydrophobicContact CG-SD 4.1Å; Y40-M140 HydrophobicContact CD1-CE 4.43Å; Y40-M140 HydrophobicContact CD1-SD 3.95Å; Y40-M140 HydrophobicContact CE1-CE 3.87Å; Y40-M140 HydrophobicContact CE1-SD 3.95Å
41N92.7Very high87.2Confident79 Ų7945.6 Ų45.642%0.42225%0.246SC..  trans-106.8-7.5-169.1-71-62000114.7R29 I30R29-N41 WeakPolarHBondContact CA-O 3.42Å; I30-N41 PolarHBondContact N-O 3.48Å
42F92.8Very high86.7Confident87 Ų8747 Ų4738%0.38225%0.246SC..EExtended strand (participates in β ladder)trans-127.6138.8-168.2-69-83.2000111.7C27 E28 C88C27-F42 HydrophobicContact CB-CB 4.16Å; C27-F42 HydrophobicContact CB-CD1 4.25Å; C27-F42 HydrophobicContact CB-CG 4.48Å; E28-F42 CarbonylContact O-C 3.55Å; E28-F42 VanDerWaalsContact O-CA 3.28Å; E28-F42 WeakPolarHBondContact O-CA 3.14Å; F42-C88 PolarHBondContact O-N 3.37Å
43T91.5Very high86.3Confident0 Ų049.7 Ų49.70%026%0.26CS..EExtended strand (participates in β ladder)trans-131.1164.5178.6-171.50000110.5E28 I30 Q54 T85 P86 C88E28-T43 HydrophobicContact CG-CG2 4.13Å; E28-T43 WeakPolarHBondContact CG-O 3.46Å; E28-T43 PolarHBondContact N-O 3.32Å; E28-T43 PolarHBondContact O-N 3.39Å; I30-T43 HydrophobicContact CG1-CG2 3.85Å; T43-Q54 HydrophobicContact CG2-CG 4.46Å; T43-T85 WeakPolarHBondContact OG1-CA 3.36Å; T43-P86 VanDerWaalsContact CA-O 3.3Å; T43-P86 WeakPolarHBondContact CA-O 3.3Å; T43-P86 WeakPolarHBondContact CB-O 3.41Å; T43-P86 PolarHBondContact OG1-O 3.01Å; T43-P86 VanDerWaalsContact OG1-O 3.08Å; T43-C88 VanDerWaalsContact C-CB 3.45Å
44R86.2Confident86.3Confident23 Ų2346.3 Ų46.39%0.08724%0.237CC..  trans-132.8137.3171.9166.1179-71.7154.55.4107.5A25 C88 M92 D93A25-R44 HydrophobicContact CB-CG 4.22Å; A25-R44 PolarHBondContact O-NE 3.03Å; A25-R44 PolarHBondContact O-NH2 3.47Å; R44-C88 HydrophobicContact CB-CB 3.9Å; R44-C88 VanDerWaalsContact CB-SG 3.56Å; R44-M92 PolarHBondContact NH1-O 3.47Å; R44-D93 VanDerWaalsContact NH1-C 3.32Å; R44-D93 PolarHBondContact NH1-O 3.45Å
45L82Confident86.2Confident11 Ų1152.6 Ų52.66%0.05827%0.265CS..SBendtrans-113.8148.2176.1-64.5177.9000109.9N47 Q54 V57L45-N47 HydrophobicContact CD2-CB 3.71Å; L45-Q54 HydrophobicContact CD1-CG 3.83Å; L45-V57 HydrophobicContact CD1-CG2 4.03Å; L45-V57 HydrophobicContact CD2-CG2 3.96Å
46P84Confident85.8Confident42 Ų4253.5 Ų53.527%0.27327%0.271SS..SBendcis-71.5145.97.429.3-37.1000114.7W22 D51W22-P46 HydrophobicContact CH2-CG 3.99Å; W22-P46 HydrophobicContact CZ3-CG 4.27Å; P46-D51 VanDerWaalsContact CA-O 3.24Å; P46-D51 WeakPolarHBondContact CA-O 3.3Å
47N83.3Confident85.7Confident4 Ų446 Ų462%0.02124%0.243CC..  trans-76.5-178.1170.566.615.5000111L45 I49 G50 D51 F84 P86L45-N47 HydrophobicContact CD2-CB 3.71Å; N47-I49 PolarHBondContact O-N 3.42Å; N47-I49 VanDerWaalsContact O-N 3.13Å; N47-I49 WeakPolarHBondContact OD1-CA 3.42Å; N47-I49 PolarHBondContact OD1-N 3.32Å; N47-G50 PolarHBondContact O-N 3.22Å; N47-G50 VanDerWaalsContact O-N 3.08Å; N47-G50 PolarHBondContact OD1-N 3.44Å; N47-D51 PolarHBondContact ND2-OD2 2.98Å; N47-D51 PolarHBondContact OD1-N 2.95Å; N47-F84 WeakPolarHBondContact CB-O 3.41Å; N47-F84 WeakPolarHBondContact ND2-CA 3.49Å; N47-F84 PolarHBondContact ND2-O 2.96Å; N47-P86 HydrophobicContact CB-CG 4.37Å
48L74.8Confident85.6Confident87 Ų8742.4 Ų42.446%0.45523%0.228SC..THydrogen-bonded Turntrans-58.5-25.2179.3-79.4152000113.9V83 T97 F130L48-V83 HydrophobicContact CB-CG1 4.37Å; L48-V83 HydrophobicContact CD1-CG1 4.44Å; L48-T97 HydrophobicContact CD1-CG2 4.06Å; L48-F130 HydrophobicContact CD1-CE1 4.32Å
49I76Confident85.3Confident24 Ų2447 Ų4712%0.12325%0.25CS..THydrogen-bonded Turntrans-91.6-18.2-177.6-60.2169.9000111.1N47 V83 F84 V124N47-I49 PolarHBondContact O-N 3.42Å; N47-I49 VanDerWaalsContact O-N 3.13Å; N47-I49 WeakPolarHBondContact OD1-CA 3.42Å; N47-I49 PolarHBondContact OD1-N 3.32Å; I49-V83 HydrophobicContact CD1-CG1 3.87Å; I49-V83 HydrophobicContact CG1-CG1 4.2Å; I49-F84 HydrophobicContact CD1-CD1 3.78Å; I49-F84 HydrophobicContact CD1-CD2 3.97Å; I49-F84 HydrophobicContact CD1-CE1 3.33Å; I49-F84 HydrophobicContact CD1-CE2 3.58Å; I49-F84 HydrophobicContact CD1-CG 4.08Å; I49-F84 HydrophobicContact CD1-CZ 3.23Å; I49-V124 HydrophobicContact CD1-CB 4.33Å; I49-V124 HydrophobicContact CD1-CG2 4.42Å; I49-V124 HydrophobicContact CG1-CB 4.26Å
50G76.3Confident85Confident13 Ų1342.8 Ų42.813%0.13422%0.224CC..  trans97.210.2176.600000115.1N47 Q52N47-G50 PolarHBondContact O-N 3.22Å; N47-G50 VanDerWaalsContact O-N 3.08Å; N47-G50 PolarHBondContact OD1-N 3.44Å; G50-Q52 PolarHBondContact O-N 3.49Å; G50-Q52 PolarHBondContact O-NE2 3.49Å
51D79.3Confident84.8Confident9 Ų942.1 Ų42.15%0.04822%0.221CC..  trans-58.1130.1170.9-64.3-52.5000109.5P46 N47 V57 S60 H200P46-D51 VanDerWaalsContact CA-O 3.24Å; P46-D51 WeakPolarHBondContact CA-O 3.3Å; N47-D51 PolarHBondContact ND2-OD2 2.98Å; N47-D51 PolarHBondContact OD1-N 2.95Å; D51-V57 HydrophobicContact CB-CG2 3.5Å; D51-S60 PolarHBondContact OD1-OG 2.95Å; D51-S60 VanDerWaalsContact OD1-OG 3.08Å; D51-H200 IonicContact OD1-CD2 2.74Å; D51-H200 PolarHBondContact OD1-CD2 2.96Å; D51-H200 IonicContact OD1-NE2 3.28Å
52Q80.4Confident84.4Confident89 Ų8943.8 Ų43.842%0.41623%0.226SC..  trans-89.4-21.8-173.1-57.8-64.7-61.400113.3G50G50-Q52 PolarHBondContact O-N 3.49Å; G50-Q52 PolarHBondContact O-NE2 3.49Å
53D84.6Confident83.8Confident59 Ų5945.8 Ų45.832%0.31624%0.241SC..SBendtrans-147.4159-174.572.988.6000110.9Q55 S56 V57D53-Q55 VanDerWaalsContact C-N 3.28Å; D53-Q55 PolarHBondContact O-N 3.23Å; D53-Q55 VanDerWaalsContact OD1-CA 3.28Å; D53-Q55 WeakPolarHBondContact OD1-CA 3.29Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.25Å; D53-Q55 PolarHBondContact OD1-N 2.86Å; D53-S56 WeakPolarHBondContact O-CB 3.43Å; D53-S56 PolarHBondContact O-N 3.06Å; D53-S56 PolarHBondContact OD1-N 2.98Å; D53-S56 WeakPolarHBondContact OD2-CB 3.39Å; D53-S56 PolarHBondContact OD2-OG 2.8Å; D53-V57 WeakPolarHBondContact O-CG2 3.44Å; D53-V57 PolarHBondContact O-N 2.5Å; D53-V57 VanDerWaalsContact O-N 3.09Å
54Q90Very high83.6Confident15 Ų1547.2 Ų47.27%0.0725%0.247CC..Hα-helixtrans-71.8-14.2-175.9-72.5-176.247.200115.2E28 R29 S31 V32 T43 L45 A58E28-Q54 WeakPolarHBondContact OE1-CG 3.46Å; E28-Q54 PolarHBondContact OE1-NE2 3.13Å; R29-Q54 PolarHBondContact O-NE2 3.07Å; R29-Q54 PolarHBondContact O-OE1 3.21Å; S31-Q54 PolarHBondContact OG-OE1 3.15Å; V32-Q54 HydrophobicContact CG2-CB 3.99Å; V32-Q54 HydrophobicContact CG2-CG 4.24Å; T43-Q54 HydrophobicContact CG2-CG 4.46Å; L45-Q54 HydrophobicContact CD1-CG 3.83Å; Q54-A58 WeakPolarHBondContact O-CB 3.4Å; Q54-A58 PolarHBondContact O-N 3.1Å
55Q88Confident83.5Confident156 Ų15649.8 Ų49.873%0.72926%0.26SS*.Hα-helixtrans-75.1-43.7173.5-49.3177.4-2.200109D53 A58 M59D53-Q55 VanDerWaalsContact C-N 3.28Å; D53-Q55 PolarHBondContact O-N 3.23Å; D53-Q55 VanDerWaalsContact OD1-CA 3.28Å; D53-Q55 WeakPolarHBondContact OD1-CA 3.29Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.25Å; D53-Q55 PolarHBondContact OD1-N 2.86Å; Q55-A58 PolarHBondContact O-N 2.79Å; Q55-M59 WeakPolarHBondContact O-CG 3.47Å; Q55-M59 PolarHBondContact O-N 2.93Å
56S84.9Confident83.6Confident18 Ų1853.3 Ų53.313%0.12628%0.284CS..Hα-helixtrans-55-49.3167.9-62.30000111.3D53 A58 M59 S60 H200D53-S56 WeakPolarHBondContact O-CB 3.43Å; D53-S56 PolarHBondContact O-N 3.06Å; D53-S56 PolarHBondContact OD1-N 2.98Å; D53-S56 WeakPolarHBondContact OD2-CB 3.39Å; D53-S56 PolarHBondContact OD2-OG 2.8Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 3.28Å; S56-M59 PolarHBondContact O-N 3.26Å; S56-S60 PolarHBondContact O-N 2.83Å; S56-S60 PolarHBondContact O-OG 2.76Å; S56-H200 PolarHBondContact O-NE2 2.99Å
57V88.4Confident83.6Confident0 Ų051.9 Ų51.90%027%0.274CS..Hα-helixtrans-58.2-42175.6-178.90000112.5V32 L45 D51 D53 M59 S60 M61 F84 T85V32-V57 HydrophobicContact CG2-CB 4.03Å; V32-V57 HydrophobicContact CG2-CG1 3.84Å; L45-V57 HydrophobicContact CD1-CG2 4.03Å; L45-V57 HydrophobicContact CD2-CG2 3.96Å; D51-V57 HydrophobicContact CB-CG2 3.5Å; D53-V57 WeakPolarHBondContact O-CG2 3.44Å; D53-V57 PolarHBondContact O-N 2.5Å; D53-V57 VanDerWaalsContact O-N 3.09Å; V57-M59 VanDerWaalsContact C-N 3.32Å; V57-M59 PolarHBondContact O-N 2.93Å; V57-S60 PolarHBondContact O-N 3.22Å; V57-M61 WeakPolarHBondContact O-CB 3.46Å; V57-M61 PolarHBondContact O-N 3.01Å; V57-F84 HydrophobicContact CG1-CB 3.84Å; V57-F84 HydrophobicContact CG1-CD1 4.32Å; V57-T85 HydrophobicContact CG1-CG2 3.91Å
58A88.4Confident83.9Confident33 Ų3353 Ų5327%0.27328%0.28SS..Hα-helixtrans-66-34.2179.700000112.6V32 Q54 Q55 S56 H62V32-A58 HydrophobicContact CG1-CB 4.25Å; V32-A58 HydrophobicContact CG2-CB 4.47Å; Q54-A58 WeakPolarHBondContact O-CB 3.4Å; Q54-A58 PolarHBondContact O-N 3.1Å; Q55-A58 PolarHBondContact O-N 2.79Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 3.28Å; A58-H62 PolarHBondContact O-N 3.16Å
59M85.9Confident84.5Confident112 Ų11254.9 Ų54.955%0.55229%0.29SS*.Hα-helixtrans-68.5-47.1171.3-66.3-175.2-66.200111.1Q55 S56 V57 M61 H62Q55-M59 WeakPolarHBondContact O-CG 3.47Å; Q55-M59 PolarHBondContact O-N 2.93Å; S56-M59 PolarHBondContact O-N 3.26Å; V57-M59 VanDerWaalsContact C-N 3.32Å; V57-M59 PolarHBondContact O-N 2.93Å; M59-M61 PolarHBondContact O-N 2.85Å; M59-H62 WeakPolarHBondContact O-CB 3.43Å; M59-H62 PolarHBondContact O-N 3.11Å; M59-H62 VanDerWaalsContact O-N 3.16Å
60S83.5Confident85Confident23 Ų2357.6 Ų57.616%0.16130%0.304CS..Hα-helixtrans-62.9-30.5178.6-48.50000112.6D51 S56 V57 F64 H200D51-S60 PolarHBondContact OD1-OG 2.95Å; D51-S60 VanDerWaalsContact OD1-OG 3.08Å; S56-S60 PolarHBondContact O-N 2.83Å; S56-S60 PolarHBondContact O-OG 2.76Å; V57-S60 PolarHBondContact O-N 3.22Å; S60-F64 WeakPolarHBondContact O-CD2 3.32Å; S60-H200 PolarHBondContact OG-NE2 3.13Å
61M87Confident85.6Confident0 Ų065 Ų650%033%0.332CS..Hα-helixtrans-69.8-30.3175.2-99.7-70.5154.800114.3V32 V57 M59 D63 F64 E65 L80 F84V32-M61 HydrophobicContact CG1-CG 4.27Å; V57-M61 WeakPolarHBondContact O-CB 3.46Å; V57-M61 PolarHBondContact O-N 3.01Å; M59-M61 PolarHBondContact O-N 2.85Å; M61-D63 PolarHBondContact O-N 3.4Å; M61-F64 PolarHBondContact O-N 2.96Å; M61-E65 PolarHBondContact O-N 3.24Å; M61-L80 HydrophobicContact CE-CB 3.77Å; M61-L80 WeakPolarHBondContact CE-O 3.08Å; M61-F84 HydrophobicContact CE-CB 3.57Å; M61-F84 HydrophobicContact CE-CD1 4.26Å; M61-F84 HydrophobicContact CE-CD2 3.24Å; M61-F84 HydrophobicContact CE-CE2 3.9Å; M61-F84 HydrophobicContact CE-CG 3.44Å; M61-F84 VanDerWaalsContact CE-CG 3.44Å; M61-F84 HydrophobicContact CG-CG 4.47Å
62H84.6Confident86.2Confident115 Ų11565.8 Ų65.853%0.53234%0.339SS..Hα-helixtrans-59.3-35-175.9179.3-88.2000112A58 M59 F64 E65A58-H62 PolarHBondContact O-N 3.16Å; M59-H62 WeakPolarHBondContact O-CB 3.43Å; M59-H62 PolarHBondContact O-N 3.11Å; M59-H62 VanDerWaalsContact O-N 3.16Å; H62-F64 PolarHBondContact O-N 3.33Å; H62-E65 IonicContact CD2-OE2 3.92Å; H62-E65 PolarHBondContact O-N 2.95Å
63D81.4Confident86.8Confident128 Ų12862.3 Ų62.368%0.68432%0.324SS*.THydrogen-bonded Turntrans-65.4-19177-71.1-9.4000113.5M61M61-D63 PolarHBondContact O-N 3.4Å
64F86.1Confident87.2Confident31 Ų3165.8 Ų65.814%0.13635%0.347CS..THydrogen-bonded Turntrans-98.7-10.6178.2-63.7-90.9000113.6S60 M61 H62 L67 I68 L80 F84 P122 L125S60-F64 WeakPolarHBondContact O-CD2 3.32Å; M61-F64 PolarHBondContact O-N 2.96Å; H62-F64 PolarHBondContact O-N 3.33Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 3.08Å; F64-I68 WeakPolarHBondContact O-CG1 3.44Å; F64-I68 PolarHBondContact O-N 3.37Å; F64-L80 HydrophobicContact CB-CD1 4.01Å; F64-L80 HydrophobicContact CD1-CD1 4.44Å; F64-L80 HydrophobicContact CD1-CD2 3.8Å; F64-L80 HydrophobicContact CE1-CD2 4.26Å; F64-L80 HydrophobicContact CG-CD2 4.21Å; F64-F84 HydrophobicContact CD2-CE2 4.34Å; F64-F84 AromaticContact CD2-CZ 3.94Å; F64-F84 HydrophobicContact CD2-CZ 3.94Å; F64-F84 HydrophobicContact CE2-CE1 4.38Å; F64-F84 HydrophobicContact CE2-CE2 4.09Å; F64-F84 AromaticContact CE2-CZ 3.46Å; F64-F84 HydrophobicContact CE2-CZ 3.46Å; F64-F84 VanDerWaalsContact CE2-CZ 3.46Å; F64-F84 HydrophobicContact CZ-CE2 4.42Å; F64-F84 HydrophobicContact CZ-CZ 4.03Å; F64-P122 HydrophobicContact CE1-CG 4.32Å; F64-L125 HydrophobicContact CE1-CD1 3.92Å
65E85.1Confident87.3Confident77 Ų7766 Ų6636%0.3635%0.349SS..Hα-helixtrans-53.8-44.8177.1-69.6-176.4-178.300112.8V34 M61 H62 L67 I68 D69V34-E65 HydrophobicContact CG2-CG 4.06Å; V34-E65 VanDerWaalsContact CG2-OE1 3.31Å; V34-E65 WeakPolarHBondContact CG2-OE1 3.04Å; M61-E65 PolarHBondContact O-N 3.24Å; H62-E65 IonicContact CD2-OE2 3.92Å; H62-E65 PolarHBondContact O-N 2.95Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.01Å; E65-I68 WeakPolarHBondContact O-CB 3.37Å; E65-I68 PolarHBondContact O-N 3.19Å; E65-I68 VanDerWaalsContact O-N 3.13Å; E65-D69 PolarHBondContact O-N 2.72Å
66P83.8Confident87.6Confident85 Ų8558.7 Ų58.755%0.55232%0.315SS*.Hα-helixtrans-61.4-31.2176.2-23.634.9000113.9I70P66-I70 WeakPolarHBondContact O-CG1 3.45Å; P66-I70 PolarHBondContact O-N 3.5Å
67L84.8Confident88Confident11 Ų1161 Ų616%0.05832%0.322CS..Hα-helixtrans-76.3-35.2177.3-175.360.1000111.6F64 E65 D69 I70 L76 L114F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 3.08Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.01Å; L67-D69 VanDerWaalsContact C-N 3.33Å; L67-I70 HydrophobicContact CD1-CD1 4.49Å; L67-I70 PolarHBondContact O-N 2.93Å; L67-L76 HydrophobicContact CD2-CD1 4.36Å; L67-L76 HydrophobicContact CG-CD2 3.99Å; L67-L76 WeakPolarHBondContact O-CD2 3.32Å; L67-L114 HydrophobicContact CD1-CD1 4.26Å; L67-L114 HydrophobicContact CD1-CD2 3.88Å; L67-L114 HydrophobicContact CD1-CG 3.93Å; L67-L114 HydrophobicContact CD2-CD1 3.98Å; L67-L114 HydrophobicContact CD2-CD2 4.35Å; L67-L114 HydrophobicContact CD2-CG 4.48Å
68I88.2Confident88.2Confident29 Ų2962.1 Ų62.115%0.14933%0.327CS..Hα-helixtrans-62.5-42.3172.8-66.2168.5000110.2V34 F64 E65 I70 K71 L76 L80V34-I68 HydrophobicContact CG1-CD1 3.72Å; F64-I68 WeakPolarHBondContact O-CG1 3.44Å; F64-I68 PolarHBondContact O-N 3.37Å; E65-I68 WeakPolarHBondContact O-CB 3.37Å; E65-I68 PolarHBondContact O-N 3.19Å; E65-I68 VanDerWaalsContact O-N 3.13Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.28Å; I68-K71 WeakPolarHBondContact O-CG 3.3Å; I68-K71 PolarHBondContact O-N 3.03Å; I68-K71 VanDerWaalsContact O-N 3.08Å; I68-L76 HydrophobicContact CG1-CD2 4.4Å; I68-L80 HydrophobicContact CD1-CD1 3.88Å; I68-L80 HydrophobicContact CG1-CD1 3.66Å
69D87Confident88.5Confident125 Ų12560.6 Ų60.667%0.66831%0.314SS*.Hα-helixtrans-66.5-30178.2-83.7-16.6000114E65 L67 K71E65-D69 PolarHBondContact O-N 2.72Å; L67-D69 VanDerWaalsContact C-N 3.33Å; D69-K71 PolarHBondContact O-N 3.31Å
70I86.9Confident88.9Confident82 Ų8255.2 Ų55.242%0.42129%0.288SS..Hα-helixtrans-63.8-23.1172.3-71.5166.4000111.9P66 L67 I68 C72 P113 F117P66-I70 WeakPolarHBondContact O-CG1 3.45Å; P66-I70 PolarHBondContact O-N 3.5Å; L67-I70 HydrophobicContact CD1-CD1 4.49Å; L67-I70 PolarHBondContact O-N 2.93Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.28Å; I70-C72 HydrophobicContact CG2-CB 4.12Å; I70-C72 PolarHBondContact O-N 3.39Å; I70-P113 HydrophobicContact CG2-CB 4.39Å; I70-F117 HydrophobicContact CD1-CE2 4.49Å
71K89Confident89.4Confident167 Ų16754.1 Ų54.173%0.72628%0.28SS*.THydrogen-bonded Turntrans52.835.7176.8-65.1173.5-176.91720114.2I68 D69 S73I68-K71 WeakPolarHBondContact O-CG 3.3Å; I68-K71 PolarHBondContact O-N 3.03Å; I68-K71 VanDerWaalsContact O-N 3.08Å; D69-K71 PolarHBondContact O-N 3.31Å; K71-S73 PolarHBondContact O-N 2.98Å
72C92.3Very high89.7Confident27 Ų2754.1 Ų54.118%0.18228%0.28CS..  trans-62.5-23-178.748.40000114.4I70 S109 C110 P113I70-C72 HydrophobicContact CG2-CB 4.12Å; I70-C72 PolarHBondContact O-N 3.39Å; C72-S109 WeakPolarHBondContact O-CB 3.41Å; C72-C110 HydrophobicContact CB-CB 3.94Å; C72-C110 WeakPolarHBondContact CB-SG 3.41Å; C72-C110 VanDerWaalsContact SG-CA 3.52Å; C72-C110 WeakPolarHBondContact SG-CB 3.26Å; C72-C110 CovalentContact SG-SG 2.04Å; C72-C110 PolarHBondContact SG-SG 3.04Å; C72-P113 HydrophobicContact CB-CG 4.15Å
73S93.1Very high90.1Very high15 Ų1548.7 Ų48.711%0.10526%0.255CS..  trans-143142170.6175.90000111K71 N75 L76K71-S73 PolarHBondContact O-N 2.98Å; S73-N75 PolarHBondContact O-N 2.87Å; S73-N75 PolarHBondContact OG-N 3.21Å; S73-N75 VanDerWaalsContact OG-N 3.15Å; S73-L76 WeakPolarHBondContact O-CB 3.35Å; S73-L76 PolarHBondContact O-N 2.73Å
74V91.9Very high90.6Very high132 Ų13242.8 Ų42.880%0.822%0.223SC*.THydrogen-bonded Turntrans-60.7-28171.8-62.20000112.3
75N93.2Very high90.9Very high20 Ų2041.3 Ų41.311%0.10722%0.217CC..THydrogen-bonded Turntrans-93.4-2.3-178.5-71.2-22.8000113.2S73 F78 F79 V102 E105 V106 P142S73-N75 PolarHBondContact O-N 2.87Å; S73-N75 PolarHBondContact OG-N 3.21Å; S73-N75 VanDerWaalsContact OG-N 3.15Å; N75-F78 PolarHBondContact O-N 3.16Å; N75-F79 VanDerWaalsContact O-CB 3.31Å; N75-F79 WeakPolarHBondContact O-CB 3.44Å; N75-F79 PolarHBondContact O-N 3.08Å; N75-V102 HydrophobicContact CB-CG1 4.04Å; N75-E105 PolarHBondContact ND2-OE2 3.34Å; N75-V106 HydrophobicContact CB-CG2 3.91Å; N75-P142 HydrophobicContact CB-CG 4.44Å; N75-P142 WeakPolarHBondContact OD1-CG 3.35Å
76L93.4Very high91.3Very high3 Ų337.7 Ų37.72%0.01620%0.2CC..Hα-helixtrans-58.1-53.2-176.9173.266.5000112.5L67 I68 S73 F78 F79 L80 V106L67-L76 HydrophobicContact CD2-CD1 4.36Å; L67-L76 HydrophobicContact CG-CD2 3.99Å; L67-L76 WeakPolarHBondContact O-CD2 3.32Å; I68-L76 HydrophobicContact CG1-CD2 4.4Å; S73-L76 WeakPolarHBondContact O-CB 3.35Å; S73-L76 PolarHBondContact O-N 2.73Å; L76-F78 VanDerWaalsContact C-N 3.33Å; L76-F78 PolarHBondContact O-N 3.23Å; L76-F79 PolarHBondContact O-N 2.91Å; L76-L80 HydrophobicContact CD1-CD1 3.72Å; L76-L80 HydrophobicContact CD1-CG 3.96Å; L76-L80 HydrophobicContact CG-CD1 3.92Å; L76-L80 HydrophobicContact CG-CG 4.47Å; L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 3.05Å; L76-V106 HydrophobicContact CB-CG1 4.13Å; L76-V106 HydrophobicContact CD1-CG1 3.53Å; L76-V106 HydrophobicContact CG-CG1 4.45Å
77K93Very high91.7Very high65 Ų6536.3 Ų36.328%0.28319%0.187SC..Hα-helixtrans-60.9-43.9-178.5-179178.4177.11750111.3V34 D37 C81V34-K77 WeakPolarHBondContact O-CE 3.41Å; V34-K77 PolarHBondContact O-NZ 3.12Å; D37-K77 WeakPolarHBondContact OD1-CE 3.38Å; D37-K77 IonicContact OD1-NZ 3.11Å; D37-K77 PolarHBondContact OD1-NZ 2.68Å; D37-K77 IonicContact OD2-NZ 3.11Å; D37-K77 PolarHBondContact OD2-NZ 2.7Å; K77-C81 WeakPolarHBondContact O-CB 3.4Å; K77-C81 PolarHBondContact O-N 3.22Å; K77-C81 PolarHBondContact O-SG 3.21Å
78F93.8Very high91.9Very high25 Ų2536.1 Ų36.111%0.1119%0.187CC..Hα-helixtrans-60.2-48.8177.2179.5-88.7000111.4M38 P39 N75 L76 S82 S98 M140 P142M38-F78 HydrophobicContact CE-CB 4.48Å; M38-F78 HydrophobicContact CE-CD2 3.51Å; M38-F78 HydrophobicContact CE-CE2 3.86Å; M38-F78 HydrophobicContact CE-CG 4.13Å; M38-F78 HydrophobicContact SD-CD2 4.43Å; P39-F78 HydrophobicContact CG-CD2 4.34Å; P39-F78 HydrophobicContact CG-CE2 4.12Å; N75-F78 PolarHBondContact O-N 3.16Å; L76-F78 VanDerWaalsContact C-N 3.33Å; L76-F78 PolarHBondContact O-N 3.23Å; F78-S82 WeakPolarHBondContact O-CB 3.44Å; F78-S82 PolarHBondContact O-N 2.98Å; F78-S82 PolarHBondContact O-OG 3.48Å; F78-S98 WeakPolarHBondContact CE1-OG 3.28Å; F78-M140 HydrophobicContact CE1-CB 4.11Å; F78-M140 HydrophobicContact CZ-CB 3.78Å; F78-M140 HydrophobicContact CZ-CE 4.42Å; F78-M140 HydrophobicContact CZ-SD 4.13Å; F78-P142 HydrophobicContact CD1-CB 4.15Å; F78-P142 HydrophobicContact CD1-CG 3.74Å; F78-P142 HydrophobicContact CD2-CB 4.28Å; F78-P142 HydrophobicContact CE1-CB 4.28Å; F78-P142 HydrophobicContact CE1-CG 4.06Å; F78-P142 HydrophobicContact CE2-CB 4.41Å; F78-P142 HydrophobicContact CG-CB 4.16Å; F78-P142 HydrophobicContact CG-CG 4.1Å; F78-P142 HydrophobicContact CZ-CB 4.42Å
79F94.7Very high91.8Very high0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-58-55.2178.1174-115.3000111N75 L76 C81 S82 V83 V102 C103 V106 W121 L125 F130N75-F79 VanDerWaalsContact O-CB 3.31Å; N75-F79 WeakPolarHBondContact O-CB 3.44Å; N75-F79 PolarHBondContact O-N 3.08Å; L76-F79 PolarHBondContact O-N 2.91Å; F79-C81 PolarHBondContact O-N 3.37Å; F79-S82 WeakPolarHBondContact O-CA 3.12Å; F79-S82 WeakPolarHBondContact O-CB 3.38Å; F79-S82 PolarHBondContact O-N 3.11Å; F79-S82 PolarHBondContact O-OG 3.19Å; F79-V83 HydrophobicContact CD2-CG2 4.41Å; F79-V83 HydrophobicContact CE2-CG2 3.99Å; F79-V83 HydrophobicContact CZ-CG2 4.08Å; F79-V83 WeakPolarHBondContact O-CG2 3.42Å; F79-V83 PolarHBondContact O-N 3.02Å; F79-V83 VanDerWaalsContact O-N 3.14Å; F79-V102 HydrophobicContact CB-CG1 4.36Å; F79-C103 HydrophobicContact CD2-CB 4.26Å; F79-C103 HydrophobicContact CE2-CB 3.55Å; F79-C103 HydrophobicContact CZ-CB 3.84Å; F79-C103 WeakPolarHBondContact CZ-SG 3.1Å; F79-V106 HydrophobicContact CB-CG2 3.99Å; F79-V106 HydrophobicContact CD1-CB 4.3Å; F79-V106 HydrophobicContact CD1-CG1 4.08Å; F79-V106 HydrophobicContact CD1-CG2 4.48Å; F79-V106 HydrophobicContact CG-CG2 4.36Å; F79-W121 HydrophobicContact CE1-CZ2 4.12Å; F79-L125 HydrophobicContact CE1-CB 4.1Å; F79-L125 HydrophobicContact CE1-CD1 4.26Å; F79-L125 HydrophobicContact CE1-CD2 3.85Å; F79-L125 HydrophobicContact CE1-CG 4.28Å; F79-L125 HydrophobicContact CZ-CB 4.32Å; F79-L125 HydrophobicContact CZ-CD2 4.18Å; F79-F130 HydrophobicContact CE2-CD1 4.27Å; F79-F130 HydrophobicContact CE2-CD2 4.43Å; F79-F130 AromaticContact CE2-CE1 3.83Å; F79-F130 HydrophobicContact CE2-CE1 3.83Å; F79-F130 AromaticContact CE2-CE2 3.99Å; F79-F130 HydrophobicContact CE2-CE2 3.99Å; F79-F130 AromaticContact CE2-CZ 3.67Å; F79-F130 HydrophobicContact CE2-CZ 3.67Å; F79-F130 HydrophobicContact CZ-CE1 4.37Å; F79-F130 AromaticContact CZ-CE2 3.87Å; F79-F130 HydrophobicContact CZ-CE2 3.87Å; F79-F130 AromaticContact CZ-CZ 3.74Å; F79-F130 HydrophobicContact CZ-CZ 3.74Å
80L93.7Very high91.5Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-54.7-52.2178.8-75.7176.5000112.2M61 F64 I68 L76 S82 V83 F84 L125M61-L80 HydrophobicContact CE-CB 3.77Å; M61-L80 WeakPolarHBondContact CE-O 3.08Å; F64-L80 HydrophobicContact CB-CD1 4.01Å; F64-L80 HydrophobicContact CD1-CD1 4.44Å; F64-L80 HydrophobicContact CD1-CD2 3.8Å; F64-L80 HydrophobicContact CE1-CD2 4.26Å; F64-L80 HydrophobicContact CG-CD2 4.21Å; I68-L80 HydrophobicContact CD1-CD1 3.88Å; I68-L80 HydrophobicContact CG1-CD1 3.66Å; L76-L80 HydrophobicContact CD1-CD1 3.72Å; L76-L80 HydrophobicContact CD1-CG 3.96Å; L76-L80 HydrophobicContact CG-CD1 3.92Å; L76-L80 HydrophobicContact CG-CG 4.47Å; L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 3.05Å; L80-S82 PolarHBondContact O-N 3.33Å; L80-V83 PolarHBondContact O-N 3.3Å; L80-F84 HydrophobicContact CD2-CE2 4.35Å; L80-F84 WeakPolarHBondContact O-CD2 3.33Å; L80-F84 PolarHBondContact O-N 3.06Å; L80-F84 VanDerWaalsContact O-N 3.12Å; L80-L125 HydrophobicContact CD2-CD1 3.88Å; L80-L125 HydrophobicContact CD2-CD2 4.17Å
81C94.5Very high91Very high0 Ų037.7 Ų37.70%021%0.206CC..Hα-helixtrans-62.4-30.1177.7-69.70000112.8C35 M38 Y40 K77 F79 V83 T85C35-C81 WeakPolarHBondContact CA-SG 3.42Å; C35-C81 HydrophobicContact CB-CB 3.76Å; C35-C81 WeakPolarHBondContact CB-SG 3.36Å; C35-C81 VanDerWaalsContact SG-CA 3.52Å; C35-C81 WeakPolarHBondContact SG-CB 3.4Å; C35-C81 CovalentContact SG-SG 2.04Å; C35-C81 PolarHBondContact SG-SG 3.46Å; M38-C81 HydrophobicContact CE-CB 3.62Å; M38-C81 HydrophobicContact CG-CB 3.72Å; M38-C81 HydrophobicContact SD-CB 3.47Å; M38-C81 WeakPolarHBondContact SD-CB 3.39Å; Y40-C81 PolarHBondContact OH-O 2.98Å; K77-C81 WeakPolarHBondContact O-CB 3.4Å; K77-C81 PolarHBondContact O-N 3.22Å; K77-C81 PolarHBondContact O-SG 3.21Å; F79-C81 PolarHBondContact O-N 3.37Å; C81-V83 VanDerWaalsContact C-N 3.32Å; C81-V83 PolarHBondContact O-N 3.41Å; C81-T85 CarbonylContact O-C 3.6Å; C81-T85 VanDerWaalsContact O-CA 3.26Å; C81-T85 WeakPolarHBondContact O-CA 3.24Å; C81-T85 PolarHBondContact O-N 3.44Å; C81-T85 PolarHBondContact O-OG1 3.25Å
82S93.1Very high90.3Very high0 Ų033 Ų330%019%0.187CC..Hα-helixtrans-75.2-13.3174.3790000115.2Y40 F78 F79 L80 P86 T97 S98Y40-S82 VanDerWaalsContact OH-CA 3.32Å; Y40-S82 WeakPolarHBondContact OH-CA 3.25Å; Y40-S82 PolarHBondContact OH-N 3.48Å; F78-S82 WeakPolarHBondContact O-CB 3.44Å; F78-S82 PolarHBondContact O-N 2.98Å; F78-S82 PolarHBondContact O-OG 3.48Å; F79-S82 WeakPolarHBondContact O-CA 3.12Å; F79-S82 WeakPolarHBondContact O-CB 3.38Å; F79-S82 PolarHBondContact O-N 3.11Å; F79-S82 PolarHBondContact O-OG 3.19Å; L80-S82 PolarHBondContact O-N 3.33Å; S82-P86 WeakPolarHBondContact O-CB 3.43Å; S82-T97 WeakPolarHBondContact O-CB 3.28Å; S82-T97 PolarHBondContact O-OG1 2.95Å; S82-S98 VanDerWaalsContact OG-CB 3.3Å; S82-S98 WeakPolarHBondContact OG-CB 3.45Å; S82-S98 PolarHBondContact OG-N 3.31Å; S82-S98 PolarHBondContact OG-OG 2.93Å
83V92.5Very high89.4Confident0 Ų038.4 Ų38.40%021%0.214CC..Hα-helixtrans-88.5-48.8172.8178.70000110.2L48 I49 F79 L80 C81 L125 F130L48-V83 HydrophobicContact CB-CG1 4.37Å; L48-V83 HydrophobicContact CD1-CG1 4.44Å; I49-V83 HydrophobicContact CD1-CG1 3.87Å; I49-V83 HydrophobicContact CG1-CG1 4.2Å; F79-V83 HydrophobicContact CD2-CG2 4.41Å; F79-V83 HydrophobicContact CE2-CG2 3.99Å; F79-V83 HydrophobicContact CZ-CG2 4.08Å; F79-V83 WeakPolarHBondContact O-CG2 3.42Å; F79-V83 PolarHBondContact O-N 3.02Å; F79-V83 VanDerWaalsContact O-N 3.14Å; L80-V83 PolarHBondContact O-N 3.3Å; C81-V83 VanDerWaalsContact C-N 3.32Å; C81-V83 PolarHBondContact O-N 3.41Å; V83-L125 HydrophobicContact CG1-CD2 4.35Å; V83-L125 HydrophobicContact CG2-CD2 4.17Å; V83-F130 HydrophobicContact CG2-CE1 3.71Å; V83-F130 HydrophobicContact CG2-CZ 3.61Å
84F92.1Very high88.6Confident4 Ų444 Ų442%0.01824%0.238CC..Hα-helixtrans-87.4-33.2-171.3-77.6-97.4000113.8N47 I49 V57 M61 F64 L80 P86N47-F84 WeakPolarHBondContact CB-O 3.41Å; N47-F84 WeakPolarHBondContact ND2-CA 3.49Å; N47-F84 PolarHBondContact ND2-O 2.96Å; I49-F84 HydrophobicContact CD1-CD1 3.78Å; I49-F84 HydrophobicContact CD1-CD2 3.97Å; I49-F84 HydrophobicContact CD1-CE1 3.33Å; I49-F84 HydrophobicContact CD1-CE2 3.58Å; I49-F84 HydrophobicContact CD1-CG 4.08Å; I49-F84 HydrophobicContact CD1-CZ 3.23Å; V57-F84 HydrophobicContact CG1-CB 3.84Å; V57-F84 HydrophobicContact CG1-CD1 4.32Å; M61-F84 HydrophobicContact CE-CB 3.57Å; M61-F84 HydrophobicContact CE-CD1 4.26Å; M61-F84 HydrophobicContact CE-CD2 3.24Å; M61-F84 HydrophobicContact CE-CE2 3.9Å; M61-F84 HydrophobicContact CE-CG 3.44Å; M61-F84 VanDerWaalsContact CE-CG 3.44Å; M61-F84 HydrophobicContact CG-CG 4.47Å; F64-F84 HydrophobicContact CD2-CE2 4.34Å; F64-F84 AromaticContact CD2-CZ 3.94Å; F64-F84 HydrophobicContact CD2-CZ 3.94Å; F64-F84 HydrophobicContact CE2-CE1 4.38Å; F64-F84 HydrophobicContact CE2-CE2 4.09Å; F64-F84 AromaticContact CE2-CZ 3.46Å; F64-F84 HydrophobicContact CE2-CZ 3.46Å; F64-F84 VanDerWaalsContact CE2-CZ 3.46Å; F64-F84 HydrophobicContact CZ-CE2 4.42Å; F64-F84 HydrophobicContact CZ-CZ 4.03Å; L80-F84 HydrophobicContact CD2-CE2 4.35Å; L80-F84 WeakPolarHBondContact O-CD2 3.33Å; L80-F84 PolarHBondContact O-N 3.06Å; L80-F84 VanDerWaalsContact O-N 3.12Å; F84-P86 VanDerWaalsContact C-CD 3.48Å
85T93.5Very high88.2Confident0 Ų039.8 Ų39.80%021%0.214CC..SBendtrans-126.666.6173.352.10000109.2I30 V32 Y40 T43 V57 C81I30-T85 HydrophobicContact CG2-CG2 4.33Å; V32-T85 HydrophobicContact CB-CG2 4.29Å; V32-T85 HydrophobicContact CG2-CG2 3.83Å; Y40-T85 WeakPolarHBondContact CE2-O 3.3Å; Y40-T85 PolarHBondContact OH-O 2.86Å; T43-T85 WeakPolarHBondContact OG1-CA 3.36Å; V57-T85 HydrophobicContact CG1-CG2 3.91Å; C81-T85 CarbonylContact O-C 3.6Å; C81-T85 VanDerWaalsContact O-CA 3.26Å; C81-T85 WeakPolarHBondContact O-CA 3.24Å; C81-T85 PolarHBondContact O-N 3.44Å; C81-T85 PolarHBondContact O-OG1 3.25Å
86P92.8Very high88Confident1 Ų139.8 Ų39.81%0.00621%0.214CC..PPolyproline II helixtrans-64.4152-175.830.5-37.5000111.5T43 N47 S82 F84 C88 P95 I96T43-P86 VanDerWaalsContact CA-O 3.3Å; T43-P86 WeakPolarHBondContact CA-O 3.3Å; T43-P86 WeakPolarHBondContact CB-O 3.41Å; T43-P86 PolarHBondContact OG1-O 3.01Å; T43-P86 VanDerWaalsContact OG1-O 3.08Å; N47-P86 HydrophobicContact CB-CG 4.37Å; S82-P86 WeakPolarHBondContact O-CB 3.43Å; F84-P86 VanDerWaalsContact C-CD 3.48Å; P86-C88 PolarHBondContact O-N 2.73Å; P86-P95 HydrophobicContact CB-CB 3.9Å; P86-P95 HydrophobicContact CB-CG 4.36Å; P86-P95 HydrophobicContact CG-CB 3.73Å; P86-P95 HydrophobicContact CG-CG 3.94Å; P86-I96 WeakPolarHBondContact CB-O 3.31Å
87M91.4Very high87.9Confident56 Ų5640.2 Ų40.228%0.27622%0.217SC..BIsolated β-bridgetrans-69.7125.1-173.7175.3176.1176.500111.5Y40 T89 I96 M140Y40-M87 HydrophobicContact CD1-CB 4.06Å; Y40-M87 HydrophobicContact CD1-CG 4.4Å; Y40-M87 HydrophobicContact CD1-SD 4.29Å; Y40-M87 HydrophobicContact CD2-CB 3.72Å; Y40-M87 HydrophobicContact CD2-CG 4.05Å; Y40-M87 HydrophobicContact CE1-CB 4.28Å; Y40-M87 HydrophobicContact CE2-CB 3.96Å; Y40-M87 HydrophobicContact CG-CB 3.79Å; Y40-M87 HydrophobicContact CG-CG 3.86Å; Y40-M87 HydrophobicContact CG-SD 4.1Å; M87-T89 HydrophobicContact CE-CG2 3.74Å; M87-T89 HydrophobicContact CG-CG2 4.48Å; M87-I96 HydrophobicContact CB-CB 4.26Å; M87-I96 PolarHBondContact N-O 3.07Å; M87-I96 PolarHBondContact O-N 2.97Å; M87-M140 HydrophobicContact CB-CE 3.88Å; M87-M140 HydrophobicContact CB-SD 3.97Å; M87-M140 HydrophobicContact SD-SD 3.8Å
88C90.1Very high87.9Confident8 Ų837.1 Ų37.15%0.05420%0.203CC..PPolyproline II helixtrans-99.8140.3174.2-172.40000111.7C27 F42 T43 R44 P86C27-C88 WeakPolarHBondContact CA-SG 2.97Å; C27-C88 HydrophobicContact CB-CB 3.74Å; C27-C88 WeakPolarHBondContact CB-SG 3.22Å; C27-C88 VanDerWaalsContact SG-C 3.52Å; C27-C88 WeakPolarHBondContact SG-CB 3.38Å; C27-C88 CovalentContact SG-SG 2.04Å; C27-C88 PolarHBondContact SG-SG 3.01Å; F42-C88 PolarHBondContact O-N 3.37Å; T43-C88 VanDerWaalsContact C-CB 3.45Å; R44-C88 HydrophobicContact CB-CB 3.9Å; R44-C88 VanDerWaalsContact CB-SG 3.56Å; P86-C88 PolarHBondContact O-N 2.73Å
89T85.9Confident87.9Confident37 Ų3736 Ų3623%0.22720%0.199CC..  trans-138.6145.3168.574.70000109.7M87 A91 M92 I96M87-T89 HydrophobicContact CE-CG2 3.74Å; M87-T89 HydrophobicContact CG-CG2 4.48Å; T89-A91 PolarHBondContact O-N 3.49Å; T89-M92 PolarHBondContact O-N 2.85Å; T89-M92 VanDerWaalsContact O-O 3.05Å; T89-I96 HydrophobicContact CG2-CD1 4.49Å
90E80.4Confident87.9Confident140 Ų14040 Ų4065%0.65421%0.214SC*.THydrogen-bonded Turntrans-66.5-5.1175.7-57.8-61.1157.200113.5
91A76.7Confident87.9Confident91 Ų9142 Ų4275%0.75223%0.228SC*.THydrogen-bonded Turntrans-91.9-4.717700000113.7T89T89-A91 PolarHBondContact O-N 3.49Å
92M74Confident87.9Confident69 Ų6942 Ų4234%0.3423%0.228SC..  trans-139.9140.4178.5-60.8-174.1-158.500111.8R44 T89 I96 P138R44-M92 PolarHBondContact NH1-O 3.47Å; T89-M92 PolarHBondContact O-N 2.85Å; T89-M92 VanDerWaalsContact O-O 3.05Å; M92-I96 HydrophobicContact CE-CD1 3.96Å; M92-I96 HydrophobicContact SD-CD1 3.71Å; M92-I96 HydrophobicContact SD-CG1 3.94Å; M92-P138 HydrophobicContact CE-CG 3.48Å; M92-P138 VanDerWaalsContact CE-CG 3.48Å; M92-P138 HydrophobicContact SD-CG 3.74Å
93D73.7Confident88Confident141 Ų14142 Ų4275%0.75423%0.228SC*.SBendtrans-75.8-32.5176.3-65.4-44.6000112R44R44-D93 VanDerWaalsContact NH1-C 3.32Å; R44-D93 PolarHBondContact NH1-O 3.45Å
94E75.8Confident88.1Confident131 Ų13145.3 Ų45.361%0.61224%0.243SC*.SBendtrans-95.8141.2178.1-64.6-174.6167.900111.9
95P83.9Confident88.2Confident45 Ų4548.6 Ų48.629%0.29226%0.258SS..PPolyproline II helixtrans-78.7141.7179.134.9-36.3000111.6P86P86-P95 HydrophobicContact CB-CB 3.9Å; P86-P95 HydrophobicContact CB-CG 4.36Å; P86-P95 HydrophobicContact CG-CB 3.73Å; P86-P95 HydrophobicContact CG-CG 3.94Å
96I89.3Confident88.3Confident20 Ų2048.6 Ų48.610%0.10326%0.258CS..BIsolated β-bridgetrans-87.2131.3-172.5-55.2171.8000110.1P86 M87 T89 M92 M140P86-I96 WeakPolarHBondContact CB-O 3.31Å; M87-I96 HydrophobicContact CB-CB 4.26Å; M87-I96 PolarHBondContact N-O 3.07Å; M87-I96 PolarHBondContact O-N 2.97Å; T89-I96 HydrophobicContact CG2-CD1 4.49Å; M92-I96 HydrophobicContact CE-CD1 3.96Å; M92-I96 HydrophobicContact SD-CD1 3.71Å; M92-I96 HydrophobicContact SD-CG1 3.94Å; I96-M140 HydrophobicContact CG2-CE 4.37Å; I96-M140 HydrophobicContact CG2-CG 3.92Å; I96-M140 VanDerWaalsContact O-CE 3.31Å; I96-M140 WeakPolarHBondContact O-CE 3.47Å
97T91.3Very high88.4Confident11 Ų1151.5 Ų51.57%0.06727%0.272CS..  trans-117.3-179.6178.8-166.60000112.2L48 S82 F130 P131 C139 M140L48-T97 HydrophobicContact CD1-CG2 4.06Å; S82-T97 WeakPolarHBondContact O-CB 3.28Å; S82-T97 PolarHBondContact O-OG1 2.95Å; T97-F130 HydrophobicContact CG2-CD1 3.86Å; T97-F130 HydrophobicContact CG2-CE1 4.22Å; T97-P131 HydrophobicContact CG2-CG 4.23Å; T97-C139 WeakPolarHBondContact O-CA 3.09Å; T97-M140 PolarHBondContact O-N 3.27Å
98S92.9Very high88.5Confident0 Ų056.4 Ų56.40%029%0.287CS..BIsolated β-bridgetrans-66149.5175.6-77.10000113.1F78 S82 F130 M140F78-S98 WeakPolarHBondContact CE1-OG 3.28Å; S82-S98 VanDerWaalsContact OG-CB 3.3Å; S82-S98 WeakPolarHBondContact OG-CB 3.45Å; S82-S98 PolarHBondContact OG-N 3.31Å; S82-S98 PolarHBondContact OG-OG 2.93Å; S98-F130 WeakPolarHBondContact O-CD1 3.34Å; S98-M140 CarbonylContact C-O 3.48Å; S98-M140 WeakPolarHBondContact CA-O 3.47Å
99C94.4Very high88.7Confident2 Ų258.3 Ų58.31%0.01430%0.301CS..  trans-68.1152.2170.4-61.10000112.1S101 V102 C103 Q133 C139 M140C99-S101 VanDerWaalsContact CB-OG 3.32Å; C99-S101 WeakPolarHBondContact CB-OG 3.33Å; C99-S101 PolarHBondContact O-N 3.33Å; C99-S101 VanDerWaalsContact O-N 3.13Å; C99-V102 HydrophobicContact CB-CG2 4.36Å; C99-V102 WeakPolarHBondContact O-CB 3.37Å; C99-V102 PolarHBondContact O-N 2.87Å; C99-C103 PolarHBondContact O-N 2.91Å; C99-Q133 HydrophobicContact CB-CG 4.06Å; C99-C139 WeakPolarHBondContact CA-SG 3.36Å; C99-C139 HydrophobicContact CB-CB 3.94Å; C99-C139 WeakPolarHBondContact CB-SG 3.44Å; C99-C139 WeakPolarHBondContact SG-CB 3.29Å; C99-C139 PolarHBondContact SG-O 3.37Å; C99-C139 VanDerWaalsContact SG-O 3.4Å; C99-C139 CovalentContact SG-SG 2.04Å; C99-C139 PolarHBondContact SG-SG 3.41Å; C99-M140 PolarHBondContact N-O 3.43Å; C99-M140 PolarHBondContact SG-O 2.99Å
100R93.3Very high89.1Confident85 Ų8556.6 Ų56.632%0.32129%0.29SS..Hα-helixtrans-53.3-31.2173.7-177.4173.7-55.9-177.60.8113.6Q104 C127 S128 F130 P131R100-Q104 HydrophobicContact CG-CG 4.37Å; R100-Q104 WeakPolarHBondContact O-CB 3.39Å; R100-Q104 VanDerWaalsContact O-CG 3.29Å; R100-Q104 WeakPolarHBondContact O-CG 3.38Å; R100-Q104 PolarHBondContact O-N 3.23Å; R100-C127 WeakPolarHBondContact CG-O 3.36Å; R100-C127 PolarHBondContact NE-O 3.48Å; R100-S128 PolarHBondContact NH2-O 3.39Å; R100-F130 HydrophobicContact CB-CB 4.25Å; R100-F130 VanDerWaalsContact CZ-O 3.28Å; R100-F130 PolarHBondContact NE-O 3.3Å; R100-F130 PolarHBondContact NH2-O 3.03Å; R100-P131 VanDerWaalsContact CB-O 3.26Å; R100-P131 WeakPolarHBondContact CB-O 3.43Å; R100-P131 PolarHBondContact N-O 3.45Å
101S94.1Very high89.6Confident42 Ų4251.1 Ų51.129%0.29427%0.269SS..Hα-helixtrans-55.4-51172.742.60000111.9C99 Q104 E105 Q133 D141C99-S101 VanDerWaalsContact CB-OG 3.32Å; C99-S101 WeakPolarHBondContact CB-OG 3.33Å; C99-S101 PolarHBondContact O-N 3.33Å; C99-S101 VanDerWaalsContact O-N 3.13Å; S101-Q104 PolarHBondContact O-N 3.18Å; S101-E105 PolarHBondContact O-N 2.97Å; S101-Q133 PolarHBondContact OG-NE2 2.9Å; S101-D141 PolarHBondContact OG-OD2 3.44Å
102V94.4Very high90.3Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-63.9-47.6-179.6-170.10000110.4N75 F79 C99 Q104 E105 V106 D141 P142N75-V102 HydrophobicContact CB-CG1 4.04Å; F79-V102 HydrophobicContact CB-CG1 4.36Å; C99-V102 HydrophobicContact CB-CG2 4.36Å; C99-V102 WeakPolarHBondContact O-CB 3.37Å; C99-V102 PolarHBondContact O-N 2.87Å; V102-Q104 VanDerWaalsContact C-N 3.34Å; V102-Q104 PolarHBondContact O-N 3.06Å; V102-E105 WeakPolarHBondContact O-CB 3.29Å; V102-E105 PolarHBondContact O-N 3.1Å; V102-E105 VanDerWaalsContact O-N 3.16Å; V102-V106 WeakPolarHBondContact O-CG2 3.23Å; V102-V106 PolarHBondContact O-N 2.99Å; V102-D141 HydrophobicContact CG2-CB 4.08Å; V102-P142 HydrophobicContact CG1-CG 4.43Å
103C95.2Very high90.9Very high0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-55.1-50.6176.7-1780000111.3F79 C99 E105 V106 E107 L125 C127 F130F79-C103 HydrophobicContact CD2-CB 4.26Å; F79-C103 HydrophobicContact CE2-CB 3.55Å; F79-C103 HydrophobicContact CZ-CB 3.84Å; F79-C103 WeakPolarHBondContact CZ-SG 3.1Å; C99-C103 PolarHBondContact O-N 2.91Å; C103-E105 VanDerWaalsContact C-N 3.28Å; C103-E105 PolarHBondContact O-N 3.38Å; C103-V106 PolarHBondContact O-N 3.48Å; C103-E107 WeakPolarHBondContact O-CB 3.42Å; C103-E107 PolarHBondContact O-N 3.3Å; C103-L125 PolarHBondContact SG-O 3.23Å; C103-C127 HydrophobicContact CB-CB 3.77Å; C103-C127 WeakPolarHBondContact CB-SG 3.38Å; C103-C127 PolarHBondContact O-SG 3.01Å; C103-C127 VanDerWaalsContact O-SG 3.39Å; C103-C127 WeakPolarHBondContact SG-CA 3.45Å; C103-C127 WeakPolarHBondContact SG-CB 3.3Å; C103-C127 CovalentContact SG-SG 2.05Å; C103-C127 PolarHBondContact SG-SG 2.87Å; C103-F130 HydrophobicContact CB-CD2 4.13Å; C103-F130 HydrophobicContact CB-CG 4.41Å
104Q95.3Very high91.4Very high69 Ų6942.6 Ų42.632%0.32222%0.218SC..Hα-helixtrans-67-26.8-178.6-69.9-179.6-4.600113.2R100 S101 V102 R108 C127R100-Q104 HydrophobicContact CG-CG 4.37Å; R100-Q104 WeakPolarHBondContact O-CB 3.39Å; R100-Q104 VanDerWaalsContact O-CG 3.29Å; R100-Q104 WeakPolarHBondContact O-CG 3.38Å; R100-Q104 PolarHBondContact O-N 3.23Å; S101-Q104 PolarHBondContact O-N 3.18Å; V102-Q104 VanDerWaalsContact C-N 3.34Å; V102-Q104 PolarHBondContact O-N 3.06Å; Q104-R108 VanDerWaalsContact C-NH1 3.27Å; Q104-R108 WeakPolarHBondContact O-CB 3.43Å; Q104-R108 WeakPolarHBondContact O-CD 3.2Å; Q104-R108 WeakPolarHBondContact O-CG 3.42Å; Q104-R108 PolarHBondContact O-N 3.49Å; Q104-R108 PolarHBondContact O-NH1 3.48Å; Q104-R108 VanDerWaalsContact OE1-NH2 3.07Å; Q104-C127 HydrophobicContact CG-CB 3.78Å; Q104-C127 PolarHBondContact N-SG 2.95Å; Q104-C127 VanDerWaalsContact N-SG 3.38Å
105E94.2Very high91.9Very high72 Ų7239.2 Ų39.234%0.33621%0.212SC..Hα-helixtrans-70.6-45172.4-177.2-174.8-158.900111.5N75 S101 V102 C103 S109N75-E105 PolarHBondContact ND2-OE2 3.34Å; S101-E105 PolarHBondContact O-N 2.97Å; V102-E105 WeakPolarHBondContact O-CB 3.29Å; V102-E105 PolarHBondContact O-N 3.1Å; V102-E105 VanDerWaalsContact O-N 3.16Å; C103-E105 VanDerWaalsContact C-N 3.28Å; C103-E105 PolarHBondContact O-N 3.38Å; E105-S109 PolarHBondContact O-N 3.13Å; E105-S109 PolarHBondContact O-OG 3.1Å
106V94.8Very high91.9Very high0 Ų043.9 Ų43.90%024%0.235CC..Hα-helixtrans-65.4-47.21771790000110.4N75 L76 F79 V102 C103 R108 S109 C110 W121N75-V106 HydrophobicContact CB-CG2 3.91Å; L76-V106 HydrophobicContact CB-CG1 4.13Å; L76-V106 HydrophobicContact CD1-CG1 3.53Å; L76-V106 HydrophobicContact CG-CG1 4.45Å; F79-V106 HydrophobicContact CB-CG2 3.99Å; F79-V106 HydrophobicContact CD1-CB 4.3Å; F79-V106 HydrophobicContact CD1-CG1 4.08Å; F79-V106 HydrophobicContact CD1-CG2 4.48Å; F79-V106 HydrophobicContact CG-CG2 4.36Å; V102-V106 WeakPolarHBondContact O-CG2 3.23Å; V102-V106 PolarHBondContact O-N 2.99Å; C103-V106 PolarHBondContact O-N 3.48Å; V106-R108 PolarHBondContact O-N 3.38Å; V106-S109 PolarHBondContact O-N 2.91Å; V106-S109 VanDerWaalsContact O-N 3.13Å; V106-C110 HydrophobicContact CG1-CB 4.41Å; V106-C110 VanDerWaalsContact O-CB 3.22Å; V106-C110 WeakPolarHBondContact O-CB 3.4Å; V106-C110 PolarHBondContact O-N 3.28Å; V106-W121 HydrophobicContact CG1-CH2 3.9Å
107E94.4Very high91.6Very high62 Ų6250.1 Ų50.129%0.2926%0.261SS..Hα-helixtrans-55.1-51.1176-179.6-178.9-149.400111.4C103 S109 C110 A111 W121 C127C103-E107 WeakPolarHBondContact O-CB 3.42Å; C103-E107 PolarHBondContact O-N 3.3Å; E107-S109 PolarHBondContact O-N 2.91Å; E107-S109 VanDerWaalsContact O-N 3.16Å; E107-C110 PolarHBondContact O-N 3.47Å; E107-A111 HydrophobicContact CG-CB 4.44Å; E107-A111 WeakPolarHBondContact O-CB 3.23Å; E107-A111 PolarHBondContact O-N 3.45Å; E107-W121 HydrophobicContact CB-CD2 4.28Å; E107-W121 HydrophobicContact CB-CZ2 4.07Å; E107-W121 HydrophobicContact CG-CD2 3.98Å; E107-W121 HydrophobicContact CG-CG 4.01Å; E107-C127 PolarHBondContact OE2-SG 3.14Å; E107-C127 VanDerWaalsContact OE2-SG 3.35Å
108R94.9Very high91.1Very high160 Ų16052.9 Ų52.960%0.60429%0.292SS*.Hα-helixtrans-57-32.8178.3-77174.4-159.8110.71.3113.4Q104 V106 P112Q104-R108 VanDerWaalsContact C-NH1 3.27Å; Q104-R108 WeakPolarHBondContact O-CB 3.43Å; Q104-R108 WeakPolarHBondContact O-CD 3.2Å; Q104-R108 WeakPolarHBondContact O-CG 3.42Å; Q104-R108 PolarHBondContact O-N 3.49Å; Q104-R108 PolarHBondContact O-NH1 3.48Å; Q104-R108 VanDerWaalsContact OE1-NH2 3.07Å; V106-R108 PolarHBondContact O-N 3.38Å; R108-P112 WeakPolarHBondContact O-CD 3.4Å
109S93.6Very high90.5Very high48 Ų4857 Ų5734%0.33631%0.313SS..Hα-helixtrans-92.9-31.1-174.8-470000112.9C72 E105 V106 E107 P113C72-S109 WeakPolarHBondContact O-CB 3.41Å; E105-S109 PolarHBondContact O-N 3.13Å; E105-S109 PolarHBondContact O-OG 3.1Å; V106-S109 PolarHBondContact O-N 2.91Å; V106-S109 VanDerWaalsContact O-N 3.13Å; E107-S109 PolarHBondContact O-N 2.91Å; E107-S109 VanDerWaalsContact O-N 3.16Å; S109-P113 WeakPolarHBondContact O-CD 3.28Å
110C93.7Very high90.1Very high0 Ų064.6 Ų64.60%035%0.348CS..Hα-helixtrans-105.9-22.1-172.2-67.40000114.7C72 V106 E107 P113 L114 W121C72-C110 HydrophobicContact CB-CB 3.94Å; C72-C110 WeakPolarHBondContact CB-SG 3.41Å; C72-C110 VanDerWaalsContact SG-CA 3.52Å; C72-C110 WeakPolarHBondContact SG-CB 3.26Å; C72-C110 CovalentContact SG-SG 2.04Å; C72-C110 PolarHBondContact SG-SG 3.04Å; V106-C110 HydrophobicContact CG1-CB 4.41Å; V106-C110 VanDerWaalsContact O-CB 3.22Å; V106-C110 WeakPolarHBondContact O-CB 3.4Å; V106-C110 PolarHBondContact O-N 3.28Å; E107-C110 PolarHBondContact O-N 3.47Å; C110-P113 WeakPolarHBondContact O-CD 3.4Å; C110-L114 WeakPolarHBondContact O-CG 3.12Å; C110-L114 PolarHBondContact O-N 2.61Å; C110-W121 HydrophobicContact CB-CH2 4.34Å; C110-W121 HydrophobicContact CB-CZ3 3.77Å
111A91.4Very high89.9Confident26 Ų2662.4 Ų62.422%0.21534%0.34CS..Hα-helixtrans-64.6-39172.900000113.6E107 L114 A115 W121E107-A111 HydrophobicContact CG-CB 4.44Å; E107-A111 WeakPolarHBondContact O-CB 3.23Å; E107-A111 PolarHBondContact O-N 3.45Å; A111-L114 PolarHBondContact O-N 3.12Å; A111-A115 WeakPolarHBondContact O-CB 3.49Å; A111-A115 PolarHBondContact O-N 3.27Å; A111-W121 HydrophobicContact CB-CB 4.41Å; A111-W121 HydrophobicContact CB-CE3 4.08Å
112P91.1Very high89.5Confident71 Ų7162 Ų6246%0.46134%0.336SS..Hα-helixtrans-65-42.9178.8-17.930.1000114.1R108 L114 A115 N116R108-P112 WeakPolarHBondContact O-CD 3.4Å; P112-L114 PolarHBondContact O-N 3.12Å; P112-A115 PolarHBondContact O-N 3.32Å; P112-N116 PolarHBondContact O-N 3.21Å; P112-N116 PolarHBondContact O-ND2 3.47Å
113P86.4Confident89Confident33 Ų3366.4 Ų66.421%0.21437%0.368CS..Hα-helixtrans-57.5-43.9169.6-28.136.1000113.8I70 C72 S109 C110 A115 N116 F117I70-P113 HydrophobicContact CG2-CB 4.39Å; C72-P113 HydrophobicContact CB-CG 4.15Å; S109-P113 WeakPolarHBondContact O-CD 3.28Å; C110-P113 WeakPolarHBondContact O-CD 3.4Å; P113-A115 PolarHBondContact O-N 3.12Å; P113-N116 WeakPolarHBondContact O-CB 3.34Å; P113-N116 PolarHBondContact O-N 3.41Å; P113-F117 VanDerWaalsContact O-CD2 3.24Å; P113-F117 WeakPolarHBondContact O-CD2 3.15Å
114L86.1Confident88.3Confident17 Ų1768 Ų689%0.08938%0.377CS..Hα-helixtrans-62.8-41.4177.6-74.3170.4000112.3L67 C110 A111 P112 N116 F117 G118 I119 W121L67-L114 HydrophobicContact CD1-CD1 4.26Å; L67-L114 HydrophobicContact CD1-CD2 3.88Å; L67-L114 HydrophobicContact CD1-CG 3.93Å; L67-L114 HydrophobicContact CD2-CD1 3.98Å; L67-L114 HydrophobicContact CD2-CD2 4.35Å; L67-L114 HydrophobicContact CD2-CG 4.48Å; C110-L114 WeakPolarHBondContact O-CG 3.12Å; C110-L114 PolarHBondContact O-N 2.61Å; A111-L114 PolarHBondContact O-N 3.12Å; P112-L114 PolarHBondContact O-N 3.12Å; L114-N116 PolarHBondContact O-N 3.02Å; L114-F117 WeakPolarHBondContact O-CA 3.47Å; L114-F117 PolarHBondContact O-N 3.4Å; L114-G118 PolarHBondContact O-N 2.86Å; L114-I119 CarbonylContact C-O 3.48Å; L114-I119 HydrophobicContact CB-CB 4.24Å; L114-I119 HydrophobicContact CB-CG2 4.45Å; L114-I119 WeakPolarHBondContact CB-O 3.36Å; L114-I119 HydrophobicContact CD2-CB 4.2Å; L114-I119 HydrophobicContact CD2-CD1 4.36Å; L114-I119 HydrophobicContact CD2-CG2 4.02Å; L114-I119 PolarHBondContact O-N 2.96Å; L114-W121 HydrophobicContact CD1-CE3 3.84Å; L114-W121 HydrophobicContact CD1-CZ3 3.99Å
115A86.1Confident88Confident61 Ų6164.7 Ų64.750%0.50436%0.362SS..Hα-helixtrans-60.2-32.2178.800000112.7A111 P112 P113 F117 G118 I119A111-A115 WeakPolarHBondContact O-CB 3.49Å; A111-A115 PolarHBondContact O-N 3.27Å; P112-A115 PolarHBondContact O-N 3.32Å; P113-A115 PolarHBondContact O-N 3.12Å; A115-F117 PolarHBondContact O-N 3.25Å; A115-G118 PolarHBondContact O-N 2.59Å; A115-I119 PolarHBondContact N-O 3.46Å
116N83.7Confident87.8Confident142 Ų14263.4 Ų63.476%0.75936%0.357SS*.Hα-helixtrans-64.3-25.7174.5-66.1-29.9000113.1P112 P113 L114P112-N116 PolarHBondContact O-N 3.21Å; P112-N116 PolarHBondContact O-ND2 3.47Å; P113-N116 WeakPolarHBondContact O-CB 3.34Å; P113-N116 PolarHBondContact O-N 3.41Å; L114-N116 PolarHBondContact O-N 3.02Å
117F82.9Confident87.6Confident151 Ų15163.6 Ų63.666%0.66236%0.358SS*.THydrogen-bonded Turntrans-91.33173.2-63.1-75.7000113I70 P113 L114 A115 I119I70-F117 HydrophobicContact CD1-CE2 4.49Å; P113-F117 VanDerWaalsContact O-CD2 3.24Å; P113-F117 WeakPolarHBondContact O-CD2 3.15Å; L114-F117 WeakPolarHBondContact O-CA 3.47Å; L114-F117 PolarHBondContact O-N 3.4Å; A115-F117 PolarHBondContact O-N 3.25Å; F117-I119 VanDerWaalsContact C-N 3.29Å; F117-I119 HydrophobicContact CB-CD1 4.13Å; F117-I119 HydrophobicContact CB-CG1 4.25Å
118G81Confident87.4Confident69 Ų6964.1 Ų64.171%0.71137%0.369SS*.THydrogen-bonded Turntrans76.113.8-174.700000114.1L114 A115L114-G118 PolarHBondContact O-N 2.86Å; A115-G118 PolarHBondContact O-N 2.59Å
119I80.7Confident86.9Confident87 Ų8761.6 Ų61.645%0.44636%0.364SS..PPolyproline II helixtrans-96123.6179.8-58171.3000108.3L114 A115 F117L114-I119 CarbonylContact C-O 3.48Å; L114-I119 HydrophobicContact CB-CB 4.24Å; L114-I119 HydrophobicContact CB-CG2 4.45Å; L114-I119 WeakPolarHBondContact CB-O 3.36Å; L114-I119 HydrophobicContact CD2-CB 4.2Å; L114-I119 HydrophobicContact CD2-CD1 4.36Å; L114-I119 HydrophobicContact CD2-CG2 4.02Å; L114-I119 PolarHBondContact O-N 2.96Å; A115-I119 PolarHBondContact N-O 3.46Å; F117-I119 VanDerWaalsContact C-N 3.29Å; F117-I119 HydrophobicContact CB-CD1 4.13Å; F117-I119 HydrophobicContact CB-CG1 4.25Å
120Q86.1Confident86.7Confident161 Ų16159.6 Ų59.675%0.75235%0.349SS*.PPolyproline II helixtrans-81.3159.5173-64.2-173.7600110.6P122Q120-P122 WeakPolarHBondContact O-CD 3.39Å
121W87.9Confident86.5Confident39 Ų3960.8 Ų60.815%0.14836%0.357CS..PPolyproline II helixtrans-58.4124.3176.1-171.7-109.9000110.3F79 V106 E107 C110 A111 L114 S123 L125F79-W121 HydrophobicContact CE1-CZ2 4.12Å; V106-W121 HydrophobicContact CG1-CH2 3.9Å; E107-W121 HydrophobicContact CB-CD2 4.28Å; E107-W121 HydrophobicContact CB-CZ2 4.07Å; E107-W121 HydrophobicContact CG-CD2 3.98Å; E107-W121 HydrophobicContact CG-CG 4.01Å; C110-W121 HydrophobicContact CB-CH2 4.34Å; C110-W121 HydrophobicContact CB-CZ3 3.77Å; A111-W121 HydrophobicContact CB-CB 4.41Å; A111-W121 HydrophobicContact CB-CE3 4.08Å; L114-W121 HydrophobicContact CD1-CE3 3.84Å; L114-W121 HydrophobicContact CD1-CZ3 3.99Å; W121-S123 PolarHBondContact O-N 2.81Å; W121-L125 HydrophobicContact CH2-CD1 4.11Å; W121-L125 HydrophobicContact CZ2-CB 3.76Å; W121-L125 HydrophobicContact CZ2-CD1 3.96Å; W121-L125 PolarHBondContact NE1-O 2.88Å
122P84.8Confident86.4Confident33 Ų3363.2 Ų63.221%0.21437%0.369CS..PPolyproline II helixtrans-59.9138-173-2735.6000113.1F64 Q120 V124 L125 N126F64-P122 HydrophobicContact CE1-CG 4.32Å; Q120-P122 WeakPolarHBondContact O-CD 3.39Å; P122-V124 HydrophobicContact CB-CG2 4.02Å; P122-V124 PolarHBondContact O-N 2.9Å; P122-L125 HydrophobicContact CB-CD1 4.42Å; P122-L125 HydrophobicContact CB-CG 4.27Å; P122-L125 HydrophobicContact CG-CD1 4.25Å; P122-L125 CarbonylContact O-C 3.53Å; P122-L125 WeakPolarHBondContact O-CA 3.37Å; P122-L125 PolarHBondContact O-N 3.34Å; P122-N126 PolarHBondContact O-N 3.39Å
123S84.5Confident86.1Confident94 Ų9464.5 Ų64.566%0.65737%0.369SS*.G310 helixtrans-60.2-32.4178.951.10000113W121 L125 N126 Q129W121-S123 PolarHBondContact O-N 2.81Å; S123-L125 PolarHBondContact O-N 3.35Å; S123-N126 VanDerWaalsContact O-CB 3.26Å; S123-N126 WeakPolarHBondContact O-CB 3.45Å; S123-N126 PolarHBondContact O-N 2.67Å; S123-Q129 PolarHBondContact O-NE2 2.87Å
124V80.6Confident85.7Confident33 Ų3371 Ų7120%0.240%0.402CS..G310 helixtrans-68.1-11.6173.9-58.40000114I49 P122 Q129I49-V124 HydrophobicContact CD1-CB 4.33Å; I49-V124 HydrophobicContact CD1-CG2 4.42Å; I49-V124 HydrophobicContact CG1-CB 4.26Å; P122-V124 HydrophobicContact CB-CG2 4.02Å; P122-V124 PolarHBondContact O-N 2.9Å; V124-Q129 PolarHBondContact O-OE1 3.02Å
125L89Confident85.3Confident0 Ų072 Ų720%041%0.41CS..G310 helixtrans-112.315.4175.6-56.8-176.8000112F64 F79 L80 V83 C103 W121 P122 S123 C127F64-L125 HydrophobicContact CE1-CD1 3.92Å; F79-L125 HydrophobicContact CE1-CB 4.1Å; F79-L125 HydrophobicContact CE1-CD1 4.26Å; F79-L125 HydrophobicContact CE1-CD2 3.85Å; F79-L125 HydrophobicContact CE1-CG 4.28Å; F79-L125 HydrophobicContact CZ-CB 4.32Å; F79-L125 HydrophobicContact CZ-CD2 4.18Å; L80-L125 HydrophobicContact CD2-CD1 3.88Å; L80-L125 HydrophobicContact CD2-CD2 4.17Å; V83-L125 HydrophobicContact CG1-CD2 4.35Å; V83-L125 HydrophobicContact CG2-CD2 4.17Å; C103-L125 PolarHBondContact SG-O 3.23Å; W121-L125 HydrophobicContact CH2-CD1 4.11Å; W121-L125 HydrophobicContact CZ2-CB 3.76Å; W121-L125 HydrophobicContact CZ2-CD1 3.96Å; W121-L125 PolarHBondContact NE1-O 2.88Å; P122-L125 HydrophobicContact CB-CD1 4.42Å; P122-L125 HydrophobicContact CB-CG 4.27Å; P122-L125 HydrophobicContact CG-CD1 4.25Å; P122-L125 CarbonylContact O-C 3.53Å; P122-L125 WeakPolarHBondContact O-CA 3.37Å; P122-L125 PolarHBondContact O-N 3.34Å; S123-L125 PolarHBondContact O-N 3.35Å; L125-C127 PolarHBondContact O-N 3.05Å
126N89.4Confident84.9Confident44 Ų4478.2 Ų78.224%0.23543%0.429CS..  trans-65.8119.4-177.9175.4-17.8000111.2P122 S123 S128 Q129P122-N126 PolarHBondContact O-N 3.39Å; S123-N126 VanDerWaalsContact O-CB 3.26Å; S123-N126 WeakPolarHBondContact O-CB 3.45Å; S123-N126 PolarHBondContact O-N 2.67Å; N126-S128 VanDerWaalsContact CG-OG 3.26Å; N126-S128 PolarHBondContact ND2-OG 3.28Å; N126-S128 PolarHBondContact O-N 3.02Å; N126-S128 WeakPolarHBondContact OD1-CB 3.4Å; N126-S128 PolarHBondContact OD1-N 2.99Å; N126-S128 PolarHBondContact OD1-OG 3.49Å; N126-Q129 HydrophobicContact CB-CG 4.45Å; N126-Q129 WeakPolarHBondContact O-CB 3.5Å; N126-Q129 WeakPolarHBondContact O-CG 3.48Å; N126-Q129 PolarHBondContact O-N 3.04Å
127C92Very high84.6Confident4 Ų474.4 Ų74.43%0.02741%0.412CS..G310 helixtrans-64-13.1-172.3-57.20000115.8R100 C103 Q104 E107 L125 Q129R100-C127 WeakPolarHBondContact CG-O 3.36Å; R100-C127 PolarHBondContact NE-O 3.48Å; C103-C127 HydrophobicContact CB-CB 3.77Å; C103-C127 WeakPolarHBondContact CB-SG 3.38Å; C103-C127 PolarHBondContact O-SG 3.01Å; C103-C127 VanDerWaalsContact O-SG 3.39Å; C103-C127 WeakPolarHBondContact SG-CA 3.45Å; C103-C127 WeakPolarHBondContact SG-CB 3.3Å; C103-C127 CovalentContact SG-SG 2.05Å; C103-C127 PolarHBondContact SG-SG 2.87Å; Q104-C127 HydrophobicContact CG-CB 3.78Å; Q104-C127 PolarHBondContact N-SG 2.95Å; Q104-C127 VanDerWaalsContact N-SG 3.38Å; E107-C127 PolarHBondContact OE2-SG 3.14Å; E107-C127 VanDerWaalsContact OE2-SG 3.35Å; L125-C127 PolarHBondContact O-N 3.05Å; C127-Q129 PolarHBondContact O-N 2.88Å
128S88.8Confident84.7Confident74 Ų7469.9 Ų69.952%0.51740%0.398SS..G310 helixtrans-66.1-23.9170.861.90000113.9R100 N126 F130R100-S128 PolarHBondContact NH2-O 3.39Å; N126-S128 VanDerWaalsContact CG-OG 3.26Å; N126-S128 PolarHBondContact ND2-OG 3.28Å; N126-S128 PolarHBondContact O-N 3.02Å; N126-S128 WeakPolarHBondContact OD1-CB 3.4Å; N126-S128 PolarHBondContact OD1-N 2.99Å; N126-S128 PolarHBondContact OD1-OG 3.49Å; S128-F130 VanDerWaalsContact C-N 3.34Å
129Q86.1Confident85.2Confident107 Ų10767.8 Ų67.850%0.537%0.372SS..G310 helixtrans-74.2-24.6-178.6-62.2166.90.200112.8S123 V124 N126 C127S123-Q129 PolarHBondContact O-NE2 2.87Å; V124-Q129 PolarHBondContact O-OE1 3.02Å; N126-Q129 HydrophobicContact CB-CG 4.45Å; N126-Q129 WeakPolarHBondContact O-CB 3.5Å; N126-Q129 WeakPolarHBondContact O-CG 3.48Å; N126-Q129 PolarHBondContact O-N 3.04Å; C127-Q129 PolarHBondContact O-N 2.88Å
130F89.6Confident85.7Confident5 Ų565 Ų652%0.02236%0.358CS..SBendtrans-87.4144.7-170.5-66-87.5000112.6L48 F79 V83 T97 S98 R100 C103 S128L48-F130 HydrophobicContact CD1-CE1 4.32Å; F79-F130 HydrophobicContact CE2-CD1 4.27Å; F79-F130 HydrophobicContact CE2-CD2 4.43Å; F79-F130 AromaticContact CE2-CE1 3.83Å; F79-F130 HydrophobicContact CE2-CE1 3.83Å; F79-F130 AromaticContact CE2-CE2 3.99Å; F79-F130 HydrophobicContact CE2-CE2 3.99Å; F79-F130 AromaticContact CE2-CZ 3.67Å; F79-F130 HydrophobicContact CE2-CZ 3.67Å; F79-F130 HydrophobicContact CZ-CE1 4.37Å; F79-F130 AromaticContact CZ-CE2 3.87Å; F79-F130 HydrophobicContact CZ-CE2 3.87Å; F79-F130 AromaticContact CZ-CZ 3.74Å; F79-F130 HydrophobicContact CZ-CZ 3.74Å; V83-F130 HydrophobicContact CG2-CE1 3.71Å; V83-F130 HydrophobicContact CG2-CZ 3.61Å; T97-F130 HydrophobicContact CG2-CD1 3.86Å; T97-F130 HydrophobicContact CG2-CE1 4.22Å; S98-F130 WeakPolarHBondContact O-CD1 3.34Å; R100-F130 HydrophobicContact CB-CB 4.25Å; R100-F130 VanDerWaalsContact CZ-O 3.28Å; R100-F130 PolarHBondContact NE-O 3.3Å; R100-F130 PolarHBondContact NH2-O 3.03Å; C103-F130 HydrophobicContact CB-CD2 4.13Å; C103-F130 HydrophobicContact CB-CG 4.41Å; S128-F130 VanDerWaalsContact C-N 3.34Å
131P89.5Confident85.9Confident25 Ų2559.5 Ų59.516%0.16233%0.333CS..PPolyproline II helixtrans-61.4158175.825.2-36.1000113.1T97 R100 S135 C139T97-P131 HydrophobicContact CG2-CG 4.23Å; R100-P131 VanDerWaalsContact CB-O 3.26Å; R100-P131 WeakPolarHBondContact CB-O 3.43Å; R100-P131 PolarHBondContact N-O 3.45Å; P131-S135 WeakPolarHBondContact CB-OG 3.08Å; P131-C139 HydrophobicContact CB-CB 4.12Å; P131-C139 HydrophobicContact CG-CB 3.5Å
132V88.8Confident85.7Confident77 Ų7760 Ų6047%0.46734%0.342SS..PPolyproline II helixtrans-94.2149.9178.4-178.20000108.9N134 S135V132-N134 PolarHBondContact O-N 3.26Å; V132-S135 PolarHBondContact N-OG 2.97Å; V132-S135 WeakPolarHBondContact O-CB 3.36Å; V132-S135 PolarHBondContact O-N 3.2Å; V132-S135 PolarHBondContact O-OG 3.45Å
133Q84Confident85.3Confident99 Ų9961.1 Ų61.146%0.46335%0.35SS..THydrogen-bonded Turntrans-53.1132.2173.4-72.8-179.5-4.200110.8C99 S101 D141C99-Q133 HydrophobicContact CB-CG 4.06Å; S101-Q133 PolarHBondContact OG-NE2 2.9Å; Q133-D141 PolarHBondContact NE2-OD2 2.92Å
134N78.4Confident83.9Confident168 Ų16862.4 Ų62.490%0.89836%0.356SS*.THydrogen-bonded Turntrans66.323.9-174.8-40.4-68.2000115.6V132V132-N134 PolarHBondContact O-N 3.26Å
135S78.4Confident82.3Confident39 Ų3965.5 Ų65.527%0.27339%0.385SS..PPolyproline II helixtrans-86164.9161.4660000112.3P131 V132 P137P131-S135 WeakPolarHBondContact CB-OG 3.08Å; V132-S135 PolarHBondContact N-OG 2.97Å; V132-S135 WeakPolarHBondContact O-CB 3.36Å; V132-S135 PolarHBondContact O-N 3.2Å; V132-S135 PolarHBondContact O-OG 3.45Å; S135-P137 CarbonylContact C-O 3.57Å; S135-P137 CarbonylContact O-C 3.58Å; S135-P137 VanDerWaalsContact O-C 3.26Å; S135-P137 PolarHBondContact OG-O 2.88Å
136E76.7Confident79.9Confident191 Ų19175.8 Ų75.889%0.89343%0.43SS*.SBendtrans-102128.8158.7-67.5177.5169.400107.9
137P76.8Confident77.2Confident62 Ų6276.1 Ų76.140%0.40344%0.444SS..SBendcis-67.1156.3-4.530.5-36.1000112.7S135S135-P137 CarbonylContact C-O 3.57Å; S135-P137 CarbonylContact O-C 3.58Å; S135-P137 VanDerWaalsContact O-C 3.26Å; S135-P137 PolarHBondContact OG-O 2.88Å
138P86.6Confident74.4Confident56 Ų5684.4 Ų84.436%0.36449%0.487SS..PPolyproline II helixtrans-68.9166.2178.129.5-34.5000111.9M92M92-P138 HydrophobicContact CE-CG 3.48Å; M92-P138 VanDerWaalsContact CE-CG 3.48Å; M92-P138 HydrophobicContact SD-CG 3.74Å
139C91.3Very high71.8Confident26 Ų2686.4 Ų86.418%0.17650%0.501CS..  trans-142.5156.5-176.566.10000111.9T97 C99 P131T97-C139 WeakPolarHBondContact O-CA 3.09Å; C99-C139 WeakPolarHBondContact CA-SG 3.36Å; C99-C139 HydrophobicContact CB-CB 3.94Å; C99-C139 WeakPolarHBondContact CB-SG 3.44Å; C99-C139 WeakPolarHBondContact SG-CB 3.29Å; C99-C139 PolarHBondContact SG-O 3.37Å; C99-C139 VanDerWaalsContact SG-O 3.4Å; C99-C139 CovalentContact SG-SG 2.04Å; C99-C139 PolarHBondContact SG-SG 3.41Å; P131-C139 HydrophobicContact CB-CB 4.12Å; P131-C139 HydrophobicContact CG-CB 3.5Å
140M91.2Very high69Low29 Ų2989 Ų8914%0.14352%0.518CS..BIsolated β-bridgetrans-93.4137.5-180-62.2177.4-72.700112Y40 F78 M87 I96 T97 S98 C99Y40-M140 HydrophobicContact CD1-CE 4.43Å; Y40-M140 HydrophobicContact CD1-SD 3.95Å; Y40-M140 HydrophobicContact CE1-CE 3.87Å; Y40-M140 HydrophobicContact CE1-SD 3.95Å; F78-M140 HydrophobicContact CE1-CB 4.11Å; F78-M140 HydrophobicContact CZ-CB 3.78Å; F78-M140 HydrophobicContact CZ-CE 4.42Å; F78-M140 HydrophobicContact CZ-SD 4.13Å; M87-M140 HydrophobicContact CB-CE 3.88Å; M87-M140 HydrophobicContact CB-SD 3.97Å; M87-M140 HydrophobicContact SD-SD 3.8Å; I96-M140 HydrophobicContact CG2-CE 4.37Å; I96-M140 HydrophobicContact CG2-CG 3.92Å; I96-M140 VanDerWaalsContact O-CE 3.31Å; I96-M140 WeakPolarHBondContact O-CE 3.47Å; T97-M140 PolarHBondContact O-N 3.27Å; S98-M140 CarbonylContact C-O 3.48Å; S98-M140 WeakPolarHBondContact CA-O 3.47Å; C99-M140 PolarHBondContact N-O 3.43Å; C99-M140 PolarHBondContact SG-O 2.99Å
141D89.2Confident66.2Low44 Ų4499.3 Ų99.324%0.23556%0.557CS.*  trans-129119.7167.1-159.5-50.7000108.1S101 V102 Q133 S143S101-D141 PolarHBondContact OG-OD2 3.44Å; V102-D141 HydrophobicContact CG2-CB 4.08Å; Q133-D141 PolarHBondContact NE2-OD2 2.92Å; D141-S143 PolarHBondContact O-N 3.39Å; D141-S143 WeakPolarHBondContact OD1-CB 3.22Å; D141-S143 PolarHBondContact OD1-N 3.47Å; D141-S143 PolarHBondContact OD1-OG 2.9Å
142P84.2Confident63.4Low51 Ų51105.1 Ų105.133%0.33159%0.587SS.*  trans-76.5-7.7-178.633.3-36.1000112.5N75 F78 V102N75-P142 HydrophobicContact CB-CG 4.44Å; N75-P142 WeakPolarHBondContact OD1-CG 3.35Å; F78-P142 HydrophobicContact CD1-CB 4.15Å; F78-P142 HydrophobicContact CD1-CG 3.74Å; F78-P142 HydrophobicContact CD2-CB 4.28Å; F78-P142 HydrophobicContact CE1-CB 4.28Å; F78-P142 HydrophobicContact CE1-CG 4.06Å; F78-P142 HydrophobicContact CE2-CB 4.41Å; F78-P142 HydrophobicContact CG-CB 4.16Å; F78-P142 HydrophobicContact CG-CG 4.1Å; F78-P142 HydrophobicContact CZ-CB 4.42Å; V102-P142 HydrophobicContact CG1-CG 4.43Å
143S75.5Confident60.9Low55 Ų55111.1 Ų111.139%0.38561%0.609SS.*SBendtrans-65.1134.4177.5-50.50000110.7D141 A145D141-S143 PolarHBondContact O-N 3.39Å; D141-S143 WeakPolarHBondContact OD1-CB 3.22Å; D141-S143 PolarHBondContact OD1-N 3.47Å; D141-S143 PolarHBondContact OD1-OG 2.9Å; S143-A145 PolarHBondContact O-N 2.75Å
144P56.8Low58.4Low122 Ų122117.6 Ų117.679%0.79263%0.629SS**PPolyproline II helixtrans-58.2128.4172.424.8-33000109.2K146P144-K146 PolarHBondContact O-N 3.33Å; P144-K146 VanDerWaalsContact O-N 3.13Å
145A46.2Very low56.4Low98 Ų98117.7 Ų117.781%0.8163%0.625SS**PPolyproline II helixtrans-51.5121.4-170.300000111.5S143 G147S143-A145 PolarHBondContact O-N 2.75Å; A145-G147 PolarHBondContact O-N 3.02Å
146K38.1Very low54.5Low216 Ų216124.3 Ų124.394%0.93965%0.651SS**  trans-71.659.9163.6-75.7-176177.4174.10109.9P144P144-K146 PolarHBondContact O-N 3.33Å; P144-K146 VanDerWaalsContact O-N 3.13Å
147G32.5Very low52.7Low50 Ų50121.3 Ų121.352%0.51564%0.641SS.*  trans-67.4131.5172.700000110.4A145A145-G147 PolarHBondContact O-N 3.02Å
148L34Very low50.7Low178 Ų178129.5 Ų129.593%0.93266%0.664SS**SBendtrans57.568.6161.9-57.6102.7000117.2
149S33.1Very low48.4Very low117 Ų117132.6 Ų132.682%0.81868%0.684SS**  trans-140.562.5141.2-157.60000112.4
150N28.9Very low45.9Very low162 Ų162136.8 Ų136.887%0.86671%0.714SS**  trans-110.168.4158.5-17411.3000108.8
151R31.1Very low43.5Very low221 Ų221140.5 Ų140.583%0.83474%0.742SS**  trans-156.3135.9166.6-103.6169-168.8-176.22.5108
152N29.6Very low41.3Very low146 Ų146143.7 Ų143.778%0.78177%0.768SS**  trans79.877.2-179.6-50.4-11.6000116.1
153H36.3Very low39.3Very low203 Ų203145.9 Ų145.994%0.9478%0.784SS**  trans-158.973.4131.6-102.534000109.9
154R31.8Very low37.7Very low235 Ų235154.6 Ų154.689%0.88781%0.809SS**  trans-124.9142.1155.8-85-173.4173.2-179.3-2106.5
155Q35.9Very low36.8Very low171 Ų171152.8 Ų152.880%0.79981%0.812SS**  trans65.3119.6-176.8-57.7164.6-63.800112.4
156H39.6Very low36.4Very low178 Ų178152.5 Ų152.582%0.82481%0.81SS**  -148.316254.5-108-82.8000115.7
157D38.8Very low36.2Very low128 Ų128148.3 Ų148.368%0.68480%0.803SS**  trans-76.8144.5-174.8-73.3-87.3000116.9
158R34.5Very low36.4Very low233 Ų233152 Ų15288%0.87982%0.816SS**  trans76.2155.9137.6-77-178.5173.2-167.9-2.1121.6
159P38.1Very low36.6Very low121 Ų121149 Ų14979%0.78681%0.805SS**  trans-129.7159.3-150.741.5-24.8000116.5
160S38.9Very low36.7Very low115 Ų115150 Ų15080%0.80481%0.805SS**  trans-173.8150.7163.152.70000108.7
161S40.8Very low36.9Very low106 Ų106153.8 Ų153.874%0.74181%0.808SS**  cis177.8158.7-16.851.60000107.3
162S42.4Very low37Very low111 Ų111148.2 Ų148.278%0.77680%0.803SS**  trans71.4146.5175.5-152.80000114.1
163S42.8Very low37.3Very low97 Ų97152.8 Ų152.868%0.67881%0.809SS**  cis-168.7168.6413.50000108.3
164R42.1Very low37.2Very low238 Ų238151.6 Ų151.690%0.89880%0.804SS**  cis-167.1129.7-5.3-111.2169-176.1170.90.5109
165G36.8Very low37.2Very low84 Ų84145.5 Ų145.587%0.86679%0.794SS**  trans73.9156.3159.700000118.1
166A38.5Very low37Very low93 Ų93144.3 Ų144.377%0.76979%0.792SS**  cis-151.8128-8.100000108.5
167T32.8Very low36.4Very low127 Ų127141.9 Ų141.978%0.77979%0.792SS**  75.196.383.4-43.30000116.5
168T38.7Very low36.2Very low129 Ų129141.7 Ų141.779%0.79180%0.795SS**  trans-169.794.5141.424.50000109
169T37.2Very low36.1Very low114 Ų114135.3 Ų135.370%0.69979%0.787SS**  86.297.891.952.10000117.3
170V34.5Very low35.5Very low137 Ų137140.5 Ų140.583%0.8379%0.791SS**  51.2116.1127.9-1760000119.3
171R34.5Very low35.1Very low242 Ų242144.9 Ų144.991%0.91379%0.791SS**  -165.2131.297.6-154165.3-172.2164.92.1113.2
172S31.8Very low34.5Very low104 Ų104148.3 Ų148.373%0.72780%0.795SS**  trans-88.9140.9177-178.20000112.2
173R36.7Very low33.9Very low242 Ų242151.1 Ų151.191%0.91380%0.801SS**  trans-142.3118.6154.6-85.6-171.9170.9179.3-3108.3
174Q33.7Very low33.3Very low179 Ų179151 Ų15184%0.83681%0.806SS**  trans-69.6157.5171.3-66.9173.4-33.100110.8
175P32.2Very low32.9Very low106 Ų106145.1 Ų145.169%0.68880%0.796SS**  -144.2136.4123.827.7-8.7000116.1
176I31.7Very low33Very low147 Ų147146.1 Ų146.175%0.75479%0.787SS**  60.6127.6129-53.5168.7000118.8V178I176-V178 PolarHBondContact O-N 3.49Å
177P27.7Very low33.3Very low126 Ų126147.8 Ų147.882%0.81879%0.788SS**PPolyproline II helixtrans-73.2126.8177.231-34.8000112.2
178V34.3Very low34.3Very low124 Ų124144.5 Ų144.575%0.75277%0.766SS**PPolyproline II helixtrans-83.1123.7176179.10000109.9I176 Y181I176-V178 PolarHBondContact O-N 3.49Å; V178-Y181 HydrophobicContact CG1-CD2 3.93Å; V178-Y181 HydrophobicContact CG1-CE2 4Å
179S31.2Very low35.4Very low100 Ų100141.6 Ų141.670%0.69976%0.762SS**PPolyproline II helixtrans-69.1159.3175.3-163.60000111.8Y181S179-Y181 WeakPolarHBondContact O-CD2 3.35Å; S179-Y181 PolarHBondContact O-N 3.4Å
180R27Very low36.7Very low230 Ų230136.2 Ų136.287%0.86873%0.729SS**  trans-45102178.7-177.3-177.7-62175.40.6112.7
181Y30.7Very low38.2Very low207 Ų207130.7 Ų130.781%0.81270%0.7SS**  trans-86.1123.4161.7-86.2-90.4000109.2V178 S179V178-Y181 HydrophobicContact CG1-CD2 3.93Å; V178-Y181 HydrophobicContact CG1-CE2 4Å; S179-Y181 WeakPolarHBondContact O-CD2 3.35Å; S179-Y181 PolarHBondContact O-N 3.4Å
182E28.5Very low40Very low178 Ų178123.9 Ų123.983%0.83269%0.685SS**  trans-67.8143.7172.1-71.1170.7124.700110.3A184E182-A184 PolarHBondContact O-N 3.39Å
183L29.1Very low42Very low170 Ų170119.6 Ų119.689%0.8965%0.653SS**  trans-73.890.1-174.5-169.175.6000109.8T185L183-T185 PolarHBondContact O-N 2.92Å; L183-T185 VanDerWaalsContact O-N 3.09Å
184A29.5Very low43.8Very low95 Ų95108 Ų10879%0.78561%0.61SS**  trans-61.6110.8174.800000110.2E182E182-A184 PolarHBondContact O-N 3.39Å
185T34.4Very low45.7Very low113 Ų11399.6 Ų99.669%0.69357%0.57SS**  trans-68.2151.1169380000110.3L183 T187L183-T185 PolarHBondContact O-N 2.92Å; L183-T185 VanDerWaalsContact O-N 3.09Å; T185-T187 PolarHBondContact O-N 3.05Å
186P39.2Very low47.5Very low105 Ų10597.2 Ų97.268%0.68255%0.551SS**  trans-57.9130.7-171.5-24.434.3000112.1D188P186-D188 PolarHBondContact O-N 2.9Å
187T44Very low49.1Very low128 Ų12890.9 Ų90.979%0.78552%0.518SS*.  trans-68.3112.5179.848.50000110.8T185 G189T185-T187 PolarHBondContact O-N 3.05Å; T187-G189 PolarHBondContact O-N 3.46Å
188D53.9Low50.4Low58 Ų5888.3 Ų88.331%0.3150%0.498SS..  trans-47.8135.2158.2-91.5-42.3000109.2P186 C190 G191 Y294P186-D188 PolarHBondContact O-N 2.9Å; D188-C190 PolarHBondContact O-N 3.31Å; D188-G191 PolarHBondContact O-N 2.95Å; D188-G191 VanDerWaalsContact O-N 3.12Å; D188-Y294 WeakPolarHBondContact OD2-CE2 3.49Å
189G61.2Low51.5Low69 Ų6985.8 Ų85.871%0.71148%0.475SS*.THydrogen-bonded Turntrans-61.8-1.8177.700000114.8T187T187-G189 PolarHBondContact O-N 3.46Å
190C64.9Low52.2Low1 Ų184 Ų841%0.00746%0.455CS..THydrogen-bonded Turntrans-101.79.9179.6-68.90000114.1D188 F194 C206D188-C190 PolarHBondContact O-N 3.31Å; C190-F194 HydrophobicContact CB-CB 3.95Å; C190-F194 WeakPolarHBondContact O-CB 3.49Å; C190-C206 WeakPolarHBondContact CA-SG 3.43Å; C190-C206 HydrophobicContact CB-CB 3.6Å; C190-C206 WeakPolarHBondContact CB-SG 3.49Å; C190-C206 WeakPolarHBondContact SG-CA 3.47Å; C190-C206 WeakPolarHBondContact SG-CB 3.5Å; C190-C206 CovalentContact SG-SG 2.03Å; C190-C206 PolarHBondContact SG-SG 3.13Å
191G66.9Low53.3Low21 Ų2180 Ų8022%0.21645%0.451CS..THydrogen-bonded Turntrans71.6-168.8178.800000113.5D188 N498D188-G191 PolarHBondContact O-N 2.95Å; D188-G191 VanDerWaalsContact O-N 3.12Å; G191-N498 WeakPolarHBondContact CA-OD1 3.34Å
192T71.9Confident54.3Low98 Ų9870.9 Ų70.960%0.60142%0.416SS*.THydrogen-bonded Turntrans-79.7-40.1-17155.30000113.5K209 N498T192-K209 WeakPolarHBondContact O-CD 3.23Å; T192-K209 PolarHBondContact O-NZ 3.13Å; T192-N498 PolarHBondContact N-OD1 2.95Å
193Q73.3Confident55.4Low14 Ų1468.5 Ų68.57%0.06541%0.405CS..THydrogen-bonded Turntrans-83-11.5-173.7-55.3-163.3-79.600114.5L208 K209 E212 H213Q193-L208 HydrophobicContact CB-CD1 4.44Å; Q193-K209 WeakPolarHBondContact O-CB 3.2Å; Q193-K209 PolarHBondContact O-N 2.93Å; Q193-E212 HydrophobicContact CB-CB 4.39Å; Q193-E212 HydrophobicContact CB-CG 4.09Å; Q193-E212 PolarHBondContact NE2-OE2 3.14Å; Q193-H213 PolarHBondContact NE2-O 2.92Å; Q193-H213 VanDerWaalsContact NE2-O 3.09Å
194F75.8Confident56.6Low0 Ų065.3 Ų65.30%039%0.389CS..EExtended strand (participates in β ladder)trans-117.1158.8179.7-53.8-106.3000110C190 C206 V207 L208 K209 W214 W473 L497C190-F194 HydrophobicContact CB-CB 3.95Å; C190-F194 WeakPolarHBondContact O-CB 3.49Å; F194-C206 HydrophobicContact CB-CB 4.07Å; F194-C206 HydrophobicContact CD1-CB 4.42Å; F194-C206 HydrophobicContact CG-CB 4.44Å; F194-V207 CarbonylContact C-O 3.58Å; F194-V207 WeakPolarHBondContact CA-O 3.29Å; F194-V207 VanDerWaalsContact CB-O 3.23Å; F194-V207 WeakPolarHBondContact CB-O 3.39Å; F194-L208 HydrophobicContact CD1-CB 4.26Å; F194-L208 HydrophobicContact CD1-CD1 4.26Å; F194-L208 HydrophobicContact CE1-CB 4.25Å; F194-L208 HydrophobicContact CE1-CD1 3.94Å; F194-L208 HydrophobicContact CE2-CD1 4.46Å; F194-L208 HydrophobicContact CZ-CD1 4.04Å; F194-K209 WeakPolarHBondContact O-CE 3.44Å; F194-K209 PolarHBondContact O-NZ 3.41Å; F194-W214 HydrophobicContact CE1-CD2 4.05Å; F194-W214 AromaticContact CE1-CE3 3.97Å; F194-W214 HydrophobicContact CE1-CE3 3.97Å; F194-W214 HydrophobicContact CE1-CZ3 4.25Å; F194-W214 HydrophobicContact CE2-CG 4.37Å; F194-W214 HydrophobicContact CZ-CB 4.46Å; F194-W214 AromaticContact CZ-CD1 3.87Å; F194-W214 AromaticContact CZ-CD2 3.5Å; F194-W214 HydrophobicContact CZ-CD2 3.5Å; F194-W214 AromaticContact CZ-CE2 3.66Å; F194-W214 AromaticContact CZ-CE3 3.93Å; F194-W214 HydrophobicContact CZ-CE3 3.93Å; F194-W214 AromaticContact CZ-CG 3.7Å; F194-W214 HydrophobicContact CZ-CG 3.7Å; F194-W214 HydrophobicContact CZ-CZ2 4.24Å; F194-W214 HydrophobicContact CZ-CZ3 4.46Å; F194-W214 AromaticContact CZ-NE1 3.85Å; F194-W473 HydrophobicContact CD1-CH2 4.21Å; F194-W473 AromaticContact CE1-CH2 3.73Å; F194-W473 HydrophobicContact CE1-CH2 3.73Å; F194-W473 HydrophobicContact CE1-CZ3 4.2Å; F194-L497 HydrophobicContact CD1-CD2 4.28Å; F194-L497 HydrophobicContact CD2-CB 4.19Å; F194-L497 HydrophobicContact CD2-CD2 3.88Å; F194-L497 HydrophobicContact CE1-CD2 4.03Å; F194-L497 HydrophobicContact CE2-CB 4.09Å; F194-L497 HydrophobicContact CE2-CD2 3.63Å; F194-L497 HydrophobicContact CE2-CG 4.5Å; F194-L497 WeakPolarHBondContact CE2-O 3.41Å; F194-L497 HydrophobicContact CG-CD2 4.23Å; F194-L497 HydrophobicContact CZ-CD2 3.71Å
195A72.8Confident58.3Low1 Ų165.1 Ų65.11%0.00837%0.37CS..EExtended strand (participates in β ladder)trans-114.9147.2165.400000108.2C206 V207 K209 Y294 V296A195-C206 WeakPolarHBondContact O-CA 3.42Å; A195-V207 PolarHBondContact N-O 3.07Å; A195-V207 PolarHBondContact O-N 3.39Å; A195-K209 HydrophobicContact CB-CG 4.19Å; A195-Y294 HydrophobicContact CB-CD2 3.97Å; A195-Y294 HydrophobicContact CB-CG 4.32Å; A195-V296 HydrophobicContact CB-CG1 3.81Å
196M69.5Low60.1Low56 Ų5661.1 Ų61.128%0.27635%0.346SS..EExtended strand (participates in β ladder)trans-76.4129.1168.2-162.5169.9-72.100108.3N204M196-N204 HydrophobicContact SD-CB 4.14Å; M196-N204 PolarHBondContact SD-OD1 2.7Å
197I66Low61.8Low14 Ų1456.6 Ų56.67%0.07232%0.317CS..EExtended strand (participates in β ladder)trans-89.2114.1162.7-49.1-169.5000107.3R199 L202 K205 V207 L290I197-R199 HydrophobicContact CG2-CB 3.87Å; I197-R199 HydrophobicContact CG2-CG 4.26Å; I197-L202 HydrophobicContact CD1-CD2 4.36Å; I197-K205 PolarHBondContact N-O 3.27Å; I197-V207 HydrophobicContact CD1-CB 4.22Å; I197-V207 HydrophobicContact CD1-CG1 3.56Å; I197-V207 HydrophobicContact CD1-CG2 3.72Å; I197-V207 HydrophobicContact CG1-CB 4.22Å; I197-V207 HydrophobicContact CG1-CG1 3.76Å; I197-V207 HydrophobicContact CG1-CG2 3.44Å; I197-V207 VanDerWaalsContact CG1-CG2 3.44Å; I197-L290 HydrophobicContact CG1-CD2 4.29Å
198D54.8Low63.5Low73 Ų7351 Ų5139%0.3928%0.282SS..  trans-84.6108.2160.2-154-3.3000108.1
199R57.4Low65Low71 Ų7149.6 Ų49.627%0.26827%0.273SS..  trans-154.5140.2176.3-116.1-177.2170.8164.4-5.1107.7I197 D201 L202 H203 S301I197-R199 HydrophobicContact CG2-CB 3.87Å; I197-R199 HydrophobicContact CG2-CG 4.26Å; R199-D201 PolarHBondContact O-N 2.97Å; R199-D201 VanDerWaalsContact O-N 3.1Å; R199-L202 HydrophobicContact CB-CB 4.32Å; R199-L202 CarbonylContact O-C 3.06Å; R199-L202 PolarHBondContact O-N 3.42Å; R199-H203 PolarHBondContact O-N 3.11Å; R199-S301 PolarHBondContact NH1-OG 3.38Å
200H46.4Very low66.3Low63 Ų6347 Ų4729%0.29224%0.244SC..THydrogen-bonded Turntrans-48-42.1-178.7-113.5-80000113.7D51 S56 S60 L202 H203D51-H200 IonicContact OD1-CD2 2.74Å; D51-H200 PolarHBondContact OD1-CD2 2.96Å; D51-H200 IonicContact OD1-NE2 3.28Å; S56-H200 PolarHBondContact O-NE2 2.99Å; S60-H200 PolarHBondContact OG-NE2 3.13Å; H200-L202 PolarHBondContact O-N 2.74Å; H200-H203 PolarHBondContact O-CE1 2.87Å; H200-H203 VanDerWaalsContact O-CE1 3.23Å; H200-H203 PolarHBondContact O-ND1 3.14Å
201D48.7Very low67.2Low145 Ų14551.3 Ų51.378%0.77527%0.267SS*.THydrogen-bonded Turntrans-80.8-11.4179.8-54.9-55.9000114.9R199R199-D201 PolarHBondContact O-N 2.97Å; R199-D201 VanDerWaalsContact O-N 3.1Å
202L53.2Low68Low15 Ų1553.3 Ų53.38%0.07927%0.271CS..THydrogen-bonded Turntrans-1273.5-167.8-95.189.4000115.6I197 R199 H200 N204 K205 H300I197-L202 HydrophobicContact CD1-CD2 4.36Å; R199-L202 HydrophobicContact CB-CB 4.32Å; R199-L202 CarbonylContact O-C 3.06Å; R199-L202 PolarHBondContact O-N 3.42Å; H200-L202 PolarHBondContact O-N 2.74Å; L202-N204 PolarHBondContact O-N 3.11Å; L202-K205 HydrophobicContact CB-CD 4.36Å; L202-K205 HydrophobicContact CD2-CB 4.44Å; L202-K205 HydrophobicContact CD2-CD 4Å; L202-K205 HydrophobicContact CG-CD 3.94Å; L202-K205 VanDerWaalsContact O-CB 3.29Å; L202-K205 WeakPolarHBondContact O-CB 3.39Å; L202-K205 VanDerWaalsContact O-CG 3.27Å; L202-K205 WeakPolarHBondContact O-CG 3.49Å; L202-K205 PolarHBondContact O-N 3.46Å; L202-H300 HydrophobicContact CD1-CB 3.79Å; L202-H300 HydrophobicContact CD2-CB 4.27Å
203H49.9Very low68.5Low128 Ų12852.3 Ų52.359%0.59326%0.259SS*.THydrogen-bonded Turntrans4.197.6169.3-84.182000115.2R199 H200 K205R199-H203 PolarHBondContact O-N 3.11Å; H200-H203 PolarHBondContact O-CE1 2.87Å; H200-H203 VanDerWaalsContact O-CE1 3.23Å; H200-H203 PolarHBondContact O-ND1 3.14Å; H203-K205 VanDerWaalsContact C-N 3.29Å; H203-K205 PolarHBondContact O-N 3.49Å
204N54.8Low68.7Low104 Ų10452 Ų5256%0.55626%0.257SS*.THydrogen-bonded Turntrans59.623.1174.6-58.9-31.1000116.7M196 L202M196-N204 HydrophobicContact SD-CB 4.14Å; M196-N204 PolarHBondContact SD-OD1 2.7Å; L202-N204 PolarHBondContact O-N 3.11Å
205K64.5Low68.7Low90 Ų9053.2 Ų53.239%0.39126%0.263SS..EExtended strand (participates in β ladder)trans-74.9129.3171.1-75.8179-171.9170.50112I197 L202 H203I197-K205 PolarHBondContact N-O 3.27Å; L202-K205 HydrophobicContact CB-CD 4.36Å; L202-K205 HydrophobicContact CD2-CB 4.44Å; L202-K205 HydrophobicContact CD2-CD 4Å; L202-K205 HydrophobicContact CG-CD 3.94Å; L202-K205 VanDerWaalsContact O-CB 3.29Å; L202-K205 WeakPolarHBondContact O-CB 3.39Å; L202-K205 VanDerWaalsContact O-CG 3.27Å; L202-K205 WeakPolarHBondContact O-CG 3.49Å; L202-K205 PolarHBondContact O-N 3.46Å; H203-K205 VanDerWaalsContact C-N 3.29Å; H203-K205 PolarHBondContact O-N 3.49Å
206C72.7Confident69.4Low29 Ų2953.1 Ų53.120%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-79.5125.8170.2-55.70000111C190 F194 A195C190-C206 WeakPolarHBondContact CA-SG 3.43Å; C190-C206 HydrophobicContact CB-CB 3.6Å; C190-C206 WeakPolarHBondContact CB-SG 3.49Å; C190-C206 WeakPolarHBondContact SG-CA 3.47Å; C190-C206 WeakPolarHBondContact SG-CB 3.5Å; C190-C206 CovalentContact SG-SG 2.03Å; C190-C206 PolarHBondContact SG-SG 3.13Å; F194-C206 HydrophobicContact CB-CB 4.07Å; F194-C206 HydrophobicContact CD1-CB 4.42Å; F194-C206 HydrophobicContact CG-CB 4.44Å; A195-C206 WeakPolarHBondContact O-CA 3.42Å
207V74.8Confident70.2Confident11 Ų1151.9 Ų51.97%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-116.7146.9174.4-62.60000111.2F194 A195 I197 K209 V296 A299F194-V207 CarbonylContact C-O 3.58Å; F194-V207 WeakPolarHBondContact CA-O 3.29Å; F194-V207 VanDerWaalsContact CB-O 3.23Å; F194-V207 WeakPolarHBondContact CB-O 3.39Å; A195-V207 PolarHBondContact N-O 3.07Å; A195-V207 PolarHBondContact O-N 3.39Å; I197-V207 HydrophobicContact CD1-CB 4.22Å; I197-V207 HydrophobicContact CD1-CG1 3.56Å; I197-V207 HydrophobicContact CD1-CG2 3.72Å; I197-V207 HydrophobicContact CG1-CB 4.22Å; I197-V207 HydrophobicContact CG1-CG1 3.76Å; I197-V207 HydrophobicContact CG1-CG2 3.44Å; I197-V207 VanDerWaalsContact CG1-CG2 3.44Å; V207-K209 PolarHBondContact O-N 2.86Å; V207-V296 HydrophobicContact CG2-CB 3.72Å; V207-V296 HydrophobicContact CG2-CG1 3.79Å; V207-V296 HydrophobicContact CG2-CG2 3.95Å; V207-A299 HydrophobicContact CG1-CB 3.97Å
208L81.2Confident71.3Confident11 Ų1153 Ų536%0.05827%0.274CS..EExtended strand (participates in β ladder)trans-66.5131.4-178.1-171.270.1000110.6Q193 F194 E212 W214 L297 E377Q193-L208 HydrophobicContact CB-CD1 4.44Å; F194-L208 HydrophobicContact CD1-CB 4.26Å; F194-L208 HydrophobicContact CD1-CD1 4.26Å; F194-L208 HydrophobicContact CE1-CB 4.25Å; F194-L208 HydrophobicContact CE1-CD1 3.94Å; F194-L208 HydrophobicContact CE2-CD1 4.46Å; F194-L208 HydrophobicContact CZ-CD1 4.04Å; L208-E212 HydrophobicContact CD1-CB 3.87Å; L208-E212 HydrophobicContact CG-CB 4.17Å; L208-W214 HydrophobicContact CD1-CB 3.44Å; L208-W214 VanDerWaalsContact CD1-CB 3.44Å; L208-W214 HydrophobicContact CD1-CD2 4.41Å; L208-W214 HydrophobicContact CD1-CE3 4.24Å; L208-W214 HydrophobicContact CD1-CG 4.11Å; L208-W214 HydrophobicContact CD2-CB 4.25Å; L208-W214 HydrophobicContact CD2-CE3 4.36Å; L208-L297 HydrophobicContact CD2-CD2 4.34Å; L208-L297 PolarHBondContact O-N 2.84Å; L208-E377 HydrophobicContact CD2-CB 4.14Å; L208-E377 HydrophobicContact CD2-CG 3.55Å
209K84.8Confident73Confident28 Ų2857.1 Ų57.112%0.12229%0.291CS..BIsolated β-bridgetrans-65.6149.1172.1-73.9162.9171.5146.40110.3T192 Q193 F194 A195 V207 E212T192-K209 WeakPolarHBondContact O-CD 3.23Å; T192-K209 PolarHBondContact O-NZ 3.13Å; Q193-K209 WeakPolarHBondContact O-CB 3.2Å; Q193-K209 PolarHBondContact O-N 2.93Å; F194-K209 WeakPolarHBondContact O-CE 3.44Å; F194-K209 PolarHBondContact O-NZ 3.41Å; A195-K209 HydrophobicContact CB-CG 4.19Å; V207-K209 PolarHBondContact O-N 2.86Å; K209-E212 HydrophobicContact CB-CG 3.75Å; K209-E212 WeakPolarHBondContact O-CB 3.45Å; K209-E212 PolarHBondContact O-N 2.91Å
210C87.5Confident74.6Confident14 Ų1457.1 Ų57.110%0.09529%0.294CS..THydrogen-bonded Turntrans-62.5143-179.8-164.60000110.7E212 E283 C287 S295C210-E212 PolarHBondContact O-N 3.42Å; C210-E212 VanDerWaalsContact O-N 3.14Å; C210-E283 PolarHBondContact SG-OE1 3.37Å; C210-E283 VanDerWaalsContact SG-OE1 3.33Å; C210-C287 HydrophobicContact CB-CB 3.68Å; C210-C287 WeakPolarHBondContact CB-SG 3.47Å; C210-C287 WeakPolarHBondContact SG-CB 3.39Å; C210-C287 CovalentContact SG-SG 2.03Å; C210-C287 PolarHBondContact SG-SG 3.15Å; C210-S295 WeakPolarHBondContact CB-OG 3.38Å; C210-S295 PolarHBondContact N-O 2.83Å
211N84.4Confident76.8Confident91 Ų9155.2 Ų55.249%0.48729%0.285SS..THydrogen-bonded Turntrans64-2.1-176.1-43.6-65.8000117.1E283N211-E283 PolarHBondContact ND2-OE1 3.2Å
212E84Confident79Confident64 Ų6457.2 Ų57.230%0.29928%0.282SS..  trans-62.5153175-80.3-62154.600113.3Q193 L208 K209 C210 K221Q193-E212 HydrophobicContact CB-CB 4.39Å; Q193-E212 HydrophobicContact CB-CG 4.09Å; Q193-E212 PolarHBondContact NE2-OE2 3.14Å; L208-E212 HydrophobicContact CD1-CB 3.87Å; L208-E212 HydrophobicContact CG-CB 4.17Å; K209-E212 HydrophobicContact CB-CG 3.75Å; K209-E212 WeakPolarHBondContact O-CB 3.45Å; K209-E212 PolarHBondContact O-N 2.91Å; C210-E212 PolarHBondContact O-N 3.42Å; C210-E212 VanDerWaalsContact O-N 3.14Å; E212-K221 PolarHBondContact O-NZ 3.37Å
213H82.9Confident80.9Confident77 Ų7762 Ų6236%0.35630%0.302SS..  trans-108.885.4179.4-67.4-66.8000110.7Q193 F216 G218 K221Q193-H213 PolarHBondContact NE2-O 2.92Å; Q193-H213 VanDerWaalsContact NE2-O 3.09Å; H213-F216 PolarHBondContact ND1-O 3.23Å; H213-G218 WeakPolarHBondContact CE1-CA 3.44Å; H213-G218 PolarHBondContact CE1-N 3Å; H213-G218 PolarHBondContact ND1-N 3.49Å; H213-K221 PolarHBondContact ND1-NZ 2.74Å
214W75.9Confident83.1Confident6 Ų655.9 Ų55.92%0.02327%0.274CS..SBendtrans-103.8-60.8-177.6170.948.7000112.1F194 L208 E377 L472 W473 A501F194-W214 HydrophobicContact CE1-CD2 4.05Å; F194-W214 AromaticContact CE1-CE3 3.97Å; F194-W214 HydrophobicContact CE1-CE3 3.97Å; F194-W214 HydrophobicContact CE1-CZ3 4.25Å; F194-W214 HydrophobicContact CE2-CG 4.37Å; F194-W214 HydrophobicContact CZ-CB 4.46Å; F194-W214 AromaticContact CZ-CD1 3.87Å; F194-W214 AromaticContact CZ-CD2 3.5Å; F194-W214 HydrophobicContact CZ-CD2 3.5Å; F194-W214 AromaticContact CZ-CE2 3.66Å; F194-W214 AromaticContact CZ-CE3 3.93Å; F194-W214 HydrophobicContact CZ-CE3 3.93Å; F194-W214 AromaticContact CZ-CG 3.7Å; F194-W214 HydrophobicContact CZ-CG 3.7Å; F194-W214 HydrophobicContact CZ-CZ2 4.24Å; F194-W214 HydrophobicContact CZ-CZ3 4.46Å; F194-W214 AromaticContact CZ-NE1 3.85Å; L208-W214 HydrophobicContact CD1-CB 3.44Å; L208-W214 VanDerWaalsContact CD1-CB 3.44Å; L208-W214 HydrophobicContact CD1-CD2 4.41Å; L208-W214 HydrophobicContact CD1-CE3 4.24Å; L208-W214 HydrophobicContact CD1-CG 4.11Å; L208-W214 HydrophobicContact CD2-CB 4.25Å; L208-W214 HydrophobicContact CD2-CE3 4.36Å; W214-E377 PolarHBondContact N-OE1 3.34Å; W214-E377 VanDerWaalsContact N-OE1 3.14Å; W214-L472 HydrophobicContact CH2-CD2 4.21Å; W214-L472 HydrophobicContact CZ2-CD2 3.73Å; W214-L472 HydrophobicContact CZ2-CG 4.06Å; W214-W473 AromaticContact CH2-CD2 3.84Å; W214-W473 HydrophobicContact CH2-CD2 3.84Å; W214-W473 AromaticContact CH2-CE2 3.41Å; W214-W473 VanDerWaalsContact CH2-CE2 3.41Å; W214-W473 HydrophobicContact CH2-CE3 4.3Å; W214-W473 HydrophobicContact CH2-CG 4.39Å; W214-W473 HydrophobicContact CH2-CH2 4.06Å; W214-W473 AromaticContact CH2-CZ2 3.54Å; W214-W473 HydrophobicContact CH2-CZ2 3.54Å; W214-W473 HydrophobicContact CH2-CZ3 4.4Å; W214-W473 AromaticContact CH2-NE1 3.71Å; W214-W473 AromaticContact CZ3-CE2 3.87Å; W214-W473 HydrophobicContact CZ3-CH2 4.18Å; W214-W473 AromaticContact CZ3-CZ2 3.58Å; W214-W473 HydrophobicContact CZ3-CZ2 3.58Å; W214-A501 VanDerWaalsContact O-CA 3.28Å; W214-A501 WeakPolarHBondContact O-CA 3.06Å; W214-A501 VanDerWaalsContact O-CB 3.28Å; W214-A501 WeakPolarHBondContact O-CB 3.46Å; W214-A501 PolarHBondContact O-N 3.18Å
215M77.6Confident85Confident26 Ų2654.6 Ų54.613%0.12826%0.263CS..SBendtrans-88-27176.4-67.5-177.8-76.100112.6E377 V469 L472 P510M215-E377 VanDerWaalsContact CB-OE2 3.28Å; M215-E377 WeakPolarHBondContact CB-OE2 3.32Å; M215-E377 HydrophobicContact CE-CB 4.05Å; M215-E377 WeakPolarHBondContact CE-OE2 3.13Å; M215-E377 PolarHBondContact N-OE1 3.28Å; M215-E377 PolarHBondContact N-OE2 2.83Å; M215-V469 HydrophobicContact SD-CG2 4.4Å; M215-L472 HydrophobicContact CG-CD2 3.8Å; M215-L472 HydrophobicContact SD-CD2 4.18Å; M215-P510 HydrophobicContact CB-CG 4.04Å
216F85.7Confident86.5Confident0 Ų055.2 Ų55.20%027%0.27CS..SBendtrans-138.1134.7-171.2-52.8-78.8000113.6H213 K221 E377 L378 P510 V512 Y515H213-F216 PolarHBondContact ND1-O 3.23Å; F216-K221 HydrophobicContact CB-CG 4.16Å; F216-K221 VanDerWaalsContact O-CE 3.23Å; F216-K221 WeakPolarHBondContact O-CE 3.47Å; F216-E377 HydrophobicContact CD2-CB 4.49Å; F216-E377 PolarHBondContact N-OE1 3.46Å; F216-L378 HydrophobicContact CB-CD1 3.98Å; F216-L378 HydrophobicContact CD1-CD1 4.01Å; F216-L378 HydrophobicContact CD1-CD2 4.27Å; F216-L378 HydrophobicContact CD2-CB 3.68Å; F216-L378 HydrophobicContact CD2-CD1 4.18Å; F216-L378 HydrophobicContact CD2-CG 4.35Å; F216-L378 HydrophobicContact CE1-CD2 4Å; F216-L378 HydrophobicContact CE2-CB 3.73Å; F216-L378 HydrophobicContact CE2-CD2 4.33Å; F216-L378 HydrophobicContact CE2-CG 4.48Å; F216-L378 HydrophobicContact CG-CB 4.18Å; F216-L378 HydrophobicContact CG-CD1 3.78Å; F216-L378 HydrophobicContact CG-CG 4.38Å; F216-L378 HydrophobicContact CZ-CB 4.27Å; F216-L378 HydrophobicContact CZ-CD2 4.03Å; F216-P510 HydrophobicContact CD1-CG 4.37Å; F216-P510 HydrophobicContact CE1-CB 4.03Å; F216-P510 HydrophobicContact CE1-CG 3.63Å; F216-P510 HydrophobicContact CE2-CG 4.45Å; F216-P510 HydrophobicContact CZ-CB 4Å; F216-P510 HydrophobicContact CZ-CG 3.68Å; F216-V512 HydrophobicContact CD1-CG2 3.76Å; F216-V512 HydrophobicContact CE1-CG2 3.92Å; F216-Y515 HydrophobicContact CE1-CD2 4.39Å; F216-Y515 HydrophobicContact CE1-CE2 4.27Å; F216-Y515 HydrophobicContact CZ-CD2 4.19Å; F216-Y515 HydrophobicContact CZ-CE1 4.35Å; F216-Y515 AromaticContact CZ-CE2 3.79Å; F216-Y515 HydrophobicContact CZ-CE2 3.79Å; F216-Y515 AromaticContact CZ-CZ 3.88Å
217S86.9Confident87.7Confident30 Ų3057.5 Ų57.521%0.2127%0.274CS..  trans-64.5160.2174.565.40000112.7E219 Q220 K221S217-E219 VanDerWaalsContact C-N 3.26Å; S217-E219 PolarHBondContact O-N 3.22Å; S217-Q220 PolarHBondContact O-N 2.92Å; S217-Q220 WeakPolarHBondContact OG-CB 3.32Å; S217-Q220 VanDerWaalsContact OG-CG 3.25Å; S217-Q220 WeakPolarHBondContact OG-CG 3.46Å; S217-Q220 PolarHBondContact OG-N 3.25Å; S217-Q220 PolarHBondContact OG-OE1 2.98Å; S217-K221 WeakPolarHBondContact O-CG 3.4Å; S217-K221 PolarHBondContact O-N 3.42Å
218G88.7Confident88.7Confident36 Ų3657 Ų5737%0.37127%0.272SS..Hα-helixtrans-60.9-33.4175.800000113.8H213 R222H213-G218 WeakPolarHBondContact CE1-CA 3.44Å; H213-G218 PolarHBondContact CE1-N 3Å; H213-G218 PolarHBondContact ND1-N 3.49Å; G218-R222 WeakPolarHBondContact O-CB 3.43Å; G218-R222 PolarHBondContact O-N 3.03Å
219E90.9Very high89.5Confident161 Ų16157.9 Ų57.975%0.75228%0.28SS*.Hα-helixtrans-66.4-48.9175.4-174.5173.9-168.700111.5S217 K221 R222 F223S217-E219 VanDerWaalsContact C-N 3.26Å; S217-E219 PolarHBondContact O-N 3.22Å; E219-K221 VanDerWaalsContact C-N 3.33Å; E219-K221 PolarHBondContact O-N 3.36Å; E219-R222 PolarHBondContact O-N 3.1Å; E219-R222 VanDerWaalsContact O-N 3.13Å; E219-F223 WeakPolarHBondContact O-CB 3.25Å; E219-F223 PolarHBondContact O-N 3.38Å
220Q91.9Very high90.1Very high71 Ų7159.4 Ų59.433%0.33230%0.298SS..Hα-helixtrans-58.4-44.4176.3-72.4161.4-33.800111.4S217 R222 F223 V224 V512S217-Q220 PolarHBondContact O-N 2.92Å; S217-Q220 WeakPolarHBondContact OG-CB 3.32Å; S217-Q220 VanDerWaalsContact OG-CG 3.25Å; S217-Q220 WeakPolarHBondContact OG-CG 3.46Å; S217-Q220 PolarHBondContact OG-N 3.25Å; S217-Q220 PolarHBondContact OG-OE1 2.98Å; Q220-R222 PolarHBondContact O-N 3.39Å; Q220-F223 PolarHBondContact O-N 3.07Å; Q220-V224 WeakPolarHBondContact O-CG2 3.47Å; Q220-V224 PolarHBondContact O-N 3.16Å; Q220-V512 HydrophobicContact CB-CG1 4.44Å; Q220-V512 HydrophobicContact CB-CG2 4.4Å; Q220-V512 HydrophobicContact CG-CG2 4Å
221K92.4Very high90.6Very high22 Ų2261.7 Ų61.710%0.09630%0.304CS..Hα-helixtrans-61.7-41.3175-69.7178.6-174.4179.10112.5E212 H213 F216 S217 E219 K225 E377 L378E212-K221 PolarHBondContact O-NZ 3.37Å; H213-K221 PolarHBondContact ND1-NZ 2.74Å; F216-K221 HydrophobicContact CB-CG 4.16Å; F216-K221 VanDerWaalsContact O-CE 3.23Å; F216-K221 WeakPolarHBondContact O-CE 3.47Å; S217-K221 WeakPolarHBondContact O-CG 3.4Å; S217-K221 PolarHBondContact O-N 3.42Å; E219-K221 VanDerWaalsContact C-N 3.33Å; E219-K221 PolarHBondContact O-N 3.36Å; K221-K225 WeakPolarHBondContact O-CG 3.4Å; K221-K225 PolarHBondContact O-N 3.27Å; K221-K225 VanDerWaalsContact O-N 3.09Å; K221-E377 WeakPolarHBondContact CE-OE1 3.41Å; K221-E377 IonicContact NZ-OE1 3.27Å; K221-E377 PolarHBondContact NZ-OE1 3.01Å; K221-L378 HydrophobicContact CG-CD1 4.1Å
222R93.5Very high91.2Very high188 Ų18857.3 Ų57.371%0.70928%0.281SS*.Hα-helixtrans-64.9-44.1176.3-175.4179.4-178.5-179.10.9111.5G218 E219 Q220 K225 I226G218-R222 WeakPolarHBondContact O-CB 3.43Å; G218-R222 PolarHBondContact O-N 3.03Å; E219-R222 PolarHBondContact O-N 3.1Å; E219-R222 VanDerWaalsContact O-N 3.13Å; Q220-R222 PolarHBondContact O-N 3.39Å; R222-K225 PolarHBondContact O-N 3.27Å; R222-I226 PolarHBondContact O-N 3.32Å
223F95Very high91.8Very high114 Ų11456.8 Ų56.850%0.529%0.285SS..Hα-helixtrans-64.8-44.6179.1-173.3-118.4000111.8E219 Q220 K225 I226 W227 M516E219-F223 WeakPolarHBondContact O-CB 3.25Å; E219-F223 PolarHBondContact O-N 3.38Å; Q220-F223 PolarHBondContact O-N 3.07Å; F223-K225 VanDerWaalsContact C-N 3.34Å; F223-K225 PolarHBondContact O-N 3.46Å; F223-I226 PolarHBondContact O-N 2.9Å; F223-I226 VanDerWaalsContact O-N 3.14Å; F223-W227 PolarHBondContact O-N 3.33Å; F223-M516 HydrophobicContact CD1-CE 4.05Å; F223-M516 HydrophobicContact CD1-SD 3.93Å; F223-M516 HydrophobicContact CE1-CE 3.36Å; F223-M516 HydrophobicContact CE1-SD 3.65Å; F223-M516 HydrophobicContact CZ-CE 4.05Å
224V95.3Very high92.5Very high0 Ų057.4 Ų57.40%029%0.29CS..Hα-helixtrans-66.3-33.1177.4174.30000112.3Q220 I226 W227 M228 L378 T379 V512 M516 I519Q220-V224 WeakPolarHBondContact O-CG2 3.47Å; Q220-V224 PolarHBondContact O-N 3.16Å; V224-I226 PolarHBondContact O-N 2.83Å; V224-W227 WeakPolarHBondContact O-CB 3.3Å; V224-W227 PolarHBondContact O-N 3.35Å; V224-M228 HydrophobicContact CG1-CE 4.33Å; V224-M228 HydrophobicContact CG1-CG 4.2Å; V224-M228 HydrophobicContact CG1-SD 4.4Å; V224-M228 WeakPolarHBondContact O-CB 3.47Å; V224-M228 VanDerWaalsContact O-CG 3.3Å; V224-M228 WeakPolarHBondContact O-CG 3.46Å; V224-M228 PolarHBondContact O-N 3.49Å; V224-L378 HydrophobicContact CB-CD1 4.06Å; V224-L378 HydrophobicContact CB-CG 4.21Å; V224-L378 HydrophobicContact CG1-CD1 4.44Å; V224-L378 HydrophobicContact CG1-CD2 4.38Å; V224-L378 HydrophobicContact CG1-CG 4.03Å; V224-L378 HydrophobicContact CG2-CD1 3.92Å; V224-L378 HydrophobicContact CG2-CD2 4.18Å; V224-L378 HydrophobicContact CG2-CG 4.17Å; V224-T379 HydrophobicContact CG1-CG2 4.16Å; V224-V512 HydrophobicContact CG2-CG1 3.82Å; V224-M516 HydrophobicContact CG2-CG 3.94Å; V224-M516 HydrophobicContact CG2-SD 4.48Å; V224-I519 HydrophobicContact CG1-CD1 3.74Å
225K95.2Very high93.6Very high78 Ų7857.1 Ų57.134%0.33929%0.289SS..Hα-helixtrans-59.7-42.7170.2-76170.9-179.1177.50112.7K221 R222 F223 M228 A229K221-K225 WeakPolarHBondContact O-CG 3.4Å; K221-K225 PolarHBondContact O-N 3.27Å; K221-K225 VanDerWaalsContact O-N 3.09Å; R222-K225 PolarHBondContact O-N 3.27Å; F223-K225 VanDerWaalsContact C-N 3.34Å; F223-K225 PolarHBondContact O-N 3.46Å; K225-M228 HydrophobicContact CG-CE 4.11Å; K225-A229 PolarHBondContact O-N 2.94Å; K225-A229 VanDerWaalsContact O-N 3.07Å
226I95.9Very high94.5Very high103 Ų10357.5 Ų57.553%0.52829%0.291SS..Hα-helixtrans-66.4-42.6175.7-62.8167.6000110.5R222 F223 V224 A229 A230R222-I226 PolarHBondContact O-N 3.32Å; F223-I226 PolarHBondContact O-N 2.9Å; F223-I226 VanDerWaalsContact O-N 3.14Å; V224-I226 PolarHBondContact O-N 2.83Å; I226-A229 PolarHBondContact O-N 3.01Å; I226-A230 PolarHBondContact O-N 3.07Å
227W97.2Very high95Very high76 Ų7663.8 Ų63.829%0.28832%0.324SS..Hα-helixtrans-59.8-48.5176.6-173.5-103.8000112.2F223 V224 A229 A230 W231 M516 A520F223-W227 PolarHBondContact O-N 3.33Å; V224-W227 WeakPolarHBondContact O-CB 3.3Å; V224-W227 PolarHBondContact O-N 3.35Å; W227-A229 PolarHBondContact O-N 3.38Å; W227-A230 PolarHBondContact O-N 3.11Å; W227-W231 AromaticContact CD1-CD1 3.97Å; W227-W231 AromaticContact CD2-CD1 3.7Å; W227-W231 AromaticContact CD2-NE1 3.63Å; W227-W231 AromaticContact CE2-CD1 3.53Å; W227-W231 AromaticContact CE2-NE1 3.19Å; W227-W231 AromaticContact CE3-NE1 3.94Å; W227-W231 HydrophobicContact CH2-CZ2 4.5Å; W227-W231 AromaticContact CH2-NE1 3.51Å; W227-W231 AromaticContact CZ2-CD1 3.99Å; W227-W231 AromaticContact CZ2-CE2 3.97Å; W227-W231 HydrophobicContact CZ2-CZ2 4.32Å; W227-W231 AromaticContact CZ2-NE1 3.15Å; W227-W231 AromaticContact CZ3-NE1 3.89Å; W227-W231 AromaticContact NE1-CD1 3.67Å; W227-W231 AromaticContact NE1-NE1 3.72Å; W227-W231 PolarHBondContact O-N 2.91Å; W227-W231 VanDerWaalsContact O-N 3.1Å; W227-M516 HydrophobicContact CB-CE 4.35Å; W227-M516 HydrophobicContact CD2-CE 3.36Å; W227-M516 HydrophobicContact CE3-CE 3.47Å; W227-M516 VanDerWaalsContact CE3-CE 3.47Å; W227-M516 HydrophobicContact CG-CE 3.79Å; W227-M516 HydrophobicContact CG-CG 4.41Å; W227-M516 HydrophobicContact CH2-CE 4.13Å; W227-M516 HydrophobicContact CZ2-CE 4.04Å; W227-M516 HydrophobicContact CZ3-CE 3.87Å; W227-M516 PolarHBondContact NE1-O 3.43Å; W227-A520 HydrophobicContact CZ2-CB 4.11Å
228M96.6Very high95.5Very high2 Ų262.8 Ų62.81%0.0132%0.318CS..Hα-helixtrans-58.2-45.9175.4-72.9-171.4-60.900111.6V224 K225 A232 Y274 T379 L381 I519V224-M228 HydrophobicContact CG1-CE 4.33Å; V224-M228 HydrophobicContact CG1-CG 4.2Å; V224-M228 HydrophobicContact CG1-SD 4.4Å; V224-M228 WeakPolarHBondContact O-CB 3.47Å; V224-M228 VanDerWaalsContact O-CG 3.3Å; V224-M228 WeakPolarHBondContact O-CG 3.46Å; V224-M228 PolarHBondContact O-N 3.49Å; K225-M228 HydrophobicContact CG-CE 4.11Å; M228-A232 WeakPolarHBondContact O-CB 3.41Å; M228-A232 PolarHBondContact O-N 3.2Å; M228-Y274 HydrophobicContact CB-CD1 4.45Å; M228-Y274 HydrophobicContact CG-CD1 4Å; M228-Y274 HydrophobicContact SD-CD1 3.89Å; M228-T379 HydrophobicContact CE-CG2 4.43Å; M228-T379 HydrophobicContact SD-CG2 3.68Å; M228-L381 HydrophobicContact SD-CD1 4.06Å; M228-I519 HydrophobicContact CG-CD1 3.76Å; M228-I519 HydrophobicContact CG-CG1 4.38Å; M228-I519 HydrophobicContact CG-CG2 4.15Å; M228-I519 HydrophobicContact SD-CD1 4.37Å
229A96.8Very high95.9Very high29 Ų2961.1 Ų61.124%0.2430%0.3CS..Hα-helixtrans-58.5-50.3177.400000111.9K225 I226 W227 W231 A232 S233 I278K225-A229 PolarHBondContact O-N 2.94Å; K225-A229 VanDerWaalsContact O-N 3.07Å; I226-A229 PolarHBondContact O-N 3.01Å; W227-A229 PolarHBondContact O-N 3.38Å; A229-W231 PolarHBondContact O-N 3.15Å; A229-A232 PolarHBondContact O-N 3.42Å; A229-S233 WeakPolarHBondContact O-CB 3.24Å; A229-S233 PolarHBondContact O-N 2.95Å; A229-S233 PolarHBondContact O-OG 3.24Å; A229-S233 VanDerWaalsContact O-OG 3.13Å; A229-I278 HydrophobicContact CB-CD1 3.86Å
230A97.4Very high96.2Very high59 Ų5954.2 Ų54.249%0.48827%0.272SS..Hα-helixtrans-59.7-49.4-177.700000112.3I226 W227 L234I226-A230 PolarHBondContact O-N 3.07Å; W227-A230 PolarHBondContact O-N 3.11Å; A230-L234 WeakPolarHBondContact O-CB 3.37Å; A230-L234 PolarHBondContact O-N 3.04Å; A230-L234 VanDerWaalsContact O-N 3.1Å
231W98.1Very high96.3Very high62 Ų6253.8 Ų53.824%0.23527%0.272CS..Hα-helixtrans-68.8-39.6178.9-77.695.1000112.4W227 A229 L234 C235 A520 M523 I527W227-W231 AromaticContact CD1-CD1 3.97Å; W227-W231 AromaticContact CD2-CD1 3.7Å; W227-W231 AromaticContact CD2-NE1 3.63Å; W227-W231 AromaticContact CE2-CD1 3.53Å; W227-W231 AromaticContact CE2-NE1 3.19Å; W227-W231 AromaticContact CE3-NE1 3.94Å; W227-W231 HydrophobicContact CH2-CZ2 4.5Å; W227-W231 AromaticContact CH2-NE1 3.51Å; W227-W231 AromaticContact CZ2-CD1 3.99Å; W227-W231 AromaticContact CZ2-CE2 3.97Å; W227-W231 HydrophobicContact CZ2-CZ2 4.32Å; W227-W231 AromaticContact CZ2-NE1 3.15Å; W227-W231 AromaticContact CZ3-NE1 3.89Å; W227-W231 AromaticContact NE1-CD1 3.67Å; W227-W231 AromaticContact NE1-NE1 3.72Å; W227-W231 PolarHBondContact O-N 2.91Å; W227-W231 VanDerWaalsContact O-N 3.1Å; A229-W231 PolarHBondContact O-N 3.15Å; W231-L234 PolarHBondContact O-N 3.39Å; W231-C235 VanDerWaalsContact O-CB 3.3Å; W231-C235 WeakPolarHBondContact O-CB 3.37Å; W231-C235 PolarHBondContact O-N 2.78Å; W231-A520 HydrophobicContact CD2-CB 3.95Å; W231-A520 HydrophobicContact CE3-CB 4.25Å; W231-A520 HydrophobicContact CH2-CB 3.98Å; W231-A520 HydrophobicContact CZ2-CB 3.63Å; W231-A520 HydrophobicContact CZ3-CB 4.26Å; W231-M523 HydrophobicContact CB-SD 3.58Å; W231-M523 VanDerWaalsContact CB-SD 3.58Å; W231-M523 HydrophobicContact CE3-CB 4.5Å; W231-I527 HydrophobicContact CE3-CD1 3.52Å; W231-I527 HydrophobicContact CZ3-CD1 3.64Å
232A97.7Very high96.3Very high0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-66.5-46179.600000111.9M228 A229 C235 L236 L275 M523M228-A232 WeakPolarHBondContact O-CB 3.41Å; M228-A232 PolarHBondContact O-N 3.2Å; A229-A232 PolarHBondContact O-N 3.42Å; A232-C235 PolarHBondContact O-N 2.93Å; A232-L236 WeakPolarHBondContact O-CB 3.39Å; A232-L236 WeakPolarHBondContact O-CG 3.45Å; A232-L236 PolarHBondContact O-N 3.21Å; A232-L275 HydrophobicContact CB-CD2 3.74Å; A232-L275 HydrophobicContact CB-CG 3.93Å; A232-M523 VanDerWaalsContact CA-SD 3.53Å; A232-M523 HydrophobicContact CB-CE 4.03Å; A232-M523 HydrophobicContact CB-SD 4.16Å; A232-M523 PolarHBondContact N-SD 3.4Å
233S97.2Very high96.4Very high53 Ų5345 Ų4537%0.37124%0.24SC..Hα-helixtrans-62.2-42.6175.4-64.80000112A229 C235 L236 L237A229-S233 WeakPolarHBondContact O-CB 3.24Å; A229-S233 PolarHBondContact O-N 2.95Å; A229-S233 PolarHBondContact O-OG 3.24Å; A229-S233 VanDerWaalsContact O-OG 3.13Å; S233-C235 VanDerWaalsContact C-N 3.34Å; S233-C235 PolarHBondContact O-N 3.43Å; S233-L236 PolarHBondContact O-N 3.48Å; S233-L237 VanDerWaalsContact O-CG 3.28Å; S233-L237 WeakPolarHBondContact O-CG 3.4Å; S233-L237 PolarHBondContact O-N 2.89Å
234L97.3Very high96.3Very high90 Ų9042.1 Ų42.147%0.47123%0.232SC..Hα-helixtrans-62.1-42.1175.6-178.858.5000111.7A230 W231 A238 I527A230-L234 WeakPolarHBondContact O-CB 3.37Å; A230-L234 PolarHBondContact O-N 3.04Å; A230-L234 VanDerWaalsContact O-N 3.1Å; W231-L234 PolarHBondContact O-N 3.39Å; L234-A238 VanDerWaalsContact O-CB 3.24Å; L234-A238 WeakPolarHBondContact O-CB 3.23Å; L234-A238 PolarHBondContact O-N 3.38Å; L234-I527 HydrophobicContact CB-CD1 4.35Å; L234-I527 HydrophobicContact CD2-CD1 3.8Å; L234-I527 HydrophobicContact CD2-CG1 4.48Å; L234-I527 HydrophobicContact CD2-CG2 4.47Å; L234-I527 HydrophobicContact CG-CD1 3.84Å; L234-I527 HydrophobicContact CG-CG1 4.07Å; L234-I527 HydrophobicContact CG-CG2 4.35Å
235C98.1Very high96.2Very high0 Ų042.1 Ų42.10%023%0.232CC..Hα-helixtrans-64.3-46.2175.9-172.60000112.3W231 A232 S233 L237 A238 T239 M523 I527W231-C235 VanDerWaalsContact O-CB 3.3Å; W231-C235 WeakPolarHBondContact O-CB 3.37Å; W231-C235 PolarHBondContact O-N 2.78Å; A232-C235 PolarHBondContact O-N 2.93Å; S233-C235 VanDerWaalsContact C-N 3.34Å; S233-C235 PolarHBondContact O-N 3.43Å; C235-L237 PolarHBondContact O-N 2.92Å; C235-A238 PolarHBondContact O-N 3.24Å; C235-T239 WeakPolarHBondContact O-CB 3.43Å; C235-T239 WeakPolarHBondContact O-CG2 3.4Å; C235-T239 PolarHBondContact O-N 3.07Å; C235-T239 PolarHBondContact O-OG1 3.24Å; C235-M523 HydrophobicContact CB-CB 4.11Å; C235-M523 HydrophobicContact CB-CG 4.46Å; C235-M523 HydrophobicContact CB-SD 4.34Å; C235-I527 HydrophobicContact CB-CG1 4.05Å
236L97.1Very high96Very high33 Ų3340.4 Ų40.417%0.17322%0.224CC..Hα-helixtrans-59.1-45.4176.9-77.6172.7000112.5A232 S233 T239 G240 F268 S271 I272 L275A232-L236 WeakPolarHBondContact O-CB 3.39Å; A232-L236 WeakPolarHBondContact O-CG 3.45Å; A232-L236 PolarHBondContact O-N 3.21Å; S233-L236 PolarHBondContact O-N 3.48Å; L236-T239 PolarHBondContact O-OG1 3.4Å; L236-G240 WeakPolarHBondContact O-CA 3.28Å; L236-G240 PolarHBondContact O-N 3.25Å; L236-F268 HydrophobicContact CD2-CD1 4.43Å; L236-F268 HydrophobicContact CD2-CD2 3.75Å; L236-F268 HydrophobicContact CD2-CE1 4.43Å; L236-F268 HydrophobicContact CD2-CE2 3.75Å; L236-F268 HydrophobicContact CD2-CG 4.1Å; L236-F268 HydrophobicContact CD2-CZ 4.1Å; L236-F268 WeakPolarHBondContact CD2-O 3.32Å; L236-S271 WeakPolarHBondContact CD2-OG 3.37Å; L236-S271 VanDerWaalsContact CG-OG 3.29Å; L236-S271 WeakPolarHBondContact CG-OG 3.41Å; L236-I272 HydrophobicContact CD2-CG1 3.84Å; L236-L275 HydrophobicContact CD1-CD1 3.48Å; L236-L275 VanDerWaalsContact CD1-CD1 3.48Å
237L96.6Very high95.8Very high132 Ų13240.9 Ų40.969%0.69123%0.227SC*.Hα-helixtrans-66.7-44.3179.3-68.1171.1000111.5S233 C235 L241S233-L237 VanDerWaalsContact O-CG 3.28Å; S233-L237 WeakPolarHBondContact O-CG 3.4Å; S233-L237 PolarHBondContact O-N 2.89Å; C235-L237 PolarHBondContact O-N 2.92Å; L237-L241 WeakPolarHBondContact O-CB 3.46Å; L237-L241 PolarHBondContact O-N 3.23Å
238A96.8Very high95.5Very high10 Ų1040 Ų408%0.08323%0.228CC..Hα-helixtrans-67.2-43.9-179.900000113.1L234 C235 T242 I527 C530L234-A238 VanDerWaalsContact O-CB 3.24Å; L234-A238 WeakPolarHBondContact O-CB 3.23Å; L234-A238 PolarHBondContact O-N 3.38Å; C235-A238 PolarHBondContact O-N 3.24Å; A238-T242 PolarHBondContact O-N 2.95Å; A238-T242 PolarHBondContact O-OG1 2.94Å; A238-I527 HydrophobicContact CB-CG2 4.48Å; A238-C530 HydrophobicContact CB-CB 3.93Å; A238-C530 WeakPolarHBondContact O-CB 3.31Å
239T97.4Very high95.1Very high0 Ų042.2 Ų42.20%024%0.24CC..Hα-helixtrans-71.9-41.5176.1540000111.2C235 L236 L241 T242 L243 A264 H267 F268 G526C235-T239 WeakPolarHBondContact O-CB 3.43Å; C235-T239 WeakPolarHBondContact O-CG2 3.4Å; C235-T239 PolarHBondContact O-N 3.07Å; C235-T239 PolarHBondContact O-OG1 3.24Å; L236-T239 PolarHBondContact O-OG1 3.4Å; T239-L241 PolarHBondContact O-N 3.15Å; T239-T242 WeakPolarHBondContact O-CA 3.33Å; T239-T242 VanDerWaalsContact O-CB 3.29Å; T239-T242 WeakPolarHBondContact O-CB 3.27Å; T239-T242 PolarHBondContact O-N 3.26Å; T239-L243 WeakPolarHBondContact O-CG 3.39Å; T239-L243 PolarHBondContact O-N 2.88Å; T239-A264 WeakPolarHBondContact CB-O 3.47Å; T239-A264 HydrophobicContact CG2-CB 4.35Å; T239-A264 WeakPolarHBondContact CG2-O 3.4Å; T239-H267 HydrophobicContact CG2-CB 3.84Å; T239-F268 WeakPolarHBondContact OG1-CA 3.46Å; T239-F268 WeakPolarHBondContact OG1-CB 3.13Å; T239-F268 WeakPolarHBondContact OG1-CD2 3.28Å; T239-G526 VanDerWaalsContact CG2-O 3.31Å; T239-G526 WeakPolarHBondContact CG2-O 3.5Å
240G96.1Very high94.7Very high16 Ų1642.5 Ų42.517%0.16525%0.246CC..Hα-helixtrans-57-47.1174.600000112.9L236 T242 L243 V244L236-G240 WeakPolarHBondContact O-CA 3.28Å; L236-G240 PolarHBondContact O-N 3.25Å; G240-T242 PolarHBondContact O-N 3.37Å; G240-L243 PolarHBondContact O-N 3.32Å; G240-V244 WeakPolarHBondContact O-CG2 3.26Å; G240-V244 PolarHBondContact O-N 3.16Å
241L93.8Very high94.1Very high62 Ų6249.3 Ų49.333%0.32526%0.26SS..Hα-helixtrans-56.6-39.1173.3-178.869000112L237 T239 T245 V533 W542L237-L241 WeakPolarHBondContact O-CB 3.46Å; L237-L241 PolarHBondContact O-N 3.23Å; T239-L241 PolarHBondContact O-N 3.15Å; L241-T245 WeakPolarHBondContact O-CB 3.46Å; L241-T245 PolarHBondContact O-N 3.13Å; L241-T245 VanDerWaalsContact O-N 3.08Å; L241-T245 PolarHBondContact O-OG1 2.9Å; L241-V533 HydrophobicContact CD2-CG2 4.08Å; L241-V533 HydrophobicContact CG-CG2 4.01Å; L241-W542 HydrophobicContact CD1-CH2 4.11Å; L241-W542 HydrophobicContact CD1-CZ2 3.61Å
242T94Very high93.5Very high0 Ų048.3 Ų48.30%026%0.256CS..Hα-helixtrans-67.9-46178.4-55.20000111.6A238 T239 G240 T245 F246 A264 C530 V533A238-T242 PolarHBondContact O-N 2.95Å; A238-T242 PolarHBondContact O-OG1 2.94Å; T239-T242 WeakPolarHBondContact O-CA 3.33Å; T239-T242 VanDerWaalsContact O-CB 3.29Å; T239-T242 WeakPolarHBondContact O-CB 3.27Å; T239-T242 PolarHBondContact O-N 3.26Å; G240-T242 PolarHBondContact O-N 3.37Å; T242-T245 PolarHBondContact O-N 2.97Å; T242-F246 PolarHBondContact O-N 3.33Å; T242-A264 HydrophobicContact CG2-CB 3.96Å; T242-C530 WeakPolarHBondContact OG1-CA 3.38Å; T242-V533 HydrophobicContact CG2-CG1 4.29Å
243L95.3Very high93.1Very high25 Ų2548.5 Ų48.513%0.13126%0.257CS..Hα-helixtrans-66.5-46.7179.4-66.9169.1000112T239 G240 T245 F246 L247 V261 A264 L265 F268T239-L243 WeakPolarHBondContact O-CG 3.39Å; T239-L243 PolarHBondContact O-N 2.88Å; G240-L243 PolarHBondContact O-N 3.32Å; L243-T245 VanDerWaalsContact C-N 3.34Å; L243-T245 PolarHBondContact O-N 2.98Å; L243-F246 WeakPolarHBondContact O-CB 3.25Å; L243-F246 PolarHBondContact O-N 2.83Å; L243-F246 VanDerWaalsContact O-N 3.14Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.22Å; L243-V261 HydrophobicContact CD2-CG1 4.17Å; L243-A264 HydrophobicContact CD2-CB 4.48Å; L243-L265 HydrophobicContact CD1-CD1 4.16Å; L243-L265 HydrophobicContact CD2-CB 3.88Å; L243-L265 HydrophobicContact CD2-CD1 4.33Å; L243-F268 HydrophobicContact CD1-CB 3.88Å; L243-F268 HydrophobicContact CD1-CD2 4.14Å; L243-F268 HydrophobicContact CD1-CG 3.97Å
244V92.9Very high92.8Very high55 Ų5547 Ų4733%0.33325%0.248SC..Hα-helixtrans-63.6-41.2177177.40000110.7G240 F246 L247 L248 W542G240-V244 WeakPolarHBondContact O-CG2 3.26Å; G240-V244 PolarHBondContact O-N 3.16Å; V244-F246 VanDerWaalsContact C-N 3.27Å; V244-F246 PolarHBondContact O-N 2.82Å; V244-L247 PolarHBondContact O-N 3.48Å; V244-L247 VanDerWaalsContact O-N 3.11Å; V244-L248 HydrophobicContact CG1-CD1 4.14Å; V244-L248 HydrophobicContact CG1-CG 4.31Å; V244-L248 WeakPolarHBondContact O-CG 3.48Å; V244-L248 PolarHBondContact O-N 3.14Å; V244-W542 HydrophobicContact CB-CH2 3.83Å; V244-W542 HydrophobicContact CB-CZ2 3.78Å; V244-W542 HydrophobicContact CG1-CH2 3.39Å; V244-W542 HydrophobicContact CG1-CZ2 3.53Å; V244-W542 HydrophobicContact CG1-CZ3 4.26Å
245T92.5Very high92.6Very high0 Ų042.9 Ų42.90%023%0.227CC..Hα-helixtrans-61.4-36.1174.7-56.80000112.2L241 T242 L243 L248 D249 V533 T538 W542L241-T245 WeakPolarHBondContact O-CB 3.46Å; L241-T245 PolarHBondContact O-N 3.13Å; L241-T245 VanDerWaalsContact O-N 3.08Å; L241-T245 PolarHBondContact O-OG1 2.9Å; T242-T245 PolarHBondContact O-N 2.97Å; L243-T245 VanDerWaalsContact C-N 3.34Å; L243-T245 PolarHBondContact O-N 2.98Å; T245-L248 PolarHBondContact O-N 3.46Å; T245-D249 PolarHBondContact O-N 3.39Å; T245-V533 HydrophobicContact CG2-CB 4.12Å; T245-V533 HydrophobicContact CG2-CG1 3.59Å; T245-T538 HydrophobicContact CG2-CG2 3.94Å; T245-W542 PolarHBondContact OG1-NE1 2.04Å
246F92Very high92.4Very high41 Ų4143.1 Ų43.118%0.1823%0.228CC..Hα-helixtrans-67.4-38.3173.2168.2-101.2000112.6T242 L243 V244 L248 D249 G250 F253 V261T242-F246 PolarHBondContact O-N 3.33Å; L243-F246 WeakPolarHBondContact O-CB 3.25Å; L243-F246 PolarHBondContact O-N 2.83Å; L243-F246 VanDerWaalsContact O-N 3.14Å; V244-F246 VanDerWaalsContact C-N 3.27Å; V244-F246 PolarHBondContact O-N 2.82Å; F246-L248 VanDerWaalsContact C-N 3.33Å; F246-D249 CarbonylContact O-C 3.47Å; F246-D249 VanDerWaalsContact O-C 3.3Å; F246-D249 PolarHBondContact O-N 3.08Å; F246-G250 WeakPolarHBondContact O-CA 3.27Å; F246-G250 PolarHBondContact O-N 3.28Å; F246-F253 HydrophobicContact CB-CD2 4.12Å; F246-F253 HydrophobicContact CB-CE2 4.16Å; F246-F253 HydrophobicContact CD2-CB 3.82Å; F246-F253 AromaticContact CD2-CD2 3.8Å; F246-F253 HydrophobicContact CD2-CD2 3.8Å; F246-F253 HydrophobicContact CD2-CG 4.02Å; F246-F253 HydrophobicContact CE2-CB 4.14Å; F246-F253 HydrophobicContact CG-CD2 4.47Å; F246-V261 HydrophobicContact CB-CG1 3.86Å; F246-V261 HydrophobicContact CB-CG2 4.24Å; F246-V261 HydrophobicContact CD1-CG1 3.63Å; F246-V261 HydrophobicContact CD2-CB 4.44Å; F246-V261 HydrophobicContact CD2-CG1 3.93Å; F246-V261 HydrophobicContact CD2-CG2 3.83Å; F246-V261 HydrophobicContact CE1-CG1 4.13Å; F246-V261 HydrophobicContact CE2-CG1 4.41Å; F246-V261 HydrophobicContact CE2-CG2 4.45Å; F246-V261 HydrophobicContact CG-CB 4.43Å; F246-V261 HydrophobicContact CG-CG1 3.51Å; F246-V261 HydrophobicContact CG-CG2 4.09Å; F246-V261 HydrophobicContact CZ-CG1 4.5Å
247L91.8Very high92.2Very high113 Ų11343.8 Ų43.859%0.59223%0.23SC*.Hα-helixtrans-66.2-34.8175.4-67.3173.5000112.2L2 L243 V244L2-L247 HydrophobicContact CD1-CD2 4.05Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 3.22Å; V244-L247 PolarHBondContact O-N 3.48Å; V244-L247 VanDerWaalsContact O-N 3.11Å
248L90.3Very high92.1Very high58 Ų5841.1 Ų41.130%0.30421%0.21SC..Hα-helixtrans-76.9-31.6176.4-64.8177.5000113.7V244 T245 F246 T541 W542 F545V244-L248 HydrophobicContact CG1-CD1 4.14Å; V244-L248 HydrophobicContact CG1-CG 4.31Å; V244-L248 WeakPolarHBondContact O-CG 3.48Å; V244-L248 PolarHBondContact O-N 3.14Å; T245-L248 PolarHBondContact O-N 3.46Å; F246-L248 VanDerWaalsContact C-N 3.33Å; L248-T541 HydrophobicContact CB-CG2 3.84Å; L248-T541 HydrophobicContact CD1-CG2 4.42Å; L248-W542 HydrophobicContact CD1-CD2 4.27Å; L248-F545 HydrophobicContact CD1-CB 4.05Å; L248-F545 HydrophobicContact CD1-CD1 4.26Å; L248-F545 HydrophobicContact CD1-CG 4.04Å; L248-F545 HydrophobicContact CD2-CB 4.12Å; L248-F545 HydrophobicContact CD2-CD1 4.32Å; L248-F545 HydrophobicContact CD2-CD2 3.34Å; L248-F545 HydrophobicContact CD2-CE2 3.75Å; L248-F545 HydrophobicContact CD2-CG 3.66Å; L248-F545 HydrophobicContact CD2-CZ 4.4Å
249D88.1Confident92.1Very high48 Ų4840.6 Ų40.626%0.25721%0.206SC..  trans-146.679.3-178.6-178.2-1.3000110.3T245 F246 R252 T541T245-D249 PolarHBondContact O-N 3.39Å; F246-D249 CarbonylContact O-C 3.47Å; F246-D249 VanDerWaalsContact O-C 3.3Å; F246-D249 PolarHBondContact O-N 3.08Å; D249-R252 HydrophobicContact CB-CB 4.29Å; D249-R252 WeakPolarHBondContact O-CB 3.34Å; D249-R252 VanDerWaalsContact OD1-CB 3.3Å; D249-R252 WeakPolarHBondContact OD1-CB 3.43Å; D249-R252 PolarHBondContact OD1-N 2.94Å; D249-R252 WeakPolarHBondContact OD2-CB 3.44Å; D249-T541 HydrophobicContact CB-CG2 4.33Å
250G87.2Confident92Very high35 Ų3540.6 Ų40.636%0.36121%0.206SC..SBendtrans-70.5-30.7-179.200000113.5F246 R252 F253F246-G250 WeakPolarHBondContact O-CA 3.27Å; F246-G250 PolarHBondContact O-N 3.28Å; G250-R252 VanDerWaalsContact C-N 3.27Å; G250-R252 PolarHBondContact O-N 3.04Å; G250-F253 PolarHBondContact O-N 3.05Å
251Y86.3Confident92Very high203 Ų20340 Ų4080%0.79620%0.199SC*.G310 helixtrans-63.4-34.6179.4-177.6-99000111.7F253 A254Y251-F253 PolarHBondContact O-N 2.78Å; Y251-A254 PolarHBondContact O-N 3.28Å
252R85.9Confident92.2Very high41 Ų4137.5 Ų37.516%0.15519%0.186CC..G310 helixtrans-55.1-16.8171172179175.1152.32.9114.4D249 G250 K257 W532 S535 T538D249-R252 HydrophobicContact CB-CB 4.29Å; D249-R252 WeakPolarHBondContact O-CB 3.34Å; D249-R252 VanDerWaalsContact OD1-CB 3.3Å; D249-R252 WeakPolarHBondContact OD1-CB 3.43Å; D249-R252 PolarHBondContact OD1-N 2.94Å; D249-R252 WeakPolarHBondContact OD2-CB 3.44Å; G250-R252 VanDerWaalsContact C-N 3.27Å; G250-R252 PolarHBondContact O-N 3.04Å; R252-K257 WeakPolarHBondContact O-CE 3.48Å; R252-K257 PolarHBondContact O-NZ 3.43Å; R252-W532 PolarHBondContact NH2-O 3.31Å; R252-S535 PolarHBondContact NH1-OG 3.13Å; R252-S535 PolarHBondContact NH2-OG 3.27Å; R252-T538 VanDerWaalsContact CZ-OG1 3.3Å; R252-T538 PolarHBondContact NH1-OG1 3.39Å; R252-T538 PolarHBondContact NH2-OG1 3.2Å; R252-T538 VanDerWaalsContact NH2-OG1 3.1Å
253F87.9Confident92.3Very high3 Ų337.5 Ų37.51%0.01319%0.186CC..G310 helixtrans-113.739.6178.3-66.6-89.6000113.9F246 G250 Y251 R258 V261 W532 V533F246-F253 HydrophobicContact CB-CD2 4.12Å; F246-F253 HydrophobicContact CB-CE2 4.16Å; F246-F253 HydrophobicContact CD2-CB 3.82Å; F246-F253 AromaticContact CD2-CD2 3.8Å; F246-F253 HydrophobicContact CD2-CD2 3.8Å; F246-F253 HydrophobicContact CD2-CG 4.02Å; F246-F253 HydrophobicContact CE2-CB 4.14Å; F246-F253 HydrophobicContact CG-CD2 4.47Å; G250-F253 PolarHBondContact O-N 3.05Å; Y251-F253 PolarHBondContact O-N 2.78Å; F253-R258 WeakPolarHBondContact O-CA 3.23Å; F253-R258 WeakPolarHBondContact O-CB 3.31Å; F253-R258 VanDerWaalsContact O-CG 3.23Å; F253-R258 WeakPolarHBondContact O-CG 3.36Å; F253-V261 HydrophobicContact CB-CG2 3.86Å; F253-V261 HydrophobicContact CD1-CG2 3.4Å; F253-V261 HydrophobicContact CD2-CG2 4.28Å; F253-V261 HydrophobicContact CE1-CG2 3.91Å; F253-V261 HydrophobicContact CG-CG2 3.59Å; F253-W532 HydrophobicContact CE1-CB 4.4Å; F253-V533 HydrophobicContact CE2-CG1 4.41Å; F253-V533 HydrophobicContact CZ-CG1 3.7Å
254A91.6Very high92.4Very high23 Ų2336.3 Ų36.319%0.1918%0.18CC..  trans-54.3159.5165.500000113.4Y251 K257 R258Y251-A254 PolarHBondContact O-N 3.28Å; A254-K257 WeakPolarHBondContact O-CG 3.43Å; A254-K257 PolarHBondContact O-N 3.28Å; A254-R258 PolarHBondContact O-N 2.77Å
255Y93.6Very high92.6Very high3 Ų334.6 Ų34.61%0.01217%0.168CC..THydrogen-bonded Turntrans-62.4148.2172.8-77-80.2000111.1R258 P259 T331 Q342 I345 A346 S349 F352Y255-R258 HydrophobicContact CD1-CB 4.02Å; Y255-R258 HydrophobicContact CD2-CB 4.33Å; Y255-R258 HydrophobicContact CE1-CB 4Å; Y255-R258 HydrophobicContact CE2-CB 4.32Å; Y255-R258 HydrophobicContact CG-CB 4.18Å; Y255-P259 HydrophobicContact CE1-CG 4.2Å; Y255-T331 HydrophobicContact CD1-CG2 4.37Å; Y255-Q342 VanDerWaalsContact O-CG 3.22Å; Y255-Q342 WeakPolarHBondContact O-CG 3.25Å; Y255-I345 HydrophobicContact CD1-CG2 3.65Å; Y255-I345 HydrophobicContact CD2-CG2 4.45Å; Y255-I345 HydrophobicContact CE1-CG2 4.4Å; Y255-I345 HydrophobicContact CG-CB 4.43Å; Y255-I345 HydrophobicContact CG-CG2 3.68Å; Y255-A346 HydrophobicContact CD2-CB 3.96Å; Y255-A346 HydrophobicContact CE2-CB 4.46Å; Y255-S349 WeakPolarHBondContact OH-CB 3.37Å; Y255-F352 HydrophobicContact CE1-CD2 4.04Å; Y255-F352 HydrophobicContact CE1-CE2 4.31Å
256P93Very high92.9Very high4 Ų434.6 Ų34.63%0.02617%0.168CC..THydrogen-bonded Turncis-87.20.96.334.4-36.6000115.6P259 L328 A335 I345 I444P256-P259 VanDerWaalsContact O-CD 3.22Å; P256-P259 WeakPolarHBondContact O-CD 3.46Å; P256-L328 WeakPolarHBondContact O-CD1 3.28Å; P256-A335 HydrophobicContact CG-CB 4.16Å; P256-I345 HydrophobicContact CB-CD1 4.41Å; P256-I444 HydrophobicContact CB-CD1 4.37Å; P256-I444 HydrophobicContact CG-CD1 3.82Å
257K92.9Very high93.2Very high48 Ų4833.3 Ų33.321%0.20916%0.163CC..THydrogen-bonded Turntrans-81.1-14.2-178.154179.1160.9177.40114.7R252 A254 V260 L440 W532R252-K257 WeakPolarHBondContact O-CE 3.48Å; R252-K257 PolarHBondContact O-NZ 3.43Å; A254-K257 WeakPolarHBondContact O-CG 3.43Å; A254-K257 PolarHBondContact O-N 3.28Å; K257-V260 WeakPolarHBondContact O-CB 3.2Å; K257-V260 WeakPolarHBondContact O-CG2 3.18Å; K257-V260 PolarHBondContact O-N 2.95Å; K257-V260 VanDerWaalsContact O-N 3.12Å; K257-L440 HydrophobicContact CB-CD1 4.37Å; K257-L440 HydrophobicContact CD-CD1 4.25Å; K257-W532 HydrophobicContact CB-CE3 4.42Å; K257-W532 HydrophobicContact CB-CZ3 3.92Å
258R94.8Very high93.4Very high75 Ų7531 Ų3128%0.28315%0.148SC..THydrogen-bonded Turntrans-49.4-41-179.2-159.9170.1173.9153.4-6.1115.4F253 A254 Y255 V260 V261 F262F253-R258 WeakPolarHBondContact O-CA 3.23Å; F253-R258 WeakPolarHBondContact O-CB 3.31Å; F253-R258 VanDerWaalsContact O-CG 3.23Å; F253-R258 WeakPolarHBondContact O-CG 3.36Å; A254-R258 PolarHBondContact O-N 2.77Å; Y255-R258 HydrophobicContact CD1-CB 4.02Å; Y255-R258 HydrophobicContact CD2-CB 4.33Å; Y255-R258 HydrophobicContact CE1-CB 4Å; Y255-R258 HydrophobicContact CE2-CB 4.32Å; Y255-R258 HydrophobicContact CG-CB 4.18Å; R258-V260 PolarHBondContact O-N 3.32Å; R258-V260 VanDerWaalsContact O-N 3.11Å; R258-V261 WeakPolarHBondContact O-CB 3.27Å; R258-V261 PolarHBondContact O-N 3.02Å; R258-V261 VanDerWaalsContact O-N 3.07Å; R258-F262 HydrophobicContact CG-CE2 3.95Å
259P96.4Very high93.8Very high0 Ų029.7 Ų29.70%014%0.141CC..Hα-helixtrans-54.6-29.2178.3-30.339.5000114.9Y255 P256 V261 F262 I263 W324 I327 L328Y255-P259 HydrophobicContact CE1-CG 4.2Å; P256-P259 VanDerWaalsContact O-CD 3.22Å; P256-P259 WeakPolarHBondContact O-CD 3.46Å; P259-V261 PolarHBondContact O-N 2.96Å; P259-F262 PolarHBondContact O-N 2.96Å; P259-I263 WeakPolarHBondContact O-CG1 3.18Å; P259-I263 PolarHBondContact O-N 3.22Å; P259-W324 HydrophobicContact CB-CE3 3.99Å; P259-W324 HydrophobicContact CG-CE3 4.43Å; P259-I327 HydrophobicContact CG-CG2 3.94Å; P259-L328 HydrophobicContact CB-CB 3.91Å; P259-L328 HydrophobicContact CB-CD1 4.22Å; P259-L328 HydrophobicContact CG-CB 4.38Å; P259-L328 HydrophobicContact CG-CD1 4.35Å
260V95.8Very high94.2Very high0 Ų028.3 Ų28.30%013%0.132CC..Hα-helixtrans-58.8-34.1178.1179.60000112K257 R258 F262 I263 A264 L328 F447 W532K257-V260 WeakPolarHBondContact O-CB 3.2Å; K257-V260 WeakPolarHBondContact O-CG2 3.18Å; K257-V260 PolarHBondContact O-N 2.95Å; K257-V260 VanDerWaalsContact O-N 3.12Å; R258-V260 PolarHBondContact O-N 3.32Å; R258-V260 VanDerWaalsContact O-N 3.11Å; V260-F262 VanDerWaalsContact C-N 3.34Å; V260-I263 PolarHBondContact O-N 2.93Å; V260-A264 PolarHBondContact O-N 2.96Å; V260-L328 HydrophobicContact CG2-CD1 4.15Å; V260-L328 HydrophobicContact CG2-CD2 3.95Å; V260-F447 HydrophobicContact CG1-CZ 4.31Å; V260-F447 HydrophobicContact CG2-CD1 4.44Å; V260-F447 HydrophobicContact CG2-CE1 4.25Å; V260-W532 HydrophobicContact CG1-CB 4.4Å; V260-W532 HydrophobicContact CG1-CD2 3.97Å; V260-W532 HydrophobicContact CG1-CG 3.72Å; V260-W532 HydrophobicContact CG2-CD2 4.19Å; V260-W532 HydrophobicContact CG2-CH2 4.33Å; V260-W532 HydrophobicContact CG2-CZ2 3.93Å
261V96Very high94.7Very high2 Ų226.6 Ų26.61%0.01212%0.115CC..Hα-helixtrans-66.5-38.7177.1-178.60000111L243 F246 F253 R258 P259 A264 L265L243-V261 HydrophobicContact CD2-CG1 4.17Å; F246-V261 HydrophobicContact CB-CG1 3.86Å; F246-V261 HydrophobicContact CB-CG2 4.24Å; F246-V261 HydrophobicContact CD1-CG1 3.63Å; F246-V261 HydrophobicContact CD2-CB 4.44Å; F246-V261 HydrophobicContact CD2-CG1 3.93Å; F246-V261 HydrophobicContact CD2-CG2 3.83Å; F246-V261 HydrophobicContact CE1-CG1 4.13Å; F246-V261 HydrophobicContact CE2-CG1 4.41Å; F246-V261 HydrophobicContact CE2-CG2 4.45Å; F246-V261 HydrophobicContact CG-CB 4.43Å; F246-V261 HydrophobicContact CG-CG1 3.51Å; F246-V261 HydrophobicContact CG-CG2 4.09Å; F246-V261 HydrophobicContact CZ-CG1 4.5Å; F253-V261 HydrophobicContact CB-CG2 3.86Å; F253-V261 HydrophobicContact CD1-CG2 3.4Å; F253-V261 HydrophobicContact CD2-CG2 4.28Å; F253-V261 HydrophobicContact CE1-CG2 3.91Å; F253-V261 HydrophobicContact CG-CG2 3.59Å; R258-V261 WeakPolarHBondContact O-CB 3.27Å; R258-V261 PolarHBondContact O-N 3.02Å; R258-V261 VanDerWaalsContact O-N 3.07Å; P259-V261 PolarHBondContact O-N 2.96Å; V261-A264 PolarHBondContact O-N 3.37Å; V261-L265 PolarHBondContact O-N 3.04Å
262F97Very high95.1Very high11 Ų1119.3 Ų19.35%0.0489%0.089CC..Hα-helixtrans-75.7-33.2178-56.4-59.5000112M1 R258 P259 V260 A264 L265 C266 W324 H353 W357M1-F262 HydrophobicContact CE-CE1 3.69Å; M1-F262 HydrophobicContact CE-CZ 3.78Å; R258-F262 HydrophobicContact CG-CE2 3.95Å; P259-F262 PolarHBondContact O-N 2.96Å; V260-F262 VanDerWaalsContact C-N 3.34Å; F262-A264 VanDerWaalsContact C-N 3.32Å; F262-A264 PolarHBondContact O-N 3.31Å; F262-L265 WeakPolarHBondContact O-CB 3.22Å; F262-L265 PolarHBondContact O-N 3.47Å; F262-C266 PolarHBondContact O-N 3.09Å; F262-C266 PolarHBondContact O-SG 2.82Å; F262-W324 HydrophobicContact CB-CD2 3.54Å; F262-W324 VanDerWaalsContact CB-CE2 3.49Å; F262-W324 HydrophobicContact CB-CE3 4.16Å; F262-W324 HydrophobicContact CB-CG 3.73Å; F262-W324 HydrophobicContact CB-CZ2 4.14Å; F262-W324 HydrophobicContact CD2-CD2 4.07Å; F262-W324 AromaticContact CD2-CE3 3.88Å; F262-W324 HydrophobicContact CD2-CE3 3.88Å; F262-W324 AromaticContact CD2-CH2 3.73Å; F262-W324 HydrophobicContact CD2-CH2 3.73Å; F262-W324 AromaticContact CD2-CZ2 3.86Å; F262-W324 HydrophobicContact CD2-CZ2 3.86Å; F262-W324 AromaticContact CD2-CZ3 3.71Å; F262-W324 HydrophobicContact CD2-CZ3 3.71Å; F262-W324 HydrophobicContact CE2-CH2 4.15Å; F262-W324 HydrophobicContact CE2-CZ3 4.3Å; F262-W324 HydrophobicContact CG-CD2 4.12Å; F262-W324 AromaticContact CG-CE2 3.84Å; F262-W324 HydrophobicContact CG-CE3 4.41Å; F262-W324 HydrophobicContact CG-CH2 4.32Å; F262-W324 AromaticContact CG-CZ2 3.96Å; F262-W324 HydrophobicContact CG-CZ2 3.96Å; F262-W324 HydrophobicContact CG-CZ3 4.5Å; F262-H353 AromaticContact CD2-CE1 3.98Å; F262-H353 AromaticContact CE1-CE1 3.94Å; F262-H353 AromaticContact CE2-CE1 3.39Å; F262-H353 WeakPolarHBondContact CE2-CE1 3.22Å; F262-H353 AromaticContact CE2-NE2 3.85Å; F262-H353 AromaticContact CZ-CE1 3.38Å; F262-H353 WeakPolarHBondContact CZ-CE1 3.44Å; F262-H353 AromaticContact CZ-NE2 3.82Å; F262-W357 HydrophobicContact CD1-CZ2 4.29Å
263I97.6Very high95.6Very high0 Ų017.4 Ų17.40%08%0.082CC..Hα-helixtrans-59.1-44167.2-66.3171.3000110.5P259 V260 C266 H267 W324 W325 L328 F447 Y451 V525P259-I263 WeakPolarHBondContact O-CG1 3.18Å; P259-I263 PolarHBondContact O-N 3.22Å; V260-I263 PolarHBondContact O-N 2.93Å; I263-C266 PolarHBondContact O-N 3.32Å; I263-H267 PolarHBondContact O-N 3.35Å; I263-H267 PolarHBondContact O-ND1 3.15Å; I263-W324 HydrophobicContact CD1-CB 4.41Å; I263-W324 HydrophobicContact CG1-CB 3.66Å; I263-W325 HydrophobicContact CD1-CB 4.15Å; I263-L328 HydrophobicContact CD1-CD2 4.23Å; I263-F447 HydrophobicContact CD1-CE1 4.02Å; I263-F447 HydrophobicContact CG2-CZ 4.31Å; I263-Y451 HydrophobicContact CD1-CE2 4.4Å; I263-Y451 HydrophobicContact CG2-CD2 4.47Å; I263-Y451 HydrophobicContact CG2-CE2 4.1Å; I263-V525 HydrophobicContact CG2-CG1 3.65Å
264A97.3Very high96Very high0 Ų017.3 Ų17.30%08%0.082CC..Hα-helixtrans-63.9-39.4175.400000112.2T239 T242 L243 V260 V261 F262 H267 F268T239-A264 WeakPolarHBondContact CB-O 3.47Å; T239-A264 HydrophobicContact CG2-CB 4.35Å; T239-A264 WeakPolarHBondContact CG2-O 3.4Å; T242-A264 HydrophobicContact CG2-CB 3.96Å; L243-A264 HydrophobicContact CD2-CB 4.48Å; V260-A264 PolarHBondContact O-N 2.96Å; V261-A264 PolarHBondContact O-N 3.37Å; F262-A264 VanDerWaalsContact C-N 3.32Å; F262-A264 PolarHBondContact O-N 3.31Å; A264-H267 PolarHBondContact O-N 3.27Å; A264-F268 WeakPolarHBondContact O-CB 3.47Å; A264-F268 PolarHBondContact O-N 3.24Å
265L97Very high96.2Very high19 Ų1917.7 Ų17.710%0.0998%0.08CC..Hα-helixtrans-62-44.7174.6-177.860.5000112.1L2 M5 L243 V261 F262 F268 M269 W357L2-L265 HydrophobicContact CD2-CD1 4.08Å; L2-L265 HydrophobicContact CD2-CD2 4.19Å; M5-L265 HydrophobicContact CG-CD2 4.36Å; M5-L265 HydrophobicContact SD-CD2 3.77Å; L243-L265 HydrophobicContact CD1-CD1 4.16Å; L243-L265 HydrophobicContact CD2-CB 3.88Å; L243-L265 HydrophobicContact CD2-CD1 4.33Å; V261-L265 PolarHBondContact O-N 3.04Å; F262-L265 WeakPolarHBondContact O-CB 3.22Å; F262-L265 PolarHBondContact O-N 3.47Å; L265-F268 PolarHBondContact O-N 3.12Å; L265-M269 PolarHBondContact O-N 3.49Å; L265-W357 HydrophobicContact CD2-CH2 4.44Å
266C98Very high96.1Very high0 Ų018.8 Ų18.80%09%0.086CC..Hα-helixtrans-59.9-47.1175.5-67.90000111.4F262 I263 F268 M269 Y270 F317F262-C266 PolarHBondContact O-N 3.09Å; F262-C266 PolarHBondContact O-SG 2.82Å; I263-C266 PolarHBondContact O-N 3.32Å; C266-F268 PolarHBondContact O-N 3.07Å; C266-M269 PolarHBondContact O-N 3.48Å; C266-Y270 VanDerWaalsContact O-CB 3.27Å; C266-Y270 WeakPolarHBondContact O-CB 3.13Å; C266-Y270 PolarHBondContact O-N 2.9Å; C266-F317 HydrophobicContact CB-CB 4.22Å; C266-F317 HydrophobicContact CB-CD1 4.38Å; C266-F317 WeakPolarHBondContact CB-O 3.47Å
267H98Very high96.1Very high14 Ų1419 Ų197%0.0659%0.087CC..Hα-helixtrans-69.8-30.8-179.7-74.185.8000113.6T239 I263 A264 S271 S321 V525 G526T239-H267 HydrophobicContact CG2-CB 3.84Å; I263-H267 PolarHBondContact O-N 3.35Å; I263-H267 PolarHBondContact O-ND1 3.15Å; A264-H267 PolarHBondContact O-N 3.27Å; H267-S271 WeakPolarHBondContact O-CB 3.47Å; H267-S271 PolarHBondContact O-N 3.31Å; H267-S271 PolarHBondContact O-OG 2.9Å; H267-S321 PolarHBondContact CE1-OG 2.94Å; H267-V525 WeakPolarHBondContact CE1-CG1 3.44Å; H267-G526 VanDerWaalsContact CB-CA 3.48Å
268F97.7Very high96Very high64 Ų6420.4 Ų20.428%0.28110%0.096SC..Hα-helixtrans-57.6-56.3170.6-176.3-90.8000109.9L236 T239 L243 A264 L265 C266 Y270 S271 I272L236-F268 HydrophobicContact CD2-CD1 4.43Å; L236-F268 HydrophobicContact CD2-CD2 3.75Å; L236-F268 HydrophobicContact CD2-CE1 4.43Å; L236-F268 HydrophobicContact CD2-CE2 3.75Å; L236-F268 HydrophobicContact CD2-CG 4.1Å; L236-F268 HydrophobicContact CD2-CZ 4.1Å; L236-F268 WeakPolarHBondContact CD2-O 3.32Å; T239-F268 WeakPolarHBondContact OG1-CA 3.46Å; T239-F268 WeakPolarHBondContact OG1-CB 3.13Å; T239-F268 WeakPolarHBondContact OG1-CD2 3.28Å; L243-F268 HydrophobicContact CD1-CB 3.88Å; L243-F268 HydrophobicContact CD1-CD2 4.14Å; L243-F268 HydrophobicContact CD1-CG 3.97Å; A264-F268 WeakPolarHBondContact O-CB 3.47Å; A264-F268 PolarHBondContact O-N 3.24Å; L265-F268 PolarHBondContact O-N 3.12Å; C266-F268 PolarHBondContact O-N 3.07Å; F268-Y270 PolarHBondContact O-N 3.37Å; F268-S271 PolarHBondContact O-N 3.24Å; F268-S271 PolarHBondContact O-OG 3.43Å; F268-I272 HydrophobicContact CD1-CD1 4.24Å; F268-I272 HydrophobicContact CE1-CD1 3.96Å; F268-I272 PolarHBondContact O-N 2.91Å
269M97.3Very high95.9Very high31 Ų3123.1 Ų23.115%0.15312%0.115CC..Hα-helixtrans-62.2-41.4178.6-61.8-56.5-55.600112.7L9 L265 C266 S271 I272 L313 F317L9-M269 HydrophobicContact CD2-CE 3.64Å; L265-M269 PolarHBondContact O-N 3.49Å; C266-M269 PolarHBondContact O-N 3.48Å; M269-S271 VanDerWaalsContact C-N 3.32Å; M269-S271 PolarHBondContact O-N 3.2Å; M269-I272 HydrophobicContact CE-CD1 4.14Å; M269-I272 WeakPolarHBondContact O-CB 3.43Å; M269-I272 PolarHBondContact O-N 2.93Å; M269-I272 HydrophobicContact SD-CD1 4.05Å; M269-L313 HydrophobicContact CB-CD2 4.31Å; M269-L313 HydrophobicContact CE-CD2 3.61Å; M269-F317 HydrophobicContact CB-CD1 3.87Å; M269-F317 HydrophobicContact CB-CD2 3.7Å; M269-F317 HydrophobicContact CB-CE1 3.86Å; M269-F317 HydrophobicContact CB-CE2 3.71Å; M269-F317 HydrophobicContact CB-CG 3.78Å; M269-F317 HydrophobicContact CB-CZ 3.78Å; M269-F317 HydrophobicContact CE-CE2 4.47Å; M269-F317 HydrophobicContact CE-CZ 4.38Å; M269-F317 HydrophobicContact CG-CD1 4.16Å; M269-F317 HydrophobicContact CG-CE1 3.73Å; M269-F317 HydrophobicContact CG-CE2 4.16Å; M269-F317 HydrophobicContact CG-CZ 3.72Å
270Y96.7Very high95.5Very high18 Ų1823.8 Ų23.87%0.07112%0.121CC..Hα-helixtrans-57.9-43175.5-174.8-88000112C266 F268 I272 A273 Y274 L313 R314 A318 S522C266-Y270 VanDerWaalsContact O-CB 3.27Å; C266-Y270 WeakPolarHBondContact O-CB 3.13Å; C266-Y270 PolarHBondContact O-N 2.9Å; F268-Y270 PolarHBondContact O-N 3.37Å; Y270-I272 VanDerWaalsContact C-N 3.35Å; Y270-I272 PolarHBondContact O-N 3.32Å; Y270-A273 VanDerWaalsContact O-CB 3.26Å; Y270-A273 WeakPolarHBondContact O-CB 3.37Å; Y270-A273 PolarHBondContact O-N 3.44Å; Y270-Y274 HydrophobicContact CD1-CD2 4.41Å; Y270-Y274 AromaticContact CD1-CE2 3.89Å; Y270-Y274 HydrophobicContact CD1-CE2 3.89Å; Y270-Y274 HydrophobicContact CE1-CD2 4.17Å; Y270-Y274 AromaticContact CE1-CE2 3.27Å; Y270-Y274 HydrophobicContact CE1-CE2 3.27Å; Y270-Y274 AromaticContact CE1-CZ 3.93Å; Y270-Y274 AromaticContact CZ-CE2 3.65Å; Y270-Y274 WeakPolarHBondContact O-CD2 3.11Å; Y270-Y274 PolarHBondContact OH-OH 3.46Å; Y270-L313 WeakPolarHBondContact CA-O 3.36Å; Y270-R314 HydrophobicContact CD2-CB 4.38Å; Y270-R314 VanDerWaalsContact CD2-O 3.25Å; Y270-R314 WeakPolarHBondContact CD2-O 3.28Å; Y270-R314 HydrophobicContact CE2-CB 3.97Å; Y270-R314 HydrophobicContact CE2-CG 4.29Å; Y270-R314 VanDerWaalsContact CE2-O 3.29Å; Y270-R314 WeakPolarHBondContact CE2-O 3.35Å; Y270-A318 HydrophobicContact CD2-CB 4.19Å; Y270-A318 HydrophobicContact CE2-CB 3.96Å; Y270-S522 WeakPolarHBondContact OH-CB 3.43Å
271S97.1Very high95.3Very high0 Ų025.2 Ų25.20%014%0.136CC..Hα-helixtrans-70.4-24.9178.756.70000114.3L236 H267 F268 M269 A273 Y274L236-S271 WeakPolarHBondContact CD2-OG 3.37Å; L236-S271 VanDerWaalsContact CG-OG 3.29Å; L236-S271 WeakPolarHBondContact CG-OG 3.41Å; H267-S271 WeakPolarHBondContact O-CB 3.47Å; H267-S271 PolarHBondContact O-N 3.31Å; H267-S271 PolarHBondContact O-OG 2.9Å; F268-S271 PolarHBondContact O-N 3.24Å; F268-S271 PolarHBondContact O-OG 3.43Å; M269-S271 VanDerWaalsContact C-N 3.32Å; M269-S271 PolarHBondContact O-N 3.2Å; S271-A273 VanDerWaalsContact C-N 3.25Å; S271-A273 PolarHBondContact O-N 3.26Å; S271-Y274 PolarHBondContact O-N 2.89Å
272I96.4Very high94.9Very high50 Ų5026.4 Ų26.426%0.25614%0.143SC..Hα-helixtrans-59.7-39.6170.8-62.5176.1000110.4L236 F268 M269 Y270 Y274 L275 L276 L313L236-I272 HydrophobicContact CD2-CG1 3.84Å; F268-I272 HydrophobicContact CD1-CD1 4.24Å; F268-I272 HydrophobicContact CE1-CD1 3.96Å; F268-I272 PolarHBondContact O-N 2.91Å; M269-I272 HydrophobicContact CE-CD1 4.14Å; M269-I272 WeakPolarHBondContact O-CB 3.43Å; M269-I272 PolarHBondContact O-N 2.93Å; M269-I272 HydrophobicContact SD-CD1 4.05Å; Y270-I272 VanDerWaalsContact C-N 3.35Å; Y270-I272 PolarHBondContact O-N 3.32Å; I272-Y274 VanDerWaalsContact C-N 3.25Å; I272-Y274 PolarHBondContact O-N 3.23Å; I272-L275 PolarHBondContact O-N 2.9Å; I272-L276 HydrophobicContact CG2-CD2 4.29Å; I272-L276 HydrophobicContact CG2-CG 4.44Å; I272-L276 PolarHBondContact O-N 3.27Å; I272-L313 HydrophobicContact CG2-CD1 4.28Å
273A95.2Very high94.5Very high0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-54.3-42.2-178.100000112.6Y270 S271 L275 L276 P277 L313 R314 L381Y270-A273 VanDerWaalsContact O-CB 3.26Å; Y270-A273 WeakPolarHBondContact O-CB 3.37Å; Y270-A273 PolarHBondContact O-N 3.44Å; S271-A273 VanDerWaalsContact C-N 3.25Å; S271-A273 PolarHBondContact O-N 3.26Å; A273-L275 PolarHBondContact O-N 2.94Å; A273-L276 PolarHBondContact O-N 3.29Å; A273-L276 VanDerWaalsContact O-N 3.16Å; A273-P277 VanDerWaalsContact O-CD 3.25Å; A273-P277 WeakPolarHBondContact O-CD 3.37Å; A273-L313 HydrophobicContact CB-CB 3.65Å; A273-L313 HydrophobicContact CB-CD1 4.33Å; A273-R314 HydrophobicContact CB-CG 3.54Å; A273-L381 WeakPolarHBondContact O-CD2 3.43Å
274Y96.3Very high94.1Very high2 Ų237.4 Ų37.41%0.00819%0.187CC..Hα-helixtrans-71.3-16.5-178.2-72.6-99.6000113.5M228 Y270 S271 I272 R314 L381 I519 M523M228-Y274 HydrophobicContact CB-CD1 4.45Å; M228-Y274 HydrophobicContact CG-CD1 4Å; M228-Y274 HydrophobicContact SD-CD1 3.89Å; Y270-Y274 HydrophobicContact CD1-CD2 4.41Å; Y270-Y274 AromaticContact CD1-CE2 3.89Å; Y270-Y274 HydrophobicContact CD1-CE2 3.89Å; Y270-Y274 HydrophobicContact CE1-CD2 4.17Å; Y270-Y274 AromaticContact CE1-CE2 3.27Å; Y270-Y274 HydrophobicContact CE1-CE2 3.27Å; Y270-Y274 AromaticContact CE1-CZ 3.93Å; Y270-Y274 AromaticContact CZ-CE2 3.65Å; Y270-Y274 WeakPolarHBondContact O-CD2 3.11Å; Y270-Y274 PolarHBondContact OH-OH 3.46Å; S271-Y274 PolarHBondContact O-N 2.89Å; I272-Y274 VanDerWaalsContact C-N 3.25Å; I272-Y274 PolarHBondContact O-N 3.23Å; Y274-R314 HydrophobicContact CE2-CG 4.09Å; Y274-R314 PolarHBondContact OH-NE 3.37Å; Y274-R314 PolarHBondContact OH-NH2 3.24Å; Y274-L381 HydrophobicContact CD1-CD1 3.37Å; Y274-L381 HydrophobicContact CD2-CD1 4.43Å; Y274-L381 HydrophobicContact CE1-CD1 3.41Å; Y274-L381 VanDerWaalsContact CE1-CD1 3.41Å; Y274-L381 HydrophobicContact CE2-CD1 4.47Å; Y274-L381 HydrophobicContact CG-CD1 3.91Å; Y274-I519 HydrophobicContact CD1-CG2 4.41Å; Y274-I519 HydrophobicContact CE1-CG1 4.09Å; Y274-I519 HydrophobicContact CE1-CG2 4.31Å; Y274-M523 HydrophobicContact CD1-CE 3.54Å; Y274-M523 HydrophobicContact CD2-CE 3.33Å; Y274-M523 HydrophobicContact CE1-CE 4.02Å; Y274-M523 HydrophobicContact CE2-CE 3.83Å; Y274-M523 HydrophobicContact CG-CE 3.17Å
275L95.5Very high93.8Very high30 Ų3037.4 Ų37.416%0.15719%0.187CC..Hα-helixtrans-89.9-21.3171.6-61-174.7000112.9A232 L236 I272 A273 I278 I279A232-L275 HydrophobicContact CB-CD2 3.74Å; A232-L275 HydrophobicContact CB-CG 3.93Å; L236-L275 HydrophobicContact CD1-CD1 3.48Å; L236-L275 VanDerWaalsContact CD1-CD1 3.48Å; I272-L275 PolarHBondContact O-N 2.9Å; A273-L275 PolarHBondContact O-N 2.94Å; L275-I278 HydrophobicContact CD2-CD1 4.3Å; L275-I278 WeakPolarHBondContact O-CB 3.32Å; L275-I278 PolarHBondContact O-N 3.13Å; L275-I278 VanDerWaalsContact O-N 3.09Å; L275-I279 HydrophobicContact CB-CD1 3.97Å; L275-I279 WeakPolarHBondContact O-CG1 3.42Å; L275-I279 PolarHBondContact O-N 3.07Å
276L92.9Very high93.5Very high26 Ų2636.5 Ų36.514%0.13618%0.183CC..Hα-helixtrans-58.3-45.6-176.8-67.5-177000113.5I272 A273 I278 I279 A280 W306 A309 T310 L313I272-L276 HydrophobicContact CG2-CD2 4.29Å; I272-L276 HydrophobicContact CG2-CG 4.44Å; I272-L276 PolarHBondContact O-N 3.27Å; A273-L276 PolarHBondContact O-N 3.29Å; A273-L276 VanDerWaalsContact O-N 3.16Å; L276-I278 PolarHBondContact O-N 3.16Å; L276-I279 PolarHBondContact O-N 3.24Å; L276-A280 VanDerWaalsContact O-CB 3.27Å; L276-A280 WeakPolarHBondContact O-CB 3.43Å; L276-A280 PolarHBondContact O-N 2.96Å; L276-W306 HydrophobicContact CD2-CZ3 4.28Å; L276-A309 HydrophobicContact CD1-CB 4.4Å; L276-T310 HydrophobicContact CB-CG2 3.89Å; L276-T310 HydrophobicContact CD1-CG2 3.88Å; L276-T310 HydrophobicContact CG-CG2 4.49Å; L276-L313 HydrophobicContact CD1-CD1 3.56Å; L276-L313 HydrophobicContact CG-CD1 4.47Å
277P91.4Very high93.1Very high8 Ų837 Ų375%0.05219%0.186CC..Hα-helixtrans-67.4-24.1177.3-19.432.3000113.9A273 G281 A285 S380 L381A273-P277 VanDerWaalsContact O-CD 3.25Å; A273-P277 WeakPolarHBondContact O-CD 3.37Å; P277-G281 CarbonylContact O-C 3.33Å; P277-G281 VanDerWaalsContact O-CA 3.31Å; P277-G281 WeakPolarHBondContact O-CA 3.28Å; P277-G281 PolarHBondContact O-N 3.09Å; P277-G281 VanDerWaalsContact O-N 3.13Å; P277-A285 HydrophobicContact CB-CB 3.8Å; P277-A285 HydrophobicContact CG-CB 4.12Å; P277-S380 WeakPolarHBondContact CG-O 3.29Å; P277-L381 HydrophobicContact CG-CD2 3.41Å; P277-L381 VanDerWaalsContact CG-CD2 3.41Å; P277-L381 HydrophobicContact CG-CG 4.01Å
278I92.5Very high92.6Very high78 Ų7838.5 Ų38.540%0.419%0.193SC..Hα-helixtrans-76.4-38.9177.7-54.4179.7000110.1A229 L275 L276A229-I278 HydrophobicContact CB-CD1 3.86Å; L275-I278 HydrophobicContact CD2-CD1 4.3Å; L275-I278 WeakPolarHBondContact O-CB 3.32Å; L275-I278 PolarHBondContact O-N 3.13Å; L275-I278 VanDerWaalsContact O-N 3.09Å; L276-I278 PolarHBondContact O-N 3.16Å
279I91.6Very high91.9Very high132 Ų13244.6 Ų44.668%0.67721%0.214SC*.Hα-helixtrans-81-44.3-179.4-63.4164.6000111.8L275 L276L275-I279 HydrophobicContact CB-CD1 3.97Å; L275-I279 WeakPolarHBondContact O-CG1 3.42Å; L275-I279 PolarHBondContact O-N 3.07Å; L276-I279 PolarHBondContact O-N 3.24Å
280A89.4Confident90.8Very high14 Ų1444.5 Ų44.512%0.11621%0.214CC..Hα-helixtrans-84.6-22.7-175.900000113.7L276 R284 W306L276-A280 VanDerWaalsContact O-CB 3.27Å; L276-A280 WeakPolarHBondContact O-CB 3.43Å; L276-A280 PolarHBondContact O-N 2.96Å; A280-R284 HydrophobicContact CB-CB 4.36Å; A280-R284 WeakPolarHBondContact O-CD 3.36Å; A280-W306 HydrophobicContact CB-CD2 4.08Å; A280-W306 HydrophobicContact CB-CE3 3.86Å; A280-W306 HydrophobicContact CB-CH2 4.26Å; A280-W306 HydrophobicContact CB-CZ2 4.46Å; A280-W306 HydrophobicContact CB-CZ3 3.96Å
281G90.1Very high89.5Confident31 Ų3149 Ų4932%0.3224%0.243SC..  trans86.9153.1-170.900000113.2P277 E283 R284 A285P277-G281 CarbonylContact O-C 3.33Å; P277-G281 VanDerWaalsContact O-CA 3.31Å; P277-G281 WeakPolarHBondContact O-CA 3.28Å; P277-G281 PolarHBondContact O-N 3.09Å; P277-G281 VanDerWaalsContact O-N 3.13Å; G281-E283 PolarHBondContact O-N 3.32Å; G281-R284 PolarHBondContact O-N 2.99Å; G281-A285 VanDerWaalsContact O-CB 3.29Å; G281-A285 WeakPolarHBondContact O-CB 3.23Å; G281-A285 PolarHBondContact O-N 3.21Å
282V88.1Confident88.2Confident27 Ų2752.2 Ų52.216%0.16427%0.266CS..Hα-helixtrans-56.6-50.8-173.8173.50000112.6R284 A285 S286 S380V282-R284 PolarHBondContact O-N 3.39Å; V282-A285 PolarHBondContact O-N 3.39Å; V282-S286 PolarHBondContact O-N 3.21Å; V282-S286 PolarHBondContact O-OG 3.41Å; V282-S380 WeakPolarHBondContact CG1-OG 2.83Å
283E88.4Confident87.1Confident75 Ų7552.7 Ų52.735%0.3528%0.283SS..Hα-helixtrans-52-53.2179.6-73.9-71.1163.500111.5C210 N211 G281 C287 S295C210-E283 PolarHBondContact SG-OE1 3.37Å; C210-E283 VanDerWaalsContact SG-OE1 3.33Å; N211-E283 PolarHBondContact ND2-OE1 3.2Å; G281-E283 PolarHBondContact O-N 3.32Å; E283-C287 WeakPolarHBondContact O-CB 3.38Å; E283-C287 PolarHBondContact O-N 2.87Å; E283-C287 VanDerWaalsContact O-N 3.09Å; E283-S295 PolarHBondContact OE2-OG 2.91Å
284R89.4Confident86.3Confident167 Ų16757.3 Ų57.363%0.6330%0.301SS*.Hα-helixtrans-67.8-38.8-179.1-66.9-174.3-177.7154.9-2.5112.1A280 G281 V282 N304 W306A280-R284 HydrophobicContact CB-CB 4.36Å; A280-R284 WeakPolarHBondContact O-CD 3.36Å; G281-R284 PolarHBondContact O-N 2.99Å; V282-R284 PolarHBondContact O-N 3.39Å; R284-N304 PolarHBondContact O-ND2 2.88Å; R284-N304 PolarHBondContact O-OD1 3.43Å; R284-W306 WeakPolarHBondContact O-CB 3.43Å
285A90.6Very high85.8Confident0 Ų058.4 Ų58.40%031%0.309CS..Hα-helixtrans-76.2-31.1-17300000114.6P277 G281 V282 C307P277-A285 HydrophobicContact CB-CB 3.8Å; P277-A285 HydrophobicContact CG-CB 4.12Å; G281-A285 VanDerWaalsContact O-CB 3.29Å; G281-A285 WeakPolarHBondContact O-CB 3.23Å; G281-A285 PolarHBondContact O-N 3.21Å; V282-A285 PolarHBondContact O-N 3.39Å; A285-C307 WeakPolarHBondContact O-CA 3.14Å; A285-C307 PolarHBondContact O-N 3.49Å
286S91.2Very high85.3Confident0 Ų057 Ų570%030%0.302CS..Hα-helixtrans-138.9-6.3-165.357.50000116.2V282 V298 S380V282-S286 PolarHBondContact O-N 3.21Å; V282-S286 PolarHBondContact O-OG 3.41Å; S286-V298 WeakPolarHBondContact O-CG2 3.4Å; S286-V298 PolarHBondContact O-N 3.38Å; S286-S380 WeakPolarHBondContact OG-CB 3.46Å
287C89.7Confident85Confident9 Ų957 Ų576%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-116.6152.1-174.4-570000112.9C210 E283 S295 V296 N304C210-C287 HydrophobicContact CB-CB 3.68Å; C210-C287 WeakPolarHBondContact CB-SG 3.47Å; C210-C287 WeakPolarHBondContact SG-CB 3.39Å; C210-C287 CovalentContact SG-SG 2.03Å; C210-C287 PolarHBondContact SG-SG 3.15Å; E283-C287 WeakPolarHBondContact O-CB 3.38Å; E283-C287 PolarHBondContact O-N 2.87Å; E283-C287 VanDerWaalsContact O-N 3.09Å; C287-S295 WeakPolarHBondContact CB-OG 3.49Å; C287-V296 CarbonylContact C-O 3.54Å; C287-V296 WeakPolarHBondContact CA-O 3.19Å; C287-V296 WeakPolarHBondContact CB-O 3.37Å; C287-N304 PolarHBondContact O-ND2 2.97Å
288Q86.8Confident84.7Confident46 Ų4656.7 Ų56.722%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-126.4140174.3174.1179.9-2.100108.3S295 V296 V298 S303Q288-S295 WeakPolarHBondContact O-CA 3.43Å; Q288-V296 PolarHBondContact N-O 2.85Å; Q288-V296 PolarHBondContact O-N 3.28Å; Q288-V298 HydrophobicContact CB-CG2 4.03Å; Q288-S303 PolarHBondContact OE1-OG 3.48Å
289R83.4Confident84.1Confident193 Ų19353.9 Ų53.973%0.72829%0.288SS*.EExtended strand (participates in β ladder)trans-84.7131.8168.5-66.5-179.9-178.3160.8-2.3110.3Y294R289-Y294 WeakPolarHBondContact CA-O 3.11Å
290L74.3Confident83.1Confident29 Ų2949.5 Ų49.515%0.15227%0.265CS..  trans-81.2163.8168.7-91.462.6000110.7I197 S292 G293 Y294 V296I197-L290 HydrophobicContact CG1-CD2 4.29Å; L290-S292 WeakPolarHBondContact CB-OG 3.36Å; L290-S292 PolarHBondContact O-N 2.72Å; L290-G293 PolarHBondContact O-N 3.46Å; L290-Y294 PolarHBondContact N-O 3.13Å; L290-V296 HydrophobicContact CD1-CB 4.28Å; L290-V296 HydrophobicContact CD1-CG1 3.94Å; L290-V296 HydrophobicContact CD1-CG2 3.35Å
291T69.5Low82.1Confident111 Ų11149.3 Ų49.368%0.68126%0.262SS*.THydrogen-bonded Turntrans-56.7-31.3167.746.70000112.3G293T291-G293 PolarHBondContact O-N 3.01Å; T291-G293 VanDerWaalsContact O-N 3.13Å
292S68.9Low81.1Confident69 Ų6949.5 Ų49.548%0.48326%0.256SS..THydrogen-bonded Turntrans-68.50.6172.157.90000115L290 Y294L290-S292 WeakPolarHBondContact CB-OG 3.36Å; L290-S292 PolarHBondContact O-N 2.72Å; S292-Y294 VanDerWaalsContact C-N 3.25Å; S292-Y294 PolarHBondContact O-N 3.01Å
293G74.4Confident80.5Confident59 Ų5950.4 Ų50.461%0.60826%0.263SS*.SBendtrans83-15.4177.900000115.1L290 T291L290-G293 PolarHBondContact O-N 3.46Å; T291-G293 PolarHBondContact O-N 3.01Å; T291-G293 VanDerWaalsContact O-N 3.13Å
294Y78.1Confident80.4Confident97 Ų9747.7 Ų47.738%0.3825%0.251SS..  trans-68.1134.1175.4-63.1-58.1000111.8D188 A195 R289 L290 S292D188-Y294 WeakPolarHBondContact OD2-CE2 3.49Å; A195-Y294 HydrophobicContact CB-CD2 3.97Å; A195-Y294 HydrophobicContact CB-CG 4.32Å; R289-Y294 WeakPolarHBondContact CA-O 3.11Å; L290-Y294 PolarHBondContact N-O 3.13Å; S292-Y294 VanDerWaalsContact C-N 3.25Å; S292-Y294 PolarHBondContact O-N 3.01Å
295S85.4Confident80.4Confident25 Ų2542.5 Ų42.518%0.17524%0.238CC..EExtended strand (participates in β ladder)trans-82.6125.2162.8-165.80000108.3C210 E283 C287 Q288C210-S295 WeakPolarHBondContact CB-OG 3.38Å; C210-S295 PolarHBondContact N-O 2.83Å; E283-S295 PolarHBondContact OE2-OG 2.91Å; C287-S295 WeakPolarHBondContact CB-OG 3.49Å; Q288-S295 WeakPolarHBondContact O-CA 3.43Å
296V84.7Confident80.4Confident2 Ų248.1 Ų48.11%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-122.8155.2179.2-53.70000110.9A195 V207 C287 Q288 L290A195-V296 HydrophobicContact CB-CG1 3.81Å; V207-V296 HydrophobicContact CG2-CB 3.72Å; V207-V296 HydrophobicContact CG2-CG1 3.79Å; V207-V296 HydrophobicContact CG2-CG2 3.95Å; C287-V296 CarbonylContact C-O 3.54Å; C287-V296 WeakPolarHBondContact CA-O 3.19Å; C287-V296 WeakPolarHBondContact CB-O 3.37Å; Q288-V296 PolarHBondContact N-O 2.85Å; Q288-V296 PolarHBondContact O-N 3.28Å; L290-V296 HydrophobicContact CD1-CB 4.28Å; L290-V296 HydrophobicContact CD1-CG1 3.94Å; L290-V296 HydrophobicContact CD1-CG2 3.35Å
297L87Confident80.4Confident24 Ų2448.1 Ų48.113%0.12626%0.26CS..EExtended strand (participates in β ladder)trans-65132.1170.3-167.864.4000109.3L208 A299 A375 E377L208-L297 HydrophobicContact CD2-CD2 4.34Å; L208-L297 PolarHBondContact O-N 2.84Å; L297-A299 PolarHBondContact O-N 3.11Å; L297-A375 HydrophobicContact CD1-CB 3.57Å; L297-A375 VanDerWaalsContact CD2-O 3.28Å; L297-A375 WeakPolarHBondContact CD2-O 3.26Å; L297-A375 HydrophobicContact CG-CB 3.88Å; L297-E377 HydrophobicContact CD2-CB 4.18Å
298V86Confident80.5Confident2 Ų247.8 Ų47.81%0.01226%0.257CS..  trans-60.9121-176.8171.90000110.4S286 Q288 S301 N304 E374 A375S286-V298 WeakPolarHBondContact O-CG2 3.4Å; S286-V298 PolarHBondContact O-N 3.38Å; Q288-V298 HydrophobicContact CB-CG2 4.03Å; V298-S301 VanDerWaalsContact CG1-O 3.25Å; V298-S301 WeakPolarHBondContact CG1-O 3.23Å; V298-N304 HydrophobicContact CG2-CB 3.81Å; V298-E374 CarbonylContact O-C 3.57Å; V298-E374 WeakPolarHBondContact O-CA 3.15Å; V298-A375 HydrophobicContact CB-CB 4.2Å; V298-A375 PolarHBondContact O-N 3.46Å
299A78.7Confident80.8Confident20 Ų2046.4 Ų46.417%0.16525%0.254CS..BIsolated β-bridgetrans-132.8130.5174.800000109.3V207 L297 S301V207-A299 HydrophobicContact CG1-CB 3.97Å; L297-A299 PolarHBondContact O-N 3.11Å; A299-S301 PolarHBondContact O-N 2.87Å; A299-S301 VanDerWaalsContact O-N 3.15Å
300H71.7Confident81.3Confident39 Ų3937.2 Ų37.218%0.18122%0.219CC..SBendtrans49.837.4178.9-60-85.4000114.5L202 H371 E372 V373 C385L202-H300 HydrophobicContact CD1-CB 3.79Å; L202-H300 HydrophobicContact CD2-CB 4.27Å; H300-H371 CarbonylContact C-O 3.15Å; H300-H371 VanDerWaalsContact CA-O 3.28Å; H300-H371 WeakPolarHBondContact CA-O 3.29Å; H300-E372 IonicContact CE1-OE2 2.71Å; H300-E372 PolarHBondContact CE1-OE2 3.1Å; H300-E372 IonicContact ND1-OE2 2.9Å; H300-E372 PolarHBondContact ND1-OE2 3.18Å; H300-E372 VanDerWaalsContact ND1-OE2 3.11Å; H300-V373 PolarHBondContact N-O 2.88Å; H300-C385 PolarHBondContact CE1-SG 2.84Å
301S68.6Low82.3Confident10 Ų1035.8 Ų35.87%0.0721%0.212CC..  trans-148145.3-178.1-145.60000113.3R199 V298 A299R199-S301 PolarHBondContact NH1-OG 3.38Å; V298-S301 VanDerWaalsContact CG1-O 3.25Å; V298-S301 WeakPolarHBondContact CG1-O 3.23Å; A299-S301 PolarHBondContact O-N 2.87Å; A299-S301 VanDerWaalsContact O-N 3.15Å
302L68.3Low83.5Confident36 Ų3630.7 Ų30.719%0.18818%0.18CC..  trans-103.87179.2-56.2-175.6000113.3N304 V308 M368 V373L302-N304 PolarHBondContact O-N 2.76Å; L302-V308 HydrophobicContact CB-CG2 4.09Å; L302-V308 HydrophobicContact CD2-CG2 4.11Å; L302-M368 HydrophobicContact CD1-CB 4.25Å; L302-M368 HydrophobicContact CD1-CE 3.64Å; L302-M368 WeakPolarHBondContact CD1-O 3.26Å; L302-M368 HydrophobicContact CD1-SD 4.26Å; L302-M368 HydrophobicContact CD2-CE 3.73Å; L302-M368 HydrophobicContact CD2-SD 3.72Å; L302-M368 HydrophobicContact CG-CE 4.19Å; L302-V373 HydrophobicContact CD2-CB 4.14Å; L302-V373 HydrophobicContact CD2-CG2 4.05Å
303S75.9Confident84.8Confident45 Ų4528 Ų2832%0.31516%0.16SC..  trans-55.6-30.6-179.355.70000114.6Q288Q288-S303 PolarHBondContact OE1-OG 3.48Å
304N86.3Confident85.8Confident18 Ų1826.3 Ų26.310%0.09614%0.136CC..  trans-96107.2-178.4-177.2-40000110.4R284 C287 V298 L302 W306 C307 V308R284-N304 PolarHBondContact O-ND2 2.88Å; R284-N304 PolarHBondContact O-OD1 3.43Å; C287-N304 PolarHBondContact O-ND2 2.97Å; V298-N304 HydrophobicContact CG2-CB 3.81Å; L302-N304 PolarHBondContact O-N 2.76Å; N304-W306 VanDerWaalsContact C-N 3.3Å; N304-W306 PolarHBondContact O-N 3.09Å; N304-W306 WeakPolarHBondContact OD1-CA 3.49Å; N304-W306 WeakPolarHBondContact OD1-CB 3.44Å; N304-W306 PolarHBondContact OD1-N 3.14Å; N304-C307 HydrophobicContact CB-CB 3.76Å; N304-C307 VanDerWaalsContact O-CB 3.31Å; N304-C307 WeakPolarHBondContact O-CB 3.2Å; N304-C307 PolarHBondContact O-N 3.29Å; N304-C307 PolarHBondContact OD1-N 3.27Å; N304-V308 WeakPolarHBondContact O-CG2 3.22Å; N304-V308 PolarHBondContact O-N 3.31Å
305V88.8Confident86.6Confident59 Ų5921.7 Ų21.736%0.35812%0.117SC..Hα-helixtrans-59.7-34.9-179.6-178.90000113.1A309V305-A309 WeakPolarHBondContact O-CB 3.07Å; V305-A309 PolarHBondContact O-N 3.37Å
306W90.2Very high87.1Confident117 Ų11720.7 Ų20.744%0.44311%0.11SC..Hα-helixtrans-72-40177.2-65.392.9000111.8L276 A280 R284 N304 A309 T310L276-W306 HydrophobicContact CD2-CZ3 4.28Å; A280-W306 HydrophobicContact CB-CD2 4.08Å; A280-W306 HydrophobicContact CB-CE3 3.86Å; A280-W306 HydrophobicContact CB-CH2 4.26Å; A280-W306 HydrophobicContact CB-CZ2 4.46Å; A280-W306 HydrophobicContact CB-CZ3 3.96Å; R284-W306 WeakPolarHBondContact O-CB 3.43Å; N304-W306 VanDerWaalsContact C-N 3.3Å; N304-W306 PolarHBondContact O-N 3.09Å; N304-W306 WeakPolarHBondContact OD1-CA 3.49Å; N304-W306 WeakPolarHBondContact OD1-CB 3.44Å; N304-W306 PolarHBondContact OD1-N 3.14Å; W306-A309 PolarHBondContact O-N 3.48Å; W306-T310 WeakPolarHBondContact O-CG2 3.49Å; W306-T310 PolarHBondContact O-N 2.76Å
307C92Very high87.7Confident1 Ų120.9 Ų20.91%0.00711%0.111CC..Hα-helixtrans-56.6-53171.8174.70000109.8A285 N304 A309 T310 F311 C382A285-C307 WeakPolarHBondContact O-CA 3.14Å; A285-C307 PolarHBondContact O-N 3.49Å; N304-C307 HydrophobicContact CB-CB 3.76Å; N304-C307 VanDerWaalsContact O-CB 3.31Å; N304-C307 WeakPolarHBondContact O-CB 3.2Å; N304-C307 PolarHBondContact O-N 3.29Å; N304-C307 PolarHBondContact OD1-N 3.27Å; C307-A309 VanDerWaalsContact C-N 3.32Å; C307-A309 PolarHBondContact O-N 2.9Å; C307-T310 PolarHBondContact O-N 3.27Å; C307-T310 VanDerWaalsContact O-N 3.13Å; C307-T310 PolarHBondContact O-OG1 3.35Å; C307-F311 PolarHBondContact O-N 3.1Å; C307-C382 WeakPolarHBondContact CA-SG 3.48Å; C307-C382 HydrophobicContact CB-CB 4.12Å; C307-C382 WeakPolarHBondContact CB-SG 3.39Å; C307-C382 WeakPolarHBondContact O-CB 3.42Å; C307-C382 WeakPolarHBondContact SG-CB 3.21Å; C307-C382 CovalentContact SG-SG 2.02Å; C307-C382 PolarHBondContact SG-SG 3.31Å
308V92.3Very high88.1Confident2 Ų220.8 Ų20.81%0.01211%0.113CC..Hα-helixtrans-56.5-42.4175171.10000112.3M16 L302 N304 F311 I312 M368M16-V308 HydrophobicContact CB-CG1 4.45Å; M16-V308 HydrophobicContact CG-CG1 3.83Å; M16-V308 HydrophobicContact SD-CG1 4.07Å; L302-V308 HydrophobicContact CB-CG2 4.09Å; L302-V308 HydrophobicContact CD2-CG2 4.11Å; N304-V308 WeakPolarHBondContact O-CG2 3.22Å; N304-V308 PolarHBondContact O-N 3.31Å; V308-F311 WeakPolarHBondContact O-CB 3.48Å; V308-F311 PolarHBondContact O-N 2.88Å; V308-I312 HydrophobicContact CG1-CD1 3.74Å; V308-I312 HydrophobicContact CG1-CG1 4.35Å; V308-I312 WeakPolarHBondContact O-CG1 3.29Å; V308-I312 PolarHBondContact O-N 2.98Å; V308-M368 HydrophobicContact CB-CE 4.28Å; V308-M368 HydrophobicContact CG1-CE 3.4Å; V308-M368 HydrophobicContact CG1-SD 4.46Å; V308-M368 HydrophobicContact CG2-CE 3.92Å
309A92.7Very high88.6Confident16 Ų1620.8 Ų20.813%0.13211%0.113CC..Hα-helixtrans-63.4-43176.400000112.5L13 L276 V305 W306 C307 F311 I312 L313L13-A309 HydrophobicContact CD2-CB 4.26Å; L276-A309 HydrophobicContact CD1-CB 4.4Å; V305-A309 WeakPolarHBondContact O-CB 3.07Å; V305-A309 PolarHBondContact O-N 3.37Å; W306-A309 PolarHBondContact O-N 3.48Å; C307-A309 VanDerWaalsContact C-N 3.32Å; C307-A309 PolarHBondContact O-N 2.9Å; A309-F311 VanDerWaalsContact C-N 3.35Å; A309-I312 PolarHBondContact O-N 2.92Å; A309-L313 WeakPolarHBondContact O-CB 3.35Å; A309-L313 VanDerWaalsContact O-CG 3.25Å; A309-L313 WeakPolarHBondContact O-CG 3.46Å; A309-L313 PolarHBondContact O-N 3.44Å
310T94.2Very high89.5Confident0 Ų019.9 Ų19.90%011%0.105CC..Hα-helixtrans-65.4-37.9174.865.30000112L276 W306 C307 R314 L381 C382L276-T310 HydrophobicContact CB-CG2 3.89Å; L276-T310 HydrophobicContact CD1-CG2 3.88Å; L276-T310 HydrophobicContact CG-CG2 4.49Å; W306-T310 WeakPolarHBondContact O-CG2 3.49Å; W306-T310 PolarHBondContact O-N 2.76Å; C307-T310 PolarHBondContact O-N 3.27Å; C307-T310 VanDerWaalsContact O-N 3.13Å; C307-T310 PolarHBondContact O-OG1 3.35Å; T310-R314 WeakPolarHBondContact O-CB 3.23Å; T310-R314 VanDerWaalsContact O-CG 3.23Å; T310-R314 WeakPolarHBondContact O-CG 3.37Å; T310-R314 PolarHBondContact O-N 3.23Å; T310-L381 HydrophobicContact CG2-CD2 3.83Å; T310-C382 PolarHBondContact OG1-N 2.93Å
311F95Very high90.8Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-60.5-54.8174166.5-102.1000111.1C307 V308 A309 L313 R314 Y315 T364 V367 M368 V373 C382 I384C307-F311 PolarHBondContact O-N 3.1Å; V308-F311 WeakPolarHBondContact O-CB 3.48Å; V308-F311 PolarHBondContact O-N 2.88Å; A309-F311 VanDerWaalsContact C-N 3.35Å; F311-L313 PolarHBondContact O-N 3.44Å; F311-R314 PolarHBondContact O-N 3.39Å; F311-Y315 HydrophobicContact CE1-CD1 4.39Å; F311-Y315 HydrophobicContact CE2-CD1 4.09Å; F311-Y315 HydrophobicContact CE2-CD2 4.3Å; F311-Y315 AromaticContact CE2-CG 3.75Å; F311-Y315 HydrophobicContact CE2-CG 3.75Å; F311-Y315 AromaticContact CZ-CD1 3.62Å; F311-Y315 HydrophobicContact CZ-CD1 3.62Å; F311-Y315 HydrophobicContact CZ-CE1 4.23Å; F311-Y315 AromaticContact CZ-CG 3.8Å; F311-Y315 HydrophobicContact CZ-CG 3.8Å; F311-Y315 VanDerWaalsContact O-CB 3.31Å; F311-Y315 WeakPolarHBondContact O-CB 3.49Å; F311-Y315 PolarHBondContact O-N 2.96Å; F311-T364 HydrophobicContact CE1-CG2 4Å; F311-V367 HydrophobicContact CE1-CG1 4.35Å; F311-V367 HydrophobicContact CE2-CG1 3.92Å; F311-V367 HydrophobicContact CZ-CB 4.04Å; F311-V367 HydrophobicContact CZ-CG1 3.47Å; F311-V367 VanDerWaalsContact CZ-CG1 3.47Å; F311-M368 HydrophobicContact CD1-CG 4.41Å; F311-M368 HydrophobicContact CD1-SD 3.5Å; F311-M368 WeakPolarHBondContact CD1-SD 3.29Å; F311-M368 HydrophobicContact CE1-CG 3.83Å; F311-M368 HydrophobicContact CE1-SD 3.47Å; F311-M368 WeakPolarHBondContact CE1-SD 3.42Å; F311-V373 HydrophobicContact CB-CG1 4.14Å; F311-V373 HydrophobicContact CD1-CG2 4.3Å; F311-V373 HydrophobicContact CD2-CG1 4.21Å; F311-V373 HydrophobicContact CD2-CG2 4.12Å; F311-V373 HydrophobicContact CE1-CG2 4.37Å; F311-V373 HydrophobicContact CE2-CG2 4.19Å; F311-V373 HydrophobicContact CG-CG1 4.13Å; F311-V373 HydrophobicContact CG-CG2 4.19Å; F311-V373 HydrophobicContact CZ-CG2 4.32Å; F311-C382 HydrophobicContact CB-CB 4.12Å; F311-I384 HydrophobicContact CE2-CG1 4.14Å
312I94.6Very high92.1Very high3 Ų317.8 Ų17.82%0.01510%0.095CC..Hα-helixtrans-58.2-49.2179.8-67.7168000110.3L9 V308 A309 R314 Y316 T364L9-I312 HydrophobicContact CD1-CG2 4.3Å; V308-I312 HydrophobicContact CG1-CD1 3.74Å; V308-I312 HydrophobicContact CG1-CG1 4.35Å; V308-I312 WeakPolarHBondContact O-CG1 3.29Å; V308-I312 PolarHBondContact O-N 2.98Å; A309-I312 PolarHBondContact O-N 2.92Å; I312-R314 VanDerWaalsContact C-N 3.27Å; I312-R314 PolarHBondContact O-N 2.93Å; I312-Y316 VanDerWaalsContact O-CB 3.23Å; I312-Y316 WeakPolarHBondContact O-CB 3.25Å; I312-Y316 PolarHBondContact O-N 3.41Å; I312-Y316 VanDerWaalsContact O-N 3.09Å; I312-T364 HydrophobicContact CG1-CG2 4.41Å
313L95.5Very high93.6Very high14 Ų1416.4 Ų16.47%0.0739%0.088CC..Hα-helixtrans-61.8-32.9-178.3-72.3168.9000112.9L9 M269 Y270 I272 A273 L276 A309 F311 F317L9-L313 HydrophobicContact CD1-CD2 4.49Å; M269-L313 HydrophobicContact CB-CD2 4.31Å; M269-L313 HydrophobicContact CE-CD2 3.61Å; Y270-L313 WeakPolarHBondContact CA-O 3.36Å; I272-L313 HydrophobicContact CG2-CD1 4.28Å; A273-L313 HydrophobicContact CB-CB 3.65Å; A273-L313 HydrophobicContact CB-CD1 4.33Å; L276-L313 HydrophobicContact CD1-CD1 3.56Å; L276-L313 HydrophobicContact CG-CD1 4.47Å; A309-L313 WeakPolarHBondContact O-CB 3.35Å; A309-L313 VanDerWaalsContact O-CG 3.25Å; A309-L313 WeakPolarHBondContact O-CG 3.46Å; A309-L313 PolarHBondContact O-N 3.44Å; F311-L313 PolarHBondContact O-N 3.44Å; L313-F317 HydrophobicContact CD2-CD2 4.38Å; L313-F317 HydrophobicContact CD2-CE2 3.99Å; L313-F317 WeakPolarHBondContact O-CD2 3.29Å
314R95.6Very high94.6Very high23 Ų2314.3 Ų14.39%0.0877%0.073CC..Hα-helixtrans-81.1-57.3176.9-67.9170.777.2-145.25.4111.8Y270 A273 Y274 T310 F311 I312 A318 C382 F383Y270-R314 HydrophobicContact CD2-CB 4.38Å; Y270-R314 VanDerWaalsContact CD2-O 3.25Å; Y270-R314 WeakPolarHBondContact CD2-O 3.28Å; Y270-R314 HydrophobicContact CE2-CB 3.97Å; Y270-R314 HydrophobicContact CE2-CG 4.29Å; Y270-R314 VanDerWaalsContact CE2-O 3.29Å; Y270-R314 WeakPolarHBondContact CE2-O 3.35Å; A273-R314 HydrophobicContact CB-CG 3.54Å; Y274-R314 HydrophobicContact CE2-CG 4.09Å; Y274-R314 PolarHBondContact OH-NE 3.37Å; Y274-R314 PolarHBondContact OH-NH2 3.24Å; T310-R314 WeakPolarHBondContact O-CB 3.23Å; T310-R314 VanDerWaalsContact O-CG 3.23Å; T310-R314 WeakPolarHBondContact O-CG 3.37Å; T310-R314 PolarHBondContact O-N 3.23Å; F311-R314 PolarHBondContact O-N 3.39Å; I312-R314 VanDerWaalsContact C-N 3.27Å; I312-R314 PolarHBondContact O-N 2.93Å; R314-A318 WeakPolarHBondContact O-CB 3.43Å; R314-A318 PolarHBondContact O-N 3.1Å; R314-A318 VanDerWaalsContact O-N 3.1Å; R314-C382 PolarHBondContact NH1-O 3.44Å; R314-F383 HydrophobicContact CB-CD2 4.46Å; R314-F383 HydrophobicContact CB-CE2 4.46Å
315Y95.5Very high95.2Very high0 Ų013.5 Ų13.50%07%0.069CC..Hα-helixtrans-71.2-52-169.1178.2-101.5000112.8F311 F317 A318 L319 L363 T364 V367 F383 I384 F395 F396F311-Y315 HydrophobicContact CE1-CD1 4.39Å; F311-Y315 HydrophobicContact CE2-CD1 4.09Å; F311-Y315 HydrophobicContact CE2-CD2 4.3Å; F311-Y315 AromaticContact CE2-CG 3.75Å; F311-Y315 HydrophobicContact CE2-CG 3.75Å; F311-Y315 AromaticContact CZ-CD1 3.62Å; F311-Y315 HydrophobicContact CZ-CD1 3.62Å; F311-Y315 HydrophobicContact CZ-CE1 4.23Å; F311-Y315 AromaticContact CZ-CG 3.8Å; F311-Y315 HydrophobicContact CZ-CG 3.8Å; F311-Y315 VanDerWaalsContact O-CB 3.31Å; F311-Y315 WeakPolarHBondContact O-CB 3.49Å; F311-Y315 PolarHBondContact O-N 2.96Å; Y315-F317 PolarHBondContact O-N 2.87Å; Y315-A318 PolarHBondContact O-N 3.39Å; Y315-L319 HydrophobicContact CD1-CD1 4.21Å; Y315-L319 HydrophobicContact CD2-CD1 4.37Å; Y315-L319 HydrophobicContact CE1-CD1 3.6Å; Y315-L319 HydrophobicContact CE2-CD1 3.77Å; Y315-L319 HydrophobicContact CE2-CG 4.36Å; Y315-L319 PolarHBondContact O-N 3.26Å; Y315-L319 VanDerWaalsContact O-N 3.09Å; Y315-L363 HydrophobicContact CE1-CB 4.49Å; Y315-L363 PolarHBondContact OH-O 3.28Å; Y315-T364 HydrophobicContact CD1-CG2 4.22Å; Y315-T364 WeakPolarHBondContact CD1-OG1 3.47Å; Y315-V367 HydrophobicContact CE1-CG2 4.26Å; Y315-V367 WeakPolarHBondContact OH-CG2 3.42Å; Y315-F383 HydrophobicContact CD2-CE2 4.43Å; Y315-F383 HydrophobicContact CD2-CZ 4.44Å; Y315-I384 HydrophobicContact CD2-CD1 3.76Å; Y315-I384 HydrophobicContact CE2-CD1 3.31Å; Y315-I384 HydrophobicContact CE2-CG1 4.44Å; Y315-F395 PolarHBondContact OH-O 3.49Å; Y315-F396 HydrophobicContact CD2-CD2 4.06Å; Y315-F396 HydrophobicContact CE2-CB 4.32Å; Y315-F396 HydrophobicContact CE2-CD2 4.02Å
316Y96.3Very high95.6Very high3 Ų311.9 Ų11.91%0.0126%0.058CC..Hα-helixtrans-60.5-51.5-177.6175.6-106.1000111.2M5 L8 I312 A318 L319 T320 W357 P360 A361M5-Y316 HydrophobicContact CE-CE1 4.34Å; L8-Y316 VanDerWaalsContact CD2-OH 3.28Å; L8-Y316 WeakPolarHBondContact CD2-OH 3.27Å; I312-Y316 VanDerWaalsContact O-CB 3.23Å; I312-Y316 WeakPolarHBondContact O-CB 3.25Å; I312-Y316 PolarHBondContact O-N 3.41Å; I312-Y316 VanDerWaalsContact O-N 3.09Å; Y316-A318 PolarHBondContact O-N 2.67Å; Y316-L319 PolarHBondContact O-N 2.99Å; Y316-T320 PolarHBondContact O-N 2.71Å; Y316-T320 PolarHBondContact O-OG1 3.05Å; Y316-W357 HydrophobicContact CE1-CE3 4.43Å; Y316-W357 PolarHBondContact OH-O 2.82Å; Y316-W357 VanDerWaalsContact OH-O 3.05Å; Y316-P360 HydrophobicContact CD2-CB 3.78Å; Y316-P360 HydrophobicContact CE2-CB 3.78Å; Y316-A361 HydrophobicContact CE2-CB 3.82Å
317F97Very high96Very high7 Ų76.7 Ų6.73%0.0314%0.039CC..Hα-helixtrans-72.9-28-176.6-68-79.2000113.5M5 L9 C266 M269 L313 Y315 S321M5-F317 HydrophobicContact CE-CE1 4.33Å; L9-F317 HydrophobicContact CD1-CE2 4.22Å; L9-F317 HydrophobicContact CD1-CZ 4.45Å; C266-F317 HydrophobicContact CB-CB 4.22Å; C266-F317 HydrophobicContact CB-CD1 4.38Å; C266-F317 WeakPolarHBondContact CB-O 3.47Å; M269-F317 HydrophobicContact CB-CD1 3.87Å; M269-F317 HydrophobicContact CB-CD2 3.7Å; M269-F317 HydrophobicContact CB-CE1 3.86Å; M269-F317 HydrophobicContact CB-CE2 3.71Å; M269-F317 HydrophobicContact CB-CG 3.78Å; M269-F317 HydrophobicContact CB-CZ 3.78Å; M269-F317 HydrophobicContact CE-CE2 4.47Å; M269-F317 HydrophobicContact CE-CZ 4.38Å; M269-F317 HydrophobicContact CG-CD1 4.16Å; M269-F317 HydrophobicContact CG-CE1 3.73Å; M269-F317 HydrophobicContact CG-CE2 4.16Å; M269-F317 HydrophobicContact CG-CZ 3.72Å; L313-F317 HydrophobicContact CD2-CD2 4.38Å; L313-F317 HydrophobicContact CD2-CE2 3.99Å; L313-F317 WeakPolarHBondContact O-CD2 3.29Å; Y315-F317 PolarHBondContact O-N 2.87Å; F317-S321 WeakPolarHBondContact O-CB 3.21Å; F317-S321 PolarHBondContact O-N 3.37Å
318A96.1Very high96.2Very high21 Ų216.7 Ų6.717%0.1744%0.039CC..Hα-helixtrans-62.8-52.6169.600000111Y270 R314 Y315 Y316 T320 S321 V322Y270-A318 HydrophobicContact CD2-CB 4.19Å; Y270-A318 HydrophobicContact CE2-CB 3.96Å; R314-A318 WeakPolarHBondContact O-CB 3.43Å; R314-A318 PolarHBondContact O-N 3.1Å; R314-A318 VanDerWaalsContact O-N 3.1Å; Y315-A318 PolarHBondContact O-N 3.39Å; Y316-A318 PolarHBondContact O-N 2.67Å; A318-T320 PolarHBondContact O-N 2.84Å; A318-S321 WeakPolarHBondContact O-CB 3.19Å; A318-S321 PolarHBondContact O-N 3.39Å; A318-S321 VanDerWaalsContact O-N 3.13Å; A318-V322 WeakPolarHBondContact O-CG2 3.38Å; A318-V322 PolarHBondContact O-N 3.49Å; A318-V322 VanDerWaalsContact O-N 3.07Å
319L96.5Very high96.5Very high3 Ų36.6 Ų6.62%0.0164%0.038CC..Hα-helixtrans-58.9-45.5176.9-76.5179.9000112Y315 Y316 S321 V322 V323 P360 L363 P399 I400Y315-L319 HydrophobicContact CD1-CD1 4.21Å; Y315-L319 HydrophobicContact CD2-CD1 4.37Å; Y315-L319 HydrophobicContact CE1-CD1 3.6Å; Y315-L319 HydrophobicContact CE2-CD1 3.77Å; Y315-L319 HydrophobicContact CE2-CG 4.36Å; Y315-L319 PolarHBondContact O-N 3.26Å; Y315-L319 VanDerWaalsContact O-N 3.09Å; Y316-L319 PolarHBondContact O-N 2.99Å; L319-S321 VanDerWaalsContact C-N 3.3Å; L319-S321 PolarHBondContact O-N 3.45Å; L319-V322 PolarHBondContact O-N 2.91Å; L319-V322 VanDerWaalsContact O-N 3.12Å; L319-V323 PolarHBondContact O-N 2.64Å; L319-V323 VanDerWaalsContact O-N 3.09Å; L319-P360 HydrophobicContact CB-CB 3.78Å; L319-P360 HydrophobicContact CB-CG 4.12Å; L319-L363 HydrophobicContact CD1-CB 4.06Å; L319-L363 HydrophobicContact CD1-CD1 3.97Å; L319-P399 HydrophobicContact CD2-CB 4.45Å; L319-I400 HydrophobicContact CD2-CD1 4.15Å; L319-I400 HydrophobicContact CD2-CG1 3.68Å
320T97.5Very high96.6Very high0 Ų07.7 Ų7.70%04%0.041CC..Hα-helixtrans-61.6-38.9175.8-510000112.3Y316 A318 V322 V323 W324 A356 W357 P360Y316-T320 PolarHBondContact O-N 2.71Å; Y316-T320 PolarHBondContact O-OG1 3.05Å; A318-T320 PolarHBondContact O-N 2.84Å; T320-V322 VanDerWaalsContact C-N 3.27Å; T320-V322 PolarHBondContact O-N 3.31Å; T320-V323 PolarHBondContact O-N 3.13Å; T320-W324 VanDerWaalsContact CG2-CD1 3.48Å; T320-W324 VanDerWaalsContact O-CD1 3.25Å; T320-W324 PolarHBondContact O-N 3.43Å; T320-A356 HydrophobicContact CG2-CB 4.47Å; T320-A356 WeakPolarHBondContact CG2-O 3.44Å; T320-W357 HydrophobicContact CG2-CD2 4.17Å; T320-W357 HydrophobicContact CG2-CE3 3.33Å; T320-W357 HydrophobicContact CG2-CH2 3.84Å; T320-W357 HydrophobicContact CG2-CZ3 3.13Å; T320-P360 WeakPolarHBondContact OG1-CB 3.24Å; T320-P360 WeakPolarHBondContact OG1-CG 3.33Å
321S97.5Very high96.7Very high1 Ų17.7 Ų7.71%0.0074%0.041CC..Hα-helixtrans-61.2-37.9175.6-174.40000112.1H267 F317 A318 L319 W324 W325 Y451H267-S321 PolarHBondContact CE1-OG 2.94Å; F317-S321 WeakPolarHBondContact O-CB 3.21Å; F317-S321 PolarHBondContact O-N 3.37Å; A318-S321 WeakPolarHBondContact O-CB 3.19Å; A318-S321 PolarHBondContact O-N 3.39Å; A318-S321 VanDerWaalsContact O-N 3.13Å; L319-S321 VanDerWaalsContact C-N 3.3Å; L319-S321 PolarHBondContact O-N 3.45Å; S321-W324 PolarHBondContact O-N 3.14Å; S321-W325 PolarHBondContact O-N 3.26Å; S321-Y451 WeakPolarHBondContact CB-OH 3.15Å; S321-Y451 PolarHBondContact O-OH 2.95Å; S321-Y451 WeakPolarHBondContact OG-CE2 3.41Å; S321-Y451 PolarHBondContact OG-OH 3.31Å
322V97.5Very high96.7Very high4 Ų47.8 Ų7.82%0.0244%0.041CC..Hα-helixtrans-66.3-41.7177.9174.80000110.3A318 L319 T320 W324 W325 L326 I400 L403 Y451A318-V322 WeakPolarHBondContact O-CG2 3.38Å; A318-V322 PolarHBondContact O-N 3.49Å; A318-V322 VanDerWaalsContact O-N 3.07Å; L319-V322 PolarHBondContact O-N 2.91Å; L319-V322 VanDerWaalsContact O-N 3.12Å; T320-V322 VanDerWaalsContact C-N 3.27Å; T320-V322 PolarHBondContact O-N 3.31Å; V322-W324 VanDerWaalsContact C-N 3.35Å; V322-W324 PolarHBondContact O-N 3.38Å; V322-W325 PolarHBondContact O-N 3.28Å; V322-L326 PolarHBondContact O-N 3.09Å; V322-I400 HydrophobicContact CG2-CG1 4.4Å; V322-I400 HydrophobicContact CG2-CG2 4.27Å; V322-L403 HydrophobicContact CG1-CB 3.66Å; V322-L403 HydrophobicContact CG1-CD1 3.97Å; V322-L403 HydrophobicContact CG1-CG 4.49Å; V322-Y451 WeakPolarHBondContact CA-OH 3.28Å; V322-Y451 HydrophobicContact CG2-CE1 4.37Å; V322-Y451 WeakPolarHBondContact CG2-OH 3.35Å; V322-Y451 PolarHBondContact N-OH 3.43Å; V322-Y451 VanDerWaalsContact N-OH 3.15Å
323V97.8Very high96.8Very high8 Ų89.8 Ų9.85%0.0485%0.049CC..Hα-helixtrans-64.6-38.5174-173.10000111.4L319 T320 W325 L326 I327 A356 P360 L403L319-V323 PolarHBondContact O-N 2.64Å; L319-V323 VanDerWaalsContact O-N 3.09Å; T320-V323 PolarHBondContact O-N 3.13Å; V323-W325 PolarHBondContact O-N 2.87Å; V323-L326 WeakPolarHBondContact O-CB 3.5Å; V323-L326 PolarHBondContact O-N 3.22Å; V323-I327 HydrophobicContact CG1-CD1 4.07Å; V323-I327 WeakPolarHBondContact O-CD1 3.37Å; V323-I327 WeakPolarHBondContact O-CG1 3.32Å; V323-I327 PolarHBondContact O-N 3.07Å; V323-A356 HydrophobicContact CB-CB 4.48Å; V323-A356 HydrophobicContact CG1-CB 4.07Å; V323-P360 HydrophobicContact CG2-CG 4.24Å; V323-L403 HydrophobicContact CG2-CD1 3.89Å
324W98.2Very high96.7Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-66-34.2173.6-80.4117.3000113.6P259 F262 I263 T320 S321 V322 I327 L328 F352 H353 A356 W357P259-W324 HydrophobicContact CB-CE3 3.99Å; P259-W324 HydrophobicContact CG-CE3 4.43Å; F262-W324 HydrophobicContact CB-CD2 3.54Å; F262-W324 VanDerWaalsContact CB-CE2 3.49Å; F262-W324 HydrophobicContact CB-CE3 4.16Å; F262-W324 HydrophobicContact CB-CG 3.73Å; F262-W324 HydrophobicContact CB-CZ2 4.14Å; F262-W324 HydrophobicContact CD2-CD2 4.07Å; F262-W324 AromaticContact CD2-CE3 3.88Å; F262-W324 HydrophobicContact CD2-CE3 3.88Å; F262-W324 AromaticContact CD2-CH2 3.73Å; F262-W324 HydrophobicContact CD2-CH2 3.73Å; F262-W324 AromaticContact CD2-CZ2 3.86Å; F262-W324 HydrophobicContact CD2-CZ2 3.86Å; F262-W324 AromaticContact CD2-CZ3 3.71Å; F262-W324 HydrophobicContact CD2-CZ3 3.71Å; F262-W324 HydrophobicContact CE2-CH2 4.15Å; F262-W324 HydrophobicContact CE2-CZ3 4.3Å; F262-W324 HydrophobicContact CG-CD2 4.12Å; F262-W324 AromaticContact CG-CE2 3.84Å; F262-W324 HydrophobicContact CG-CE3 4.41Å; F262-W324 HydrophobicContact CG-CH2 4.32Å; F262-W324 AromaticContact CG-CZ2 3.96Å; F262-W324 HydrophobicContact CG-CZ2 3.96Å; F262-W324 HydrophobicContact CG-CZ3 4.5Å; I263-W324 HydrophobicContact CD1-CB 4.41Å; I263-W324 HydrophobicContact CG1-CB 3.66Å; T320-W324 VanDerWaalsContact CG2-CD1 3.48Å; T320-W324 VanDerWaalsContact O-CD1 3.25Å; T320-W324 PolarHBondContact O-N 3.43Å; S321-W324 PolarHBondContact O-N 3.14Å; V322-W324 VanDerWaalsContact C-N 3.35Å; V322-W324 PolarHBondContact O-N 3.38Å; W324-I327 HydrophobicContact CD2-CD1 4.32Å; W324-I327 HydrophobicContact CE3-CB 4.23Å; W324-I327 HydrophobicContact CE3-CD1 3.77Å; W324-I327 HydrophobicContact CE3-CG2 4.25Å; W324-I327 HydrophobicContact CH2-CD1 4.34Å; W324-I327 HydrophobicContact CZ3-CB 4.5Å; W324-I327 HydrophobicContact CZ3-CD1 3.79Å; W324-I327 HydrophobicContact CZ3-CG2 4.11Å; W324-I327 PolarHBondContact O-N 3.28Å; W324-L328 WeakPolarHBondContact O-CB 3.28Å; W324-L328 PolarHBondContact O-N 3.43Å; W324-F352 HydrophobicContact CZ3-CB 4.45Å; W324-H353 AromaticContact CH2-CE1 3.2Å; W324-H353 WeakPolarHBondContact CH2-CE1 3.44Å; W324-H353 AromaticContact CH2-ND1 3.22Å; W324-H353 WeakPolarHBondContact CH2-ND1 3.47Å; W324-H353 AromaticContact CZ2-CE1 3.51Å; W324-H353 AromaticContact CZ2-ND1 3.27Å; W324-H353 VanDerWaalsContact CZ2-ND1 3.27Å; W324-H353 WeakPolarHBondContact CZ2-ND1 3.4Å; W324-A356 HydrophobicContact CD2-CB 3.94Å; W324-A356 HydrophobicContact CG-CB 4.37Å; W324-A356 HydrophobicContact CH2-CB 4.06Å; W324-A356 HydrophobicContact CZ2-CB 3.42Å; W324-A356 VanDerWaalsContact CZ2-CB 3.42Å; W324-W357 AromaticContact CE2-CZ2 3.94Å; W324-W357 AromaticContact CZ2-CZ2 3.99Å; W324-W357 HydrophobicContact CZ2-CZ2 3.99Å; W324-W357 AromaticContact NE1-CE2 3.87Å; W324-W357 AromaticContact NE1-CH2 3.44Å; W324-W357 AromaticContact NE1-CZ2 3.36Å
325W98.1Very high96.6Very high1 Ų19.9 Ų9.90%0.0045%0.053CC..Hα-helixtrans-69.7-36.4171.9170.192.6000112.2I263 S321 V322 V323 L328 T329 V408 M411 S448 Y451 F452I263-W325 HydrophobicContact CD1-CB 4.15Å; S321-W325 PolarHBondContact O-N 3.26Å; V322-W325 PolarHBondContact O-N 3.28Å; V323-W325 PolarHBondContact O-N 2.87Å; W325-L328 WeakPolarHBondContact O-CB 3.27Å; W325-L328 PolarHBondContact O-N 3.1Å; W325-T329 HydrophobicContact CD2-CG2 4.23Å; W325-T329 HydrophobicContact CH2-CG2 4.49Å; W325-T329 HydrophobicContact CZ2-CG2 3.94Å; W325-T329 WeakPolarHBondContact O-CG2 3.48Å; W325-T329 PolarHBondContact O-N 2.81Å; W325-T329 PolarHBondContact O-OG1 2.96Å; W325-V408 HydrophobicContact CH2-CG2 4.39Å; W325-M411 HydrophobicContact CZ2-SD 3.81Å; W325-S448 PolarHBondContact NE1-O 3.35Å; W325-Y451 HydrophobicContact CB-CD1 3.89Å; W325-Y451 HydrophobicContact CB-CD2 4Å; W325-Y451 HydrophobicContact CB-CE1 3.69Å; W325-Y451 HydrophobicContact CB-CE2 3.8Å; W325-Y451 HydrophobicContact CB-CG 4.11Å; W325-Y451 VanDerWaalsContact CD1-CB 3.43Å; W325-Y451 AromaticContact CD1-CD1 3.28Å; W325-Y451 AromaticContact CD1-CD2 3.67Å; W325-Y451 AromaticContact CD1-CG 3.14Å; W325-Y451 AromaticContact CD2-CD1 3.78Å; W325-Y451 HydrophobicContact CD2-CD1 3.78Å; W325-Y451 HydrophobicContact CD2-CE1 4.08Å; W325-Y451 HydrophobicContact CD2-CG 4.42Å; W325-Y451 AromaticContact CE2-CD1 3.92Å; W325-Y451 AromaticContact CG-CD1 3.38Å; W325-Y451 HydrophobicContact CG-CD1 3.38Å; W325-Y451 HydrophobicContact CG-CD2 4.03Å; W325-Y451 AromaticContact CG-CE1 3.66Å; W325-Y451 HydrophobicContact CG-CE1 3.66Å; W325-Y451 HydrophobicContact CG-CE2 4.27Å; W325-Y451 AromaticContact CG-CG 3.66Å; W325-Y451 HydrophobicContact CG-CG 3.66Å; W325-Y451 AromaticContact NE1-CD1 3.58Å; W325-Y451 AromaticContact NE1-CG 3.65Å; W325-F452 HydrophobicContact CH2-CD2 4.43Å; W325-F452 HydrophobicContact CZ2-CB 3.97Å
326L97.9Very high96.3Very high26 Ų2610.2 Ų10.214%0.1366%0.056CC..Hα-helixtrans-61.7-43.7170.9176.459.6000111.2V322 V323 L328 T329 M330 L403 V406 F410V322-L326 PolarHBondContact O-N 3.09Å; V323-L326 WeakPolarHBondContact O-CB 3.5Å; V323-L326 PolarHBondContact O-N 3.22Å; L326-L328 VanDerWaalsContact C-N 3.32Å; L326-L328 PolarHBondContact O-N 3.49Å; L326-T329 PolarHBondContact O-N 2.9Å; L326-T329 PolarHBondContact O-OG1 2.89Å; L326-M330 VanDerWaalsContact O-CB 3.28Å; L326-M330 WeakPolarHBondContact O-CB 3.36Å; L326-M330 PolarHBondContact O-N 3.37Å; L326-L403 HydrophobicContact CD2-CD2 3.64Å; L326-V406 HydrophobicContact CD1-CB 4.17Å; L326-V406 HydrophobicContact CD1-CG1 3.86Å; L326-F410 HydrophobicContact CD1-CD2 3.83Å; L326-F410 HydrophobicContact CD1-CE2 4Å
327I97.7Very high95.9Very high8 Ų811.3 Ų11.34%0.0417%0.068CC..Hα-helixtrans-64-37174.3-66.2157.4000111P259 V323 W324 T331 F352 A356P259-I327 HydrophobicContact CG-CG2 3.94Å; V323-I327 HydrophobicContact CG1-CD1 4.07Å; V323-I327 WeakPolarHBondContact O-CD1 3.37Å; V323-I327 WeakPolarHBondContact O-CG1 3.32Å; V323-I327 PolarHBondContact O-N 3.07Å; W324-I327 HydrophobicContact CD2-CD1 4.32Å; W324-I327 HydrophobicContact CE3-CB 4.23Å; W324-I327 HydrophobicContact CE3-CD1 3.77Å; W324-I327 HydrophobicContact CE3-CG2 4.25Å; W324-I327 HydrophobicContact CH2-CD1 4.34Å; W324-I327 HydrophobicContact CZ3-CB 4.5Å; W324-I327 HydrophobicContact CZ3-CD1 3.79Å; W324-I327 HydrophobicContact CZ3-CG2 4.11Å; W324-I327 PolarHBondContact O-N 3.28Å; I327-T331 HydrophobicContact CG2-CG2 4.13Å; I327-T331 WeakPolarHBondContact O-CB 3.28Å; I327-T331 VanDerWaalsContact O-CG2 3.27Å; I327-T331 WeakPolarHBondContact O-CG2 3.4Å; I327-T331 PolarHBondContact O-N 3.05Å; I327-T331 PolarHBondContact O-OG1 3.27Å; I327-F352 HydrophobicContact CD1-CB 4.03Å; I327-F352 WeakPolarHBondContact CD1-O 3.48Å; I327-F352 HydrophobicContact CG1-CB 4.47Å; I327-F352 HydrophobicContact CG2-CB 4.16Å; I327-F352 HydrophobicContact CG2-CD2 4.06Å; I327-F352 HydrophobicContact CG2-CG 4.01Å; I327-A356 HydrophobicContact CD1-CB 3.89Å
328L97.3Very high95.7Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-62.3-49.4175-176.660.3000111.9P256 P259 V260 I263 W324 W325 L326 T331 W332 I444 F447P256-L328 WeakPolarHBondContact O-CD1 3.28Å; P259-L328 HydrophobicContact CB-CB 3.91Å; P259-L328 HydrophobicContact CB-CD1 4.22Å; P259-L328 HydrophobicContact CG-CB 4.38Å; P259-L328 HydrophobicContact CG-CD1 4.35Å; V260-L328 HydrophobicContact CG2-CD1 4.15Å; V260-L328 HydrophobicContact CG2-CD2 3.95Å; I263-L328 HydrophobicContact CD1-CD2 4.23Å; W324-L328 WeakPolarHBondContact O-CB 3.28Å; W324-L328 PolarHBondContact O-N 3.43Å; W325-L328 WeakPolarHBondContact O-CB 3.27Å; W325-L328 PolarHBondContact O-N 3.1Å; L326-L328 VanDerWaalsContact C-N 3.32Å; L326-L328 PolarHBondContact O-N 3.49Å; L328-T331 PolarHBondContact O-OG1 3.09Å; L328-W332 WeakPolarHBondContact O-CB 3.28Å; L328-W332 PolarHBondContact O-N 3.49Å; L328-I444 HydrophobicContact CD1-CG2 3.84Å; L328-I444 HydrophobicContact CD2-CG2 4.35Å; L328-I444 HydrophobicContact CG-CG2 3.89Å; L328-F447 HydrophobicContact CD2-CD1 3.67Å; L328-F447 HydrophobicContact CD2-CE1 3.91Å
329T97.4Very high95.3Very high0 Ų026.3 Ų26.30%013%0.125CC..Hα-helixtrans-66.4-40.7-179.954.60000111.8W325 L326 Y333 M411W325-T329 HydrophobicContact CD2-CG2 4.23Å; W325-T329 HydrophobicContact CH2-CG2 4.49Å; W325-T329 HydrophobicContact CZ2-CG2 3.94Å; W325-T329 WeakPolarHBondContact O-CG2 3.48Å; W325-T329 PolarHBondContact O-N 2.81Å; W325-T329 PolarHBondContact O-OG1 2.96Å; L326-T329 PolarHBondContact O-N 2.9Å; L326-T329 PolarHBondContact O-OG1 2.89Å; T329-Y333 PolarHBondContact O-N 3.24Å; T329-M411 HydrophobicContact CG2-CG 3.52Å; T329-M411 HydrophobicContact CG2-SD 4.21Å
330M96.5Very high95.2Very high40 Ų4030.6 Ų30.620%0.19714%0.141CC..Hα-helixtrans-62.4-52.6173.7179.6-169.771.300112.2L326 W332 Y333 L334 F352 F410L326-M330 VanDerWaalsContact O-CB 3.28Å; L326-M330 WeakPolarHBondContact O-CB 3.36Å; L326-M330 PolarHBondContact O-N 3.37Å; M330-W332 VanDerWaalsContact C-N 3.28Å; M330-W332 PolarHBondContact O-N 3.32Å; M330-Y333 PolarHBondContact O-N 3.35Å; M330-Y333 VanDerWaalsContact O-N 3.13Å; M330-L334 HydrophobicContact CG-CD1 4.23Å; M330-L334 WeakPolarHBondContact O-CG 3.17Å; M330-L334 PolarHBondContact O-N 3.37Å; M330-F352 HydrophobicContact CE-CD1 3.89Å; M330-F352 HydrophobicContact CE-CE1 3.29Å; M330-F352 HydrophobicContact CE-CZ 3.67Å; M330-F410 HydrophobicContact CB-CD1 4.44Å; M330-F410 HydrophobicContact CB-CD2 3.98Å; M330-F410 HydrophobicContact CB-CE1 4.42Å; M330-F410 HydrophobicContact CB-CE2 3.94Å; M330-F410 HydrophobicContact CB-CG 4.24Å; M330-F410 HydrophobicContact CB-CZ 4.17Å; M330-F410 HydrophobicContact CG-CE1 4.12Å; M330-F410 HydrophobicContact CG-CE2 4.15Å; M330-F410 HydrophobicContact CG-CZ 3.9Å
331T96Very high94.9Very high0 Ų033.4 Ų33.40%016%0.16CC..Hα-helixtrans-66.4-31.6-177.954.20000112.4Y255 I327 L328 L334 A335 I345 F352Y255-T331 HydrophobicContact CD1-CG2 4.37Å; I327-T331 HydrophobicContact CG2-CG2 4.13Å; I327-T331 WeakPolarHBondContact O-CB 3.28Å; I327-T331 VanDerWaalsContact O-CG2 3.27Å; I327-T331 WeakPolarHBondContact O-CG2 3.4Å; I327-T331 PolarHBondContact O-N 3.05Å; I327-T331 PolarHBondContact O-OG1 3.27Å; L328-T331 PolarHBondContact O-OG1 3.09Å; T331-L334 PolarHBondContact O-N 3.49Å; T331-A335 WeakPolarHBondContact O-CB 3.34Å; T331-A335 PolarHBondContact O-N 3.43Å; T331-I345 HydrophobicContact CG2-CG2 3.54Å; T331-F352 HydrophobicContact CG2-CE2 3.84Å; T331-F352 HydrophobicContact CG2-CZ 4.12Å
332W95.4Very high94.6Very high1 Ų137 Ų370%0.00418%0.177CC..Hα-helixtrans-64.2-44.7169.1173.278.3000112.7L328 M330 A335 A336 M411 V415 M418 M441 I444 C445L328-W332 WeakPolarHBondContact O-CB 3.28Å; L328-W332 PolarHBondContact O-N 3.49Å; M330-W332 VanDerWaalsContact C-N 3.28Å; M330-W332 PolarHBondContact O-N 3.32Å; W332-A335 PolarHBondContact O-N 3.02Å; W332-A336 VanDerWaalsContact O-CB 3.25Å; W332-A336 WeakPolarHBondContact O-CB 3.49Å; W332-A336 PolarHBondContact O-N 3.01Å; W332-M411 WeakPolarHBondContact CH2-O 3.17Å; W332-M411 VanDerWaalsContact CZ3-O 3.26Å; W332-M411 WeakPolarHBondContact CZ3-O 3.21Å; W332-V415 HydrophobicContact CH2-CG2 3.93Å; W332-V415 VanDerWaalsContact CH2-N 3.28Å; W332-M418 HydrophobicContact CH2-CE 4.32Å; W332-M418 HydrophobicContact CZ2-CE 3.63Å; W332-M418 HydrophobicContact CZ2-SD 4.02Å; W332-M441 VanDerWaalsContact CD1-SD 3.54Å; W332-M441 PolarHBondContact NE1-O 2.98Å; W332-I444 HydrophobicContact CB-CG2 3.8Å; W332-I444 HydrophobicContact CD2-CG2 4.44Å; W332-I444 HydrophobicContact CG-CB 4.2Å; W332-I444 HydrophobicContact CG-CG2 3.67Å; W332-C445 HydrophobicContact CH2-CB 4.34Å; W332-C445 HydrophobicContact CZ2-CB 3.58Å
333Y95.2Very high94.4Very high46 Ų4643 Ų4318%0.1821%0.205CC..Hα-helixtrans-64.1-39.7172.8162.2-110.4000112.5T329 M330 A335 A336 G337 R338 F410 A413T329-Y333 PolarHBondContact O-N 3.24Å; M330-Y333 PolarHBondContact O-N 3.35Å; M330-Y333 VanDerWaalsContact O-N 3.13Å; Y333-A335 PolarHBondContact O-N 2.99Å; Y333-A336 PolarHBondContact O-N 3.3Å; Y333-G337 WeakPolarHBondContact O-CA 3.46Å; Y333-G337 PolarHBondContact O-N 3.1Å; Y333-R338 PolarHBondContact OH-NE 3.45Å; Y333-F410 AromaticContact CD1-CD1 3.63Å; Y333-F410 HydrophobicContact CD1-CD1 3.63Å; Y333-F410 AromaticContact CD1-CE1 3.94Å; Y333-F410 HydrophobicContact CD1-CE1 3.94Å; Y333-F410 HydrophobicContact CE1-CD1 4.35Å; Y333-F410 HydrophobicContact CE1-CE1 4.36Å; Y333-F410 HydrophobicContact CG-CD1 4.16Å; Y333-A413 HydrophobicContact CD2-CB 3.68Å; Y333-A413 HydrophobicContact CE2-CB 3.82Å; Y333-A413 HydrophobicContact CG-CB 4.24Å
334L94.7Very high94.3Very high25 Ų2544.3 Ų44.313%0.13122%0.217CC..Hα-helixtrans-62-44.1176.1-69.7172.5000111.6M330 T331 R338 K339 W340M330-L334 HydrophobicContact CG-CD1 4.23Å; M330-L334 WeakPolarHBondContact O-CG 3.17Å; M330-L334 PolarHBondContact O-N 3.37Å; T331-L334 PolarHBondContact O-N 3.49Å; L334-R338 HydrophobicContact CD2-CB 4.49Å; L334-R338 HydrophobicContact CD2-CG 4.28Å; L334-R338 CarbonylContact O-C 3.3Å; L334-R338 WeakPolarHBondContact O-CA 3.42Å; L334-R338 WeakPolarHBondContact O-CB 3.36Å; L334-R338 PolarHBondContact O-N 2.96Å; L334-R338 VanDerWaalsContact O-N 3.14Å; L334-K339 PolarHBondContact O-N 3.46Å; L334-K339 VanDerWaalsContact O-N 3.11Å; L334-W340 HydrophobicContact CB-CB 4.34Å; L334-W340 HydrophobicContact CB-CD2 4.21Å; L334-W340 HydrophobicContact CB-CE3 4.32Å; L334-W340 HydrophobicContact CB-CG 4.23Å; L334-W340 HydrophobicContact CD1-CE3 3.98Å; L334-W340 HydrophobicContact CD1-CZ3 3.99Å; L334-W340 HydrophobicContact CD2-CD2 4.23Å; L334-W340 HydrophobicContact CD2-CE3 4.48Å; L334-W340 HydrophobicContact CD2-CZ2 4.32Å; L334-W340 HydrophobicContact CG-CE3 4.5Å; L334-W340 PolarHBondContact O-N 3.16Å; L334-W340 VanDerWaalsContact O-N 3.11Å
335A92.5Very high94.2Very high14 Ų1444.4 Ų44.412%0.11622%0.217CC..Hα-helixtrans-68.8-42.5177.100000112.7P256 T331 W332 Y333 K339 I345 M441P256-A335 HydrophobicContact CG-CB 4.16Å; T331-A335 WeakPolarHBondContact O-CB 3.34Å; T331-A335 PolarHBondContact O-N 3.43Å; W332-A335 PolarHBondContact O-N 3.02Å; Y333-A335 PolarHBondContact O-N 2.99Å; A335-K339 WeakPolarHBondContact O-CA 3.21Å; A335-I345 HydrophobicContact CB-CD1 3.99Å; A335-M441 HydrophobicContact CB-CE 3.36Å
336A89.4Confident94Very high7 Ų746.1 Ų46.16%0.05823%0.231CC..Hα-helixtrans-82.8-40.8-176.100000114W332 Y333 M418 I421 M441W332-A336 VanDerWaalsContact O-CB 3.25Å; W332-A336 WeakPolarHBondContact O-CB 3.49Å; W332-A336 PolarHBondContact O-N 3.01Å; Y333-A336 PolarHBondContact O-N 3.3Å; A336-M418 HydrophobicContact CB-CG 4.45Å; A336-I421 WeakPolarHBondContact O-CD1 3.23Å; A336-M441 HydrophobicContact CB-CE 4.36Å; A336-M441 HydrophobicContact CB-SD 4.45Å
337G88.3Confident93.9Very high25 Ų2555.4 Ų55.426%0.25827%0.265SS..Hα-helixtrans-96.5-36.9-174.900000114.5Y333 S417Y333-G337 WeakPolarHBondContact O-CA 3.46Å; Y333-G337 PolarHBondContact O-N 3.1Å; G337-S417 VanDerWaalsContact CA-CB 3.47Å; G337-S417 VanDerWaalsContact CA-OG 3.23Å; G337-S417 WeakPolarHBondContact CA-OG 3.39Å
338R91.6Very high93.8Very high163 Ų16358.5 Ų58.562%0.61528%0.279SS*.SBendtrans-101.20.3179.4-60.7-62.2-174.2130.2-1.6113.7Y333 L334 W340Y333-R338 PolarHBondContact OH-NE 3.45Å; L334-R338 HydrophobicContact CD2-CB 4.49Å; L334-R338 HydrophobicContact CD2-CG 4.28Å; L334-R338 CarbonylContact O-C 3.3Å; L334-R338 WeakPolarHBondContact O-CA 3.42Å; L334-R338 WeakPolarHBondContact O-CB 3.36Å; L334-R338 PolarHBondContact O-N 2.96Å; L334-R338 VanDerWaalsContact O-N 3.14Å; R338-W340 HydrophobicContact CB-CG 4.46Å; R338-W340 PolarHBondContact O-N 3.23Å
339K89.5Confident93.6Very high180 Ų18059.9 Ų59.978%0.78329%0.288SS*.  trans56.230.5180-55.9178.6179.5176.50113.6L334 A335L334-K339 PolarHBondContact O-N 3.46Å; L334-K339 VanDerWaalsContact O-N 3.11Å; A335-K339 WeakPolarHBondContact O-CA 3.21Å
340W92.9Very high93.5Very high94 Ų9464 Ų6436%0.35632%0.317SS..  trans-66.8137.2177.7-77.124.4000111.1L334 R338 A344 I345 H348L334-W340 HydrophobicContact CB-CB 4.34Å; L334-W340 HydrophobicContact CB-CD2 4.21Å; L334-W340 HydrophobicContact CB-CE3 4.32Å; L334-W340 HydrophobicContact CB-CG 4.23Å; L334-W340 HydrophobicContact CD1-CE3 3.98Å; L334-W340 HydrophobicContact CD1-CZ3 3.99Å; L334-W340 HydrophobicContact CD2-CD2 4.23Å; L334-W340 HydrophobicContact CD2-CE3 4.48Å; L334-W340 HydrophobicContact CD2-CZ2 4.32Å; L334-W340 HydrophobicContact CG-CE3 4.5Å; L334-W340 PolarHBondContact O-N 3.16Å; L334-W340 VanDerWaalsContact O-N 3.11Å; R338-W340 HydrophobicContact CB-CG 4.46Å; R338-W340 PolarHBondContact O-N 3.23Å; W340-A344 HydrophobicContact CB-CB 4.35Å; W340-A344 HydrophobicContact CE3-CB 4.34Å; W340-I345 HydrophobicContact CB-CD1 4.27Å; W340-I345 HydrophobicContact CB-CG1 3.98Å; W340-I345 HydrophobicContact CE3-CG1 3.94Å; W340-H348 AromaticContact CH2-CE1 3.83Å; W340-H348 AromaticContact CZ3-CE1 3.66Å; W340-H348 AromaticContact CZ3-ND1 3.71Å
341S91.1Very high93.4Very high58 Ų5866.4 Ų66.441%0.40633%0.329SS..  trans-73.6169.8174.285.60000111.7E343 A344 I345S341-E343 WeakPolarHBondContact CB-OE2 3.28Å; S341-E343 PolarHBondContact O-N 2.81Å; S341-E343 PolarHBondContact OG-N 3.37Å; S341-E343 PolarHBondContact OG-OE2 3.4Å; S341-A344 PolarHBondContact O-N 2.85Å; S341-A344 PolarHBondContact OG-N 3.28Å; S341-I345 WeakPolarHBondContact O-CG1 2.99Å; S341-I345 PolarHBondContact O-N 2.93Å
342Q91.8Very high93.5Very high78 Ų7866.6 Ų66.636%0.36433%0.33SS..Hα-helixtrans-65.6-34.2179.8-54.2-170.59.200111Y255 A346Y255-Q342 VanDerWaalsContact O-CG 3.22Å; Y255-Q342 WeakPolarHBondContact O-CG 3.25Å; Q342-A346 VanDerWaalsContact O-CB 3.23Å; Q342-A346 WeakPolarHBondContact O-CB 3.38Å; Q342-A346 PolarHBondContact O-N 2.88Å
343E93.2Very high93.5Very high129 Ų12967.9 Ų67.960%0.60334%0.336SS*.Hα-helixtrans-70.2-43.7177.8-52.868.6-14500111.2S341 I345 A346 R347S341-E343 WeakPolarHBondContact CB-OE2 3.28Å; S341-E343 PolarHBondContact O-N 2.81Å; S341-E343 PolarHBondContact OG-N 3.37Å; S341-E343 PolarHBondContact OG-OE2 3.4Å; E343-I345 VanDerWaalsContact C-N 3.31Å; E343-I345 PolarHBondContact O-N 2.86Å; E343-A346 PolarHBondContact O-N 3.46Å; E343-A346 VanDerWaalsContact O-N 3.15Å; E343-R347 PolarHBondContact O-N 2.76Å
344A95.4Very high93.5Very high36 Ų3671.1 Ų71.130%0.29836%0.355SS..Hα-helixtrans-61-40177.200000112W340 S341 H348W340-A344 HydrophobicContact CB-CB 4.35Å; W340-A344 HydrophobicContact CE3-CB 4.34Å; S341-A344 PolarHBondContact O-N 2.85Å; S341-A344 PolarHBondContact OG-N 3.28Å; A344-H348 PolarHBondContact O-ND1 2.86Å
345I95.6Very high93.5Very high1 Ų173.5 Ų73.51%0.00537%0.367CS..Hα-helixtrans-70.1-44172.7-62170.4000110.5Y255 P256 T331 A335 W340 S341 E343 R347 H348 F352Y255-I345 HydrophobicContact CD1-CG2 3.65Å; Y255-I345 HydrophobicContact CD2-CG2 4.45Å; Y255-I345 HydrophobicContact CE1-CG2 4.4Å; Y255-I345 HydrophobicContact CG-CB 4.43Å; Y255-I345 HydrophobicContact CG-CG2 3.68Å; P256-I345 HydrophobicContact CB-CD1 4.41Å; T331-I345 HydrophobicContact CG2-CG2 3.54Å; A335-I345 HydrophobicContact CB-CD1 3.99Å; W340-I345 HydrophobicContact CB-CD1 4.27Å; W340-I345 HydrophobicContact CB-CG1 3.98Å; W340-I345 HydrophobicContact CE3-CG1 3.94Å; S341-I345 WeakPolarHBondContact O-CG1 2.99Å; S341-I345 PolarHBondContact O-N 2.93Å; E343-I345 VanDerWaalsContact C-N 3.31Å; E343-I345 PolarHBondContact O-N 2.86Å; I345-R347 VanDerWaalsContact C-N 3.27Å; I345-R347 PolarHBondContact O-N 3.19Å; I345-H348 PolarHBondContact O-N 2.84Å; I345-H348 VanDerWaalsContact O-N 3.07Å; I345-F352 HydrophobicContact CG2-CE2 3.95Å
346A94.5Very high93.7Very high37 Ų3772.8 Ų72.831%0.30636%0.362SS..Hα-helixtrans-60.9-31.8-17900000113.5Y255 Q342 E343 H348 S349Y255-A346 HydrophobicContact CD2-CB 3.96Å; Y255-A346 HydrophobicContact CE2-CB 4.46Å; Q342-A346 VanDerWaalsContact O-CB 3.23Å; Q342-A346 WeakPolarHBondContact O-CB 3.38Å; Q342-A346 PolarHBondContact O-N 2.88Å; E343-A346 PolarHBondContact O-N 3.46Å; E343-A346 VanDerWaalsContact O-N 3.15Å; A346-H348 PolarHBondContact O-N 3.29Å; A346-H348 VanDerWaalsContact O-N 3.13Å; A346-S349 WeakPolarHBondContact O-CB 3.03Å; A346-S349 PolarHBondContact O-N 3.42Å; A346-S349 PolarHBondContact O-OG 3.39Å
347R95.8Very high94.1Very high222 Ų22274 Ų7484%0.83837%0.365SS*.THydrogen-bonded Turntrans-56.5-25.9174.4-171.5174.7-179.8177.50.2113.4E343 I345E343-R347 PolarHBondContact O-N 2.76Å; I345-R347 VanDerWaalsContact C-N 3.27Å; I345-R347 PolarHBondContact O-N 3.19Å
348H95.1Very high94.3Very high73 Ų7375.5 Ų75.534%0.33837%0.374SS..THydrogen-bonded Turntrans-95.71.8-179.9-61.586.5000113.5W340 A344 I345 A346 S350 M351 F352W340-H348 AromaticContact CH2-CE1 3.83Å; W340-H348 AromaticContact CZ3-CE1 3.66Å; W340-H348 AromaticContact CZ3-ND1 3.71Å; A344-H348 PolarHBondContact O-ND1 2.86Å; I345-H348 PolarHBondContact O-N 2.84Å; I345-H348 VanDerWaalsContact O-N 3.07Å; A346-H348 PolarHBondContact O-N 3.29Å; A346-H348 VanDerWaalsContact O-N 3.13Å; H348-S350 VanDerWaalsContact C-N 3.32Å; H348-S350 PolarHBondContact O-N 3.43Å; H348-M351 PolarHBondContact O-N 2.95Å; H348-M351 VanDerWaalsContact O-N 3.1Å; H348-F352 HydrophobicContact CB-CE1 3.87Å; H348-F352 HydrophobicContact CB-CE2 3.99Å; H348-F352 HydrophobicContact CB-CZ 3.5Å; H348-F352 VanDerWaalsContact CB-CZ 3.5Å; H348-F352 PolarHBondContact O-N 3.14Å
349S94Very high94.4Very high29 Ų2972.3 Ų72.320%0.20337%0.369CS..Hα-helixtrans-59.9-33.8-171.558.40000115Y255 A346 M351 F352 H353Y255-S349 WeakPolarHBondContact OH-CB 3.37Å; A346-S349 WeakPolarHBondContact O-CB 3.03Å; A346-S349 PolarHBondContact O-N 3.42Å; A346-S349 PolarHBondContact O-OG 3.39Å; S349-M351 VanDerWaalsContact C-N 3.34Å; S349-M351 PolarHBondContact O-N 3.22Å; S349-F352 PolarHBondContact O-N 3.09Å; S349-H353 PolarHBondContact O-CD2 3.37Å; S349-H353 PolarHBondContact O-N 3Å
350S95.1Very high94.7Very high85 Ų8563.8 Ų63.859%0.59433%0.332SS*.Hα-helixtrans-60.8-42175.8-52.90000112.2H348 H353 I354H348-S350 VanDerWaalsContact C-N 3.32Å; H348-S350 PolarHBondContact O-N 3.43Å; S350-H353 PolarHBondContact O-N 2.93Å; S350-I354 WeakPolarHBondContact O-CG1 3.36Å; S350-I354 PolarHBondContact O-N 3.01Å
351M95.2Very high94.8Very high91 Ų9160.1 Ų60.145%0.44832%0.322SS..Hα-helixtrans-67.5-41177.7177.8-90.8-8400111.2H348 S349 H353 I354 L355H348-M351 PolarHBondContact O-N 2.95Å; H348-M351 VanDerWaalsContact O-N 3.1Å; S349-M351 VanDerWaalsContact C-N 3.34Å; S349-M351 PolarHBondContact O-N 3.22Å; M351-H353 VanDerWaalsContact C-N 3.28Å; M351-H353 PolarHBondContact O-N 2.9Å; M351-I354 PolarHBondContact O-N 3.06Å; M351-L355 HydrophobicContact CG-CD1 4.43Å; M351-L355 WeakPolarHBondContact O-CG 3.21Å; M351-L355 PolarHBondContact O-N 3.45Å; M351-L355 HydrophobicContact SD-CD1 3.48Å; M351-L355 WeakPolarHBondContact SD-CD1 3.31Å; M351-L355 HydrophobicContact SD-CG 4.14Å
352F96.5Very high94.9Very high5 Ų559 Ų592%0.02232%0.319CS..Hα-helixtrans-58.6-40.3173.8-56.1-21.6000111.9Y255 W324 I327 M330 T331 I345 H348 S349 A356Y255-F352 HydrophobicContact CE1-CD2 4.04Å; Y255-F352 HydrophobicContact CE1-CE2 4.31Å; W324-F352 HydrophobicContact CZ3-CB 4.45Å; I327-F352 HydrophobicContact CD1-CB 4.03Å; I327-F352 WeakPolarHBondContact CD1-O 3.48Å; I327-F352 HydrophobicContact CG1-CB 4.47Å; I327-F352 HydrophobicContact CG2-CB 4.16Å; I327-F352 HydrophobicContact CG2-CD2 4.06Å; I327-F352 HydrophobicContact CG2-CG 4.01Å; M330-F352 HydrophobicContact CE-CD1 3.89Å; M330-F352 HydrophobicContact CE-CE1 3.29Å; M330-F352 HydrophobicContact CE-CZ 3.67Å; T331-F352 HydrophobicContact CG2-CE2 3.84Å; T331-F352 HydrophobicContact CG2-CZ 4.12Å; I345-F352 HydrophobicContact CG2-CE2 3.95Å; H348-F352 HydrophobicContact CB-CE1 3.87Å; H348-F352 HydrophobicContact CB-CE2 3.99Å; H348-F352 HydrophobicContact CB-CZ 3.5Å; H348-F352 VanDerWaalsContact CB-CZ 3.5Å; H348-F352 PolarHBondContact O-N 3.14Å; S349-F352 PolarHBondContact O-N 3.09Å; F352-A356 VanDerWaalsContact O-CB 3.22Å; F352-A356 WeakPolarHBondContact O-CB 3.04Å; F352-A356 PolarHBondContact O-N 2.83Å
353H95.9Very high95Very high27 Ų2757.4 Ų57.413%0.12531%0.313CS..Hα-helixtrans-67.1-43175.8-80.6-53.8000113.4M1 F262 W324 S349 S350 M351 W357M1-H353 WeakPolarHBondContact CE-CE1 3.43Å; M1-H353 WeakPolarHBondContact CE-NE2 3.42Å; F262-H353 AromaticContact CD2-CE1 3.98Å; F262-H353 AromaticContact CE1-CE1 3.94Å; F262-H353 AromaticContact CE2-CE1 3.39Å; F262-H353 WeakPolarHBondContact CE2-CE1 3.22Å; F262-H353 AromaticContact CE2-NE2 3.85Å; F262-H353 AromaticContact CZ-CE1 3.38Å; F262-H353 WeakPolarHBondContact CZ-CE1 3.44Å; F262-H353 AromaticContact CZ-NE2 3.82Å; W324-H353 AromaticContact CH2-CE1 3.2Å; W324-H353 WeakPolarHBondContact CH2-CE1 3.44Å; W324-H353 AromaticContact CH2-ND1 3.22Å; W324-H353 WeakPolarHBondContact CH2-ND1 3.47Å; W324-H353 AromaticContact CZ2-CE1 3.51Å; W324-H353 AromaticContact CZ2-ND1 3.27Å; W324-H353 VanDerWaalsContact CZ2-ND1 3.27Å; W324-H353 WeakPolarHBondContact CZ2-ND1 3.4Å; S349-H353 PolarHBondContact O-CD2 3.37Å; S349-H353 PolarHBondContact O-N 3Å; S350-H353 PolarHBondContact O-N 2.93Å; M351-H353 VanDerWaalsContact C-N 3.28Å; M351-H353 PolarHBondContact O-N 2.9Å; H353-W357 AromaticContact ND1-NE1 3.49Å; H353-W357 PolarHBondContact ND1-NE1 3.05Å; H353-W357 PolarHBondContact O-N 3.46Å; H353-W357 VanDerWaalsContact O-N 3.16Å
354I95.8Very high95Very high115 Ų11551.3 Ų51.359%0.5929%0.285SS*.Hα-helixtrans-60.5-51.9177.6-68.3163.3000110S350 M351 A356 W357 A358S350-I354 WeakPolarHBondContact O-CG1 3.36Å; S350-I354 PolarHBondContact O-N 3.01Å; M351-I354 PolarHBondContact O-N 3.06Å; I354-A356 PolarHBondContact O-N 3.43Å; I354-W357 PolarHBondContact O-N 3.22Å; I354-A358 WeakPolarHBondContact O-CB 3.37Å; I354-A358 PolarHBondContact O-N 3.01Å
355L94.8Very high94.8Very high74 Ų7452.9 Ų52.939%0.38729%0.29SS..Hα-helixtrans-61.2-44.2-179.7-65.9-178.2000112.5M351 W357 L359M351-L355 HydrophobicContact CG-CD1 4.43Å; M351-L355 WeakPolarHBondContact O-CG 3.21Å; M351-L355 PolarHBondContact O-N 3.45Å; M351-L355 HydrophobicContact SD-CD1 3.48Å; M351-L355 WeakPolarHBondContact SD-CD1 3.31Å; M351-L355 HydrophobicContact SD-CG 4.14Å; L355-W357 PolarHBondContact O-N 3.3Å; L355-L359 HydrophobicContact CB-CD1 4.28Å; L355-L359 HydrophobicContact CD2-CD1 4.19Å; L355-L359 WeakPolarHBondContact O-CB 3.28Å; L355-L359 WeakPolarHBondContact O-CG 3.13Å; L355-L359 PolarHBondContact O-N 2.82Å
356A96.4Very high94.6Very high0 Ų056.7 Ų56.70%031%0.31CS..Hα-helixtrans-66.5-35-176.600000113.9T320 V323 W324 I327 F352 I354 P360T320-A356 HydrophobicContact CG2-CB 4.47Å; T320-A356 WeakPolarHBondContact CG2-O 3.44Å; V323-A356 HydrophobicContact CB-CB 4.48Å; V323-A356 HydrophobicContact CG1-CB 4.07Å; W324-A356 HydrophobicContact CD2-CB 3.94Å; W324-A356 HydrophobicContact CG-CB 4.37Å; W324-A356 HydrophobicContact CH2-CB 4.06Å; W324-A356 HydrophobicContact CZ2-CB 3.42Å; W324-A356 VanDerWaalsContact CZ2-CB 3.42Å; I327-A356 HydrophobicContact CD1-CB 3.89Å; F352-A356 VanDerWaalsContact O-CB 3.22Å; F352-A356 WeakPolarHBondContact O-CB 3.04Å; F352-A356 PolarHBondContact O-N 2.83Å; I354-A356 PolarHBondContact O-N 3.43Å; A356-P360 WeakPolarHBondContact O-CD 3.36Å; A356-P360 VanDerWaalsContact O-CG 3.29Å; A356-P360 WeakPolarHBondContact O-CG 3.05Å
357W96.6Very high94.4Very high33 Ų3354.9 Ų54.913%0.12530%0.295CS..Hα-helixtrans-94.4-34-178-58.3124.1000113.5M5 F262 L265 Y316 T320 W324 H353 I354 L355 A361M5-W357 HydrophobicContact CE-CD2 3.8Å; M5-W357 HydrophobicContact CE-CE3 3.27Å; M5-W357 HydrophobicContact CE-CH2 3.9Å; M5-W357 HydrophobicContact CE-CZ2 4.31Å; M5-W357 HydrophobicContact CE-CZ3 3.32Å; M5-W357 HydrophobicContact SD-CD2 4.09Å; M5-W357 HydrophobicContact SD-CE3 3.79Å; M5-W357 HydrophobicContact SD-CH2 3.23Å; M5-W357 WeakPolarHBondContact SD-CH2 3.31Å; M5-W357 HydrophobicContact SD-CZ2 3.5Å; M5-W357 VanDerWaalsContact SD-CZ2 3.5Å; M5-W357 HydrophobicContact SD-CZ3 3.35Å; M5-W357 WeakPolarHBondContact SD-CZ3 3.35Å; F262-W357 HydrophobicContact CD1-CZ2 4.29Å; L265-W357 HydrophobicContact CD2-CH2 4.44Å; Y316-W357 HydrophobicContact CE1-CE3 4.43Å; Y316-W357 PolarHBondContact OH-O 2.82Å; Y316-W357 VanDerWaalsContact OH-O 3.05Å; T320-W357 HydrophobicContact CG2-CD2 4.17Å; T320-W357 HydrophobicContact CG2-CE3 3.33Å; T320-W357 HydrophobicContact CG2-CH2 3.84Å; T320-W357 HydrophobicContact CG2-CZ3 3.13Å; W324-W357 AromaticContact CE2-CZ2 3.94Å; W324-W357 AromaticContact CZ2-CZ2 3.99Å; W324-W357 HydrophobicContact CZ2-CZ2 3.99Å; W324-W357 AromaticContact NE1-CE2 3.87Å; W324-W357 AromaticContact NE1-CH2 3.44Å; W324-W357 AromaticContact NE1-CZ2 3.36Å; H353-W357 AromaticContact ND1-NE1 3.49Å; H353-W357 PolarHBondContact ND1-NE1 3.05Å; H353-W357 PolarHBondContact O-N 3.46Å; H353-W357 VanDerWaalsContact O-N 3.16Å; I354-W357 PolarHBondContact O-N 3.22Å; L355-W357 PolarHBondContact O-N 3.3Å; W357-A361 WeakPolarHBondContact O-CB 3.47Å
358A94.3Very high94Very high55 Ų5544.7 Ų44.746%0.45526%0.257SS..Hα-helixtrans-82.3-41.3-174.600000113.6I354 A361 G362I354-A358 WeakPolarHBondContact O-CB 3.37Å; I354-A358 PolarHBondContact O-N 3.01Å; A358-A361 PolarHBondContact O-N 3.14Å; A358-A361 VanDerWaalsContact O-N 3.15Å; A358-G362 PolarHBondContact O-N 3.36Å
359L93.2Very high93.6Very high96 Ų9646.3 Ų46.350%0.50327%0.272SS..Hα-helixtrans-61.1-46.3-179.5-65.4172000112.1L355 A361 L363L355-L359 HydrophobicContact CB-CD1 4.28Å; L355-L359 HydrophobicContact CD2-CD1 4.19Å; L355-L359 WeakPolarHBondContact O-CB 3.28Å; L355-L359 WeakPolarHBondContact O-CG 3.13Å; L355-L359 PolarHBondContact O-N 2.82Å; L359-A361 VanDerWaalsContact C-N 3.31Å; L359-A361 PolarHBondContact O-N 2.87Å; L359-L363 PolarHBondContact O-N 3.04Å
360P95.7Very high93.1Very high2 Ų248 Ų481%0.01328%0.281CS..Hα-helixtrans-66.9-30.3174.3-23.838.6000113.3Y316 L319 T320 V323 A356 T364Y316-P360 HydrophobicContact CD2-CB 3.78Å; Y316-P360 HydrophobicContact CE2-CB 3.78Å; L319-P360 HydrophobicContact CB-CB 3.78Å; L319-P360 HydrophobicContact CB-CG 4.12Å; T320-P360 WeakPolarHBondContact OG1-CB 3.24Å; T320-P360 WeakPolarHBondContact OG1-CG 3.33Å; V323-P360 HydrophobicContact CG2-CG 4.24Å; A356-P360 WeakPolarHBondContact O-CD 3.36Å; A356-P360 VanDerWaalsContact O-CG 3.29Å; A356-P360 WeakPolarHBondContact O-CG 3.05Å; P360-T364 WeakPolarHBondContact O-CB 3.43Å; P360-T364 PolarHBondContact O-N 2.99Å; P360-T364 PolarHBondContact O-OG1 3.33Å
361A95Very high92.6Very high16 Ų1648.4 Ų48.413%0.13227%0.273CS..Hα-helixtrans-67.3-46.5179.500000110.5Y316 W357 A358 L359 L363 T364 V365Y316-A361 HydrophobicContact CE2-CB 3.82Å; W357-A361 WeakPolarHBondContact O-CB 3.47Å; A358-A361 PolarHBondContact O-N 3.14Å; A358-A361 VanDerWaalsContact O-N 3.15Å; L359-A361 VanDerWaalsContact C-N 3.31Å; L359-A361 PolarHBondContact O-N 2.87Å; A361-L363 PolarHBondContact O-N 3.42Å; A361-T364 PolarHBondContact O-N 2.69Å; A361-T364 VanDerWaalsContact O-N 3.13Å; A361-V365 WeakPolarHBondContact O-CG2 3.2Å; A361-V365 PolarHBondContact O-N 2.03Å
362G93.8Very high92.1Very high34 Ų3445.7 Ų45.735%0.35126%0.26SS..Hα-helixtrans-57.4-48.2174.600000112.3A358 T364 V365 I366A358-G362 PolarHBondContact O-N 3.36Å; G362-T364 VanDerWaalsContact C-N 3.28Å; G362-T364 PolarHBondContact O-N 2.93Å; G362-V365 PolarHBondContact O-N 2.88Å; G362-I366 VanDerWaalsContact O-CG1 3.31Å; G362-I366 WeakPolarHBondContact O-CG1 3.38Å; G362-I366 PolarHBondContact O-N 2.02Å
363L92.9Very high91.7Very high45 Ų4545.5 Ų45.524%0.23626%0.259CS..Hα-helixtrans-62.8-31.3175.8-70.8175.5000113.3Y315 L319 L359 A361 V367 F395 P399Y315-L363 HydrophobicContact CE1-CB 4.49Å; Y315-L363 PolarHBondContact OH-O 3.28Å; L319-L363 HydrophobicContact CD1-CB 4.06Å; L319-L363 HydrophobicContact CD1-CD1 3.97Å; L359-L363 PolarHBondContact O-N 3.04Å; A361-L363 PolarHBondContact O-N 3.42Å; L363-V367 WeakPolarHBondContact O-CG2 3.33Å; L363-V367 PolarHBondContact O-N 3.09Å; L363-F395 HydrophobicContact CD2-CD1 4.49Å; L363-P399 HydrophobicContact CD1-CB 4.06Å; L363-P399 HydrophobicContact CD1-CG 4.2Å
364T93.6Very high91.4Very high2 Ų245.7 Ų45.71%0.01226%0.26CS..Hα-helixtrans-71.6-43176.1-54.80000111.1F311 I312 Y315 P360 A361 G362 I366 V367 M368F311-T364 HydrophobicContact CE1-CG2 4Å; I312-T364 HydrophobicContact CG1-CG2 4.41Å; Y315-T364 HydrophobicContact CD1-CG2 4.22Å; Y315-T364 WeakPolarHBondContact CD1-OG1 3.47Å; P360-T364 WeakPolarHBondContact O-CB 3.43Å; P360-T364 PolarHBondContact O-N 2.99Å; P360-T364 PolarHBondContact O-OG1 3.33Å; A361-T364 PolarHBondContact O-N 2.69Å; A361-T364 VanDerWaalsContact O-N 3.13Å; G362-T364 VanDerWaalsContact C-N 3.28Å; G362-T364 PolarHBondContact O-N 2.93Å; T364-I366 PolarHBondContact O-N 3.33Å; T364-V367 PolarHBondContact O-N 3.46Å; T364-M368 WeakPolarHBondContact O-CG 3.35Å; T364-M368 PolarHBondContact O-N 2.73Å; T364-M368 VanDerWaalsContact O-N 3.11Å
365V92Very high91.1Very high69 Ų6940.5 Ų40.542%0.41823%0.234SC..Hα-helixtrans-62.7-42.5176.1173.20000111.1L12 A361 G362 M368 V369L12-V365 HydrophobicContact CD2-CG2 4.48Å; A361-V365 WeakPolarHBondContact O-CG2 3.2Å; A361-V365 PolarHBondContact O-N 2.03Å; G362-V365 PolarHBondContact O-N 2.88Å; V365-M368 PolarHBondContact O-N 3.09Å; V365-V369 HydrophobicContact CG1-CG2 4.24Å; V365-V369 WeakPolarHBondContact O-CG2 3.29Å; V365-V369 PolarHBondContact O-N 2.81Å
366I90.3Very high90.9Very high80 Ų8038.2 Ų38.241%0.4122%0.222SC..Hα-helixtrans-61.8-46179-67.1163000111.8G362 T364 M368 V369 T370 F395G362-I366 VanDerWaalsContact O-CG1 3.31Å; G362-I366 WeakPolarHBondContact O-CG1 3.38Å; G362-I366 PolarHBondContact O-N 2.02Å; T364-I366 PolarHBondContact O-N 3.33Å; I366-M368 VanDerWaalsContact C-N 3.3Å; I366-M368 PolarHBondContact O-N 3.4Å; I366-V369 PolarHBondContact O-N 2.74Å; I366-T370 PolarHBondContact O-N 2.96Å; I366-T370 PolarHBondContact O-OG1 2.81Å; I366-F395 HydrophobicContact CG2-CD1 4.27Å; I366-F395 HydrophobicContact CG2-CE1 3.57Å; I366-F395 HydrophobicContact CG2-CE2 4.33Å; I366-F395 HydrophobicContact CG2-CZ 3.61Å
367V89.4Confident90.5Very high0 Ų038.8 Ų38.80%023%0.225CC..Hα-helixtrans-62.7-38.5177.3171.30000111.7F311 Y315 L363 T364 T370 H371 V373 I384 F395F311-V367 HydrophobicContact CE1-CG1 4.35Å; F311-V367 HydrophobicContact CE2-CG1 3.92Å; F311-V367 HydrophobicContact CZ-CB 4.04Å; F311-V367 HydrophobicContact CZ-CG1 3.47Å; F311-V367 VanDerWaalsContact CZ-CG1 3.47Å; Y315-V367 HydrophobicContact CE1-CG2 4.26Å; Y315-V367 WeakPolarHBondContact OH-CG2 3.42Å; L363-V367 WeakPolarHBondContact O-CG2 3.33Å; L363-V367 PolarHBondContact O-N 3.09Å; T364-V367 PolarHBondContact O-N 3.46Å; V367-T370 WeakPolarHBondContact CA-OG1 3.11Å; V367-T370 PolarHBondContact O-N 3.21Å; V367-T370 PolarHBondContact O-OG1 2.97Å; V367-H371 PolarHBondContact O-N 2.89Å; V367-V373 HydrophobicContact CG1-CG2 4.13Å; V367-I384 HydrophobicContact CG1-CD1 4.33Å; V367-I384 HydrophobicContact CG1-CG1 3.7Å; V367-I384 HydrophobicContact CG2-CD1 4.11Å; V367-I384 HydrophobicContact CG2-CG1 4.34Å; V367-F395 HydrophobicContact CG2-CB 3.51Å; V367-F395 HydrophobicContact CG2-CD2 3.73Å; V367-F395 HydrophobicContact CG2-CG 3.7Å
368M87.5Confident90.3Very high7 Ų737.2 Ų37.23%0.03422%0.219CC..Hα-helixtrans-66-46.9176.4-68.2-68-74.200111.6M16 L302 V308 F311 T364 V365 I366 T370 H371 V373M16-M368 HydrophobicContact CE-CB 4.45Å; M16-M368 HydrophobicContact CE-CE 3.38Å; M16-M368 HydrophobicContact CE-CG 4.4Å; M16-M368 HydrophobicContact CG-CE 4.41Å; M16-M368 HydrophobicContact SD-CE 3.33Å; M16-M368 WeakPolarHBondContact SD-CE 3.29Å; L302-M368 HydrophobicContact CD1-CB 4.25Å; L302-M368 HydrophobicContact CD1-CE 3.64Å; L302-M368 WeakPolarHBondContact CD1-O 3.26Å; L302-M368 HydrophobicContact CD1-SD 4.26Å; L302-M368 HydrophobicContact CD2-CE 3.73Å; L302-M368 HydrophobicContact CD2-SD 3.72Å; L302-M368 HydrophobicContact CG-CE 4.19Å; V308-M368 HydrophobicContact CB-CE 4.28Å; V308-M368 HydrophobicContact CG1-CE 3.4Å; V308-M368 HydrophobicContact CG1-SD 4.46Å; V308-M368 HydrophobicContact CG2-CE 3.92Å; F311-M368 HydrophobicContact CD1-CG 4.41Å; F311-M368 HydrophobicContact CD1-SD 3.5Å; F311-M368 WeakPolarHBondContact CD1-SD 3.29Å; F311-M368 HydrophobicContact CE1-CG 3.83Å; F311-M368 HydrophobicContact CE1-SD 3.47Å; F311-M368 WeakPolarHBondContact CE1-SD 3.42Å; T364-M368 WeakPolarHBondContact O-CG 3.35Å; T364-M368 PolarHBondContact O-N 2.73Å; T364-M368 VanDerWaalsContact O-N 3.11Å; V365-M368 PolarHBondContact O-N 3.09Å; I366-M368 VanDerWaalsContact C-N 3.3Å; I366-M368 PolarHBondContact O-N 3.4Å; M368-T370 PolarHBondContact O-N 3.27Å; M368-H371 PolarHBondContact O-N 3.13Å; M368-V373 HydrophobicContact SD-CG2 4.27Å
369V87.8Confident90.2Very high107 Ų10735 Ų3565%0.64820%0.199SC*.Hα-helixtrans-63.9-26.9178.6171.60000112.6V365 I366 H371V365-V369 HydrophobicContact CG1-CG2 4.24Å; V365-V369 WeakPolarHBondContact O-CG2 3.29Å; V365-V369 PolarHBondContact O-N 2.81Å; I366-V369 PolarHBondContact O-N 2.74Å; V369-H371 VanDerWaalsContact C-N 3.29Å; V369-H371 PolarHBondContact O-CD2 3.33Å; V369-H371 VanDerWaalsContact O-CD2 3.29Å
370T84.2Confident90.2Very high64 Ų6430.6 Ų30.639%0.39318%0.177SC..THydrogen-bonded Turntrans-81.4-5.3174480000113.7I366 V367 M368 E372I366-T370 PolarHBondContact O-N 2.96Å; I366-T370 PolarHBondContact O-OG1 2.81Å; V367-T370 WeakPolarHBondContact CA-OG1 3.11Å; V367-T370 PolarHBondContact O-N 3.21Å; V367-T370 PolarHBondContact O-OG1 2.97Å; M368-T370 PolarHBondContact O-N 3.27Å; T370-E372 PolarHBondContact O-N 3.18Å; T370-E372 VanDerWaalsContact O-N 3.12Å
371H83.8Confident90.1Very high95 Ų9530.5 Ų30.544%0.4418%0.176SC..THydrogen-bonded Turntrans57.418.1-177.5-63-90.3000115H300 V367 M368 V369 V373H300-H371 CarbonylContact C-O 3.15Å; H300-H371 VanDerWaalsContact CA-O 3.28Å; H300-H371 WeakPolarHBondContact CA-O 3.29Å; V367-H371 PolarHBondContact O-N 2.89Å; M368-H371 PolarHBondContact O-N 3.13Å; V369-H371 VanDerWaalsContact C-N 3.29Å; V369-H371 PolarHBondContact O-CD2 3.33Å; V369-H371 VanDerWaalsContact O-CD2 3.29Å; H371-V373 PolarHBondContact O-N 2.89Å
372E84.2Confident90Very high34 Ų3429.7 Ų29.716%0.15917%0.17CC..  trans-83.849.9-175.1-68.5-79.5-140.400112.9H300 T370 I384 C385 S388 A391H300-E372 IonicContact CE1-OE2 2.71Å; H300-E372 PolarHBondContact CE1-OE2 3.1Å; H300-E372 IonicContact ND1-OE2 2.9Å; H300-E372 PolarHBondContact ND1-OE2 3.18Å; H300-E372 VanDerWaalsContact ND1-OE2 3.11Å; T370-E372 PolarHBondContact O-N 3.18Å; T370-E372 VanDerWaalsContact O-N 3.12Å; E372-I384 CarbonylContact O-C 3.26Å; E372-I384 WeakPolarHBondContact O-CA 3.5Å; E372-C385 PolarHBondContact O-N 3.45Å; E372-S388 VanDerWaalsContact CD-CB 3.48Å; E372-S388 VanDerWaalsContact CD-OG 3.32Å; E372-S388 WeakPolarHBondContact OE1-CB 3.2Å; E372-S388 PolarHBondContact OE1-OG 2.9Å; E372-S388 WeakPolarHBondContact OE2-CB 3.43Å; E372-A391 HydrophobicContact CB-CB 3.67Å; E372-A391 HydrophobicContact CG-CB 3.82Å
373V88.8Confident90Very high0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-118.5131.5-180-179.50000110.3H300 L302 F311 V367 M368 H371 C382 F383H300-V373 PolarHBondContact N-O 2.88Å; L302-V373 HydrophobicContact CD2-CB 4.14Å; L302-V373 HydrophobicContact CD2-CG2 4.05Å; F311-V373 HydrophobicContact CB-CG1 4.14Å; F311-V373 HydrophobicContact CD1-CG2 4.3Å; F311-V373 HydrophobicContact CD2-CG1 4.21Å; F311-V373 HydrophobicContact CD2-CG2 4.12Å; F311-V373 HydrophobicContact CE1-CG2 4.37Å; F311-V373 HydrophobicContact CE2-CG2 4.19Å; F311-V373 HydrophobicContact CG-CG1 4.13Å; F311-V373 HydrophobicContact CG-CG2 4.19Å; F311-V373 HydrophobicContact CZ-CG2 4.32Å; V367-V373 HydrophobicContact CG1-CG2 4.13Å; M368-V373 HydrophobicContact SD-CG2 4.27Å; H371-V373 PolarHBondContact O-N 2.89Å; V373-C382 HydrophobicContact CG1-CB 3.96Å; V373-F383 WeakPolarHBondContact CA-O 3.27Å
374E88.7Confident89.9Confident32 Ų3227.6 Ų27.615%0.1515%0.149CC..EExtended strand (participates in β ladder)trans-131.2156175.180.7-174.8165.300111.6V298 C382 F383 S386V298-E374 CarbonylContact O-C 3.57Å; V298-E374 WeakPolarHBondContact O-CA 3.15Å; E374-C382 CarbonylContact O-C 3.54Å; E374-C382 WeakPolarHBondContact O-CA 3.39Å; E374-F383 PolarHBondContact N-O 3.42Å; E374-F383 PolarHBondContact O-N 2.82Å; E374-S386 WeakPolarHBondContact OE1-CB 3.4Å; E374-S386 PolarHBondContact OE1-N 3.32Å; E374-S386 PolarHBondContact OE1-OG 2.73Å
375A90.7Very high89.4Confident6 Ų627.5 Ų27.55%0.0515%0.149CC..EExtended strand (participates in β ladder)trans-92.713917100000111.5L297 V298 C382L297-A375 HydrophobicContact CD1-CB 3.57Å; L297-A375 VanDerWaalsContact CD2-O 3.28Å; L297-A375 WeakPolarHBondContact CD2-O 3.26Å; L297-A375 HydrophobicContact CG-CB 3.88Å; V298-A375 HydrophobicContact CB-CB 4.2Å; V298-A375 PolarHBondContact O-N 3.46Å; A375-C382 VanDerWaalsContact CB-SG 3.54Å
376N89.9Confident88.8Confident26 Ų2624.8 Ų24.814%0.13913%0.133CC..  trans-88.8129.9178175.1-65.5000111.7L378 T379 S380 L381 E465N376-L378 VanDerWaalsContact C-N 3.32Å; N376-L378 PolarHBondContact O-N 3.3Å; N376-L378 WeakPolarHBondContact OD1-CB 3.33Å; N376-L378 PolarHBondContact OD1-N 2.88Å; N376-T379 PolarHBondContact O-N 3.15Å; N376-T379 PolarHBondContact OD1-N 2.93Å; N376-T379 VanDerWaalsContact OD1-N 3.14Å; N376-T379 PolarHBondContact OD1-OG1 3.05Å; N376-S380 WeakPolarHBondContact O-CA 3.21Å; N376-S380 PolarHBondContact O-N 2.89Å; N376-L381 PolarHBondContact N-O 3.24Å; N376-E465 PolarHBondContact ND2-OE1 3.4Å
377E88.8Confident88Confident11 Ų1124.8 Ų24.85%0.05113%0.131CC..THydrogen-bonded Turntrans-57.5-38-176.9-172.9-163.2149.900113.8L208 W214 M215 F216 K221 L297L208-E377 HydrophobicContact CD2-CB 4.14Å; L208-E377 HydrophobicContact CD2-CG 3.55Å; W214-E377 PolarHBondContact N-OE1 3.34Å; W214-E377 VanDerWaalsContact N-OE1 3.14Å; M215-E377 VanDerWaalsContact CB-OE2 3.28Å; M215-E377 WeakPolarHBondContact CB-OE2 3.32Å; M215-E377 HydrophobicContact CE-CB 4.05Å; M215-E377 WeakPolarHBondContact CE-OE2 3.13Å; M215-E377 PolarHBondContact N-OE1 3.28Å; M215-E377 PolarHBondContact N-OE2 2.83Å; F216-E377 HydrophobicContact CD2-CB 4.49Å; F216-E377 PolarHBondContact N-OE1 3.46Å; K221-E377 WeakPolarHBondContact CE-OE1 3.41Å; K221-E377 IonicContact NZ-OE1 3.27Å; K221-E377 PolarHBondContact NZ-OE1 3.01Å; L297-E377 HydrophobicContact CD2-CB 4.18Å
378L91.5Very high87.5Confident0 Ų025.5 Ų25.50%014%0.136CC..THydrogen-bonded Turntrans-78.4-40.3-173.5-178.861.6000112.2F216 K221 V224 N376 V512 Y515F216-L378 HydrophobicContact CB-CD1 3.98Å; F216-L378 HydrophobicContact CD1-CD1 4.01Å; F216-L378 HydrophobicContact CD1-CD2 4.27Å; F216-L378 HydrophobicContact CD2-CB 3.68Å; F216-L378 HydrophobicContact CD2-CD1 4.18Å; F216-L378 HydrophobicContact CD2-CG 4.35Å; F216-L378 HydrophobicContact CE1-CD2 4Å; F216-L378 HydrophobicContact CE2-CB 3.73Å; F216-L378 HydrophobicContact CE2-CD2 4.33Å; F216-L378 HydrophobicContact CE2-CG 4.48Å; F216-L378 HydrophobicContact CG-CB 4.18Å; F216-L378 HydrophobicContact CG-CD1 3.78Å; F216-L378 HydrophobicContact CG-CG 4.38Å; F216-L378 HydrophobicContact CZ-CB 4.27Å; F216-L378 HydrophobicContact CZ-CD2 4.03Å; K221-L378 HydrophobicContact CG-CD1 4.1Å; V224-L378 HydrophobicContact CB-CD1 4.06Å; V224-L378 HydrophobicContact CB-CG 4.21Å; V224-L378 HydrophobicContact CG1-CD1 4.44Å; V224-L378 HydrophobicContact CG1-CD2 4.38Å; V224-L378 HydrophobicContact CG1-CG 4.03Å; V224-L378 HydrophobicContact CG2-CD1 3.92Å; V224-L378 HydrophobicContact CG2-CD2 4.18Å; V224-L378 HydrophobicContact CG2-CG 4.17Å; N376-L378 VanDerWaalsContact C-N 3.32Å; N376-L378 PolarHBondContact O-N 3.3Å; N376-L378 WeakPolarHBondContact OD1-CB 3.33Å; N376-L378 PolarHBondContact OD1-N 2.88Å; L378-V512 HydrophobicContact CD1-CG1 4.42Å; L378-V512 HydrophobicContact CD2-CG1 4.07Å; L378-Y515 HydrophobicContact CD2-CD1 4.01Å; L378-Y515 HydrophobicContact CD2-CD2 4.33Å; L378-Y515 HydrophobicContact CD2-CG 3.73Å
379T93.2Very high87.3Confident8 Ų829.1 Ų29.15%0.04916%0.155CC..THydrogen-bonded Turntrans-105.1-16.1-171.761.30000114.3V224 M228 N376 L381 I519V224-T379 HydrophobicContact CG1-CG2 4.16Å; M228-T379 HydrophobicContact CE-CG2 4.43Å; M228-T379 HydrophobicContact SD-CG2 3.68Å; N376-T379 PolarHBondContact O-N 3.15Å; N376-T379 PolarHBondContact OD1-N 2.93Å; N376-T379 VanDerWaalsContact OD1-N 3.14Å; N376-T379 PolarHBondContact OD1-OG1 3.05Å; T379-L381 PolarHBondContact O-N 3.15Å; T379-I519 HydrophobicContact CG2-CD1 4.17Å
380S92.6Very high87.1Confident4 Ų428.2 Ų28.23%0.02815%0.154CC..  trans56.232-171.9-53.30000113.1P277 V282 S286 N376P277-S380 WeakPolarHBondContact CG-O 3.29Å; V282-S380 WeakPolarHBondContact CG1-OG 2.83Å; S286-S380 WeakPolarHBondContact OG-CB 3.46Å; N376-S380 WeakPolarHBondContact O-CA 3.21Å; N376-S380 PolarHBondContact O-N 2.89Å
381L93.7Very high87.2Confident0 Ų025.2 Ų25.20%014%0.135CC..  trans-114.4142.6178.9-67.2168.9000109.1M228 A273 Y274 P277 T310 N376 T379M228-L381 HydrophobicContact SD-CD1 4.06Å; A273-L381 WeakPolarHBondContact O-CD2 3.43Å; Y274-L381 HydrophobicContact CD1-CD1 3.37Å; Y274-L381 HydrophobicContact CD2-CD1 4.43Å; Y274-L381 HydrophobicContact CE1-CD1 3.41Å; Y274-L381 VanDerWaalsContact CE1-CD1 3.41Å; Y274-L381 HydrophobicContact CE2-CD1 4.47Å; Y274-L381 HydrophobicContact CG-CD1 3.91Å; P277-L381 HydrophobicContact CG-CD2 3.41Å; P277-L381 VanDerWaalsContact CG-CD2 3.41Å; P277-L381 HydrophobicContact CG-CG 4.01Å; T310-L381 HydrophobicContact CG2-CD2 3.83Å; N376-L381 PolarHBondContact N-O 3.24Å; T379-L381 PolarHBondContact O-N 3.15Å
382C93.6Very high87.4Confident0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-90.2148.3177-61.90000113.2C307 T310 F311 R314 V373 E374 A375C307-C382 WeakPolarHBondContact CA-SG 3.48Å; C307-C382 HydrophobicContact CB-CB 4.12Å; C307-C382 WeakPolarHBondContact CB-SG 3.39Å; C307-C382 WeakPolarHBondContact O-CB 3.42Å; C307-C382 WeakPolarHBondContact SG-CB 3.21Å; C307-C382 CovalentContact SG-SG 2.02Å; C307-C382 PolarHBondContact SG-SG 3.31Å; T310-C382 PolarHBondContact OG1-N 2.93Å; F311-C382 HydrophobicContact CB-CB 4.12Å; R314-C382 PolarHBondContact NH1-O 3.44Å; V373-C382 HydrophobicContact CG1-CB 3.96Å; E374-C382 CarbonylContact O-C 3.54Å; E374-C382 WeakPolarHBondContact O-CA 3.39Å; A375-C382 VanDerWaalsContact CB-SG 3.54Å
383F92.7Very high87.8Confident31 Ų3123.7 Ų23.714%0.13613%0.125CC..EExtended strand (participates in β ladder)trans-153.6-179.3179.2-150-117.3000111.2R314 Y315 V373 E374 F396R314-F383 HydrophobicContact CB-CD2 4.46Å; R314-F383 HydrophobicContact CB-CE2 4.46Å; Y315-F383 HydrophobicContact CD2-CE2 4.43Å; Y315-F383 HydrophobicContact CD2-CZ 4.44Å; V373-F383 WeakPolarHBondContact CA-O 3.27Å; E374-F383 PolarHBondContact N-O 3.42Å; E374-F383 PolarHBondContact O-N 2.82Å; F383-F396 HydrophobicContact CE1-CD1 4.02Å; F383-F396 HydrophobicContact CE1-CD2 4.27Å; F383-F396 HydrophobicContact CE1-CE1 4.08Å; F383-F396 HydrophobicContact CE1-CE2 4.32Å; F383-F396 HydrophobicContact CE1-CG 4.13Å; F383-F396 HydrophobicContact CE1-CZ 4.22Å; F383-F396 HydrophobicContact CZ-CD1 4.22Å; F383-F396 AromaticContact CZ-CD2 3.73Å; F383-F396 HydrophobicContact CZ-CD2 3.73Å; F383-F396 HydrophobicContact CZ-CE1 4.07Å; F383-F396 AromaticContact CZ-CE2 3.56Å; F383-F396 HydrophobicContact CZ-CE2 3.56Å; F383-F396 HydrophobicContact CZ-CG 4.06Å; F383-F396 AromaticContact CZ-CZ 3.74Å; F383-F396 HydrophobicContact CZ-CZ 3.74Å
384I90.8Very high87.8Confident4 Ų425.8 Ų25.82%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-61137.8171.2-73.9158.2000109.9F311 Y315 V367 E372 S386 A391 L392 F395 F396F311-I384 HydrophobicContact CE2-CG1 4.14Å; Y315-I384 HydrophobicContact CD2-CD1 3.76Å; Y315-I384 HydrophobicContact CE2-CD1 3.31Å; Y315-I384 HydrophobicContact CE2-CG1 4.44Å; V367-I384 HydrophobicContact CG1-CD1 4.33Å; V367-I384 HydrophobicContact CG1-CG1 3.7Å; V367-I384 HydrophobicContact CG2-CD1 4.11Å; V367-I384 HydrophobicContact CG2-CG1 4.34Å; E372-I384 CarbonylContact O-C 3.26Å; E372-I384 WeakPolarHBondContact O-CA 3.5Å; I384-S386 PolarHBondContact O-N 3.33Å; I384-A391 HydrophobicContact CG2-CB 3.74Å; I384-L392 HydrophobicContact CG2-CB 4.23Å; I384-L392 HydrophobicContact CG2-CD1 4.28Å; I384-F395 HydrophobicContact CD1-CB 4.3Å; I384-F396 HydrophobicContact CD1-CB 3.78Å
385C83.7Confident88Confident0 Ų026.7 Ų26.70%015%0.15CC..  trans-53.1118176179.90000111.5H300 E372 Q387 S388H300-C385 PolarHBondContact CE1-SG 2.84Å; E372-C385 PolarHBondContact O-N 3.45Å; C385-Q387 VanDerWaalsContact C-N 3.28Å; C385-Q387 PolarHBondContact O-N 2.78Å; C385-Q387 PolarHBondContact SG-N 2.98Å; C385-S388 PolarHBondContact O-N 3.34Å
386S79.8Confident88.1Confident11 Ų1126.8 Ų26.88%0.07715%0.15CC..SBendtrans-67.1-28.517861.10000112.2E374 I384 S388 R466E374-S386 WeakPolarHBondContact OE1-CB 3.4Å; E374-S386 PolarHBondContact OE1-N 3.32Å; E374-S386 PolarHBondContact OE1-OG 2.73Å; I384-S386 PolarHBondContact O-N 3.33Å; S386-S388 VanDerWaalsContact C-N 3.35Å; S386-R466 WeakPolarHBondContact O-CD 3.38Å; S386-R466 PolarHBondContact O-NE 3.25Å
387Q72.6Confident88.2Confident81 Ų8126.9 Ų26.938%0.37915%0.151SC..SBendtrans-70.5-33.9179.1-53.9-172.530.300111.8C385 N389C385-Q387 VanDerWaalsContact C-N 3.28Å; C385-Q387 PolarHBondContact O-N 2.78Å; C385-Q387 PolarHBondContact SG-N 2.98Å; Q387-N389 PolarHBondContact O-N 2.73Å; Q387-N389 VanDerWaalsContact O-N 3.16Å
388S80Confident88.4Confident14 Ų1427.9 Ų27.910%0.09817%0.165CC..  trans-78.198.4-179.6-175.10000112.2E372 C385 S386 S390 A391 L392E372-S388 VanDerWaalsContact CD-CB 3.48Å; E372-S388 VanDerWaalsContact CD-OG 3.32Å; E372-S388 WeakPolarHBondContact OE1-CB 3.2Å; E372-S388 PolarHBondContact OE1-OG 2.9Å; E372-S388 WeakPolarHBondContact OE2-CB 3.43Å; C385-S388 PolarHBondContact O-N 3.34Å; S386-S388 VanDerWaalsContact C-N 3.35Å; S388-S390 VanDerWaalsContact C-N 3.31Å; S388-S390 PolarHBondContact O-N 3.4Å; S388-S390 PolarHBondContact OG-OG 3.03Å; S388-A391 PolarHBondContact O-N 3.19Å; S388-A391 WeakPolarHBondContact OG-CB 3.42Å; S388-A391 PolarHBondContact OG-N 3.26Å; S388-L392 WeakPolarHBondContact O-CB 3.33Å; S388-L392 PolarHBondContact O-N 2.9Å
389N82.3Confident88.6Confident83 Ų8329 Ų2944%0.44417%0.171SC..Hα-helixtrans-56.7-43.7176.7-82-37.4000112.6Q387 Y393 R466Q387-N389 PolarHBondContact O-N 2.73Å; Q387-N389 VanDerWaalsContact O-N 3.16Å; N389-Y393 HydrophobicContact CB-CD2 4.48Å; N389-Y393 WeakPolarHBondContact O-CB 3.5Å; N389-Y393 WeakPolarHBondContact O-CD2 3.38Å; N389-Y393 PolarHBondContact O-N 2.74Å; N389-R466 PolarHBondContact ND2-NH2 2.96Å; N389-R466 PolarHBondContact OD1-NE 2.78Å; N389-R466 PolarHBondContact OD1-NH2 3.2Å; N389-R466 VanDerWaalsContact OD1-NH2 3.1Å
390S84.1Confident88.7Confident88 Ų8828.9 Ų28.962%0.61517%0.171SC*.Hα-helixtrans-60.7-45.4177.633.50000111.4S388 G394S388-S390 VanDerWaalsContact C-N 3.31Å; S388-S390 PolarHBondContact O-N 3.4Å; S388-S390 PolarHBondContact OG-OG 3.03Å; S390-G394 WeakPolarHBondContact O-CA 3.25Å; S390-G394 PolarHBondContact O-N 3.23Å
391A86Confident88.8Confident1 Ų130.9 Ų30.91%0.00819%0.187CC..Hα-helixtrans-70.3-51-179.600000112.1E372 I384 S388 F395E372-A391 HydrophobicContact CB-CB 3.67Å; E372-A391 HydrophobicContact CG-CB 3.82Å; I384-A391 HydrophobicContact CG2-CB 3.74Å; S388-A391 PolarHBondContact O-N 3.19Å; S388-A391 WeakPolarHBondContact OG-CB 3.42Å; S388-A391 PolarHBondContact OG-N 3.26Å; A391-F395 HydrophobicContact CB-CD2 4.18Å; A391-F395 WeakPolarHBondContact O-CB 3.32Å; A391-F395 PolarHBondContact O-N 3.19Å
392L88.3Confident88.9Confident5 Ų536.6 Ų36.63%0.02622%0.217CC..Iπ-helixtrans-65.1-49-175.1-174.268000112.1I384 S388 F396 V397 V462 R466I384-L392 HydrophobicContact CG2-CB 4.23Å; I384-L392 HydrophobicContact CG2-CD1 4.28Å; S388-L392 WeakPolarHBondContact O-CB 3.33Å; S388-L392 PolarHBondContact O-N 2.9Å; L392-F396 HydrophobicContact CD1-CD1 4.49Å; L392-F396 WeakPolarHBondContact O-CB 3.36Å; L392-F396 PolarHBondContact O-N 3.37Å; L392-V397 PolarHBondContact O-N 3.21Å; L392-V462 HydrophobicContact CD1-CG1 3.92Å; L392-V462 HydrophobicContact CD2-CG1 4.34Å; L392-V462 HydrophobicContact CG-CG1 4.49Å; L392-R466 HydrophobicContact CD2-CB 3.73Å; L392-R466 HydrophobicContact CD2-CG 3.9Å
393Y91.2Very high89Confident93 Ų9338.4 Ų38.437%0.36523%0.226SC..Iπ-helixtrans-78.9-35.1180-68.4-73000112.6N389 V397 G398 R466N389-Y393 HydrophobicContact CB-CD2 4.48Å; N389-Y393 WeakPolarHBondContact O-CB 3.5Å; N389-Y393 WeakPolarHBondContact O-CD2 3.38Å; N389-Y393 PolarHBondContact O-N 2.74Å; Y393-V397 HydrophobicContact CD1-CB 3.9Å; Y393-V397 HydrophobicContact CD1-CG1 4.08Å; Y393-V397 HydrophobicContact CD1-CG2 4.01Å; Y393-V397 HydrophobicContact CE1-CG1 4.45Å; Y393-V397 HydrophobicContact CE1-CG2 4.32Å; Y393-G398 WeakPolarHBondContact O-CA 3.5Å; Y393-G398 PolarHBondContact O-N 3.45Å; Y393-R466 HydrophobicContact CE2-CG 4.13Å
394G90.9Very high89.2Confident43 Ų4337.3 Ų37.344%0.44322%0.223SC..Iπ-helixtrans-74.9-39.4-178.200000114.3S390 P399S390-G394 WeakPolarHBondContact O-CA 3.25Å; S390-G394 PolarHBondContact O-N 3.23Å; G394-P399 VanDerWaalsContact O-CD 3.27Å; G394-P399 WeakPolarHBondContact O-CD 3.35Å; G394-P399 WeakPolarHBondContact O-CG 3.31Å
395F92Very high89.4Confident51 Ų5140.2 Ų40.222%0.22425%0.247CC..Iπ-helixtrans-105.3-25.1-173.9-55.9-52.3000114.6Y315 L363 I366 V367 I384 A391 P399Y315-F395 PolarHBondContact OH-O 3.49Å; L363-F395 HydrophobicContact CD2-CD1 4.49Å; I366-F395 HydrophobicContact CG2-CD1 4.27Å; I366-F395 HydrophobicContact CG2-CE1 3.57Å; I366-F395 HydrophobicContact CG2-CE2 4.33Å; I366-F395 HydrophobicContact CG2-CZ 3.61Å; V367-F395 HydrophobicContact CG2-CB 3.51Å; V367-F395 HydrophobicContact CG2-CD2 3.73Å; V367-F395 HydrophobicContact CG2-CG 3.7Å; I384-F395 HydrophobicContact CD1-CB 4.3Å; A391-F395 HydrophobicContact CB-CD2 4.18Å; A391-F395 WeakPolarHBondContact O-CB 3.32Å; A391-F395 PolarHBondContact O-N 3.19Å; F395-P399 WeakPolarHBondContact O-CG 3.49Å
396F92Very high90.1Very high9 Ų943.5 Ų43.54%0.03927%0.267CS..Iπ-helixtrans-107.1-65.9177.5-173.9-114000113.7Y315 F383 I384 L392 I400 L459 V462Y315-F396 HydrophobicContact CD2-CD2 4.06Å; Y315-F396 HydrophobicContact CE2-CB 4.32Å; Y315-F396 HydrophobicContact CE2-CD2 4.02Å; F383-F396 HydrophobicContact CE1-CD1 4.02Å; F383-F396 HydrophobicContact CE1-CD2 4.27Å; F383-F396 HydrophobicContact CE1-CE1 4.08Å; F383-F396 HydrophobicContact CE1-CE2 4.32Å; F383-F396 HydrophobicContact CE1-CG 4.13Å; F383-F396 HydrophobicContact CE1-CZ 4.22Å; F383-F396 HydrophobicContact CZ-CD1 4.22Å; F383-F396 AromaticContact CZ-CD2 3.73Å; F383-F396 HydrophobicContact CZ-CD2 3.73Å; F383-F396 HydrophobicContact CZ-CE1 4.07Å; F383-F396 AromaticContact CZ-CE2 3.56Å; F383-F396 HydrophobicContact CZ-CE2 3.56Å; F383-F396 HydrophobicContact CZ-CG 4.06Å; F383-F396 AromaticContact CZ-CZ 3.74Å; F383-F396 HydrophobicContact CZ-CZ 3.74Å; I384-F396 HydrophobicContact CD1-CB 3.78Å; L392-F396 HydrophobicContact CD1-CD1 4.49Å; L392-F396 WeakPolarHBondContact O-CB 3.36Å; L392-F396 PolarHBondContact O-N 3.37Å; F396-I400 HydrophobicContact CD2-CD1 3.63Å; F396-I400 HydrophobicContact CE1-CD1 4.3Å; F396-I400 HydrophobicContact CE2-CD1 3.2Å; F396-I400 HydrophobicContact CG-CD1 4.34Å; F396-I400 HydrophobicContact CZ-CD1 3.59Å; F396-I400 WeakPolarHBondContact O-CG1 3.14Å; F396-I400 PolarHBondContact O-N 2.89Å; F396-L459 HydrophobicContact CE1-CD2 4.21Å; F396-V462 HydrophobicContact CD1-CG1 4.28Å; F396-V462 HydrophobicContact CE1-CB 4.5Å; F396-V462 HydrophobicContact CE1-CG1 4.21Å; F396-V462 HydrophobicContact CE1-CG2 4.17Å
397V93.3Very high91Very high27 Ų2743 Ų4316%0.16426%0.264CS..Iπ-helixtrans-66.5-46.1-171.2-178.20000111.3L392 Y393 I400 A401 L459L392-V397 PolarHBondContact O-N 3.21Å; Y393-V397 HydrophobicContact CD1-CB 3.9Å; Y393-V397 HydrophobicContact CD1-CG1 4.08Å; Y393-V397 HydrophobicContact CD1-CG2 4.01Å; Y393-V397 HydrophobicContact CE1-CG1 4.45Å; Y393-V397 HydrophobicContact CE1-CG2 4.32Å; V397-I400 PolarHBondContact O-N 3.42Å; V397-A401 WeakPolarHBondContact O-CB 3.49Å; V397-A401 PolarHBondContact O-N 2.91Å; V397-L459 HydrophobicContact CG1-CD2 4.36Å; V397-L459 HydrophobicContact CG2-CD2 4.49Å
398G93.2Very high92.1Very high33 Ų3341 Ų4134%0.3426%0.257SS..Hα-helixtrans-58.6-55.4-179.600000113.4Y393 I400 A401 L402Y393-G398 WeakPolarHBondContact O-CA 3.5Å; Y393-G398 PolarHBondContact O-N 3.45Å; G398-I400 PolarHBondContact O-N 2.86Å; G398-A401 PolarHBondContact O-N 3.06Å; G398-L402 WeakPolarHBondContact O-CB 3.22Å; G398-L402 PolarHBondContact O-N 3.44Å
399P95Very high92.9Very high22 Ų2242.3 Ų42.314%0.14327%0.272CS..Hα-helixtrans-59.5-42.3177.7-30.339.7000113.3L319 L363 G394 F395 L403L319-P399 HydrophobicContact CD2-CB 4.45Å; L363-P399 HydrophobicContact CD1-CB 4.06Å; L363-P399 HydrophobicContact CD1-CG 4.2Å; G394-P399 VanDerWaalsContact O-CD 3.27Å; G394-P399 WeakPolarHBondContact O-CD 3.35Å; G394-P399 WeakPolarHBondContact O-CG 3.31Å; F395-P399 WeakPolarHBondContact O-CG 3.49Å; P399-L403 WeakPolarHBondContact O-CB 3.33Å; P399-L403 WeakPolarHBondContact O-CD1 3.47Å; P399-L403 WeakPolarHBondContact O-CG 3.47Å; P399-L403 PolarHBondContact O-N 2.62Å
400I95.4Very high93.7Very high7 Ų740.9 Ų40.94%0.03626%0.262CS..Hα-helixtrans-67.6-43.2177.4-64.2178.7000111L319 V322 F396 V397 G398 S404 T455 L459L319-I400 HydrophobicContact CD2-CD1 4.15Å; L319-I400 HydrophobicContact CD2-CG1 3.68Å; V322-I400 HydrophobicContact CG2-CG1 4.4Å; V322-I400 HydrophobicContact CG2-CG2 4.27Å; F396-I400 HydrophobicContact CD2-CD1 3.63Å; F396-I400 HydrophobicContact CE1-CD1 4.3Å; F396-I400 HydrophobicContact CE2-CD1 3.2Å; F396-I400 HydrophobicContact CG-CD1 4.34Å; F396-I400 HydrophobicContact CZ-CD1 3.59Å; F396-I400 WeakPolarHBondContact O-CG1 3.14Å; F396-I400 PolarHBondContact O-N 2.89Å; V397-I400 PolarHBondContact O-N 3.42Å; G398-I400 PolarHBondContact O-N 2.86Å; I400-S404 WeakPolarHBondContact O-CB 3.44Å; I400-S404 PolarHBondContact O-N 3.41Å; I400-S404 PolarHBondContact O-OG 2.93Å; I400-T455 HydrophobicContact CG2-CG2 3.62Å; I400-L459 HydrophobicContact CB-CD2 4.3Å; I400-L459 HydrophobicContact CG2-CD1 3.96Å; I400-L459 HydrophobicContact CG2-CD2 4.12Å; I400-L459 HydrophobicContact CG2-CG 4.31Å
401A94.3Very high94.2Very high45 Ų4537.5 Ų37.537%0.37224%0.237SC..Hα-helixtrans-62.3-43.9178.100000111.8V397 G398 S404 A405V397-A401 WeakPolarHBondContact O-CB 3.49Å; V397-A401 PolarHBondContact O-N 2.91Å; G398-A401 PolarHBondContact O-N 3.06Å; A401-S404 PolarHBondContact O-N 3.47Å; A401-A405 WeakPolarHBondContact O-CB 3.25Å; A401-A405 PolarHBondContact O-N 2.91Å
402L95.9Very high94.7Very high120 Ų12041 Ų4163%0.62826%0.255SS*.Hα-helixtrans-62.3-52.2176.9179.262000111.7G398 S404 A405 V406G398-L402 WeakPolarHBondContact O-CB 3.22Å; G398-L402 PolarHBondContact O-N 3.44Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 3.18Å; L402-A405 PolarHBondContact O-N 3.04Å; L402-V406 WeakPolarHBondContact O-CG2 3.34Å; L402-V406 PolarHBondContact O-N 2.94Å; L402-V406 VanDerWaalsContact O-N 3.1Å
403L96.4Very high95.1Very high38 Ų3842.1 Ų42.120%0.19927%0.265CS..Hα-helixtrans-62.2-37.6178.2-67.4169.6000111.7V322 V323 L326 P399 G407V322-L403 HydrophobicContact CG1-CB 3.66Å; V322-L403 HydrophobicContact CG1-CD1 3.97Å; V322-L403 HydrophobicContact CG1-CG 4.49Å; V323-L403 HydrophobicContact CG2-CD1 3.89Å; L326-L403 HydrophobicContact CD2-CD2 3.64Å; P399-L403 WeakPolarHBondContact O-CB 3.33Å; P399-L403 WeakPolarHBondContact O-CD1 3.47Å; P399-L403 WeakPolarHBondContact O-CG 3.47Å; P399-L403 PolarHBondContact O-N 2.62Å; L403-G407 PolarHBondContact O-N 2.77Å
404S95.6Very high95.2Very high8 Ų837.7 Ų37.76%0.05625%0.247CC..Hα-helixtrans-64.1-45.2175.3-62.70000111.9I400 A401 L402 V406 G407 V408I400-S404 WeakPolarHBondContact O-CB 3.44Å; I400-S404 PolarHBondContact O-N 3.41Å; I400-S404 PolarHBondContact O-OG 2.93Å; A401-S404 PolarHBondContact O-N 3.47Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 3.18Å; S404-V406 PolarHBondContact O-N 3.41Å; S404-G407 PolarHBondContact O-N 3.26Å; S404-V408 WeakPolarHBondContact O-CB 3.41Å; S404-V408 VanDerWaalsContact O-CG2 3.32Å; S404-V408 WeakPolarHBondContact O-CG2 3.37Å; S404-V408 PolarHBondContact O-N 2.94Å
405A96.6Very high95.4Very high65 Ų6538.4 Ų38.454%0.53724%0.243SC..Hα-helixtrans-61.5-44.3177.900000112.1A401 L402 V408 G409A401-A405 WeakPolarHBondContact O-CB 3.25Å; A401-A405 PolarHBondContact O-N 2.91Å; L402-A405 PolarHBondContact O-N 3.04Å; A405-V408 PolarHBondContact O-N 2.88Å; A405-G409 PolarHBondContact O-N 3.48Å
406V97.9Very high95.5Very high70 Ų7044.6 Ų44.642%0.42427%0.265SS..Hα-helixtrans-63.7-43.3175.9-179.40000111L326 L402 S404 G409 F410L326-V406 HydrophobicContact CD1-CB 4.17Å; L326-V406 HydrophobicContact CD1-CG1 3.86Å; L402-V406 WeakPolarHBondContact O-CG2 3.34Å; L402-V406 PolarHBondContact O-N 2.94Å; L402-V406 VanDerWaalsContact O-N 3.1Å; S404-V406 PolarHBondContact O-N 3.41Å; V406-G409 WeakPolarHBondContact O-CA 3.25Å; V406-G409 PolarHBondContact O-N 2.99Å; V406-G409 VanDerWaalsContact O-N 3.14Å; V406-F410 HydrophobicContact CG1-CD2 4.19Å; V406-F410 HydrophobicContact CG1-CE2 3.8Å; V406-F410 WeakPolarHBondContact O-CD2 3.32Å; V406-F410 PolarHBondContact O-N 2.88Å; V406-F410 VanDerWaalsContact O-N 3.08Å
407G97.3Very high95.4Very high0 Ų044.8 Ų44.80%027%0.267CS..Hα-helixtrans-66.1-36.8177.400000113.4L403 S404 G409 F410 M411L403-G407 PolarHBondContact O-N 2.77Å; S404-G407 PolarHBondContact O-N 3.26Å; G407-G409 VanDerWaalsContact C-N 3.31Å; G407-G409 PolarHBondContact O-N 2.81Å; G407-F410 PolarHBondContact O-N 2.81Å; G407-M411 WeakPolarHBondContact O-CG 3.47Å; G407-M411 PolarHBondContact O-N 2.81Å
408V97.2Very high95.2Very high40 Ų4044.5 Ų44.524%0.24227%0.265CS..Hα-helixtrans-62.6-38.6170.3168.30000110.8W325 S404 A405 F410 M411 I412 F452W325-V408 HydrophobicContact CH2-CG2 4.39Å; S404-V408 WeakPolarHBondContact O-CB 3.41Å; S404-V408 VanDerWaalsContact O-CG2 3.32Å; S404-V408 WeakPolarHBondContact O-CG2 3.37Å; S404-V408 PolarHBondContact O-N 2.94Å; A405-V408 PolarHBondContact O-N 2.88Å; V408-F410 PolarHBondContact O-N 2.92Å; V408-M411 WeakPolarHBondContact O-CB 3.28Å; V408-M411 PolarHBondContact O-N 2.92Å; V408-M411 VanDerWaalsContact O-N 3.16Å; V408-I412 HydrophobicContact CG1-CD1 3.81Å; V408-I412 HydrophobicContact CG1-CG1 4.33Å; V408-I412 VanDerWaalsContact O-CG1 3.32Å; V408-I412 WeakPolarHBondContact O-CG1 3.27Å; V408-I412 PolarHBondContact O-N 3.11Å; V408-F452 HydrophobicContact CG2-CD1 4.36Å; V408-F452 HydrophobicContact CG2-CD2 3.59Å; V408-F452 HydrophobicContact CG2-CE1 4.25Å; V408-F452 HydrophobicContact CG2-CE2 3.47Å; V408-F452 VanDerWaalsContact CG2-CE2 3.47Å; V408-F452 HydrophobicContact CG2-CG 4.05Å; V408-F452 HydrophobicContact CG2-CZ 3.83Å
409G97.3Very high94.9Very high40 Ų4046.3 Ų46.341%0.41227%0.269SS..Hα-helixtrans-55.2-48.6170.700000112.7A405 V406 G407 I412 A413A405-G409 PolarHBondContact O-N 3.48Å; V406-G409 WeakPolarHBondContact O-CA 3.25Å; V406-G409 PolarHBondContact O-N 2.99Å; V406-G409 VanDerWaalsContact O-N 3.14Å; G407-G409 VanDerWaalsContact C-N 3.31Å; G407-G409 PolarHBondContact O-N 2.81Å; G409-I412 PolarHBondContact O-N 3.47Å; G409-A413 WeakPolarHBondContact O-CB 3.49Å; G409-A413 PolarHBondContact O-N 3.34Å
410F97.3Very high94.6Very high53 Ų5353.1 Ų53.123%0.23229%0.292CS..Hα-helixtrans-64.7-38.5173.4-72-59.5000112.9L326 M330 Y333 V406 G407 V408 A413 G414L326-F410 HydrophobicContact CD1-CD2 3.83Å; L326-F410 HydrophobicContact CD1-CE2 4Å; M330-F410 HydrophobicContact CB-CD1 4.44Å; M330-F410 HydrophobicContact CB-CD2 3.98Å; M330-F410 HydrophobicContact CB-CE1 4.42Å; M330-F410 HydrophobicContact CB-CE2 3.94Å; M330-F410 HydrophobicContact CB-CG 4.24Å; M330-F410 HydrophobicContact CB-CZ 4.17Å; M330-F410 HydrophobicContact CG-CE1 4.12Å; M330-F410 HydrophobicContact CG-CE2 4.15Å; M330-F410 HydrophobicContact CG-CZ 3.9Å; Y333-F410 AromaticContact CD1-CD1 3.63Å; Y333-F410 HydrophobicContact CD1-CD1 3.63Å; Y333-F410 AromaticContact CD1-CE1 3.94Å; Y333-F410 HydrophobicContact CD1-CE1 3.94Å; Y333-F410 HydrophobicContact CE1-CD1 4.35Å; Y333-F410 HydrophobicContact CE1-CE1 4.36Å; Y333-F410 HydrophobicContact CG-CD1 4.16Å; V406-F410 HydrophobicContact CG1-CD2 4.19Å; V406-F410 HydrophobicContact CG1-CE2 3.8Å; V406-F410 WeakPolarHBondContact O-CD2 3.32Å; V406-F410 PolarHBondContact O-N 2.88Å; V406-F410 VanDerWaalsContact O-N 3.08Å; G407-F410 PolarHBondContact O-N 2.81Å; V408-F410 PolarHBondContact O-N 2.92Å; F410-A413 PolarHBondContact O-N 3.13Å; F410-G414 PolarHBondContact O-N 3.47Å
411M95.8Very high93.9Very high17 Ų1755.1 Ų55.18%0.08430%0.302CS..Hα-helixtrans-57.3-50174.2-76.5-16869.300111.6W325 T329 W332 G407 V408 A413 G414 V415 L449W325-M411 HydrophobicContact CZ2-SD 3.81Å; T329-M411 HydrophobicContact CG2-CG 3.52Å; T329-M411 HydrophobicContact CG2-SD 4.21Å; W332-M411 WeakPolarHBondContact CH2-O 3.17Å; W332-M411 VanDerWaalsContact CZ3-O 3.26Å; W332-M411 WeakPolarHBondContact CZ3-O 3.21Å; G407-M411 WeakPolarHBondContact O-CG 3.47Å; G407-M411 PolarHBondContact O-N 2.81Å; V408-M411 WeakPolarHBondContact O-CB 3.28Å; V408-M411 PolarHBondContact O-N 2.92Å; V408-M411 VanDerWaalsContact O-N 3.16Å; M411-A413 PolarHBondContact O-N 3.18Å; M411-G414 PolarHBondContact O-N 3.03Å; M411-V415 WeakPolarHBondContact O-CG2 3.08Å; M411-V415 PolarHBondContact O-N 2.93Å; M411-L449 HydrophobicContact CE-CB 3.79Å; M411-L449 HydrophobicContact CE-CD1 4.41Å
412I96.3Very high93.3Very high75 Ų7558.1 Ų58.139%0.38530%0.304SS..Hα-helixtrans-63.9-42.3179.2-63.5164.6000110.6V408 G409 V415 R416V408-I412 HydrophobicContact CG1-CD1 3.81Å; V408-I412 HydrophobicContact CG1-CG1 4.33Å; V408-I412 VanDerWaalsContact O-CG1 3.32Å; V408-I412 WeakPolarHBondContact O-CG1 3.27Å; V408-I412 PolarHBondContact O-N 3.11Å; G409-I412 PolarHBondContact O-N 3.47Å; I412-V415 PolarHBondContact O-N 3.5Å; I412-R416 VanDerWaalsContact CG2-CZ 3.44Å; I412-R416 VanDerWaalsContact CG2-NH1 3.31Å; I412-R416 WeakPolarHBondContact O-CG 3.38Å; I412-R416 PolarHBondContact O-N 2.83Å
413A95.9Very high92.5Very high28 Ų2860 Ų6023%0.23131%0.307CS..Hα-helixtrans-62.7-42.2178.100000112.7Y333 G409 F410 M411 S417Y333-A413 HydrophobicContact CD2-CB 3.68Å; Y333-A413 HydrophobicContact CE2-CB 3.82Å; Y333-A413 HydrophobicContact CG-CB 4.24Å; G409-A413 WeakPolarHBondContact O-CB 3.49Å; G409-A413 PolarHBondContact O-N 3.34Å; F410-A413 PolarHBondContact O-N 3.13Å; M411-A413 PolarHBondContact O-N 3.18Å; A413-S417 WeakPolarHBondContact O-CB 3.01Å; A413-S417 PolarHBondContact O-N 2.82Å; A413-S417 PolarHBondContact O-OG 3.27Å
414G94.2Very high91.5Very high0 Ų063.2 Ų63.20%032%0.324CS..Hα-helixtrans-72.9-34.1176.100000113.5F410 M411 S417 M418F410-G414 PolarHBondContact O-N 3.47Å; M411-G414 PolarHBondContact O-N 3.03Å; G414-S417 WeakPolarHBondContact O-CB 3.41Å; G414-S417 PolarHBondContact O-N 3.26Å; G414-M418 WeakPolarHBondContact O-CG 3.47Å; G414-M418 PolarHBondContact O-N 3.02Å
415V93.8Very high90.1Very high59 Ų5964.7 Ų64.736%0.35833%0.331SS..Hα-helixtrans-61.2-48.8171.1170.80000110.2W332 M411 I412 S417 M418 V419W332-V415 HydrophobicContact CH2-CG2 3.93Å; W332-V415 VanDerWaalsContact CH2-N 3.28Å; M411-V415 WeakPolarHBondContact O-CG2 3.08Å; M411-V415 PolarHBondContact O-N 2.93Å; I412-V415 PolarHBondContact O-N 3.5Å; V415-S417 VanDerWaalsContact C-N 3.25Å; V415-S417 PolarHBondContact O-N 3.27Å; V415-M418 HydrophobicContact CG2-CE 4.47Å; V415-M418 PolarHBondContact O-N 3.43Å; V415-V419 HydrophobicContact CG1-CG2 4.43Å; V415-V419 WeakPolarHBondContact O-CG2 3.11Å; V415-V419 PolarHBondContact O-N 2.85Å
416R94.3Very high88.6Confident180 Ų18072.3 Ų72.368%0.67935%0.346SS*.Hα-helixtrans-57.8-39.3176-73.7175.4175.4146.52.4111.9I412 V419 R420I412-R416 VanDerWaalsContact CG2-CZ 3.44Å; I412-R416 VanDerWaalsContact CG2-NH1 3.31Å; I412-R416 WeakPolarHBondContact O-CG 3.38Å; I412-R416 PolarHBondContact O-N 2.83Å; R416-V419 PolarHBondContact O-N 2.85Å; R416-R420 PolarHBondContact O-N 3.22Å
417S91.1Very high87.1Confident13 Ų1379.5 Ų79.59%0.09137%0.367CS..Hα-helixtrans-65.1-45.8175.7-58.90000112.6G337 A413 G414 V415 V419 R420 I421G337-S417 VanDerWaalsContact CA-CB 3.47Å; G337-S417 VanDerWaalsContact CA-OG 3.23Å; G337-S417 WeakPolarHBondContact CA-OG 3.39Å; A413-S417 WeakPolarHBondContact O-CB 3.01Å; A413-S417 PolarHBondContact O-N 2.82Å; A413-S417 PolarHBondContact O-OG 3.27Å; G414-S417 WeakPolarHBondContact O-CB 3.41Å; G414-S417 PolarHBondContact O-N 3.26Å; V415-S417 VanDerWaalsContact C-N 3.25Å; V415-S417 PolarHBondContact O-N 3.27Å; S417-V419 VanDerWaalsContact C-N 3.33Å; S417-V419 PolarHBondContact O-N 2.94Å; S417-R420 PolarHBondContact O-N 3.48Å; S417-I421 WeakPolarHBondContact O-CG1 3.42Å; S417-I421 PolarHBondContact O-N 3.31Å
418M87.7Confident85.8Confident22 Ų2288 Ų8811%0.10840%0.399CS..Hα-helixtrans-62.1-38.2174.5-71.7-163.9-55.600112.5W332 A336 G414 V415 I421 R422 M441 C445W332-M418 HydrophobicContact CH2-CE 4.32Å; W332-M418 HydrophobicContact CZ2-CE 3.63Å; W332-M418 HydrophobicContact CZ2-SD 4.02Å; A336-M418 HydrophobicContact CB-CG 4.45Å; G414-M418 WeakPolarHBondContact O-CG 3.47Å; G414-M418 PolarHBondContact O-N 3.02Å; V415-M418 HydrophobicContact CG2-CE 4.47Å; V415-M418 PolarHBondContact O-N 3.43Å; M418-I421 PolarHBondContact O-N 2.99Å; M418-R422 WeakPolarHBondContact O-CB 3.13Å; M418-R422 VanDerWaalsContact O-CG 3.29Å; M418-R422 WeakPolarHBondContact O-CG 3.48Å; M418-R422 PolarHBondContact O-N 2.85Å; M418-M441 HydrophobicContact SD-CB 3.73Å; M418-C445 HydrophobicContact CE-CB 4.16Å
419V88.6Confident84.4Confident71 Ų7189.5 Ų89.543%0.4342%0.415SS..Hα-helixtrans-66-41.7176.7171.40000111V415 R416 S417 R422 K423V415-V419 HydrophobicContact CG1-CG2 4.43Å; V415-V419 WeakPolarHBondContact O-CG2 3.11Å; V415-V419 PolarHBondContact O-N 2.85Å; R416-V419 PolarHBondContact O-N 2.85Å; S417-V419 VanDerWaalsContact C-N 3.33Å; S417-V419 PolarHBondContact O-N 2.94Å; V419-R422 PolarHBondContact O-N 3Å; V419-K423 PolarHBondContact O-N 3.22Å; V419-K423 VanDerWaalsContact O-N 3.16Å
420R87.6Confident83.1Confident165 Ų16591.6 Ų91.662%0.62342%0.423SS*.Hα-helixtrans-57.6-54173.1-173.8-176.8-66161.5-3110.9R416 S417 R422 K423 D424R416-R420 PolarHBondContact O-N 3.22Å; S417-R420 PolarHBondContact O-N 3.48Å; R420-R422 VanDerWaalsContact C-N 3.28Å; R420-R422 PolarHBondContact O-N 2.98Å; R420-K423 WeakPolarHBondContact O-CB 3.37Å; R420-K423 PolarHBondContact O-N 3.25Å; R420-D424 VanDerWaalsContact O-CG 3.31Å; R420-D424 PolarHBondContact O-N 2.63Å; R420-D424 VanDerWaalsContact O-N 3.08Å
421I80.6Confident82.3Confident49 Ų4992.4 Ų92.425%0.25143%0.429SS..Hα-helixtrans-54.9-41.8177.5-71.4173000112A336 S417 M418 K423 D424 M425A336-I421 WeakPolarHBondContact O-CD1 3.23Å; S417-I421 WeakPolarHBondContact O-CG1 3.42Å; S417-I421 PolarHBondContact O-N 3.31Å; M418-I421 PolarHBondContact O-N 2.99Å; I421-K423 VanDerWaalsContact C-N 3.31Å; I421-K423 PolarHBondContact O-N 3.33Å; I421-D424 PolarHBondContact O-N 2.99Å; I421-M425 HydrophobicContact CG2-CE 3.87Å; I421-M425 HydrophobicContact CG2-CG 4.21Å; I421-M425 HydrophobicContact CG2-SD 3.25Å; I421-M425 WeakPolarHBondContact CG2-SD 3.16Å; I421-M425 VanDerWaalsContact O-CB 3.27Å; I421-M425 WeakPolarHBondContact O-CB 3.44Å; I421-M425 WeakPolarHBondContact O-CG 3.28Å; I421-M425 PolarHBondContact O-N 3.19Å
422R81.1Confident81.7Confident108 Ų10895.4 Ų95.441%0.40845%0.449SS..Hα-helixtrans-64.6-31.1177.1-75.4175.9-172.9-167.54113.4M418 V419 R420M418-R422 WeakPolarHBondContact O-CB 3.13Å; M418-R422 VanDerWaalsContact O-CG 3.29Å; M418-R422 WeakPolarHBondContact O-CG 3.48Å; M418-R422 PolarHBondContact O-N 2.85Å; V419-R422 PolarHBondContact O-N 3Å; R420-R422 VanDerWaalsContact C-N 3.28Å; R420-R422 PolarHBondContact O-N 2.98Å
423K80.9Confident81Confident158 Ų15897.3 Ų97.369%0.68746%0.456SS*.Hα-helixtrans-71.2-47.8174.2-69.1-177.4178.4-169.90110.7V419 R420 I421 M425V419-K423 PolarHBondContact O-N 3.22Å; V419-K423 VanDerWaalsContact O-N 3.16Å; R420-K423 WeakPolarHBondContact O-CB 3.37Å; R420-K423 PolarHBondContact O-N 3.25Å; I421-K423 VanDerWaalsContact C-N 3.31Å; I421-K423 PolarHBondContact O-N 3.33Å; K423-M425 VanDerWaalsContact C-N 3.27Å; K423-M425 PolarHBondContact O-N 3.14Å
424D74.6Confident80.3Confident107 Ų10797.6 Ų97.657%0.57245%0.454SS*.Hα-helixtrans-64.9-30.4-177.5-54.2-17.8000112.6R420 I421R420-D424 VanDerWaalsContact O-CG 3.31Å; R420-D424 PolarHBondContact O-N 2.63Å; R420-D424 VanDerWaalsContact O-N 3.08Å; I421-D424 PolarHBondContact O-N 2.99Å
425M65.8Low79.7Confident38 Ų38102.4 Ų102.419%0.18748%0.476CS..G310 helixtrans-94.613.6-170.5-68.41804.300116.1I421 K423 Y427 R428 L434I421-M425 HydrophobicContact CG2-CE 3.87Å; I421-M425 HydrophobicContact CG2-CG 4.21Å; I421-M425 HydrophobicContact CG2-SD 3.25Å; I421-M425 WeakPolarHBondContact CG2-SD 3.16Å; I421-M425 VanDerWaalsContact O-CB 3.27Å; I421-M425 WeakPolarHBondContact O-CB 3.44Å; I421-M425 WeakPolarHBondContact O-CG 3.28Å; I421-M425 PolarHBondContact O-N 3.19Å; K423-M425 VanDerWaalsContact C-N 3.27Å; K423-M425 PolarHBondContact O-N 3.14Å; M425-Y427 PolarHBondContact O-N 2.95Å; M425-R428 PolarHBondContact O-N 3.43Å; M425-L434 HydrophobicContact CE-CD1 3.95Å; M425-L434 HydrophobicContact CE-CD2 3.71Å; M425-L434 HydrophobicContact CE-CG 3.53Å; M425-L434 HydrophobicContact CG-CD2 4.38Å; M425-L434 HydrophobicContact SD-CD1 3.67Å; M425-L434 HydrophobicContact SD-CD2 3.46Å; M425-L434 WeakPolarHBondContact SD-CD2 3.39Å; M425-L434 HydrophobicContact SD-CG 3.69Å
426R66.2Low79.3Confident226 Ų226104.9 Ų104.985%0.85348%0.482SS*.G310 helixtrans-53.2-26170-104.5-177.5174.4177.4-2.3112.9
427Y66.2Low78.9Confident221 Ų22199.9 Ų99.987%0.86747%0.468SS*.G310 helixtrans-95.2-4.5178.9-62.7-81.5000115.6M425M425-Y427 PolarHBondContact O-N 2.95Å
428R70.1Confident78.6Confident178 Ų178105.4 Ų105.467%0.67249%0.487SS*.  trans-117.728.2-175.3-63.4-168.9-176.5-168.50.3113.8M425 C430 D431 L434M425-R428 PolarHBondContact O-N 3.43Å; R428-C430 PolarHBondContact O-N 2.86Å; R428-C430 VanDerWaalsContact O-N 3.17Å; R428-D431 PolarHBondContact O-N 2.86Å; R428-L434 HydrophobicContact CB-CD2 4.28Å
429A67Low78.7Confident71 Ų71110.9 Ų110.959%0.58751%0.512SS*.THydrogen-bonded Turntrans-61.2-25.7-173.600000114.6D431 Q435A429-D431 VanDerWaalsContact C-N 3.33Å; A429-D431 PolarHBondContact O-N 3.21Å; A429-Q435 PolarHBondContact O-NE2 3Å
430C71.1Confident78.7Confident85 Ų85109 Ų10957%0.57450%0.5SS*.THydrogen-bonded Turntrans-77.4-9.5-178.1-163.70000114.7R428 T432 C582R428-C430 PolarHBondContact O-N 2.86Å; R428-C430 VanDerWaalsContact O-N 3.17Å; C430-T432 PolarHBondContact O-N 2.71Å; C430-T432 VanDerWaalsContact O-N 3.14Å; C430-C582 HydrophobicContact CB-CB 4.44Å
431D79.7Confident78.9Confident69 Ų69101.6 Ų101.637%0.36947%0.472SS..  trans-76.3103.2-179.4-176.6-20.5000111.2R428 A429 E433 L434 Q435R428-D431 PolarHBondContact O-N 2.86Å; A429-D431 VanDerWaalsContact C-N 3.33Å; A429-D431 PolarHBondContact O-N 3.21Å; D431-E433 PolarHBondContact O-N 3.1Å; D431-E433 PolarHBondContact OD1-N 3.12Å; D431-L434 HydrophobicContact CB-CB 3.72Å; D431-L434 HydrophobicContact CB-CD2 3.96Å; D431-L434 PolarHBondContact O-N 3.31Å; D431-L434 WeakPolarHBondContact OD1-CB 3.34Å; D431-L434 PolarHBondContact OD1-N 3.16Å; D431-L434 WeakPolarHBondContact OD2-CB 3.2Å; D431-Q435 WeakPolarHBondContact O-CG 3.44Å; D431-Q435 PolarHBondContact O-N 2.82Å
432T83.4Confident79.4Confident80 Ų80101.5 Ų101.549%0.49147%0.474SS..Hα-helixtrans-69.9-28.9-176.766.70000113.7C430 Q435 K436C430-T432 PolarHBondContact O-N 2.71Å; C430-T432 VanDerWaalsContact O-N 3.14Å; T432-Q435 PolarHBondContact O-N 3.36Å; T432-K436 VanDerWaalsContact O-CG 3.28Å; T432-K436 WeakPolarHBondContact O-CG 3.42Å; T432-K436 PolarHBondContact O-N 2.99Å
433E81.4Confident80Confident115 Ų115100.3 Ų100.354%0.53747%0.472SS..Hα-helixtrans-71.9-39.6175.8-68.4-51.6131.300110.6D431 Q435 K436 L437D431-E433 PolarHBondContact O-N 3.1Å; D431-E433 PolarHBondContact OD1-N 3.12Å; E433-Q435 VanDerWaalsContact C-N 3.34Å; E433-Q435 PolarHBondContact O-N 3.27Å; E433-K436 WeakPolarHBondContact O-CB 2.99Å; E433-K436 PolarHBondContact O-N 2.87Å; E433-K436 IonicContact OE1-NZ 2.59Å; E433-K436 PolarHBondContact OE1-NZ 3.44Å; E433-K436 IonicContact OE2-NZ 3.86Å; E433-L437 WeakPolarHBondContact O-CB 3.34Å; E433-L437 PolarHBondContact O-N 2.87Å
434L80.1Confident80.7Confident35 Ų3592.8 Ų92.818%0.18344%0.439CS..Hα-helixtrans-66.4-34.8174.8-169.954.7000112.4M425 R428 D431 R438M425-L434 HydrophobicContact CE-CD1 3.95Å; M425-L434 HydrophobicContact CE-CD2 3.71Å; M425-L434 HydrophobicContact CE-CG 3.53Å; M425-L434 HydrophobicContact CG-CD2 4.38Å; M425-L434 HydrophobicContact SD-CD1 3.67Å; M425-L434 HydrophobicContact SD-CD2 3.46Å; M425-L434 WeakPolarHBondContact SD-CD2 3.39Å; M425-L434 HydrophobicContact SD-CG 3.69Å; R428-L434 HydrophobicContact CB-CD2 4.28Å; D431-L434 HydrophobicContact CB-CB 3.72Å; D431-L434 HydrophobicContact CB-CD2 3.96Å; D431-L434 PolarHBondContact O-N 3.31Å; D431-L434 WeakPolarHBondContact OD1-CB 3.34Å; D431-L434 PolarHBondContact OD1-N 3.16Å; D431-L434 WeakPolarHBondContact OD2-CB 3.2Å; L434-R438 WeakPolarHBondContact O-CB 3.27Å; L434-R438 PolarHBondContact O-N 2.54Å
435Q83.5Confident81.7Confident100 Ų10088.8 Ų88.847%0.46742%0.419SS..Hα-helixtrans-63.7-47.1168.9-71.4-175.911.200112.1A429 D431 T432 E433 L437 R438 Q439A429-Q435 PolarHBondContact O-NE2 3Å; D431-Q435 WeakPolarHBondContact O-CG 3.44Å; D431-Q435 PolarHBondContact O-N 2.82Å; T432-Q435 PolarHBondContact O-N 3.36Å; E433-Q435 VanDerWaalsContact C-N 3.34Å; E433-Q435 PolarHBondContact O-N 3.27Å; Q435-L437 VanDerWaalsContact C-N 3.33Å; Q435-L437 PolarHBondContact O-N 3.25Å; Q435-R438 PolarHBondContact O-N 3.39Å; Q435-Q439 WeakPolarHBondContact O-CG 3.29Å; Q435-Q439 PolarHBondContact O-N 3.49Å
436K85.5Confident83.1Confident111 Ų11191.4 Ų91.448%0.48344%0.437SS..Hα-helixtrans-59.1-43.4175.7-69.6163.7-167.9167.10111.4T432 E433 Q439 L440T432-K436 VanDerWaalsContact O-CG 3.28Å; T432-K436 WeakPolarHBondContact O-CG 3.42Å; T432-K436 PolarHBondContact O-N 2.99Å; E433-K436 WeakPolarHBondContact O-CB 2.99Å; E433-K436 PolarHBondContact O-N 2.87Å; E433-K436 IonicContact OE1-NZ 2.59Å; E433-K436 PolarHBondContact OE1-NZ 3.44Å; E433-K436 IonicContact OE2-NZ 3.86Å; K436-Q439 PolarHBondContact O-N 3.11Å; K436-L440 PolarHBondContact O-N 2.8Å
437L84.6Confident84.6Confident75 Ų7581 Ų8139%0.39340%0.398SS..Hα-helixtrans-61.6-45.3175.7-171.869.4000111.3E433 Q435 Q439 L440 M441E433-L437 WeakPolarHBondContact O-CB 3.34Å; E433-L437 PolarHBondContact O-N 2.87Å; Q435-L437 VanDerWaalsContact C-N 3.33Å; Q435-L437 PolarHBondContact O-N 3.25Å; L437-Q439 VanDerWaalsContact C-N 3.34Å; L437-Q439 PolarHBondContact O-N 3.11Å; L437-L440 WeakPolarHBondContact O-CB 3.34Å; L437-L440 PolarHBondContact O-N 3.15Å; L437-M441 HydrophobicContact CD1-CE 3.78Å; L437-M441 HydrophobicContact CG-CE 4.17Å; L437-M441 WeakPolarHBondContact O-CG 3.4Å; L437-M441 PolarHBondContact O-N 3.12Å
438R85.1Confident86Confident129 Ų12970.5 Ų70.549%0.48736%0.357SS..Hα-helixtrans-60.3-40.8176.1176.9178.5167.6178.3-4.5112.4L434 Q435 T442L434-R438 WeakPolarHBondContact O-CB 3.27Å; L434-R438 PolarHBondContact O-N 2.54Å; Q435-R438 PolarHBondContact O-N 3.39Å; R438-T442 WeakPolarHBondContact O-CB 3.48Å; R438-T442 PolarHBondContact O-N 3.4Å; R438-T442 PolarHBondContact O-OG1 3.27Å
439Q88.8Confident87.3Confident137 Ų13766.5 Ų66.564%0.6435%0.349SS*.Hα-helixtrans-62.9-45.5174.7-71.4176.8-1.700111.2Q435 K436 L437 T442 K443Q435-Q439 WeakPolarHBondContact O-CG 3.29Å; Q435-Q439 PolarHBondContact O-N 3.49Å; K436-Q439 PolarHBondContact O-N 3.11Å; L437-Q439 VanDerWaalsContact C-N 3.34Å; L437-Q439 PolarHBondContact O-N 3.11Å; Q439-T442 PolarHBondContact O-N 2.96Å; Q439-K443 PolarHBondContact O-N 3.42Å
440L90.3Very high88.7Confident32 Ų3266 Ų6617%0.16834%0.336CS..Hα-helixtrans-59.2-49175.5178.362.3000112.1K257 K436 L437 T442 K443 I444 W532K257-L440 HydrophobicContact CB-CD1 4.37Å; K257-L440 HydrophobicContact CD-CD1 4.25Å; K436-L440 PolarHBondContact O-N 2.8Å; L437-L440 WeakPolarHBondContact O-CB 3.34Å; L437-L440 PolarHBondContact O-N 3.15Å; L440-T442 VanDerWaalsContact C-N 3.3Å; L440-T442 PolarHBondContact O-N 2.98Å; L440-K443 PolarHBondContact O-N 3.27Å; L440-I444 HydrophobicContact CD1-CD1 4.3Å; L440-I444 HydrophobicContact CD1-CG1 4.48Å; L440-I444 HydrophobicContact CG-CD1 4.2Å; L440-I444 WeakPolarHBondContact O-CG1 3.43Å; L440-I444 PolarHBondContact O-N 2.91Å; L440-W532 HydrophobicContact CD1-CZ3 4.13Å
441M90.7Very high90Very high9 Ų962.3 Ų62.34%0.04431%0.31CS..Hα-helixtrans-63-36.5178.6-64.1-47.8-174.900112.3W332 A335 A336 M418 L437 I444 C445W332-M441 VanDerWaalsContact CD1-SD 3.54Å; W332-M441 PolarHBondContact NE1-O 2.98Å; A335-M441 HydrophobicContact CB-CE 3.36Å; A336-M441 HydrophobicContact CB-CE 4.36Å; A336-M441 HydrophobicContact CB-SD 4.45Å; M418-M441 HydrophobicContact SD-CB 3.73Å; L437-M441 HydrophobicContact CD1-CE 3.78Å; L437-M441 HydrophobicContact CG-CE 4.17Å; L437-M441 WeakPolarHBondContact O-CG 3.4Å; L437-M441 PolarHBondContact O-N 3.12Å; M441-I444 HydrophobicContact SD-CD1 4.37Å; M441-C445 WeakPolarHBondContact O-CB 3.49Å; M441-C445 PolarHBondContact O-N 2.62Å
442T91.6Very high90.9Very high48 Ų4861.7 Ų61.729%0.29430%0.304SS..Hα-helixtrans-67-41.6175.8-53.60000110.6R438 Q439 L440 C445 V446R438-T442 WeakPolarHBondContact O-CB 3.48Å; R438-T442 PolarHBondContact O-N 3.4Å; R438-T442 PolarHBondContact O-OG1 3.27Å; Q439-T442 PolarHBondContact O-N 2.96Å; L440-T442 VanDerWaalsContact C-N 3.3Å; L440-T442 PolarHBondContact O-N 2.98Å; T442-C445 WeakPolarHBondContact O-CB 3.24Å; T442-C445 PolarHBondContact O-N 3.45Å; T442-V446 WeakPolarHBondContact O-CG2 3.06Å; T442-V446 PolarHBondContact O-N 3.04Å
443K94.3Very high91.5Very high82 Ų8261.4 Ų61.436%0.35730%0.302SS..Hα-helixtrans-63-42.5176.2-172.4173.6-176.9159.40112.7Q439 L440 F447 L531 W532Q439-K443 PolarHBondContact O-N 3.42Å; L440-K443 PolarHBondContact O-N 3.27Å; K443-F447 WeakPolarHBondContact O-CB 3.43Å; K443-F447 PolarHBondContact O-N 3.21Å; K443-F447 VanDerWaalsContact O-N 3.07Å; K443-L531 PolarHBondContact NZ-O 3.35Å; K443-W532 HydrophobicContact CB-CH2 4.27Å; K443-W532 HydrophobicContact CD-CD2 4.38Å; K443-W532 HydrophobicContact CD-CE3 4.12Å; K443-W532 HydrophobicContact CD-CH2 4.07Å; K443-W532 HydrophobicContact CD-CZ2 4.36Å; K443-W532 HydrophobicContact CD-CZ3 3.96Å; K443-W532 HydrophobicContact CG-CH2 3.75Å; K443-W532 HydrophobicContact CG-CZ2 3.89Å; K443-W532 HydrophobicContact CG-CZ3 4.16Å
444I94.8Very high92.3Very high0 Ų056.3 Ų56.30%028%0.279CS..Hα-helixtrans-62-46.2174.4-62.2165.6000110.1P256 L328 W332 L440 M441 V446 F447 S448 W532P256-I444 HydrophobicContact CB-CD1 4.37Å; P256-I444 HydrophobicContact CG-CD1 3.82Å; L328-I444 HydrophobicContact CD1-CG2 3.84Å; L328-I444 HydrophobicContact CD2-CG2 4.35Å; L328-I444 HydrophobicContact CG-CG2 3.89Å; W332-I444 HydrophobicContact CB-CG2 3.8Å; W332-I444 HydrophobicContact CD2-CG2 4.44Å; W332-I444 HydrophobicContact CG-CB 4.2Å; W332-I444 HydrophobicContact CG-CG2 3.67Å; L440-I444 HydrophobicContact CD1-CD1 4.3Å; L440-I444 HydrophobicContact CD1-CG1 4.48Å; L440-I444 HydrophobicContact CG-CD1 4.2Å; L440-I444 WeakPolarHBondContact O-CG1 3.43Å; L440-I444 PolarHBondContact O-N 2.91Å; M441-I444 HydrophobicContact SD-CD1 4.37Å; I444-V446 PolarHBondContact O-N 2.92Å; I444-F447 PolarHBondContact O-N 3.14Å; I444-S448 WeakPolarHBondContact O-CB 3.26Å; I444-S448 PolarHBondContact O-N 3.07Å; I444-S448 PolarHBondContact O-OG 3.28Å; I444-W532 HydrophobicContact CB-CH2 4.41Å; I444-W532 HydrophobicContact CG1-CH2 3.61Å; I444-W532 HydrophobicContact CG1-CZ3 4.39Å
445C95.2Very high93Very high23 Ų2355.4 Ų55.416%0.15528%0.275CS..Hα-helixtrans-56.9-47.7179.5-169.20000112.9W332 M418 M441 T442 S448 L449W332-C445 HydrophobicContact CH2-CB 4.34Å; W332-C445 HydrophobicContact CZ2-CB 3.58Å; M418-C445 HydrophobicContact CE-CB 4.16Å; M441-C445 WeakPolarHBondContact O-CB 3.49Å; M441-C445 PolarHBondContact O-N 2.62Å; T442-C445 WeakPolarHBondContact O-CB 3.24Å; T442-C445 PolarHBondContact O-N 3.45Å; C445-S448 PolarHBondContact O-N 3.47Å; C445-L449 WeakPolarHBondContact O-CB 3.34Å; C445-L449 PolarHBondContact O-N 3.06Å
446V95.7Very high93.7Very high93 Ų9354.4 Ų54.456%0.56427%0.272SS*.Hα-helixtrans-64.9-43.8178.4173.40000111.4T442 I444 L449 L450T442-V446 WeakPolarHBondContact O-CG2 3.06Å; T442-V446 PolarHBondContact O-N 3.04Å; I444-V446 PolarHBondContact O-N 2.92Å; V446-L449 PolarHBondContact O-N 3.2Å; V446-L450 PolarHBondContact O-N 2.81Å
447F96.9Very high94.2Very high8 Ų850.9 Ų50.94%0.03526%0.26CS..Hα-helixtrans-63.7-44.8177.5-179.1-95.4000112.3V260 I263 L328 K443 I444 L449 L450 Y451 V525 V528 W532V260-F447 HydrophobicContact CG1-CZ 4.31Å; V260-F447 HydrophobicContact CG2-CD1 4.44Å; V260-F447 HydrophobicContact CG2-CE1 4.25Å; I263-F447 HydrophobicContact CD1-CE1 4.02Å; I263-F447 HydrophobicContact CG2-CZ 4.31Å; L328-F447 HydrophobicContact CD2-CD1 3.67Å; L328-F447 HydrophobicContact CD2-CE1 3.91Å; K443-F447 WeakPolarHBondContact O-CB 3.43Å; K443-F447 PolarHBondContact O-N 3.21Å; K443-F447 VanDerWaalsContact O-N 3.07Å; I444-F447 PolarHBondContact O-N 3.14Å; F447-L449 VanDerWaalsContact C-N 3.32Å; F447-L449 PolarHBondContact O-N 3.17Å; F447-L450 PolarHBondContact O-N 2.79Å; F447-Y451 WeakPolarHBondContact O-CB 3.24Å; F447-Y451 PolarHBondContact O-N 3.11Å; F447-V525 HydrophobicContact CZ-CG1 4.25Å; F447-V528 HydrophobicContact CD2-CG1 3.84Å; F447-V528 HydrophobicContact CE2-CG1 3.99Å; F447-W532 HydrophobicContact CB-CZ2 3.81Å; F447-W532 HydrophobicContact CD1-CZ2 4.38Å; F447-W532 AromaticContact CD2-NE1 3.3Å; F447-W532 VanDerWaalsContact CD2-NE1 3.3Å; F447-W532 AromaticContact CE2-NE1 3.68Å; F447-W532 AromaticContact CG-CZ2 3.99Å; F447-W532 HydrophobicContact CG-CZ2 3.99Å; F447-W532 AromaticContact CG-NE1 3.63Å
448S97.1Very high94.7Very high1 Ų148.2 Ų48.21%0.00725%0.247CC..Hα-helixtrans-64.9-34.3177.1-72.30000112.7W325 I444 C445 F452W325-S448 PolarHBondContact NE1-O 3.35Å; I444-S448 WeakPolarHBondContact O-CB 3.26Å; I444-S448 PolarHBondContact O-N 3.07Å; I444-S448 PolarHBondContact O-OG 3.28Å; C445-S448 PolarHBondContact O-N 3.47Å; S448-F452 PolarHBondContact O-N 2.84Å; S448-F452 VanDerWaalsContact O-N 3.07Å
449L97Very high95.2Very high93 Ų9343.2 Ų43.249%0.48723%0.229SC..Hα-helixtrans-68.3-46.1175.317961.6000111.2M411 C445 V446 F447 Y451 F452 V453M411-L449 HydrophobicContact CE-CB 3.79Å; M411-L449 HydrophobicContact CE-CD1 4.41Å; C445-L449 WeakPolarHBondContact O-CB 3.34Å; C445-L449 PolarHBondContact O-N 3.06Å; V446-L449 PolarHBondContact O-N 3.2Å; F447-L449 VanDerWaalsContact C-N 3.32Å; F447-L449 PolarHBondContact O-N 3.17Å; L449-Y451 VanDerWaalsContact C-N 3.33Å; L449-Y451 PolarHBondContact O-N 3.49Å; L449-F452 PolarHBondContact O-N 3.36Å; L449-V453 HydrophobicContact CD1-CG2 4.36Å; L449-V453 WeakPolarHBondContact O-CG2 3.26Å; L449-V453 PolarHBondContact O-N 3.23Å
450L97Very high95.5Very high60 Ų6041.5 Ų41.531%0.31422%0.224SC..Hα-helixtrans-59-45.7176.3-176.8150.1000111V446 F447 F452 V453 T454 T524 V528V446-L450 PolarHBondContact O-N 2.81Å; F447-L450 PolarHBondContact O-N 2.79Å; L450-F452 VanDerWaalsContact C-N 3.34Å; L450-F452 PolarHBondContact O-N 3.21Å; L450-V453 PolarHBondContact O-N 2.95Å; L450-T454 HydrophobicContact CD2-CG2 4.13Å; L450-T454 WeakPolarHBondContact O-CG2 3.47Å; L450-T454 PolarHBondContact O-N 3.13Å; L450-T454 PolarHBondContact O-OG1 2.98Å; L450-T454 VanDerWaalsContact O-OG1 3.13Å; L450-T524 HydrophobicContact CD2-CG2 4.28Å; L450-V528 HydrophobicContact CD1-CG1 4.19Å; L450-V528 HydrophobicContact CD1-CG2 4.02Å; L450-V528 HydrophobicContact CD2-CB 4.25Å; L450-V528 HydrophobicContact CD2-CG1 4.2Å; L450-V528 HydrophobicContact CD2-CG2 4.03Å
451Y97.8Very high95.6Very high8 Ų840.2 Ų40.23%0.03122%0.217CC..Hα-helixtrans-55.6-46.4174.7-173.5-66.4000112.2I263 S321 V322 W325 F447 L449 T454 T455 V525I263-Y451 HydrophobicContact CD1-CE2 4.4Å; I263-Y451 HydrophobicContact CG2-CD2 4.47Å; I263-Y451 HydrophobicContact CG2-CE2 4.1Å; S321-Y451 WeakPolarHBondContact CB-OH 3.15Å; S321-Y451 PolarHBondContact O-OH 2.95Å; S321-Y451 WeakPolarHBondContact OG-CE2 3.41Å; S321-Y451 PolarHBondContact OG-OH 3.31Å; V322-Y451 WeakPolarHBondContact CA-OH 3.28Å; V322-Y451 HydrophobicContact CG2-CE1 4.37Å; V322-Y451 WeakPolarHBondContact CG2-OH 3.35Å; V322-Y451 PolarHBondContact N-OH 3.43Å; V322-Y451 VanDerWaalsContact N-OH 3.15Å; W325-Y451 HydrophobicContact CB-CD1 3.89Å; W325-Y451 HydrophobicContact CB-CD2 4Å; W325-Y451 HydrophobicContact CB-CE1 3.69Å; W325-Y451 HydrophobicContact CB-CE2 3.8Å; W325-Y451 HydrophobicContact CB-CG 4.11Å; W325-Y451 VanDerWaalsContact CD1-CB 3.43Å; W325-Y451 AromaticContact CD1-CD1 3.28Å; W325-Y451 AromaticContact CD1-CD2 3.67Å; W325-Y451 AromaticContact CD1-CG 3.14Å; W325-Y451 AromaticContact CD2-CD1 3.78Å; W325-Y451 HydrophobicContact CD2-CD1 3.78Å; W325-Y451 HydrophobicContact CD2-CE1 4.08Å; W325-Y451 HydrophobicContact CD2-CG 4.42Å; W325-Y451 AromaticContact CE2-CD1 3.92Å; W325-Y451 AromaticContact CG-CD1 3.38Å; W325-Y451 HydrophobicContact CG-CD1 3.38Å; W325-Y451 HydrophobicContact CG-CD2 4.03Å; W325-Y451 AromaticContact CG-CE1 3.66Å; W325-Y451 HydrophobicContact CG-CE1 3.66Å; W325-Y451 HydrophobicContact CG-CE2 4.27Å; W325-Y451 AromaticContact CG-CG 3.66Å; W325-Y451 HydrophobicContact CG-CG 3.66Å; W325-Y451 AromaticContact NE1-CD1 3.58Å; W325-Y451 AromaticContact NE1-CG 3.65Å; F447-Y451 WeakPolarHBondContact O-CB 3.24Å; F447-Y451 PolarHBondContact O-N 3.11Å; L449-Y451 VanDerWaalsContact C-N 3.33Å; L449-Y451 PolarHBondContact O-N 3.49Å; Y451-T454 PolarHBondContact O-OG1 3.31Å; Y451-T455 WeakPolarHBondContact CD1-OG1 3.34Å; Y451-T455 VanDerWaalsContact CE1-OG1 3.23Å; Y451-T455 WeakPolarHBondContact CE1-OG1 3.44Å; Y451-T455 WeakPolarHBondContact O-CB 3.38Å; Y451-T455 PolarHBondContact O-N 3.48Å; Y451-T455 PolarHBondContact O-OG1 2.03Å; Y451-V525 HydrophobicContact CD2-CB 4.25Å; Y451-V525 HydrophobicContact CD2-CG1 3.35Å; Y451-V525 HydrophobicContact CD2-CG2 3.85Å; Y451-V525 HydrophobicContact CE2-CB 4.49Å; Y451-V525 HydrophobicContact CE2-CG1 3.6Å; Y451-V525 HydrophobicContact CE2-CG2 4.31Å; Y451-V525 HydrophobicContact CG-CG1 4.38Å; Y451-V525 HydrophobicContact CG-CG2 4.14Å
452F97.6Very high95.6Very high56 Ų5640.3 Ų40.325%0.24622%0.219CC..Hα-helixtrans-63.1-45.3179174.1-107.2000111.5W325 V408 S448 L449 L450 T455 L456W325-F452 HydrophobicContact CH2-CD2 4.43Å; W325-F452 HydrophobicContact CZ2-CB 3.97Å; V408-F452 HydrophobicContact CG2-CD1 4.36Å; V408-F452 HydrophobicContact CG2-CD2 3.59Å; V408-F452 HydrophobicContact CG2-CE1 4.25Å; V408-F452 HydrophobicContact CG2-CE2 3.47Å; V408-F452 VanDerWaalsContact CG2-CE2 3.47Å; V408-F452 HydrophobicContact CG2-CG 4.05Å; V408-F452 HydrophobicContact CG2-CZ 3.83Å; S448-F452 PolarHBondContact O-N 2.84Å; S448-F452 VanDerWaalsContact O-N 3.07Å; L449-F452 PolarHBondContact O-N 3.36Å; L450-F452 VanDerWaalsContact C-N 3.34Å; L450-F452 PolarHBondContact O-N 3.21Å; F452-T455 PolarHBondContact O-N 3.01Å; F452-L456 HydrophobicContact CE1-CD2 4.45Å; F452-L456 HydrophobicContact CZ-CD2 4.49Å; F452-L456 WeakPolarHBondContact O-CB 3.43Å; F452-L456 PolarHBondContact O-N 2.94Å
453V97.3Very high95.6Very high75 Ų7539.7 Ų39.746%0.45522%0.218SC..Hα-helixtrans-62.1-46.6178.5172.20000111.4L449 L450 T455 L456 V457L449-V453 HydrophobicContact CD1-CG2 4.36Å; L449-V453 WeakPolarHBondContact O-CG2 3.26Å; L449-V453 PolarHBondContact O-N 3.23Å; L450-V453 PolarHBondContact O-N 2.95Å; V453-T455 VanDerWaalsContact C-N 3.34Å; V453-T455 PolarHBondContact O-N 3.25Å; V453-L456 PolarHBondContact O-N 3.09Å; V453-V457 WeakPolarHBondContact O-CG2 3.5Å; V453-V457 PolarHBondContact O-N 3.29Å
454T97Very high95.4Very high8 Ų839.1 Ų39.15%0.04921%0.214CC..Hα-helixtrans-63.9-39.5177.452.40000111.9L450 Y451 V457 V458 M521 T524 V525L450-T454 HydrophobicContact CD2-CG2 4.13Å; L450-T454 WeakPolarHBondContact O-CG2 3.47Å; L450-T454 PolarHBondContact O-N 3.13Å; L450-T454 PolarHBondContact O-OG1 2.98Å; L450-T454 VanDerWaalsContact O-OG1 3.13Å; Y451-T454 PolarHBondContact O-OG1 3.31Å; T454-V457 PolarHBondContact O-N 3.38Å; T454-V458 WeakPolarHBondContact O-CG2 3.42Å; T454-V458 PolarHBondContact O-N 3.48Å; T454-M521 HydrophobicContact CG2-SD 4.06Å; T454-T524 HydrophobicContact CG2-CG2 3.81Å; T454-V525 WeakPolarHBondContact OG1-CG2 3.49Å
455T96.2Very high95Very high16 Ų1640.7 Ų40.710%0.09822%0.222CC..Hα-helixtrans-64.1-42.1176.5-550000111.3I400 Y451 F452 V453 V458 L459I400-T455 HydrophobicContact CG2-CG2 3.62Å; Y451-T455 WeakPolarHBondContact CD1-OG1 3.34Å; Y451-T455 VanDerWaalsContact CE1-OG1 3.23Å; Y451-T455 WeakPolarHBondContact CE1-OG1 3.44Å; Y451-T455 WeakPolarHBondContact O-CB 3.38Å; Y451-T455 PolarHBondContact O-N 3.48Å; Y451-T455 PolarHBondContact O-OG1 2.03Å; F452-T455 PolarHBondContact O-N 3.01Å; V453-T455 VanDerWaalsContact C-N 3.34Å; V453-T455 PolarHBondContact O-N 3.25Å; T455-V458 PolarHBondContact O-N 3Å; T455-L459 WeakPolarHBondContact O-CG 3.44Å; T455-L459 PolarHBondContact O-N 2.84Å
456L96.8Very high94.5Very high78 Ų7840.4 Ų40.441%0.40822%0.217SC..Hα-helixtrans-62.8-43176.6-178.962.1000111.7F452 V453 L459 I460F452-L456 HydrophobicContact CE1-CD2 4.45Å; F452-L456 HydrophobicContact CZ-CD2 4.49Å; F452-L456 WeakPolarHBondContact O-CB 3.43Å; F452-L456 PolarHBondContact O-N 2.94Å; V453-L456 PolarHBondContact O-N 3.09Å; L456-L459 PolarHBondContact O-N 2.88Å; L456-I460 HydrophobicContact CD1-CD1 4.26Å; L456-I460 HydrophobicContact CG-CD1 4Å; L456-I460 VanDerWaalsContact O-CG1 3.28Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 2.77Å
457V97.2Very high93.9Very high38 Ų3839.7 Ų39.723%0.2321%0.213CC..Hα-helixtrans-63.5-41.7175.9177.10000111.3V453 T454 I460 C461 L517 M521V453-V457 WeakPolarHBondContact O-CG2 3.5Å; V453-V457 PolarHBondContact O-N 3.29Å; T454-V457 PolarHBondContact O-N 3.38Å; V457-I460 PolarHBondContact O-N 3.32Å; V457-C461 PolarHBondContact O-N 3.12Å; V457-C461 PolarHBondContact O-SG 2.87Å; V457-L517 HydrophobicContact CG1-CD1 4.4Å; V457-L517 HydrophobicContact CG1-CD2 3.89Å; V457-L517 HydrophobicContact CG1-CG 3.99Å; V457-M521 HydrophobicContact CB-CG 4.23Å; V457-M521 HydrophobicContact CG1-CB 4.39Å; V457-M521 HydrophobicContact CG1-CG 3.79Å
458V95.5Very high93Very high19 Ų1941.1 Ų41.112%0.11522%0.219CC..Hα-helixtrans-59.6-46.1174.5166.60000111.5T454 T455 I460 C461 V462 M521 S522T454-V458 WeakPolarHBondContact O-CG2 3.42Å; T454-V458 PolarHBondContact O-N 3.48Å; T455-V458 PolarHBondContact O-N 3Å; V458-I460 VanDerWaalsContact C-N 3.34Å; V458-I460 PolarHBondContact O-N 3.42Å; V458-C461 PolarHBondContact O-N 2.72Å; V458-V462 WeakPolarHBondContact O-CG2 3.48Å; V458-V462 PolarHBondContact O-N 3.08Å; V458-M521 HydrophobicContact CG2-CB 3.88Å; V458-S522 WeakPolarHBondContact CG2-OG 3.1Å
459L94.4Very high91.9Very high23 Ų2341.5 Ų41.512%0.1222%0.222CC..Hα-helixtrans-61.9-39.7176.1-70179.4000112.5F396 V397 I400 T455 L456 V462 A463F396-L459 HydrophobicContact CE1-CD2 4.21Å; V397-L459 HydrophobicContact CG1-CD2 4.36Å; V397-L459 HydrophobicContact CG2-CD2 4.49Å; I400-L459 HydrophobicContact CB-CD2 4.3Å; I400-L459 HydrophobicContact CG2-CD1 3.96Å; I400-L459 HydrophobicContact CG2-CD2 4.12Å; I400-L459 HydrophobicContact CG2-CG 4.31Å; T455-L459 WeakPolarHBondContact O-CG 3.44Å; T455-L459 PolarHBondContact O-N 2.84Å; L456-L459 PolarHBondContact O-N 2.88Å; L459-V462 PolarHBondContact O-N 3.04Å; L459-A463 WeakPolarHBondContact O-CB 3.1Å; L459-A463 PolarHBondContact O-N 3.46Å
460I94.6Very high90.6Very high102 Ų10239.1 Ų39.152%0.52321%0.209SC..Hα-helixtrans-64.8-41.7175.4-68.4164.4000110.9L456 V457 V458 A463 Y464L456-I460 HydrophobicContact CD1-CD1 4.26Å; L456-I460 HydrophobicContact CG-CD1 4Å; L456-I460 VanDerWaalsContact O-CG1 3.28Å; L456-I460 WeakPolarHBondContact O-CG1 3.46Å; L456-I460 PolarHBondContact O-N 2.77Å; V457-I460 PolarHBondContact O-N 3.32Å; V458-I460 VanDerWaalsContact C-N 3.34Å; V458-I460 PolarHBondContact O-N 3.42Å; I460-A463 PolarHBondContact O-N 3.1Å; I460-Y464 WeakPolarHBondContact O-CB 3.39Å; I460-Y464 PolarHBondContact O-N 3.13Å
461C94.1Very high89.3Confident5 Ų540 Ų403%0.03422%0.215CC..Hα-helixtrans-63.9-41.5177-64.40000112.1V457 V458 Y464 E465 V514 N518V457-C461 PolarHBondContact O-N 3.12Å; V457-C461 PolarHBondContact O-SG 2.87Å; V458-C461 PolarHBondContact O-N 2.72Å; C461-Y464 WeakPolarHBondContact O-CB 3.34Å; C461-Y464 PolarHBondContact O-N 3.48Å; C461-E465 PolarHBondContact O-N 2.8Å; C461-V514 HydrophobicContact CB-CG1 3.98Å; C461-N518 HydrophobicContact CB-CB 3.72Å
462V90.8Very high88Confident11 Ų1140.3 Ų40.37%0.06722%0.217CC..Hα-helixtrans-69.2-37.3177.2171.30000111.7L392 F396 V458 L459 E465 R466L392-V462 HydrophobicContact CD1-CG1 3.92Å; L392-V462 HydrophobicContact CD2-CG1 4.34Å; L392-V462 HydrophobicContact CG-CG1 4.49Å; F396-V462 HydrophobicContact CD1-CG1 4.28Å; F396-V462 HydrophobicContact CE1-CB 4.5Å; F396-V462 HydrophobicContact CE1-CG1 4.21Å; F396-V462 HydrophobicContact CE1-CG2 4.17Å; V458-V462 WeakPolarHBondContact O-CG2 3.48Å; V458-V462 PolarHBondContact O-N 3.08Å; L459-V462 PolarHBondContact O-N 3.04Å; V462-E465 PolarHBondContact O-N 3.39Å; V462-R466 WeakPolarHBondContact O-CB 3.13Å; V462-R466 PolarHBondContact O-N 3Å
463A90.2Very high86.4Confident35 Ų3540.2 Ų40.229%0.28921%0.214SC..Hα-helixtrans-66-38.6172.500000112.1L459 I460 R466 V467L459-A463 WeakPolarHBondContact O-CB 3.1Å; L459-A463 PolarHBondContact O-N 3.46Å; I460-A463 PolarHBondContact O-N 3.1Å; A463-R466 PolarHBondContact O-N 2.81Å; A463-V467 WeakPolarHBondContact O-CG2 3.35Å; A463-V467 PolarHBondContact O-N 2.74Å
464Y90Very high84.6Confident69 Ų6944.3 Ų44.327%0.27122%0.222SC..Hα-helixtrans-61.2-49.9172.2171.5-86.9000111.3I460 C461 R466 V467 F468 V511 V514I460-Y464 WeakPolarHBondContact O-CB 3.39Å; I460-Y464 PolarHBondContact O-N 3.13Å; C461-Y464 WeakPolarHBondContact O-CB 3.34Å; C461-Y464 PolarHBondContact O-N 3.48Å; Y464-R466 VanDerWaalsContact C-N 3.32Å; Y464-R466 PolarHBondContact O-N 2.9Å; Y464-V467 PolarHBondContact O-N 3.49Å; Y464-F468 HydrophobicContact CE1-CB 4.27Å; Y464-F468 HydrophobicContact CE1-CD2 4.47Å; Y464-F468 HydrophobicContact CE1-CG 4.46Å; Y464-F468 HydrophobicContact CE2-CD2 4.32Å; Y464-F468 AromaticContact CZ-CD2 3.85Å; Y464-F468 VanDerWaalsContact O-CB 3.27Å; Y464-F468 WeakPolarHBondContact O-CB 3.46Å; Y464-F468 PolarHBondContact O-N 2.76Å; Y464-F468 WeakPolarHBondContact OH-CD2 3.48Å; Y464-V511 WeakPolarHBondContact OH-CG2 3.16Å; Y464-V511 PolarHBondContact OH-N 3.07Å; Y464-V514 HydrophobicContact CD1-CB 4.03Å; Y464-V514 HydrophobicContact CD1-CG1 3.59Å; Y464-V514 HydrophobicContact CD1-CG2 4.19Å; Y464-V514 HydrophobicContact CE1-CB 4.07Å; Y464-V514 HydrophobicContact CE1-CG1 4.16Å; Y464-V514 HydrophobicContact CE1-CG2 4.02Å; Y464-V514 HydrophobicContact CG-CG1 4.06Å
465E86.9Confident82.8Confident33 Ų3346.9 Ų46.915%0.15424%0.235CC..Hα-helixtrans-54-48.7175.4173.3167.5-160.200110.6N376 C461 V462 V467 F468 V469 Y515N376-E465 PolarHBondContact ND2-OE1 3.4Å; C461-E465 PolarHBondContact O-N 2.8Å; V462-E465 PolarHBondContact O-N 3.39Å; E465-V467 PolarHBondContact O-N 2.99Å; E465-F468 PolarHBondContact O-N 3.5Å; E465-V469 HydrophobicContact CG-CG2 4.18Å; E465-V469 VanDerWaalsContact O-CB 3.28Å; E465-V469 WeakPolarHBondContact O-CB 3.38Å; E465-V469 VanDerWaalsContact O-CG2 3.28Å; E465-V469 WeakPolarHBondContact O-CG2 3.42Å; E465-V469 PolarHBondContact O-N 3.5Å; E465-Y515 VanDerWaalsContact CD-CE1 3.5Å; E465-Y515 HydrophobicContact CG-CE1 4.07Å; E465-Y515 VanDerWaalsContact OE1-CE1 3.32Å; E465-Y515 WeakPolarHBondContact OE1-CE1 3.39Å
466R85.4Confident80.9Confident17 Ų1746.7 Ų46.76%0.06424%0.235CC..Hα-helixtrans-57.4-47.1176.6173.658.6-169.171-18.7113.5S386 N389 L392 Y393 V462 A463 Y464 D470S386-R466 WeakPolarHBondContact O-CD 3.38Å; S386-R466 PolarHBondContact O-NE 3.25Å; N389-R466 PolarHBondContact ND2-NH2 2.96Å; N389-R466 PolarHBondContact OD1-NE 2.78Å; N389-R466 PolarHBondContact OD1-NH2 3.2Å; N389-R466 VanDerWaalsContact OD1-NH2 3.1Å; L392-R466 HydrophobicContact CD2-CB 3.73Å; L392-R466 HydrophobicContact CD2-CG 3.9Å; Y393-R466 HydrophobicContact CE2-CG 4.13Å; V462-R466 WeakPolarHBondContact O-CB 3.13Å; V462-R466 PolarHBondContact O-N 3Å; A463-R466 PolarHBondContact O-N 2.81Å; Y464-R466 VanDerWaalsContact C-N 3.32Å; Y464-R466 PolarHBondContact O-N 2.9Å; R466-D470 IonicContact CZ-OD2 3.95Å; R466-D470 VanDerWaalsContact CZ-OD2 3.28Å; R466-D470 IonicContact NH1-OD2 2.65Å; R466-D470 PolarHBondContact NH1-OD2 3.21Å; R466-D470 VanDerWaalsContact NH2-CG 3.34Å; R466-D470 IonicContact NH2-OD1 2.7Å; R466-D470 IonicContact NH2-OD2 3.33Å; R466-D470 PolarHBondContact NH2-OD2 3.28Å; R466-D470 VanDerWaalsContact O-CB 3.29Å; R466-D470 WeakPolarHBondContact O-CB 3.36Å; R466-D470 PolarHBondContact O-N 3.23Å
467V82.5Confident78.6Confident79 Ų7946.2 Ų46.248%0.47924%0.242SC..Hα-helixtrans-69.5-38.7-178.7170.30000110.4A463 Y464 E465 N471A463-V467 WeakPolarHBondContact O-CG2 3.35Å; A463-V467 PolarHBondContact O-N 2.74Å; Y464-V467 PolarHBondContact O-N 3.49Å; E465-V467 PolarHBondContact O-N 2.99Å; V467-N471 WeakPolarHBondContact O-CB 3.09Å; V467-N471 VanDerWaalsContact O-CG 3.28Å; V467-N471 PolarHBondContact O-N 3.19Å; V467-N471 PolarHBondContact O-ND2 3.45Å
468F79Confident76Confident38 Ų3848.6 Ų48.617%0.16726%0.26CS..Hα-helixtrans-73.4-50-176-160.2-79.7000112.6Y464 E465 D470 N471 L472 R508 R509 P510Y464-F468 HydrophobicContact CE1-CB 4.27Å; Y464-F468 HydrophobicContact CE1-CD2 4.47Å; Y464-F468 HydrophobicContact CE1-CG 4.46Å; Y464-F468 HydrophobicContact CE2-CD2 4.32Å; Y464-F468 AromaticContact CZ-CD2 3.85Å; Y464-F468 VanDerWaalsContact O-CB 3.27Å; Y464-F468 WeakPolarHBondContact O-CB 3.46Å; Y464-F468 PolarHBondContact O-N 2.76Å; Y464-F468 WeakPolarHBondContact OH-CD2 3.48Å; E465-F468 PolarHBondContact O-N 3.5Å; F468-D470 PolarHBondContact O-N 2.78Å; F468-N471 PolarHBondContact O-N 2.86Å; F468-L472 PolarHBondContact O-N 2.93Å; F468-R508 WeakPolarHBondContact CE1-O 3.31Å; F468-R508 VanDerWaalsContact CZ-C 3.46Å; F468-R508 VanDerWaalsContact CZ-O 3.32Å; F468-R508 WeakPolarHBondContact CZ-O 3.32Å; F468-R509 VanDerWaalsContact CE1-C 3.5Å; F468-R509 WeakPolarHBondContact CZ-O 3.45Å; F468-P510 HydrophobicContact CD1-CB 3.8Å; F468-P510 VanDerWaalsContact CE1-CA 3.49Å; F468-P510 HydrophobicContact CE1-CB 3.81Å; F468-P510 HydrophobicContact CE1-CG 4.31Å; F468-P510 VanDerWaalsContact CE1-N 3.26Å
469V72.6Confident73.2Confident9 Ų948.9 Ų48.96%0.05527%0.267CS..Hα-helixtrans-62.1-43.2-178169.90000110.9M215 E465 L472 W473M215-V469 HydrophobicContact SD-CG2 4.4Å; E465-V469 HydrophobicContact CG-CG2 4.18Å; E465-V469 VanDerWaalsContact O-CB 3.28Å; E465-V469 WeakPolarHBondContact O-CB 3.38Å; E465-V469 VanDerWaalsContact O-CG2 3.28Å; E465-V469 WeakPolarHBondContact O-CG2 3.42Å; E465-V469 PolarHBondContact O-N 3.5Å; V469-L472 WeakPolarHBondContact O-CB 3.29Å; V469-L472 PolarHBondContact O-N 3.26Å; V469-W473 PolarHBondContact O-N 3.33Å
470D70.8Confident70.5Confident42 Ų4250.7 Ų50.723%0.22528%0.281CS..Hα-helixtrans-66.1-41176.1-176.629.8000112.5R466 F468 L472 W473 R474R466-D470 IonicContact CZ-OD2 3.95Å; R466-D470 VanDerWaalsContact CZ-OD2 3.28Å; R466-D470 IonicContact NH1-OD2 2.65Å; R466-D470 PolarHBondContact NH1-OD2 3.21Å; R466-D470 VanDerWaalsContact NH2-CG 3.34Å; R466-D470 IonicContact NH2-OD1 2.7Å; R466-D470 IonicContact NH2-OD2 3.33Å; R466-D470 PolarHBondContact NH2-OD2 3.28Å; R466-D470 VanDerWaalsContact O-CB 3.29Å; R466-D470 WeakPolarHBondContact O-CB 3.36Å; R466-D470 PolarHBondContact O-N 3.23Å; F468-D470 PolarHBondContact O-N 2.78Å; D470-L472 VanDerWaalsContact C-N 3.28Å; D470-L472 PolarHBondContact O-N 2.91Å; D470-W473 PolarHBondContact O-N 2.99Å; D470-R474 VanDerWaalsContact O-CB 3.27Å; D470-R474 WeakPolarHBondContact O-CB 3.4Å; D470-R474 WeakPolarHBondContact O-CG 3.46Å; D470-R474 PolarHBondContact O-N 2.74Å; D470-R474 WeakPolarHBondContact OD1-CD 3.4Å; D470-R474 WeakPolarHBondContact OD1-CG 3.3Å
471N69.4Low67.8Low80 Ų8050.5 Ų50.543%0.42829%0.286SS..Hα-helixtrans-60.9-39.1171.4-81-43.1000111.6V467 F468 N475V467-N471 WeakPolarHBondContact O-CB 3.09Å; V467-N471 VanDerWaalsContact O-CG 3.28Å; V467-N471 PolarHBondContact O-N 3.19Å; V467-N471 PolarHBondContact O-ND2 3.45Å; F468-N471 PolarHBondContact O-N 2.86Å; N471-N475 VanDerWaalsContact O-CB 3.26Å; N471-N475 WeakPolarHBondContact O-CB 3.44Å; N471-N475 PolarHBondContact O-N 3.5Å; N471-N475 PolarHBondContact O-ND2 2.98Å
472L69Low65.4Low14 Ų1459.1 Ų59.17%0.07333%0.326CS..Hα-helixtrans-64.9-53.1176.8-171.865.5000111.1W214 M215 F468 V469 D470 R474 N475 S476 I504W214-L472 HydrophobicContact CH2-CD2 4.21Å; W214-L472 HydrophobicContact CZ2-CD2 3.73Å; W214-L472 HydrophobicContact CZ2-CG 4.06Å; M215-L472 HydrophobicContact CG-CD2 3.8Å; M215-L472 HydrophobicContact SD-CD2 4.18Å; F468-L472 PolarHBondContact O-N 2.93Å; V469-L472 WeakPolarHBondContact O-CB 3.29Å; V469-L472 PolarHBondContact O-N 3.26Å; D470-L472 VanDerWaalsContact C-N 3.28Å; D470-L472 PolarHBondContact O-N 2.91Å; L472-R474 PolarHBondContact O-N 3.4Å; L472-N475 PolarHBondContact O-N 3.08Å; L472-S476 PolarHBondContact O-N 3.24Å; L472-S476 PolarHBondContact O-OG 3.28Å; L472-I504 HydrophobicContact CD1-CD1 4.35Å
473W64.4Low62.9Low53 Ų5367.9 Ų67.920%0.20137%0.366CS..Hα-helixtrans-56.9-46.8177-80.4112.2000112.7F194 W214 V469 D470 N475 S476 A477 L497F194-W473 HydrophobicContact CD1-CH2 4.21Å; F194-W473 AromaticContact CE1-CH2 3.73Å; F194-W473 HydrophobicContact CE1-CH2 3.73Å; F194-W473 HydrophobicContact CE1-CZ3 4.2Å; W214-W473 AromaticContact CH2-CD2 3.84Å; W214-W473 HydrophobicContact CH2-CD2 3.84Å; W214-W473 AromaticContact CH2-CE2 3.41Å; W214-W473 VanDerWaalsContact CH2-CE2 3.41Å; W214-W473 HydrophobicContact CH2-CE3 4.3Å; W214-W473 HydrophobicContact CH2-CG 4.39Å; W214-W473 HydrophobicContact CH2-CH2 4.06Å; W214-W473 AromaticContact CH2-CZ2 3.54Å; W214-W473 HydrophobicContact CH2-CZ2 3.54Å; W214-W473 HydrophobicContact CH2-CZ3 4.4Å; W214-W473 AromaticContact CH2-NE1 3.71Å; W214-W473 AromaticContact CZ3-CE2 3.87Å; W214-W473 HydrophobicContact CZ3-CH2 4.18Å; W214-W473 AromaticContact CZ3-CZ2 3.58Å; W214-W473 HydrophobicContact CZ3-CZ2 3.58Å; V469-W473 PolarHBondContact O-N 3.33Å; D470-W473 PolarHBondContact O-N 2.99Å; W473-N475 VanDerWaalsContact C-N 3.34Å; W473-N475 PolarHBondContact O-N 2.99Å; W473-S476 PolarHBondContact O-N 2.99Å; W473-A477 WeakPolarHBondContact O-CB 3.49Å; W473-A477 PolarHBondContact O-N 2.8Å; W473-L497 HydrophobicContact CZ3-CD2 4.25Å
474R59.7Low60.4Low161 Ų16175 Ų7561%0.60839%0.393SS*.Hα-helixtrans-64.8-36.4178.8-69175.375.5176.56.6112.2D470 L472 S478D470-R474 VanDerWaalsContact O-CB 3.27Å; D470-R474 WeakPolarHBondContact O-CB 3.4Å; D470-R474 WeakPolarHBondContact O-CG 3.46Å; D470-R474 PolarHBondContact O-N 2.74Å; D470-R474 WeakPolarHBondContact OD1-CD 3.4Å; D470-R474 WeakPolarHBondContact OD1-CG 3.3Å; L472-R474 PolarHBondContact O-N 3.4Å; R474-S478 VanDerWaalsContact O-CB 3.28Å; R474-S478 WeakPolarHBondContact O-CB 3.5Å; R474-S478 PolarHBondContact O-N 2.62Å; R474-S478 PolarHBondContact O-OG 2.94Å
475N59.2Low57.8Low62 Ų6284 Ų8433%0.33243%0.427SS..Hα-helixtrans-71.1-29.6174.5-82.8-68.4000113.1N471 L472 W473 R508N471-N475 VanDerWaalsContact O-CB 3.26Å; N471-N475 WeakPolarHBondContact O-CB 3.44Å; N471-N475 PolarHBondContact O-N 3.5Å; N471-N475 PolarHBondContact O-ND2 2.98Å; L472-N475 PolarHBondContact O-N 3.08Å; W473-N475 VanDerWaalsContact C-N 3.34Å; W473-N475 PolarHBondContact O-N 2.99Å; N475-R508 VanDerWaalsContact CG-NH1 3.31Å; N475-R508 PolarHBondContact OD1-NH1 2.94Å
476S56.5Low55.5Low13 Ų1385.7 Ų85.79%0.09145%0.453CS..Hα-helixtrans-74.2-46.2172.9-620000111.4L472 W473 G479L472-S476 PolarHBondContact O-N 3.24Å; L472-S476 PolarHBondContact O-OG 3.28Å; W473-S476 PolarHBondContact O-N 2.99Å; S476-G479 PolarHBondContact O-N 2.79Å
477A48.9Very low53.2Low67 Ų6793.2 Ų93.255%0.55449%0.494SS*.Hα-helixtrans-68.1-38.3-179.400000113.5W473 G479 C480W473-A477 WeakPolarHBondContact O-CB 3.49Å; W473-A477 PolarHBondContact O-N 2.8Å; A477-G479 PolarHBondContact O-N 2.92Å; A477-G479 VanDerWaalsContact O-N 3.14Å; A477-C480 PolarHBondContact O-N 3.27Å
478S42.6Very low51Low88 Ų8892.9 Ų92.962%0.61551%0.506SS*.THydrogen-bonded Turntrans-72.30.2177.655.30000114.6R474 C480R474-S478 VanDerWaalsContact O-CB 3.28Å; R474-S478 WeakPolarHBondContact O-CB 3.5Å; R474-S478 PolarHBondContact O-N 2.62Å; R474-S478 PolarHBondContact O-OG 2.94Å; S478-C480 VanDerWaalsContact C-N 3.26Å; S478-C480 PolarHBondContact O-N 2.91Å
479G36.7Very low49.1Very low26 Ų2694.4 Ų94.427%0.26853%0.533SS..THydrogen-bonded Turntrans-72.7-14.1170.300000114.5S476 A477 P481S476-G479 PolarHBondContact O-N 2.79Å; A477-G479 PolarHBondContact O-N 2.92Å; A477-G479 VanDerWaalsContact O-N 3.14Å; G479-P481 WeakPolarHBondContact O-CD 3.48Å
480C38.4Very low47.3Very low61 Ų61101.1 Ų101.141%0.41257%0.569SS.*SBendtrans-99.298.3177.2-680000110.5A477 S478 H482A477-C480 PolarHBondContact O-N 3.27Å; S478-C480 VanDerWaalsContact C-N 3.26Å; S478-C480 PolarHBondContact O-N 2.91Å; C480-H482 PolarHBondContact O-N 3.29Å
481P37.7Very low45.5Very low97 Ų97108.7 Ų108.763%0.6360%0.599SS**  trans-63.3128.3165.927.4-32.5000108.9G479 H483G479-P481 WeakPolarHBondContact O-CD 3.48Å; P481-H483 PolarHBondContact O-N 3.37Å
482H42.4Very low44.1Very low186 Ų186113.6 Ų113.686%0.86161%0.613SS**  trans-49133.8168.8-80.8-87.4000109.7C480 Q484C480-H482 PolarHBondContact O-N 3.29Å; H482-Q484 PolarHBondContact O-N 2.8Å
483H39.1Very low42.5Very low196 Ų196117 Ų11791%0.90764%0.637SS**  trans-39.495.1-179.7-94.7-90.3000112.7P481 R485P481-H483 PolarHBondContact O-N 3.37Å; H483-R485 PolarHBondContact O-N 2.77Å
484Q37.3Very low41Very low185 Ų185121.5 Ų121.586%0.86466%0.66SS**  trans-79.2120.3156.2-80.3-162.8-1300107.1H482 G486H482-Q484 PolarHBondContact O-N 2.8Å; Q484-G486 PolarHBondContact O-N 3.01Å
485R34.5Very low39.9Very low257 Ų257114.6 Ų114.697%0.9764%0.639SS**  trans-68.670.1-174.2-161.3177.1-167168.73.8110.5H483H483-R485 PolarHBondContact O-N 2.77Å
486G38.8Very low39.2Very low68 Ų68119.1 Ų119.170%0.70165%0.651SS**  trans-95.4126.4-178.600000111.6Q484 G488Q484-G486 PolarHBondContact O-N 3.01Å; G486-G488 PolarHBondContact O-N 3.27Å
487N37.7Very low38.9Very low176 Ų176119.8 Ų119.894%0.94165%0.654SS**SBendtrans-75.5119.8-173.6-149.98.2000111.1
488G36.7Very low38.7Very low71 Ų71119 Ų11973%0.73264%0.64SS**SBendtrans101.3110.1166.600000116.7G486G486-G488 PolarHBondContact O-N 3.27Å
489G38.2Very low39Very low70 Ų70116.8 Ų116.872%0.72262%0.623SS**  trans102.9101.2165.400000113.9K491G489-K491 VanDerWaalsContact C-N 3.25Å; G489-K491 PolarHBondContact O-N 2.81Å
490D34.6Very low39.7Very low151 Ų151117 Ų11781%0.80762%0.623SS**  trans-67.775.9178.8-61.7-51.3000112.6Y492D490-Y492 VanDerWaalsContact C-N 3.26Å; D490-Y492 HydrophobicContact CB-CD2 4.29Å; D490-Y492 HydrophobicContact CB-CE2 4.19Å; D490-Y492 PolarHBondContact O-N 2.04Å; D490-Y492 VanDerWaalsContact O-N 3.12Å
491K34.9Very low40.4Very low200 Ų200114.4 Ų114.487%0.8761%0.605SS**  trans-77.786.2155.8-73.9-174.6178.7178.20107.9G489 C493G489-K491 VanDerWaalsContact C-N 3.25Å; G489-K491 PolarHBondContact O-N 2.81Å; K491-C493 PolarHBondContact O-N 2.87Å
492Y39.2Very low41.2Very low184 Ų184115.3 Ų115.372%0.72261%0.605SS**  trans-43.7135.1161.6-80.6-99.4000109.1D490 E494D490-Y492 VanDerWaalsContact C-N 3.26Å; D490-Y492 HydrophobicContact CB-CD2 4.29Å; D490-Y492 HydrophobicContact CB-CE2 4.19Å; D490-Y492 PolarHBondContact O-N 2.04Å; D490-Y492 VanDerWaalsContact O-N 3.12Å; Y492-E494 PolarHBondContact O-N 3.03Å
493C34.3Very low41.8Very low84 Ų84112.3 Ų112.357%0.56860%0.595SS**  trans-69.185166.9-77.40000108.4K491 G495K491-C493 PolarHBondContact O-N 2.87Å; C493-G495 PolarHBondContact O-N 3.06Å
494E34.5Very low42.8Very low149 Ų149103.4 Ų103.470%0.69655%0.554SS**  trans-71.467159.9-165.1166.3-172.900108.2Y492 R496 N498Y492-E494 PolarHBondContact O-N 3.03Å; E494-R496 VanDerWaalsContact C-N 3.3Å; E494-R496 PolarHBondContact O-N 3.32Å; E494-N498 WeakPolarHBondContact CG-ND2 3.26Å; E494-N498 PolarHBondContact OE1-ND2 3.05Å
495G35.9Very low43.9Very low15 Ų1598.4 Ų98.416%0.15554%0.538CS..  trans-78.268.9-161.200000113.2C493 L497C493-G495 PolarHBondContact O-N 3.06Å; G495-L497 PolarHBondContact O-N 3.31Å
496R44.4Very low45Very low157 Ų15791.4 Ų91.459%0.59252%0.523SS*.SBendtrans51.4-3.5163.1-73.1-171.9-178.3169.53.3120E494 N498 V499E494-R496 VanDerWaalsContact C-N 3.3Å; E494-R496 PolarHBondContact O-N 3.32Å; R496-N498 PolarHBondContact O-N 2.84Å; R496-V499 HydrophobicContact CB-CG2 4.17Å; R496-V499 HydrophobicContact CG-CG2 4.29Å; R496-V499 WeakPolarHBondContact O-CB 3.32Å; R496-V499 WeakPolarHBondContact O-CG2 3.06Å; R496-V499 PolarHBondContact O-N 3.16Å
497L49.4Very low46Very low27 Ų2797 Ų9714%0.14153%0.531CS..THydrogen-bonded Turntrans-67.5-20.8167.6-78.7136.4000111.8F194 W473 G495 V499F194-L497 HydrophobicContact CD1-CD2 4.28Å; F194-L497 HydrophobicContact CD2-CB 4.19Å; F194-L497 HydrophobicContact CD2-CD2 3.88Å; F194-L497 HydrophobicContact CE1-CD2 4.03Å; F194-L497 HydrophobicContact CE2-CB 4.09Å; F194-L497 HydrophobicContact CE2-CD2 3.63Å; F194-L497 HydrophobicContact CE2-CG 4.5Å; F194-L497 WeakPolarHBondContact CE2-O 3.41Å; F194-L497 HydrophobicContact CG-CD2 4.23Å; F194-L497 HydrophobicContact CZ-CD2 3.71Å; W473-L497 HydrophobicContact CZ3-CD2 4.25Å; G495-L497 PolarHBondContact O-N 3.31Å; L497-V499 PolarHBondContact O-N 3.3Å
498N45.1Very low47.3Very low51 Ų5194.4 Ų94.427%0.27351%0.508SS..THydrogen-bonded Turntrans-755171.2-68.5-10.1000114.1G191 T192 E494 R496 A500G191-N498 WeakPolarHBondContact CA-OD1 3.34Å; T192-N498 PolarHBondContact N-OD1 2.95Å; E494-N498 WeakPolarHBondContact CG-ND2 3.26Å; E494-N498 PolarHBondContact OE1-ND2 3.05Å; R496-N498 PolarHBondContact O-N 2.84Å; N498-A500 PolarHBondContact O-N 3.04Å
499V49.9Very low48.8Very low41 Ų4194.5 Ų94.525%0.24849%0.486CS..  trans-8187.5176.2-179.30000108.8R496 L497 N503 I504R496-V499 HydrophobicContact CB-CG2 4.17Å; R496-V499 HydrophobicContact CG-CG2 4.29Å; R496-V499 WeakPolarHBondContact O-CB 3.32Å; R496-V499 WeakPolarHBondContact O-CG2 3.06Å; R496-V499 PolarHBondContact O-N 3.16Å; L497-V499 PolarHBondContact O-N 3.3Å; V499-N503 VanDerWaalsContact CG1-C 3.41Å; V499-N503 HydrophobicContact CG1-CB 3.6Å; V499-I504 HydrophobicContact CG1-CG1 3.73Å
500A51.2Low50.8Low32 Ų3291.5 Ų91.526%0.26445%0.454SS..  trans-49.4154.8167.400000111.1N498 D502 N503N498-A500 PolarHBondContact O-N 3.04Å; A500-D502 PolarHBondContact O-N 3.39Å; A500-N503 PolarHBondContact O-N 2.81Å
501A53.4Low53.3Low6 Ų687.4 Ų87.45%0.0543%0.434CS..G310 helixtrans-44.6-39.1-174.300000113.6W214 N503 I504 R509W214-A501 VanDerWaalsContact O-CA 3.28Å; W214-A501 WeakPolarHBondContact O-CA 3.06Å; W214-A501 VanDerWaalsContact O-CB 3.28Å; W214-A501 WeakPolarHBondContact O-CB 3.46Å; W214-A501 PolarHBondContact O-N 3.18Å; A501-N503 VanDerWaalsContact C-N 3.31Å; A501-N503 PolarHBondContact O-N 3.35Å; A501-I504 PolarHBondContact O-N 2.05Å; A501-R509 PolarHBondContact O-NE 3.3Å; A501-R509 VanDerWaalsContact O-NE 3.1Å; A501-R509 PolarHBondContact O-NH1 3.39Å; A501-R509 PolarHBondContact O-NH2 3.03Å
502D54.4Low56Low115 Ų11578.2 Ų78.262%0.61540%0.395SS*.G310 helixtrans-71.5-16.2-177.6-65.6-41000116A500 R509A500-D502 PolarHBondContact O-N 3.39Å; D502-R509 PolarHBondContact O-NH2 3.38Å; D502-R509 IonicContact OD1-NH1 3.72Å; D502-R509 PolarHBondContact OD1-NH1 3.38Å
503N55Low58.6Low123 Ų12375.3 Ų75.366%0.65839%0.388SS*.G310 helixtrans-99.6-6.6175.7-69.1-37.8000113.1V499 A500 A501V499-N503 VanDerWaalsContact CG1-C 3.41Å; V499-N503 HydrophobicContact CG1-CB 3.6Å; A500-N503 PolarHBondContact O-N 2.81Å; A501-N503 VanDerWaalsContact C-N 3.31Å; A501-N503 PolarHBondContact O-N 3.35Å
504I59.9Low61.4Low10 Ų1072.7 Ų72.75%0.05137%0.369CS..SBendtrans-70.6128171-56.1175.7000108L472 V499 A501 V506 R508 R509L472-I504 HydrophobicContact CD1-CD1 4.35Å; V499-I504 HydrophobicContact CG1-CG1 3.73Å; A501-I504 PolarHBondContact O-N 2.05Å; I504-V506 PolarHBondContact O-N 3.17Å; I504-R508 HydrophobicContact CG2-CB 3.86Å; I504-R508 WeakPolarHBondContact CG2-O 3.38Å; I504-R509 HydrophobicContact CB-CG 3.93Å; I504-R509 HydrophobicContact CG2-CG 3.83Å; I504-R509 PolarHBondContact O-NE 3.2Å; I504-R509 PolarHBondContact O-NH2 3.32Å
505P59.3Low64.2Low79 Ų7966.2 Ų66.251%0.51334%0.338SS..  trans-52.9135.9174.6-26.234.3000110.6H507 R508 R509P505-H507 PolarHBondContact O-N 3.04Å; P505-H507 VanDerWaalsContact O-N 3.1Å; P505-R508 CarbonylContact O-C 3.46Å; P505-R508 WeakPolarHBondContact O-CA 3.38Å; P505-R508 WeakPolarHBondContact O-CB 3.4Å; P505-R508 PolarHBondContact O-N 2.87Å; P505-R509 PolarHBondContact O-N 3.47Å
506V58.9Low67.1Low110 Ų11066.5 Ų66.567%0.66734%0.336SS*.G310 helixtrans-53.6-40.5-170.2-1790000112.5I504 R508 R509I504-V506 PolarHBondContact O-N 3.17Å; V506-R508 PolarHBondContact O-N 3.35Å; V506-R508 VanDerWaalsContact O-N 3.09Å; V506-R509 PolarHBondContact O-N 3.2Å; V506-R509 VanDerWaalsContact O-N 3.14Å
507H59.9Low69.6Low185 Ų18562.5 Ų62.586%0.85633%0.326SS*.G310 helixtrans-66.2-6.7176.2-50.5-56.8000115.2P505P505-H507 PolarHBondContact O-N 3.04Å; P505-H507 VanDerWaalsContact O-N 3.1Å
508R64.7Low71.8Confident122 Ų12262 Ų6246%0.4632%0.323SS..G310 helixtrans-116.211.6176.7-62.2-171.9-178.3-149.9-1.1113F468 N475 I504 P505 V506F468-R508 WeakPolarHBondContact CE1-O 3.31Å; F468-R508 VanDerWaalsContact CZ-C 3.46Å; F468-R508 VanDerWaalsContact CZ-O 3.32Å; F468-R508 WeakPolarHBondContact CZ-O 3.32Å; N475-R508 VanDerWaalsContact CG-NH1 3.31Å; N475-R508 PolarHBondContact OD1-NH1 2.94Å; I504-R508 HydrophobicContact CG2-CB 3.86Å; I504-R508 WeakPolarHBondContact CG2-O 3.38Å; P505-R508 CarbonylContact O-C 3.46Å; P505-R508 WeakPolarHBondContact O-CA 3.38Å; P505-R508 WeakPolarHBondContact O-CB 3.4Å; P505-R508 PolarHBondContact O-N 2.87Å; V506-R508 PolarHBondContact O-N 3.35Å; V506-R508 VanDerWaalsContact O-N 3.09Å
509R68.5Low74.3Confident74 Ų7459.9 Ų59.928%0.27931%0.312SS..SBendtrans-91.3143.8170.9-63.7-172.4-161.6-1653.5112F468 A501 D502 I504 P505 V506 V511F468-R509 VanDerWaalsContact CE1-C 3.5Å; F468-R509 WeakPolarHBondContact CZ-O 3.45Å; A501-R509 PolarHBondContact O-NE 3.3Å; A501-R509 VanDerWaalsContact O-NE 3.1Å; A501-R509 PolarHBondContact O-NH1 3.39Å; A501-R509 PolarHBondContact O-NH2 3.03Å; D502-R509 PolarHBondContact O-NH2 3.38Å; D502-R509 IonicContact OD1-NH1 3.72Å; D502-R509 PolarHBondContact OD1-NH1 3.38Å; I504-R509 HydrophobicContact CB-CG 3.93Å; I504-R509 HydrophobicContact CG2-CG 3.83Å; I504-R509 PolarHBondContact O-NE 3.2Å; I504-R509 PolarHBondContact O-NH2 3.32Å; P505-R509 PolarHBondContact O-N 3.47Å; V506-R509 PolarHBondContact O-N 3.2Å; V506-R509 VanDerWaalsContact O-N 3.14Å; R509-V511 PolarHBondContact O-N 3.09Å
510P79.3Confident76.5Confident7 Ų758.2 Ų58.25%0.04530%0.302CS..  trans-67.9128.8176.225.4-30000110.8M215 F216 F468 V512 Y515M215-P510 HydrophobicContact CB-CG 4.04Å; F216-P510 HydrophobicContact CD1-CG 4.37Å; F216-P510 HydrophobicContact CE1-CB 4.03Å; F216-P510 HydrophobicContact CE1-CG 3.63Å; F216-P510 HydrophobicContact CE2-CG 4.45Å; F216-P510 HydrophobicContact CZ-CB 4Å; F216-P510 HydrophobicContact CZ-CG 3.68Å; F468-P510 HydrophobicContact CD1-CB 3.8Å; F468-P510 VanDerWaalsContact CE1-CA 3.49Å; F468-P510 HydrophobicContact CE1-CB 3.81Å; F468-P510 HydrophobicContact CE1-CG 4.31Å; F468-P510 VanDerWaalsContact CE1-N 3.26Å; P510-V512 PolarHBondContact O-N 3.24Å; P510-V512 VanDerWaalsContact O-N 3.15Å; P510-Y515 HydrophobicContact CB-CE2 4.11Å
511V87.9Confident78.7Confident64 Ų6459.1 Ų59.139%0.38830%0.302SS..  trans-70.4104.8178.2179.90000109.7Y464 R509 E513 V514Y464-V511 WeakPolarHBondContact OH-CG2 3.16Å; Y464-V511 PolarHBondContact OH-N 3.07Å; R509-V511 PolarHBondContact O-N 3.09Å; V511-E513 HydrophobicContact CG1-CB 4.02Å; V511-E513 WeakPolarHBondContact CG1-OE2 3.28Å; V511-E513 PolarHBondContact O-N 3.13Å; V511-V514 HydrophobicContact CB-CG2 4.01Å; V511-V514 HydrophobicContact CG1-CG2 3.9Å; V511-V514 WeakPolarHBondContact O-CB 3.3Å; V511-V514 PolarHBondContact O-N 3.47Å
512V91.1Very high80.8Confident7 Ų759.5 Ų59.54%0.04230%0.304CS..Hα-helixtrans-60.5-31.4-175.2-169.10000111.8F216 Q220 V224 L378 P510 V514 Y515 M516F216-V512 HydrophobicContact CD1-CG2 3.76Å; F216-V512 HydrophobicContact CE1-CG2 3.92Å; Q220-V512 HydrophobicContact CB-CG1 4.44Å; Q220-V512 HydrophobicContact CB-CG2 4.4Å; Q220-V512 HydrophobicContact CG-CG2 4Å; V224-V512 HydrophobicContact CG2-CG1 3.82Å; L378-V512 HydrophobicContact CD1-CG1 4.42Å; L378-V512 HydrophobicContact CD2-CG1 4.07Å; P510-V512 PolarHBondContact O-N 3.24Å; P510-V512 VanDerWaalsContact O-N 3.15Å; V512-V514 PolarHBondContact O-N 2.66Å; V512-Y515 WeakPolarHBondContact O-CB 3.43Å; V512-Y515 PolarHBondContact O-N 2.99Å; V512-M516 PolarHBondContact O-N 3.05Å
513E93.3Very high82.8Confident123 Ų12354 Ų5458%0.57528%0.275SS*.Hα-helixtrans-59.5-30.5177.7-61.476.8-175.400111.7V511 M516 L517V511-E513 HydrophobicContact CG1-CB 4.02Å; V511-E513 WeakPolarHBondContact CG1-OE2 3.28Å; V511-E513 PolarHBondContact O-N 3.13Å; E513-M516 PolarHBondContact O-N 3.03Å; E513-L517 VanDerWaalsContact O-CB 3.29Å; E513-L517 WeakPolarHBondContact O-CB 3.44Å; E513-L517 PolarHBondContact O-N 3.14Å
514V93.7Very high84.8Confident30 Ų3049.3 Ų49.318%0.18225%0.25CS..Hα-helixtrans-70.8-38.8174.8-176.70000111.2C461 Y464 V511 V512 L517 N518C461-V514 HydrophobicContact CB-CG1 3.98Å; Y464-V514 HydrophobicContact CD1-CB 4.03Å; Y464-V514 HydrophobicContact CD1-CG1 3.59Å; Y464-V514 HydrophobicContact CD1-CG2 4.19Å; Y464-V514 HydrophobicContact CE1-CB 4.07Å; Y464-V514 HydrophobicContact CE1-CG1 4.16Å; Y464-V514 HydrophobicContact CE1-CG2 4.02Å; Y464-V514 HydrophobicContact CG-CG1 4.06Å; V511-V514 HydrophobicContact CB-CG2 4.01Å; V511-V514 HydrophobicContact CG1-CG2 3.9Å; V511-V514 WeakPolarHBondContact O-CB 3.3Å; V511-V514 PolarHBondContact O-N 3.47Å; V512-V514 PolarHBondContact O-N 2.66Å; V514-L517 PolarHBondContact O-N 2.72Å; V514-N518 WeakPolarHBondContact O-CB 3.1Å; V514-N518 PolarHBondContact O-N 3.43Å
515Y93.7Very high86.6Confident12 Ų1249 Ų495%0.04725%0.249CC..Hα-helixtrans-66.6-42173.7-68-99.9000111.1F216 L378 E465 P510 V512 L517 N518 I519F216-Y515 HydrophobicContact CE1-CD2 4.39Å; F216-Y515 HydrophobicContact CE1-CE2 4.27Å; F216-Y515 HydrophobicContact CZ-CD2 4.19Å; F216-Y515 HydrophobicContact CZ-CE1 4.35Å; F216-Y515 AromaticContact CZ-CE2 3.79Å; F216-Y515 HydrophobicContact CZ-CE2 3.79Å; F216-Y515 AromaticContact CZ-CZ 3.88Å; L378-Y515 HydrophobicContact CD2-CD1 4.01Å; L378-Y515 HydrophobicContact CD2-CD2 4.33Å; L378-Y515 HydrophobicContact CD2-CG 3.73Å; E465-Y515 VanDerWaalsContact CD-CE1 3.5Å; E465-Y515 HydrophobicContact CG-CE1 4.07Å; E465-Y515 VanDerWaalsContact OE1-CE1 3.32Å; E465-Y515 WeakPolarHBondContact OE1-CE1 3.39Å; P510-Y515 HydrophobicContact CB-CE2 4.11Å; V512-Y515 WeakPolarHBondContact O-CB 3.43Å; V512-Y515 PolarHBondContact O-N 2.99Å; Y515-L517 PolarHBondContact O-N 3.25Å; Y515-N518 WeakPolarHBondContact O-CB 3.08Å; Y515-N518 PolarHBondContact O-N 3.12Å; Y515-I519 WeakPolarHBondContact O-CD1 3.49Å; Y515-I519 VanDerWaalsContact O-CG1 3.3Å; Y515-I519 WeakPolarHBondContact O-CG1 3.42Å; Y515-I519 PolarHBondContact O-N 3.15Å
516M96.2Very high88.4Confident21 Ų2145.2 Ų45.210%0.10323%0.225CC..Hα-helixtrans-61.2-41.9173.8-71.3-179.866.900112.7F223 V224 W227 V512 E513 I519 A520F223-M516 HydrophobicContact CD1-CE 4.05Å; F223-M516 HydrophobicContact CD1-SD 3.93Å; F223-M516 HydrophobicContact CE1-CE 3.36Å; F223-M516 HydrophobicContact CE1-SD 3.65Å; F223-M516 HydrophobicContact CZ-CE 4.05Å; V224-M516 HydrophobicContact CG2-CG 3.94Å; V224-M516 HydrophobicContact CG2-SD 4.48Å; W227-M516 HydrophobicContact CB-CE 4.35Å; W227-M516 HydrophobicContact CD2-CE 3.36Å; W227-M516 HydrophobicContact CE3-CE 3.47Å; W227-M516 VanDerWaalsContact CE3-CE 3.47Å; W227-M516 HydrophobicContact CG-CE 3.79Å; W227-M516 HydrophobicContact CG-CG 4.41Å; W227-M516 HydrophobicContact CH2-CE 4.13Å; W227-M516 HydrophobicContact CZ2-CE 4.04Å; W227-M516 HydrophobicContact CZ3-CE 3.87Å; W227-M516 PolarHBondContact NE1-O 3.43Å; V512-M516 PolarHBondContact O-N 3.05Å; E513-M516 PolarHBondContact O-N 3.03Å; M516-I519 PolarHBondContact O-N 2.65Å; M516-A520 PolarHBondContact O-N 3.34Å
517L97.1Very high90.2Very high73 Ų7341.4 Ų41.438%0.38220%0.2SC..Hα-helixtrans-62.1-43.7174.8179.664000111.2V457 E513 V514 Y515 I519 A520 M521V457-L517 HydrophobicContact CG1-CD1 4.4Å; V457-L517 HydrophobicContact CG1-CD2 3.89Å; V457-L517 HydrophobicContact CG1-CG 3.99Å; E513-L517 VanDerWaalsContact O-CB 3.29Å; E513-L517 WeakPolarHBondContact O-CB 3.44Å; E513-L517 PolarHBondContact O-N 3.14Å; V514-L517 PolarHBondContact O-N 2.72Å; Y515-L517 PolarHBondContact O-N 3.25Å; L517-I519 PolarHBondContact O-N 3.03Å; L517-A520 PolarHBondContact O-N 2.95Å; L517-M521 HydrophobicContact CD1-CE 3.79Å; L517-M521 HydrophobicContact CD1-CG 3.8Å; L517-M521 HydrophobicContact CG-CG 4.24Å; L517-M521 WeakPolarHBondContact O-CB 3.22Å; L517-M521 VanDerWaalsContact O-CG 3.28Å; L517-M521 WeakPolarHBondContact O-CG 3.47Å; L517-M521 PolarHBondContact O-N 2.04Å
518N96.1Very high91.9Very high17 Ų1733.9 Ų33.99%0.09117%0.167CC..Hα-helixtrans-57.2-47.4175.9-167.95.9000111.6C461 V514 Y515 S522C461-N518 HydrophobicContact CB-CB 3.72Å; V514-N518 WeakPolarHBondContact O-CB 3.1Å; V514-N518 PolarHBondContact O-N 3.43Å; Y515-N518 WeakPolarHBondContact O-CB 3.08Å; Y515-N518 PolarHBondContact O-N 3.12Å; N518-S522 VanDerWaalsContact O-CB 3.24Å; N518-S522 WeakPolarHBondContact O-CB 2.99Å; N518-S522 PolarHBondContact O-N 3.42Å; N518-S522 PolarHBondContact O-OG 2.77Å; N518-S522 PolarHBondContact OD1-OG 2.85Å
519I96.7Very high93.3Very high7 Ų728.1 Ų28.14%0.03615%0.145CC..Hα-helixtrans-58.5-50.2176.9-65.8159.2000110.9V224 M228 Y274 T379 Y515 M516 L517 M523V224-I519 HydrophobicContact CG1-CD1 3.74Å; M228-I519 HydrophobicContact CG-CD1 3.76Å; M228-I519 HydrophobicContact CG-CG1 4.38Å; M228-I519 HydrophobicContact CG-CG2 4.15Å; M228-I519 HydrophobicContact SD-CD1 4.37Å; Y274-I519 HydrophobicContact CD1-CG2 4.41Å; Y274-I519 HydrophobicContact CE1-CG1 4.09Å; Y274-I519 HydrophobicContact CE1-CG2 4.31Å; T379-I519 HydrophobicContact CG2-CD1 4.17Å; Y515-I519 WeakPolarHBondContact O-CD1 3.49Å; Y515-I519 VanDerWaalsContact O-CG1 3.3Å; Y515-I519 WeakPolarHBondContact O-CG1 3.42Å; Y515-I519 PolarHBondContact O-N 3.15Å; M516-I519 PolarHBondContact O-N 2.65Å; L517-I519 PolarHBondContact O-N 3.03Å; I519-M523 HydrophobicContact CG2-CE 4.22Å; I519-M523 PolarHBondContact O-N 3.4Å
520A97.2Very high94.4Very high5 Ų525.1 Ų25.14%0.04114%0.136CC..Hα-helixtrans-63.9-47-178.100000112.2W227 W231 M516 L517 S522 M523 T524W227-A520 HydrophobicContact CZ2-CB 4.11Å; W231-A520 HydrophobicContact CD2-CB 3.95Å; W231-A520 HydrophobicContact CE3-CB 4.25Å; W231-A520 HydrophobicContact CH2-CB 3.98Å; W231-A520 HydrophobicContact CZ2-CB 3.63Å; W231-A520 HydrophobicContact CZ3-CB 4.26Å; M516-A520 PolarHBondContact O-N 3.34Å; L517-A520 PolarHBondContact O-N 2.95Å; A520-S522 PolarHBondContact O-N 2.69Å; A520-M523 PolarHBondContact O-N 3.46Å; A520-T524 PolarHBondContact O-N 3.37Å; A520-T524 PolarHBondContact O-OG1 2.74Å
521M97.2Very high95.1Very high51 Ų5128.2 Ų28.225%0.25115%0.151SC..Hα-helixtrans-68.2-36-178.5-66.3-64.5140.500112.2T454 V457 V458 L517 M523 T524T454-M521 HydrophobicContact CG2-SD 4.06Å; V457-M521 HydrophobicContact CB-CG 4.23Å; V457-M521 HydrophobicContact CG1-CB 4.39Å; V457-M521 HydrophobicContact CG1-CG 3.79Å; V458-M521 HydrophobicContact CG2-CB 3.88Å; L517-M521 HydrophobicContact CD1-CE 3.79Å; L517-M521 HydrophobicContact CD1-CG 3.8Å; L517-M521 HydrophobicContact CG-CG 4.24Å; L517-M521 WeakPolarHBondContact O-CB 3.22Å; L517-M521 VanDerWaalsContact O-CG 3.28Å; L517-M521 WeakPolarHBondContact O-CG 3.47Å; L517-M521 PolarHBondContact O-N 2.04Å; M521-M523 PolarHBondContact O-N 2.84Å; M521-T524 PolarHBondContact O-N 2.85Å
522S96.3Very high95.3Very high14 Ų1426 Ų2610%0.09814%0.136CC..Hα-helixtrans-61.7-25.1174.3-64.50000113.8Y270 V458 N518 A520Y270-S522 WeakPolarHBondContact OH-CB 3.43Å; V458-S522 WeakPolarHBondContact CG2-OG 3.1Å; N518-S522 VanDerWaalsContact O-CB 3.24Å; N518-S522 WeakPolarHBondContact O-CB 2.99Å; N518-S522 PolarHBondContact O-N 3.42Å; N518-S522 PolarHBondContact O-OG 2.77Å; N518-S522 PolarHBondContact OD1-OG 2.85Å; A520-S522 PolarHBondContact O-N 2.69Å
523M97.2Very high95.3Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-102.4-18.6179.5-63.1-173.5-169.200113.9W231 A232 C235 Y274 I519 A520 M521 V525 G526 I527W231-M523 HydrophobicContact CB-SD 3.58Å; W231-M523 VanDerWaalsContact CB-SD 3.58Å; W231-M523 HydrophobicContact CE3-CB 4.5Å; A232-M523 VanDerWaalsContact CA-SD 3.53Å; A232-M523 HydrophobicContact CB-CE 4.03Å; A232-M523 HydrophobicContact CB-SD 4.16Å; A232-M523 PolarHBondContact N-SD 3.4Å; C235-M523 HydrophobicContact CB-CB 4.11Å; C235-M523 HydrophobicContact CB-CG 4.46Å; C235-M523 HydrophobicContact CB-SD 4.34Å; Y274-M523 HydrophobicContact CD1-CE 3.54Å; Y274-M523 HydrophobicContact CD2-CE 3.33Å; Y274-M523 HydrophobicContact CE1-CE 4.02Å; Y274-M523 HydrophobicContact CE2-CE 3.83Å; Y274-M523 HydrophobicContact CG-CE 3.17Å; I519-M523 HydrophobicContact CG2-CE 4.22Å; I519-M523 PolarHBondContact O-N 3.4Å; A520-M523 PolarHBondContact O-N 3.46Å; M521-M523 PolarHBondContact O-N 2.84Å; M523-V525 VanDerWaalsContact C-N 3.29Å; M523-V525 PolarHBondContact O-N 3.48Å; M523-G526 PolarHBondContact O-N 2.97Å; M523-I527 HydrophobicContact CB-CD1 4.48Å; M523-I527 PolarHBondContact O-N 2.91Å; M523-I527 VanDerWaalsContact O-N 3.1Å
524T97.2Very high95Very high24 Ų2428.3 Ų28.315%0.14714%0.139CC..Hα-helixtrans-55.9-39.6-174.9-70.10000112.7L450 T454 A520 M521 G526 I527 V528L450-T524 HydrophobicContact CD2-CG2 4.28Å; T454-T524 HydrophobicContact CG2-CG2 3.81Å; A520-T524 PolarHBondContact O-N 3.37Å; A520-T524 PolarHBondContact O-OG1 2.74Å; M521-T524 PolarHBondContact O-N 2.85Å; T524-G526 PolarHBondContact O-N 3.38Å; T524-I527 PolarHBondContact O-N 3.08Å; T524-V528 HydrophobicContact CG2-CG2 4.27Å; T524-V528 WeakPolarHBondContact O-CB 3.41Å; T524-V528 VanDerWaalsContact O-CG2 3.28Å; T524-V528 WeakPolarHBondContact O-CG2 3.49Å; T524-V528 PolarHBondContact O-N 2.99Å
525V96.7Very high94.7Very high4 Ų429 Ų292%0.02415%0.146CC..Hα-helixtrans-61.6-44.2176.11720000112.3I263 H267 F447 Y451 T454 M523 I527 V528 S529I263-V525 HydrophobicContact CG2-CG1 3.65Å; H267-V525 WeakPolarHBondContact CE1-CG1 3.44Å; F447-V525 HydrophobicContact CZ-CG1 4.25Å; Y451-V525 HydrophobicContact CD2-CB 4.25Å; Y451-V525 HydrophobicContact CD2-CG1 3.35Å; Y451-V525 HydrophobicContact CD2-CG2 3.85Å; Y451-V525 HydrophobicContact CE2-CB 4.49Å; Y451-V525 HydrophobicContact CE2-CG1 3.6Å; Y451-V525 HydrophobicContact CE2-CG2 4.31Å; Y451-V525 HydrophobicContact CG-CG1 4.38Å; Y451-V525 HydrophobicContact CG-CG2 4.14Å; T454-V525 WeakPolarHBondContact OG1-CG2 3.49Å; M523-V525 VanDerWaalsContact C-N 3.29Å; M523-V525 PolarHBondContact O-N 3.48Å; V525-I527 VanDerWaalsContact C-N 3.32Å; V525-I527 PolarHBondContact O-N 2.98Å; V525-V528 PolarHBondContact O-N 3.31Å; V525-S529 PolarHBondContact O-N 3.33Å
526G96.9Very high94.5Very high0 Ų037.2 Ų37.20%018%0.181CC..Hα-helixtrans-59.8-44.5176.700000111.4T239 H267 M523 T524 S529T239-G526 VanDerWaalsContact CG2-O 3.31Å; T239-G526 WeakPolarHBondContact CG2-O 3.5Å; H267-G526 VanDerWaalsContact CB-CA 3.48Å; M523-G526 PolarHBondContact O-N 2.97Å; T524-G526 PolarHBondContact O-N 3.38Å; G526-S529 VanDerWaalsContact O-CB 3.3Å; G526-S529 WeakPolarHBondContact O-CB 3.33Å; G526-S529 PolarHBondContact O-N 2.85Å; G526-S529 PolarHBondContact O-OG 3.36Å
527I97.1Very high94Very high30 Ų3043.5 Ų43.515%0.15421%0.208CC..Hα-helixtrans-62.3-50.1177-63.2165.1000110.7W231 L234 C235 A238 M523 T524 V525 S529 C530W231-I527 HydrophobicContact CE3-CD1 3.52Å; W231-I527 HydrophobicContact CZ3-CD1 3.64Å; L234-I527 HydrophobicContact CB-CD1 4.35Å; L234-I527 HydrophobicContact CD2-CD1 3.8Å; L234-I527 HydrophobicContact CD2-CG1 4.48Å; L234-I527 HydrophobicContact CD2-CG2 4.47Å; L234-I527 HydrophobicContact CG-CD1 3.84Å; L234-I527 HydrophobicContact CG-CG1 4.07Å; L234-I527 HydrophobicContact CG-CG2 4.35Å; C235-I527 HydrophobicContact CB-CG1 4.05Å; A238-I527 HydrophobicContact CB-CG2 4.48Å; M523-I527 HydrophobicContact CB-CD1 4.48Å; M523-I527 PolarHBondContact O-N 2.91Å; M523-I527 VanDerWaalsContact O-N 3.1Å; T524-I527 PolarHBondContact O-N 3.08Å; V525-I527 VanDerWaalsContact C-N 3.32Å; V525-I527 PolarHBondContact O-N 2.98Å; I527-S529 PolarHBondContact O-N 3.32Å; I527-S529 VanDerWaalsContact O-N 3.12Å; I527-C530 PolarHBondContact O-N 3.25Å; I527-C530 VanDerWaalsContact O-N 3.12Å; I527-C530 PolarHBondContact O-SG 3.5Å
528V95.8Very high93.5Very high27 Ų2740.5 Ų40.516%0.16419%0.193CC..Hα-helixtrans-63.3-19.9-179.8172.70000112.7F447 L450 T524 V525 C530 L531F447-V528 HydrophobicContact CD2-CG1 3.84Å; F447-V528 HydrophobicContact CE2-CG1 3.99Å; L450-V528 HydrophobicContact CD1-CG1 4.19Å; L450-V528 HydrophobicContact CD1-CG2 4.02Å; L450-V528 HydrophobicContact CD2-CB 4.25Å; L450-V528 HydrophobicContact CD2-CG1 4.2Å; L450-V528 HydrophobicContact CD2-CG2 4.03Å; T524-V528 HydrophobicContact CG2-CG2 4.27Å; T524-V528 WeakPolarHBondContact O-CB 3.41Å; T524-V528 VanDerWaalsContact O-CG2 3.28Å; T524-V528 WeakPolarHBondContact O-CG2 3.49Å; T524-V528 PolarHBondContact O-N 2.99Å; V525-V528 PolarHBondContact O-N 3.31Å; V528-C530 PolarHBondContact O-N 3.38Å; V528-L531 HydrophobicContact CG1-CD1 4.08Å; V528-L531 WeakPolarHBondContact O-CB 3.42Å; V528-L531 WeakPolarHBondContact O-CG 3.04Å; V528-L531 PolarHBondContact O-N 2.95Å
529S93.6Very high93.2Very high0 Ų043.8 Ų43.80%021%0.213CC..G310 helixtrans-59.3-28.1173.681.50000113.4V525 G526 I527 L531 W532V525-S529 PolarHBondContact O-N 3.33Å; G526-S529 VanDerWaalsContact O-CB 3.3Å; G526-S529 WeakPolarHBondContact O-CB 3.33Å; G526-S529 PolarHBondContact O-N 2.85Å; G526-S529 PolarHBondContact O-OG 3.36Å; I527-S529 PolarHBondContact O-N 3.32Å; I527-S529 VanDerWaalsContact O-N 3.12Å; S529-L531 PolarHBondContact O-N 3.5Å; S529-W532 WeakPolarHBondContact O-CB 3.47Å; S529-W532 VanDerWaalsContact O-CD1 3.28Å; S529-W532 PolarHBondContact O-N 3.31Å; S529-W532 VanDerWaalsContact O-N 3.12Å
530C93.1Very high92.8Very high11 Ų1148.2 Ų48.27%0.07423%0.234CC..G310 helixtrans-67-22.1178.981.10000113.6A238 T242 I527 V528 W532 V533 W534A238-C530 HydrophobicContact CB-CB 3.93Å; A238-C530 WeakPolarHBondContact O-CB 3.31Å; T242-C530 WeakPolarHBondContact OG1-CA 3.38Å; I527-C530 PolarHBondContact O-N 3.25Å; I527-C530 VanDerWaalsContact O-N 3.12Å; I527-C530 PolarHBondContact O-SG 3.5Å; V528-C530 PolarHBondContact O-N 3.38Å; C530-W532 PolarHBondContact O-N 3.38Å; C530-V533 HydrophobicContact CB-CG2 4.47Å; C530-V533 WeakPolarHBondContact O-CG2 3.36Å; C530-V533 PolarHBondContact O-N 2.92Å; C530-W534 PolarHBondContact O-N 2.87Å
531L92.9Very high92.4Very high72 Ų7248.8 Ų48.838%0.37724%0.237SC..G310 helixtrans-63.6-14.6175.1-55.6-174000112.4K443 V528 S529 W534K443-L531 PolarHBondContact NZ-O 3.35Å; V528-L531 HydrophobicContact CG1-CD1 4.08Å; V528-L531 WeakPolarHBondContact O-CB 3.42Å; V528-L531 WeakPolarHBondContact O-CG 3.04Å; V528-L531 PolarHBondContact O-N 2.95Å; S529-L531 PolarHBondContact O-N 3.5Å; L531-W534 HydrophobicContact CD2-CD2 3.91Å; L531-W534 HydrophobicContact CD2-CE3 3.4Å; L531-W534 VanDerWaalsContact CD2-CE3 3.4Å; L531-W534 HydrophobicContact CD2-CH2 3.97Å; L531-W534 HydrophobicContact CD2-CZ2 4.42Å; L531-W534 HydrophobicContact CD2-CZ3 3.44Å; L531-W534 VanDerWaalsContact CD2-CZ3 3.44Å
532W91.4Very high92Very high19 Ų1949.2 Ų49.27%0.07224%0.236CC..G310 helixtrans-76.9-22.8172.6-67.482.5000113.4R252 F253 K257 V260 L440 K443 I444 F447 S529 C530R252-W532 PolarHBondContact NH2-O 3.31Å; F253-W532 HydrophobicContact CE1-CB 4.4Å; K257-W532 HydrophobicContact CB-CE3 4.42Å; K257-W532 HydrophobicContact CB-CZ3 3.92Å; V260-W532 HydrophobicContact CG1-CB 4.4Å; V260-W532 HydrophobicContact CG1-CD2 3.97Å; V260-W532 HydrophobicContact CG1-CG 3.72Å; V260-W532 HydrophobicContact CG2-CD2 4.19Å; V260-W532 HydrophobicContact CG2-CH2 4.33Å; V260-W532 HydrophobicContact CG2-CZ2 3.93Å; L440-W532 HydrophobicContact CD1-CZ3 4.13Å; K443-W532 HydrophobicContact CB-CH2 4.27Å; K443-W532 HydrophobicContact CD-CD2 4.38Å; K443-W532 HydrophobicContact CD-CE3 4.12Å; K443-W532 HydrophobicContact CD-CH2 4.07Å; K443-W532 HydrophobicContact CD-CZ2 4.36Å; K443-W532 HydrophobicContact CD-CZ3 3.96Å; K443-W532 HydrophobicContact CG-CH2 3.75Å; K443-W532 HydrophobicContact CG-CZ2 3.89Å; K443-W532 HydrophobicContact CG-CZ3 4.16Å; I444-W532 HydrophobicContact CB-CH2 4.41Å; I444-W532 HydrophobicContact CG1-CH2 3.61Å; I444-W532 HydrophobicContact CG1-CZ3 4.39Å; F447-W532 HydrophobicContact CB-CZ2 3.81Å; F447-W532 HydrophobicContact CD1-CZ2 4.38Å; F447-W532 AromaticContact CD2-NE1 3.3Å; F447-W532 VanDerWaalsContact CD2-NE1 3.3Å; F447-W532 AromaticContact CE2-NE1 3.68Å; F447-W532 AromaticContact CG-CZ2 3.99Å; F447-W532 HydrophobicContact CG-CZ2 3.99Å; F447-W532 AromaticContact CG-NE1 3.63Å; S529-W532 WeakPolarHBondContact O-CB 3.47Å; S529-W532 VanDerWaalsContact O-CD1 3.28Å; S529-W532 PolarHBondContact O-N 3.31Å; S529-W532 VanDerWaalsContact O-N 3.12Å; C530-W532 PolarHBondContact O-N 3.38Å
533V91.4Very high91.7Very high2 Ų253.8 Ų53.81%0.01226%0.256CS..THydrogen-bonded Turntrans-103.5-4.9176.8-63.80000113.7L241 T242 T245 F253 C530 S535 T538L241-V533 HydrophobicContact CD2-CG2 4.08Å; L241-V533 HydrophobicContact CG-CG2 4.01Å; T242-V533 HydrophobicContact CG2-CG1 4.29Å; T245-V533 HydrophobicContact CG2-CB 4.12Å; T245-V533 HydrophobicContact CG2-CG1 3.59Å; F253-V533 HydrophobicContact CE2-CG1 4.41Å; F253-V533 HydrophobicContact CZ-CG1 3.7Å; C530-V533 HydrophobicContact CB-CG2 4.47Å; C530-V533 WeakPolarHBondContact O-CG2 3.36Å; C530-V533 PolarHBondContact O-N 2.92Å; V533-S535 PolarHBondContact O-N 3.39Å; V533-T538 HydrophobicContact CB-CG2 4.31Å; V533-T538 WeakPolarHBondContact O-CB 3.41Å; V533-T538 VanDerWaalsContact O-CG2 3.3Å; V533-T538 WeakPolarHBondContact O-CG2 3.48Å; V533-T538 PolarHBondContact O-OG1 2.96Å
534W87.9Confident91.3Very high176 Ų17660.7 Ų60.767%0.66728%0.282SS*.  trans-72.7102.3170.1-72.24.2000111.9C530 L531C530-W534 PolarHBondContact O-N 2.87Å; L531-W534 HydrophobicContact CD2-CD2 3.91Å; L531-W534 HydrophobicContact CD2-CE3 3.4Å; L531-W534 VanDerWaalsContact CD2-CE3 3.4Å; L531-W534 HydrophobicContact CD2-CH2 3.97Å; L531-W534 HydrophobicContact CD2-CZ2 4.42Å; L531-W534 HydrophobicContact CD2-CZ3 3.44Å; L531-W534 VanDerWaalsContact CD2-CZ3 3.44Å
535S87Confident90.8Very high45 Ų4564 Ų6432%0.31529%0.294SS..SBendtrans-168155.8176.369.70000112.2R252 V533 K537 T538 V539R252-S535 PolarHBondContact NH1-OG 3.13Å; R252-S535 PolarHBondContact NH2-OG 3.27Å; V533-S535 PolarHBondContact O-N 3.39Å; S535-K537 PolarHBondContact O-N 3.02Å; S535-T538 VanDerWaalsContact O-CB 3.29Å; S535-T538 WeakPolarHBondContact O-CB 3.04Å; S535-T538 PolarHBondContact O-N 2.81Å; S535-T538 PolarHBondContact O-OG1 3.16Å; S535-T538 PolarHBondContact OG-N 3.21Å; S535-T538 PolarHBondContact OG-OG1 3.24Å; S535-V539 PolarHBondContact O-N 3.43Å
536K88.7Confident90.4Very high184 Ų18467.7 Ų67.780%0.831%0.313SS*.Hα-helixtrans-53.3-38.3172.3-65.9-173.6177.2-175.30113.2T538 V539 Q540K536-T538 VanDerWaalsContact C-N 3.26Å; K536-T538 PolarHBondContact O-N 2.04Å; K536-V539 PolarHBondContact O-N 3.45Å; K536-Q540 WeakPolarHBondContact O-CG 3.47Å; K536-Q540 PolarHBondContact O-N 3Å; K536-Q540 VanDerWaalsContact O-N 3.08Å
537K86.1Confident90Very high152 Ų15271.3 Ų71.366%0.66134%0.337SS*.Hα-helixtrans-59.8-35.1176.4-68.8-170.1175.7-170.70112.7S535 Q540 T541S535-K537 PolarHBondContact O-N 3.02Å; K537-Q540 PolarHBondContact O-N 2.91Å; K537-T541 PolarHBondContact O-N 2.74Å; K537-T541 PolarHBondContact O-OG1 3.38Å; K537-T541 VanDerWaalsContact O-OG1 3.11Å
538T87.2Confident89.4Confident11 Ų1180 Ų807%0.06737%0.368CS..Hα-helixtrans-66.6-49.5177.3-47.50000110.6T245 R252 V533 S535 K536 Q540 T541 W542T245-T538 HydrophobicContact CG2-CG2 3.94Å; R252-T538 VanDerWaalsContact CZ-OG1 3.3Å; R252-T538 PolarHBondContact NH1-OG1 3.39Å; R252-T538 PolarHBondContact NH2-OG1 3.2Å; R252-T538 VanDerWaalsContact NH2-OG1 3.1Å; V533-T538 HydrophobicContact CB-CG2 4.31Å; V533-T538 WeakPolarHBondContact O-CB 3.41Å; V533-T538 VanDerWaalsContact O-CG2 3.3Å; V533-T538 WeakPolarHBondContact O-CG2 3.48Å; V533-T538 PolarHBondContact O-OG1 2.96Å; S535-T538 VanDerWaalsContact O-CB 3.29Å; S535-T538 WeakPolarHBondContact O-CB 3.04Å; S535-T538 PolarHBondContact O-N 2.81Å; S535-T538 PolarHBondContact O-OG1 3.16Å; S535-T538 PolarHBondContact OG-N 3.21Å; S535-T538 PolarHBondContact OG-OG1 3.24Å; K536-T538 VanDerWaalsContact C-N 3.26Å; K536-T538 PolarHBondContact O-N 2.04Å; T538-Q540 PolarHBondContact O-N 3.44Å; T538-T541 PolarHBondContact O-N 3.16Å; T538-W542 VanDerWaalsContact CG2-CD1 3.47Å; T538-W542 VanDerWaalsContact O-CD1 3.27Å; T538-W542 PolarHBondContact O-N 2.98Å
539V89.8Confident88.6Confident85 Ų8582.1 Ų82.152%0.51539%0.385SS..Hα-helixtrans-54.6-44.4176.5-178.10000110.1S535 K536 T541 W542 Q543S535-V539 PolarHBondContact O-N 3.43Å; K536-V539 PolarHBondContact O-N 3.45Å; V539-T541 PolarHBondContact O-N 2.89Å; V539-W542 PolarHBondContact O-N 2.98Å; V539-Q543 HydrophobicContact CG1-CG 4.27Å; V539-Q543 VanDerWaalsContact O-CB 3.27Å; V539-Q543 WeakPolarHBondContact O-CB 3.12Å; V539-Q543 WeakPolarHBondContact O-CG 3.45Å; V539-Q543 PolarHBondContact O-N 2.83Å
540Q89Confident87.5Confident100 Ų10088.7 Ų88.747%0.46742%0.419SS..Hα-helixtrans-64.3-35175.4-68.6171.8-24.800114.3K536 K537 T538 R544K536-Q540 WeakPolarHBondContact O-CG 3.47Å; K536-Q540 PolarHBondContact O-N 3Å; K536-Q540 VanDerWaalsContact O-N 3.08Å; K537-Q540 PolarHBondContact O-N 2.91Å; T538-Q540 PolarHBondContact O-N 3.44Å; Q540-R544 WeakPolarHBondContact O-CB 3.24Å; Q540-R544 WeakPolarHBondContact O-CG 3.34Å; Q540-R544 PolarHBondContact O-N 2.81Å; Q540-R544 VanDerWaalsContact O-N 3.13Å; Q540-R544 PolarHBondContact O-NE 3.3Å
541T87.8Confident85.9Confident17 Ų1794.2 Ų94.210%0.10445%0.447CS..Hα-helixtrans-70.9-44.4175.4-64.20000110.9L248 D249 K537 T538 V539 R544 F545L248-T541 HydrophobicContact CB-CG2 3.84Å; L248-T541 HydrophobicContact CD1-CG2 4.42Å; D249-T541 HydrophobicContact CB-CG2 4.33Å; K537-T541 PolarHBondContact O-N 2.74Å; K537-T541 PolarHBondContact O-OG1 3.38Å; K537-T541 VanDerWaalsContact O-OG1 3.11Å; T538-T541 PolarHBondContact O-N 3.16Å; V539-T541 PolarHBondContact O-N 2.89Å; T541-R544 PolarHBondContact O-N 2.85Å; T541-R544 PolarHBondContact OG1-NH2 3.06Å; T541-F545 PolarHBondContact O-N 3.38Å
542W89.8Confident84Confident61 Ų6195.9 Ų95.923%0.23146%0.462CS..Hα-helixtrans-67.8-41.1177.4-79.577.6000112.2L241 V244 T245 L248 T538 V539 R544 F545 L546L241-W542 HydrophobicContact CD1-CH2 4.11Å; L241-W542 HydrophobicContact CD1-CZ2 3.61Å; V244-W542 HydrophobicContact CB-CH2 3.83Å; V244-W542 HydrophobicContact CB-CZ2 3.78Å; V244-W542 HydrophobicContact CG1-CH2 3.39Å; V244-W542 HydrophobicContact CG1-CZ2 3.53Å; V244-W542 HydrophobicContact CG1-CZ3 4.26Å; T245-W542 PolarHBondContact OG1-NE1 2.04Å; L248-W542 HydrophobicContact CD1-CD2 4.27Å; T538-W542 VanDerWaalsContact CG2-CD1 3.47Å; T538-W542 VanDerWaalsContact O-CD1 3.27Å; T538-W542 PolarHBondContact O-N 2.98Å; V539-W542 PolarHBondContact O-N 2.98Å; W542-R544 PolarHBondContact O-N 2.67Å; W542-F545 PolarHBondContact O-N 3.47Å; W542-L546 WeakPolarHBondContact O-CB 3.21Å; W542-L546 VanDerWaalsContact O-CG 3.3Å; W542-L546 WeakPolarHBondContact O-CG 3.48Å; W542-L546 PolarHBondContact O-N 2.77Å
543Q89.7Confident82.3Confident110 Ų11099.9 Ų99.951%0.51450%0.499SS..Hα-helixtrans-56.5-48.6169.9-78.1171.5-3100111.2V539 F545 L546 C547V539-Q543 HydrophobicContact CG1-CG 4.27Å; V539-Q543 VanDerWaalsContact O-CB 3.27Å; V539-Q543 WeakPolarHBondContact O-CB 3.12Å; V539-Q543 WeakPolarHBondContact O-CG 3.45Å; V539-Q543 PolarHBondContact O-N 2.83Å; Q543-F545 VanDerWaalsContact C-N 3.31Å; Q543-F545 PolarHBondContact O-N 3.2Å; Q543-L546 PolarHBondContact O-N 3.35Å; Q543-C547 VanDerWaalsContact O-CB 3.31Å; Q543-C547 WeakPolarHBondContact O-CB 3.3Å; Q543-C547 PolarHBondContact O-N 3Å; Q543-C547 PolarHBondContact O-SG 2.72Å
544R87.8Confident80.4Confident145 Ų145104 Ų10455%0.54753%0.534SS..Hα-helixtrans-61.4-36.8176.9-81177.1-76162.8-3.4112.9Q540 T541 W542 R548Q540-R544 WeakPolarHBondContact O-CB 3.24Å; Q540-R544 WeakPolarHBondContact O-CG 3.34Å; Q540-R544 PolarHBondContact O-N 2.81Å; Q540-R544 VanDerWaalsContact O-N 3.13Å; Q540-R544 PolarHBondContact O-NE 3.3Å; T541-R544 PolarHBondContact O-N 2.85Å; T541-R544 PolarHBondContact OG1-NH2 3.06Å; W542-R544 PolarHBondContact O-N 2.67Å; R544-R548 VanDerWaalsContact O-CB 3.3Å; R544-R548 WeakPolarHBondContact O-CB 3.33Å; R544-R548 WeakPolarHBondContact O-CG 3.42Å; R544-R548 PolarHBondContact O-N 3.48Å
545F86.6Confident78.8Confident92 Ų92102.3 Ų102.340%0.40454%0.542SS..Hα-helixtrans-69.9-47.2176177-105.9000112.4L248 T541 W542 Q543 R548 S549L248-F545 HydrophobicContact CD1-CB 4.05Å; L248-F545 HydrophobicContact CD1-CD1 4.26Å; L248-F545 HydrophobicContact CD1-CG 4.04Å; L248-F545 HydrophobicContact CD2-CB 4.12Å; L248-F545 HydrophobicContact CD2-CD1 4.32Å; L248-F545 HydrophobicContact CD2-CD2 3.34Å; L248-F545 HydrophobicContact CD2-CE2 3.75Å; L248-F545 HydrophobicContact CD2-CG 3.66Å; L248-F545 HydrophobicContact CD2-CZ 4.4Å; T541-F545 PolarHBondContact O-N 3.38Å; W542-F545 PolarHBondContact O-N 3.47Å; Q543-F545 VanDerWaalsContact C-N 3.31Å; Q543-F545 PolarHBondContact O-N 3.2Å; F545-R548 PolarHBondContact O-N 3.18Å; F545-S549 PolarHBondContact O-N 3Å; F545-S549 PolarHBondContact O-OG 3.13Å
546L88.5Confident76.6Confident83 Ų83104.6 Ų104.644%0.43556%0.564SS.*Hα-helixtrans-64.7-45.8178.5-68.8170.7000111.4W542 Q543 R548 S549 L550W542-L546 WeakPolarHBondContact O-CB 3.21Å; W542-L546 VanDerWaalsContact O-CG 3.3Å; W542-L546 WeakPolarHBondContact O-CG 3.48Å; W542-L546 PolarHBondContact O-N 2.77Å; Q543-L546 PolarHBondContact O-N 3.35Å; L546-R548 VanDerWaalsContact C-N 3.3Å; L546-R548 PolarHBondContact O-N 3.39Å; L546-S549 WeakPolarHBondContact CA-OG 3.34Å; L546-S549 PolarHBondContact O-N 2.98Å; L546-S549 PolarHBondContact O-OG 3.13Å; L546-L550 HydrophobicContact CB-CD1 4.46Å; L546-L550 VanDerWaalsContact O-CB 3.3Å; L546-L550 WeakPolarHBondContact O-CB 3.32Å; L546-L550 VanDerWaalsContact O-CG 3.28Å; L546-L550 WeakPolarHBondContact O-CG 3.47Å; L546-L550 PolarHBondContact O-N 3.04Å
547C88.2Confident74.5Confident75 Ų75101.2 Ų101.251%0.50756%0.563SS.*Hα-helixtrans-61.1-37.1174.9-670000112.5Q543 L551Q543-C547 VanDerWaalsContact O-CB 3.31Å; Q543-C547 WeakPolarHBondContact O-CB 3.3Å; Q543-C547 PolarHBondContact O-N 3Å; Q543-C547 PolarHBondContact O-SG 2.72Å; C547-L551 VanDerWaalsContact O-CB 3.29Å; C547-L551 WeakPolarHBondContact O-CB 3.31Å; C547-L551 WeakPolarHBondContact O-CD1 3.34Å; C547-L551 WeakPolarHBondContact O-CG 3.21Å; C547-L551 PolarHBondContact O-N 2.77Å; C547-L551 VanDerWaalsContact O-N 3.14Å
548R84.7Confident72.1Confident212 Ų212103.4 Ų103.480%0.857%0.573SS**Hα-helixtrans-74.2-23.8177.3-78.8178.1175.3-164.7-2.7114.4R544 F545 L546R544-R548 VanDerWaalsContact O-CB 3.3Å; R544-R548 WeakPolarHBondContact O-CB 3.33Å; R544-R548 WeakPolarHBondContact O-CG 3.42Å; R544-R548 PolarHBondContact O-N 3.48Å; F545-R548 PolarHBondContact O-N 3.18Å; L546-R548 VanDerWaalsContact C-N 3.3Å; L546-R548 PolarHBondContact O-N 3.39Å
549S79Confident69.9Low73 Ų73108.5 Ų108.551%0.5161%0.606SS.*Hα-helixtrans-92.8-25.5178.244.10000112.8F545 L546F545-S549 PolarHBondContact O-N 3Å; F545-S549 PolarHBondContact O-OG 3.13Å; L546-S549 WeakPolarHBondContact CA-OG 3.34Å; L546-S549 PolarHBondContact O-N 2.98Å; L546-S549 PolarHBondContact O-OG 3.13Å
550L71.5Confident67.9Low137 Ų137110 Ų11072%0.71762%0.616SS**Hα-helixtrans-92.4-17.3178.2-64.4170.8000114L546L546-L550 HydrophobicContact CB-CD1 4.46Å; L546-L550 VanDerWaalsContact O-CB 3.3Å; L546-L550 WeakPolarHBondContact O-CB 3.32Å; L546-L550 VanDerWaalsContact O-CG 3.28Å; L546-L550 WeakPolarHBondContact O-CG 3.47Å; L546-L550 PolarHBondContact O-N 3.04Å
551L59Low65.7Low127 Ų127113.9 Ų113.967%0.66563%0.633SS**SBendtrans-92.8120.4170.7-72.6167.6000110.2C547C547-L551 VanDerWaalsContact O-CB 3.29Å; C547-L551 WeakPolarHBondContact O-CB 3.31Å; C547-L551 WeakPolarHBondContact O-CD1 3.34Å; C547-L551 WeakPolarHBondContact O-CG 3.21Å; C547-L551 PolarHBondContact O-N 2.77Å; C547-L551 VanDerWaalsContact O-N 3.14Å
552P52.3Low63.7Low108 Ų108123.1 Ų123.170%0.70167%0.668SS**  trans-57.1146.4169.3-22.433.3000111A554P552-A554 PolarHBondContact O-N 3.39Å
553A55.8Low61.5Low102 Ų102124.2 Ų124.284%0.84369%0.69SS**SBendtrans-67.214.1-174.200000115.8V555A553-V555 PolarHBondContact O-N 3.24Å
554A51.9Low59.3Low89 Ų89124.8 Ų124.874%0.73670%0.703SS**THydrogen-bonded Turntrans-84.73-165.200000116.1P552P552-A554 PolarHBondContact O-N 3.39Å
555V53.7Low57.3Low140 Ų140124.9 Ų124.985%0.84872%0.719SS**THydrogen-bonded Turntrans-127.316.1-174.3-159.50000113A553A553-V555 PolarHBondContact O-N 3.24Å
556A42.7Very low55.5Low93 Ų93128 Ų12877%0.76974%0.74SS**  trans-11141.5-171.900000114.9
557S43.1Very low53.1Low113 Ų113129.6 Ų129.679%0.7976%0.758SS**  trans-152.148175.6570000115.5
558K37.1Very low51Low198 Ų198137.2 Ų137.286%0.86178%0.776SS**  trans-99.8119.1149.9-83.4-169.7175.5-177.50108.9V560K558-V560 PolarHBondContact O-N 3.29Å
559P40.8Very low49Very low118 Ų118138.3 Ų138.377%0.76678%0.78SS**  trans-71.3123.4178.528.8-32.7000109.6H561P559-H561 PolarHBondContact O-N 3.15Å
560V46.4Very low47.4Very low118 Ų118141 Ų14172%0.71580%0.795SS**  trans-77.6110170.11770000107.9K558 Y562K558-V560 PolarHBondContact O-N 3.29Å; V560-Y562 PolarHBondContact O-N 3.28Å
561H44.5Very low46.1Very low180 Ų180143.2 Ų143.283%0.83380%0.802SS**  trans-61.9119.1166.8-101.2-84.6000109.5P559 A563P559-H561 PolarHBondContact O-N 3.15Å; H561-A563 PolarHBondContact O-N 3.2Å
562Y44.7Very low45.2Very low211 Ų211142 Ų14283%0.82781%0.81SS**  trans-78.1110.5163.9-73.2-89.5000108.6V560V560-Y562 PolarHBondContact O-N 3.28Å
563A42.8Very low44.8Very low84 Ų84142.9 Ų142.969%0.69482%0.816SS**  trans-74.9138165.200000109.5H561 V565H561-A563 PolarHBondContact O-N 3.2Å; A563-V565 PolarHBondContact O-N 3.21Å
564P44.2Very low44Very low123 Ų123142.9 Ų142.980%0.79981%0.81SS**  trans-72.2129.5-18029-33.5000110.8L566P564-L566 PolarHBondContact O-N 2.65Å
565V46.7Very low43.4Very low146 Ų146143.4 Ų143.489%0.88581%0.808SS**  trans-73110.5173.8176.70000109.1A563A563-V565 PolarHBondContact O-N 3.21Å
566L46.9Very low42.5Very low159 Ų159145.3 Ų145.383%0.83281%0.808SS**  trans-61.7130.9171.2-92.9153.3000110.9P564 R568P564-L566 PolarHBondContact O-N 2.65Å; L566-R568 PolarHBondContact O-N 3.03Å
567S38.8Very low42.2Very low116 Ų116150.4 Ų150.481%0.81182%0.816SS**  trans-63.2115.8177.6-176.20000111.3
568R44.2Very low41.7Very low235 Ų235153.5 Ų153.589%0.88782%0.822SS**  trans-108.9125.9158.8-77.5-169.9-178.5-168.41.7109L566L566-R568 PolarHBondContact O-N 3.03Å
569R42Very low41.7Very low235 Ų235149.4 Ų149.489%0.88782%0.819SS**PPolyproline II helixtrans-58.8136.1167.1-70.7177.4175.6167.6-2.1109.4
570P47.1Very low41.7Very low128 Ų128150.3 Ų150.383%0.83182%0.822SS**PPolyproline II helixtrans-78.7122.2162.6-6.624.4000109.4
571E44.3Very low41.2Very low185 Ų185147.6 Ų147.686%0.86482%0.818SS**PPolyproline II helixtrans-69.9149.5158.5-70.5172.3131.700109.3P573E571-P573 WeakPolarHBondContact O-CD 2.88Å
572A38.4Very low40.8Very low101 Ų101143.8 Ų143.884%0.83581%0.81SS**PPolyproline II helixtrans-86.9128.7-175.100000111.9
573P43.7Very low40.7Very low126 Ų126144.6 Ų144.682%0.81881%0.813SS**PPolyproline II helixtrans-89.1138.5162.8-3.223.1000110.6E571E571-P573 WeakPolarHBondContact O-CD 2.88Å
574S40.4Very low40.5Very low103 Ų103149.1 Ų149.172%0.7282%0.82SS**PPolyproline II helixtrans-74.1154.8177.951.30000113.7
575S38.9Very low40.3Very low99 Ų99151.8 Ų151.869%0.69282%0.819SS**  trans62.2126.3145.857.90000120.7
576Q35Very low40Very low181 Ų181149.3 Ų149.385%0.84681%0.809SS**  trans68.394.9148.2-62.61754.300118.4
577Q36.6Very low39.8Very low200 Ų200148.1 Ų148.194%0.93580%0.802SS**  -145.9125127.7-115.1170.110.700111.1S579Q577-S579 PolarHBondContact O-N 2.7Å
578L32.8Very low39.8Very low177 Ų177149.5 Ų149.593%0.92780%0.801SS**  trans-67.7125.3177.5-103.664.8000110.4
579S36.4Very low39.6Very low112 Ų112149.1 Ų149.178%0.78380%0.799SS**  trans-143110152.2-177.40000110.1Q577Q577-S579 PolarHBondContact O-N 2.7Å
580T41Very low39.9Very low138 Ų138143.7 Ų143.785%0.84779%0.792SS**  trans-41.7143.916046.90000112
581G35.4Very low40.2Very low60 Ų60143.6 Ų143.662%0.61979%0.791SS**  cis148.394.51.600000111.2
582C36.9Very low40.4Very low100 Ų100140.4 Ų140.468%0.67679%0.79SS**  trans-146.185166.2-97.20000109.7C430C430-C582 HydrophobicContact CB-CB 4.44Å
583Y41.3Very low40.7Very low228 Ų228144.5 Ų144.589%0.89479%0.789SS**  trans-74.8128.7176.2-78.2-85.7000111.1F585Y583-F585 PolarHBondContact O-N 3.21Å
584H40.3Very low41.2Very low179 Ų179147.8 Ų147.883%0.82981%0.81SS**  trans-85.592.6-178.5-159.2-84.5000109.8S586H584-S586 PolarHBondContact O-N 3.31Å; H584-S586 VanDerWaalsContact O-N 3.14Å
585F38.2Very low41.2Very low180 Ų180150.1 Ų150.179%0.78982%0.815SS**  trans-78100-179.6-156.3-89.9000111Y583 L587Y583-F585 PolarHBondContact O-N 3.21Å; F585-L587 HydrophobicContact CD1-CG 4.05Å; F585-L587 HydrophobicContact CE1-CD2 4.07Å; F585-L587 HydrophobicContact CE1-CG 4Å
586S41.2Very low41.4Very low94 Ų94152.7 Ų152.766%0.65782%0.821SS**  trans-86.8106.9176.2-161.40000110.4H584 N588H584-S586 PolarHBondContact O-N 3.31Å; H584-S586 VanDerWaalsContact O-N 3.14Å; S586-N588 PolarHBondContact O-N 3.08Å
587L42.2Very low41.7Very low134 Ų134151.2 Ų151.270%0.70282%0.82SS**  trans-77.184.9174.8-91.5163.2000110.9F585 R589F585-L587 HydrophobicContact CD1-CG 4.05Å; F585-L587 HydrophobicContact CE1-CD2 4.07Å; F585-L587 HydrophobicContact CE1-CG 4Å; L587-R589 PolarHBondContact O-N 3.28Å
588N38.6Very low42Very low145 Ų145148.3 Ų148.378%0.77581%0.813SS**  trans-86.798.7162.4-12311.8000108.8S586S586-N588 PolarHBondContact O-N 3.08Å
589R41.7Very low42.6Very low227 Ų227146.5 Ų146.586%0.85781%0.806SS**  trans-114.890.6164.7-86-165.4-178.6-167.22109.9L587L587-R589 PolarHBondContact O-N 3.28Å
590T48.6Very low43Very low120 Ų120148.8 Ų148.874%0.73681%0.807SS**  trans-97.8117.6157.244.40000108.5S592T590-S592 PolarHBondContact O-N 3.43Å
591P52.3Low43.1Very low126 Ų126149.6 Ų149.682%0.81881%0.805SS**  trans-85.2106.4169.431.7-28.3000109.5
592S48.8Very low43.7Very low119 Ų119156.5 Ų156.583%0.83282%0.819SS**  trans-76123.316349.80000109.3T590T590-S592 PolarHBondContact O-N 3.43Å
593K44.8Very low44.3Very low186 Ų186161.2 Ų161.281%0.80983%0.831SS**  trans-70.4171169.8-61.1177.6165.4-175.10111.7
594P53.6Low44.6Very low196 Ų196155.1 Ų155.1100%1.27383%0.825SS**  -70013033.4-29.1000111.1

Retrieved 594 of 594 residues in 784.2 ms (Link to these results)

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