A0A087YDK5_POEFO Loading...

Delta(24)-sterol reductase

Catalyzes the reduction of the delta-24 double bond of sterol intermediates during cholesterol biosynthesis. In addition to its cholesterol-synthesizing activity, can protect cells from oxidative stress by reducing caspase 3 activity during apoptosis induced by oxidative stress. Also protects against amyloid-beta peptide-induced apoptosis.

AlphaFold DB , UniProt , Accession A0A087YDK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 517 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
1M53.1Low66.5Low224 Ų224109.7 Ų109.7100%1.10360%0.595SS**  0126.50-73.8172.368.800107.8
2S61.5Low67.2Low53 Ų53107.2 Ų107.237%0.37159%0.585SS.*  trans-73.9146.5-170.274.80000111.9L4 L5 Y6S2-L4 PolarHBondContact O-N 3.22Å; S2-L4 VanDerWaalsContact O-N 3.1Å; S2-L5 PolarHBondContact O-N 2.59Å; S2-Y6 PolarHBondContact O-N 2.63Å
3P65.8Low67.4Low103 Ų103110.5 Ų110.567%0.66959%0.591SS**Hα-helixtrans-54.5-28.7176.3-25.333.1000113.7Y6 L7P3-Y6 PolarHBondContact O-N 2.95Å; P3-L7 PolarHBondContact O-N 3.17Å
4L64.2Low67.4Low142 Ų142110.9 Ų110.974%0.74359%0.585SS**Hα-helixtrans-65.4-37.3176.5-87150.6000113.3S2 Y6 G8S2-L4 PolarHBondContact O-N 3.22Å; S2-L4 VanDerWaalsContact O-N 3.1Å; L4-Y6 VanDerWaalsContact C-N 3.33Å; L4-G8 PolarHBondContact O-N 3.39Å
5L66.1Low67.3Low118 Ų118109.9 Ų109.962%0.61858%0.579SS**Hα-helixtrans-69.4-33.5174.8-88.2154.4000111.6S2 A9S2-L5 PolarHBondContact O-N 2.59Å; L5-A9 VanDerWaalsContact O-CB 3.3Å; L5-A9 WeakPolarHBondContact O-CB 3.1Å; L5-A9 PolarHBondContact O-N 3.41Å
6Y71.1Confident66.9Low173 Ų173108.4 Ų108.468%0.67857%0.572SS**Hα-helixtrans-72.4-42177.2-150.3-92.8000111.9S2 P3 L4 A9 L10S2-Y6 PolarHBondContact O-N 2.63Å; P3-Y6 PolarHBondContact O-N 2.95Å; L4-Y6 VanDerWaalsContact C-N 3.33Å; Y6-A9 PolarHBondContact O-N 2.82Å; Y6-L10 HydrophobicContact CD1-CD1 3.71Å; Y6-L10 HydrophobicContact CD1-CG 4.46Å; Y6-L10 HydrophobicContact CE1-CD1 3.93Å; Y6-L10 WeakPolarHBondContact O-CB 2.94Å; Y6-L10 PolarHBondContact O-N 2.78Å
7L68.2Low66.6Low114 Ų114108.8 Ų108.860%0.59756%0.564SS**Hα-helixtrans-64-41.8172-94.9149.8000112.2P3 L10 L11P3-L7 PolarHBondContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 3.22Å; L7-L11 WeakPolarHBondContact O-CB 3.44Å; L7-L11 PolarHBondContact O-N 2.8Å
8G72.6Confident66.2Low34 Ų34106 Ų10635%0.35155%0.549SS..Hα-helixtrans-63.1-43.5174.400000112.4L4 L11 V12L4-G8 PolarHBondContact O-N 3.39Å; G8-L11 PolarHBondContact O-N 3.07Å; G8-V12 WeakPolarHBondContact O-CB 3.4Å; G8-V12 VanDerWaalsContact O-CG2 3.27Å; G8-V12 WeakPolarHBondContact O-CG2 3.38Å; G8-V12 PolarHBondContact O-N 2.79Å
9A70.3Confident65.7Low42 Ų42112.1 Ų112.135%0.34756%0.564SS.*Hα-helixtrans-64-44.5174.900000111.8L5 Y6 L11 V12 F13L5-A9 VanDerWaalsContact O-CB 3.3Å; L5-A9 WeakPolarHBondContact O-CB 3.1Å; L5-A9 PolarHBondContact O-N 3.41Å; Y6-A9 PolarHBondContact O-N 2.82Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-L11 PolarHBondContact O-N 3.28Å; A9-V12 PolarHBondContact O-N 2.86Å; A9-F13 WeakPolarHBondContact O-CB 3.21Å; A9-F13 WeakPolarHBondContact O-CD2 3.45Å; A9-F13 PolarHBondContact O-N 2.86Å
10L67.8Low65.2Low98 Ų98111.5 Ų111.551%0.51357%0.566SS.*Hα-helixtrans-59.6-41.5174.2-87.8161000112.2Y6 L7 F13 F14Y6-L10 HydrophobicContact CD1-CD1 3.71Å; Y6-L10 HydrophobicContact CD1-CG 4.46Å; Y6-L10 HydrophobicContact CE1-CD1 3.93Å; Y6-L10 WeakPolarHBondContact O-CB 2.94Å; Y6-L10 PolarHBondContact O-N 2.78Å; L7-L10 PolarHBondContact O-N 3.22Å; L10-F13 PolarHBondContact O-N 2.67Å; L10-F14 WeakPolarHBondContact O-CB 3.27Å; L10-F14 PolarHBondContact O-N 2.8Å
11L70.8Confident64.7Low106 Ų106113.3 Ų113.356%0.55557%0.57SS**Hα-helixtrans-66.1-40.1177.4-156.5110.6000111.4L7 G8 A9 F14 L15L7-L11 WeakPolarHBondContact O-CB 3.44Å; L7-L11 PolarHBondContact O-N 2.8Å; G8-L11 PolarHBondContact O-N 3.07Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-L11 PolarHBondContact O-N 3.28Å; L11-F14 PolarHBondContact O-N 3.07Å; L11-L15 HydrophobicContact CD2-CD1 3.89Å; L11-L15 HydrophobicContact CG-CD1 4.41Å; L11-L15 VanDerWaalsContact O-CB 3.32Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 3.3Å
12V74.5Confident64.9Low79 Ų79102.7 Ų102.748%0.47952%0.518SS..Hα-helixtrans-68.6-42.8176.1170.20000111.4G8 A9 F14 L15 L16G8-V12 WeakPolarHBondContact O-CB 3.4Å; G8-V12 VanDerWaalsContact O-CG2 3.27Å; G8-V12 WeakPolarHBondContact O-CG2 3.38Å; G8-V12 PolarHBondContact O-N 2.79Å; A9-V12 PolarHBondContact O-N 2.86Å; V12-F14 VanDerWaalsContact C-N 3.35Å; V12-L15 PolarHBondContact O-N 2.94Å; V12-L16 HydrophobicContact CG1-CD1 3.76Å; V12-L16 VanDerWaalsContact O-CB 3.27Å; V12-L16 WeakPolarHBondContact O-CB 3.37Å; V12-L16 WeakPolarHBondContact O-CG 3.14Å; V12-L16 PolarHBondContact O-N 3.33Å
13F70.4Confident64.7Low151 Ų151104.9 Ų104.966%0.66253%0.525SS*.Hα-helixtrans-65.2-36.8173.6-83.8-67.3000112.1A9 L10 W17A9-F13 WeakPolarHBondContact O-CB 3.21Å; A9-F13 WeakPolarHBondContact O-CD2 3.45Å; A9-F13 PolarHBondContact O-N 2.86Å; L10-F13 PolarHBondContact O-N 2.67Å; F13-W17 WeakPolarHBondContact O-CB 3.43Å; F13-W17 PolarHBondContact O-N 2.85Å
14F67.4Low64.2Low116 Ų116104.9 Ų104.951%0.50952%0.52SS..Hα-helixtrans-67.2-43.8174.2-179.7-107.5000111.7L10 L11 V12 W17 I18L10-F14 WeakPolarHBondContact O-CB 3.27Å; L10-F14 PolarHBondContact O-N 2.8Å; L11-F14 PolarHBondContact O-N 3.07Å; V12-F14 VanDerWaalsContact C-N 3.35Å; F14-W17 HydrophobicContact CD2-CE3 4.43Å; F14-W17 HydrophobicContact CE2-CE3 4.46Å; F14-W17 HydrophobicContact CE2-CZ3 4.48Å; F14-W17 PolarHBondContact O-N 2.88Å; F14-I18 HydrophobicContact CD1-CD1 3.72Å; F14-I18 HydrophobicContact CE1-CD1 3.33Å; F14-I18 HydrophobicContact CE1-CG1 4.4Å; F14-I18 HydrophobicContact CE2-CD1 4.29Å; F14-I18 HydrophobicContact CG-CD1 4.37Å; F14-I18 HydrophobicContact CZ-CD1 3.65Å; F14-I18 HydrophobicContact CZ-CG1 4.4Å; F14-I18 WeakPolarHBondContact O-CB 3.33Å; F14-I18 VanDerWaalsContact O-CG1 3.31Å; F14-I18 WeakPolarHBondContact O-CG1 3.4Å; F14-I18 PolarHBondContact O-N 3.06Å
15L65.8Low63.9Low95 Ų95104.4 Ų104.450%0.49751%0.509SS..Hα-helixtrans-66.6-39.8175.2-72.8168.7000112.1L11 V12 I18 R19L11-L15 HydrophobicContact CD2-CD1 3.89Å; L11-L15 HydrophobicContact CG-CD1 4.41Å; L11-L15 VanDerWaalsContact O-CB 3.32Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 3.3Å; V12-L15 PolarHBondContact O-N 2.94Å; L15-I18 PolarHBondContact O-N 3.36Å; L15-R19 WeakPolarHBondContact O-CB 3.38Å; L15-R19 PolarHBondContact O-N 3.13Å
16L61Low63.6Low87 Ų87101.4 Ų101.446%0.45550%0.496SS..Hα-helixtrans-65.8-40.7172.7-83.1160.6000111.5V12 R19 V20V12-L16 HydrophobicContact CG1-CD1 3.76Å; V12-L16 VanDerWaalsContact O-CB 3.27Å; V12-L16 WeakPolarHBondContact O-CB 3.37Å; V12-L16 WeakPolarHBondContact O-CG 3.14Å; V12-L16 PolarHBondContact O-N 3.33Å; L16-R19 PolarHBondContact O-N 3.28Å; L16-V20 WeakPolarHBondContact O-CB 3.15Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 2.94Å
17W62.4Low63.1Low115 Ų11595.2 Ų95.244%0.43647%0.474SS..Hα-helixtrans-62.3-48.2174.218080.5000110.8F13 F14 R19 V20 K21 G22F13-W17 WeakPolarHBondContact O-CB 3.43Å; F13-W17 PolarHBondContact O-N 2.85Å; F14-W17 HydrophobicContact CD2-CE3 4.43Å; F14-W17 HydrophobicContact CE2-CE3 4.46Å; F14-W17 HydrophobicContact CE2-CZ3 4.48Å; F14-W17 PolarHBondContact O-N 2.88Å; W17-R19 VanDerWaalsContact C-N 3.26Å; W17-R19 PolarHBondContact O-N 3.37Å; W17-V20 PolarHBondContact O-N 3.24Å; W17-K21 PolarHBondContact O-N 3.5Å; W17-G22 VanDerWaalsContact CH2-CA 3.45Å; W17-G22 VanDerWaalsContact CZ2-CA 3.49Å; W17-G22 PolarHBondContact O-N 3.13Å
18I59.4Low62.7Low58 Ų5892.3 Ų92.330%0.29746%0.46SS..Iπ-helixtrans-53.6-44.8172.8-74.2169000110.8F14 L15 V20 L23F14-I18 HydrophobicContact CD1-CD1 3.72Å; F14-I18 HydrophobicContact CE1-CD1 3.33Å; F14-I18 HydrophobicContact CE1-CG1 4.4Å; F14-I18 HydrophobicContact CE2-CD1 4.29Å; F14-I18 HydrophobicContact CG-CD1 4.37Å; F14-I18 HydrophobicContact CZ-CD1 3.65Å; F14-I18 HydrophobicContact CZ-CG1 4.4Å; F14-I18 WeakPolarHBondContact O-CB 3.33Å; F14-I18 VanDerWaalsContact O-CG1 3.31Å; F14-I18 WeakPolarHBondContact O-CG1 3.4Å; F14-I18 PolarHBondContact O-N 3.06Å; L15-I18 PolarHBondContact O-N 3.36Å; I18-V20 VanDerWaalsContact C-N 3.34Å; I18-V20 PolarHBondContact O-N 3.1Å; I18-L23 WeakPolarHBondContact O-CB 3.34Å; I18-L23 PolarHBondContact O-N 3.36Å
19R55.1Low62.3Low221 Ų22195.9 Ų95.983%0.83447%0.468SS*.Iπ-helixtrans-72.1-22.4-176-151.1-179.9-170.5-1762.6114.1L15 L16 W17L15-R19 WeakPolarHBondContact O-CB 3.38Å; L15-R19 PolarHBondContact O-N 3.13Å; L16-R19 PolarHBondContact O-N 3.28Å; W17-R19 VanDerWaalsContact C-N 3.26Å; W17-R19 PolarHBondContact O-N 3.37Å
20V56.4Low62.4Low101 Ų10197.6 Ų97.661%0.61247%0.469SS*.Iπ-helixtrans-114.3-33.9-171.7-177.20000113.8L16 W17 I18L16-V20 WeakPolarHBondContact O-CB 3.15Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 2.94Å; W17-V20 PolarHBondContact O-N 3.24Å; I18-V20 VanDerWaalsContact C-N 3.34Å; I18-V20 PolarHBondContact O-N 3.1Å
21K54.2Low62.7Low149 Ų14993.9 Ų93.965%0.64845%0.448SS*.Iπ-helixtrans-147.8-26.5-176.1-73.2-171.8177.8-178.50115.6W17 Y25W17-K21 PolarHBondContact O-N 3.5Å; K21-Y25 WeakPolarHBondContact O-CB 3.4Å; K21-Y25 PolarHBondContact O-N 2.63Å
22G57Low63.2Low1 Ų193 Ų931%0.0144%0.437CS..Iπ-helixtrans-73.3-36.7-17200000113.7W17 Y25 V26W17-G22 VanDerWaalsContact CH2-CA 3.45Å; W17-G22 VanDerWaalsContact CZ2-CA 3.49Å; W17-G22 PolarHBondContact O-N 3.13Å; G22-Y25 PolarHBondContact O-N 2.85Å; G22-V26 WeakPolarHBondContact O-CB 3.34Å; G22-V26 VanDerWaalsContact O-CG2 3.22Å; G22-V26 WeakPolarHBondContact O-CG2 3.22Å; G22-V26 PolarHBondContact O-N 3.06Å
23L58.2Low63.6Low99 Ų9991.9 Ų91.952%0.51843%0.428SS..Hα-helixtrans-63-46.9174.6-163.183.8000110.6I18 Y25 V26 I27I18-L23 WeakPolarHBondContact O-CB 3.34Å; I18-L23 PolarHBondContact O-N 3.36Å; L23-Y25 PolarHBondContact O-N 2.84Å; L23-V26 PolarHBondContact O-N 3.45Å; L23-I27 HydrophobicContact CD2-CD1 3.98Å; L23-I27 HydrophobicContact CG-CD1 3.73Å; L23-I27 HydrophobicContact CG-CG1 4.41Å; L23-I27 WeakPolarHBondContact O-CB 3.19Å; L23-I27 WeakPolarHBondContact O-CG1 3.5Å; L23-I27 PolarHBondContact O-N 3.06Å
24D54.3Low64.1Low103 Ų10388 Ų8855%0.55141%0.411SS*.Hα-helixtrans-63.7-41.9176.9-68.3-25000111.7V26 I27 V28D24-V26 PolarHBondContact O-N 3.41Å; D24-I27 PolarHBondContact O-N 3.3Å; D24-V28 VanDerWaalsContact O-CB 3.24Å; D24-V28 WeakPolarHBondContact O-CB 3.32Å; D24-V28 WeakPolarHBondContact O-CG2 3.27Å; D24-V28 PolarHBondContact O-N 3.31Å
25Y59.9Low64.8Low132 Ų13282.5 Ų82.552%0.51839%0.387SS..Hα-helixtrans-62.6-42176-174.4-88.1000112.5K21 G22 L23 V28 H29K21-Y25 WeakPolarHBondContact O-CB 3.4Å; K21-Y25 PolarHBondContact O-N 2.63Å; G22-Y25 PolarHBondContact O-N 2.85Å; L23-Y25 PolarHBondContact O-N 2.84Å; Y25-V28 PolarHBondContact O-N 2.88Å; Y25-H29 AromaticContact CD2-CD2 3.35Å; Y25-H29 WeakPolarHBondContact CD2-CD2 3.34Å; Y25-H29 AromaticContact CD2-NE2 3.78Å; Y25-H29 HydrophobicContact CE1-CB 4.45Å; Y25-H29 AromaticContact CE1-CD2 3.85Å; Y25-H29 AromaticContact CE2-CD2 3.13Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.43Å; Y25-H29 AromaticContact CE2-NE2 3.49Å; Y25-H29 WeakPolarHBondContact CE2-NE2 3.3Å; Y25-H29 AromaticContact CG-CD2 3.8Å; Y25-H29 AromaticContact CZ-CD2 3.38Å; Y25-H29 WeakPolarHBondContact O-CB 3.3Å; Y25-H29 PolarHBondContact O-N 3.44Å
26V59Low65.8Low56 Ų5678.1 Ų78.134%0.33936%0.364SS..Hα-helixtrans-70.7-39.9176.81700000111.2G22 L23 D24 V28 Q30 R31G22-V26 WeakPolarHBondContact O-CB 3.34Å; G22-V26 VanDerWaalsContact O-CG2 3.22Å; G22-V26 WeakPolarHBondContact O-CG2 3.22Å; G22-V26 PolarHBondContact O-N 3.06Å; L23-V26 PolarHBondContact O-N 3.45Å; D24-V26 PolarHBondContact O-N 3.41Å; V26-V28 VanDerWaalsContact C-N 3.31Å; V26-V28 PolarHBondContact O-N 3.45Å; V26-Q30 HydrophobicContact CG1-CB 4.08Å; V26-Q30 CarbonylContact O-C 3.01Å; V26-Q30 WeakPolarHBondContact O-CA 3.45Å; V26-Q30 VanDerWaalsContact O-CB 3.32Å; V26-Q30 WeakPolarHBondContact O-CB 3.42Å; V26-Q30 PolarHBondContact O-N 3.46Å; V26-R31 PolarHBondContact O-N 2.88Å
27I60.5Low66.9Low43 Ų4378.8 Ų78.822%0.22137%0.368CS..Hα-helixtrans-67.4-34176.4-65.7169.1000110.7L23 D24 R31 I374L23-I27 HydrophobicContact CD2-CD1 3.98Å; L23-I27 HydrophobicContact CG-CD1 3.73Å; L23-I27 HydrophobicContact CG-CG1 4.41Å; L23-I27 WeakPolarHBondContact O-CB 3.19Å; L23-I27 WeakPolarHBondContact O-CG1 3.5Å; L23-I27 PolarHBondContact O-N 3.06Å; D24-I27 PolarHBondContact O-N 3.3Å; I27-R31 WeakPolarHBondContact O-CA 3.24Å; I27-R31 VanDerWaalsContact O-CB 3.24Å; I27-R31 WeakPolarHBondContact O-CB 3.4Å; I27-I374 HydrophobicContact CG2-CD1 3.5Å; I27-I374 VanDerWaalsContact CG2-CD1 3.5Å
28V60.1Low68Low52 Ų5279.2 Ų79.232%0.31537%0.373SS..Hα-helixtrans-79.8-46.6178.9173.80000112.3D24 Y25 V26 I374D24-V28 VanDerWaalsContact O-CB 3.24Å; D24-V28 WeakPolarHBondContact O-CB 3.32Å; D24-V28 WeakPolarHBondContact O-CG2 3.27Å; D24-V28 PolarHBondContact O-N 3.31Å; Y25-V28 PolarHBondContact O-N 2.88Å; V26-V28 VanDerWaalsContact C-N 3.31Å; V26-V28 PolarHBondContact O-N 3.45Å; V28-I374 HydrophobicContact CG2-CD1 4.02Å; V28-I374 HydrophobicContact CG2-CG1 3.7Å
29H63.2Low69.3Low110 Ų11076.6 Ų76.651%0.50936%0.36SS..Hα-helixtrans-102.4-19.3-173.2-62.9-51.4000115.2Y25Y25-H29 AromaticContact CD2-CD2 3.35Å; Y25-H29 WeakPolarHBondContact CD2-CD2 3.34Å; Y25-H29 AromaticContact CD2-NE2 3.78Å; Y25-H29 HydrophobicContact CE1-CB 4.45Å; Y25-H29 AromaticContact CE1-CD2 3.85Å; Y25-H29 AromaticContact CE2-CD2 3.13Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.43Å; Y25-H29 AromaticContact CE2-NE2 3.49Å; Y25-H29 WeakPolarHBondContact CE2-NE2 3.3Å; Y25-H29 AromaticContact CG-CD2 3.8Å; Y25-H29 AromaticContact CZ-CD2 3.38Å; Y25-H29 WeakPolarHBondContact O-CB 3.3Å; Y25-H29 PolarHBondContact O-N 3.44Å
30Q71.9Confident70.9Confident77 Ų7766.1 Ų66.136%0.3632%0.32SS..SBendtrans-122.233.4177.7-59-68-17.900110.2V26 W32 I33V26-Q30 HydrophobicContact CG1-CB 4.08Å; V26-Q30 CarbonylContact O-C 3.01Å; V26-Q30 WeakPolarHBondContact O-CA 3.45Å; V26-Q30 VanDerWaalsContact O-CB 3.32Å; V26-Q30 WeakPolarHBondContact O-CB 3.42Å; V26-Q30 PolarHBondContact O-N 3.46Å; Q30-W32 PolarHBondContact O-N 3.22Å; Q30-I33 HydrophobicContact CB-CD1 3.77Å; Q30-I33 HydrophobicContact CB-CG1 4.11Å; Q30-I33 HydrophobicContact CG-CD1 4.32Å; Q30-I33 WeakPolarHBondContact O-CB 3.16Å; Q30-I33 PolarHBondContact O-N 3.06Å
31R75.8Confident72.6Confident20 Ų2063.5 Ų63.58%0.07531%0.305CS..Hα-helixtrans-49.8-36.2-178.8-167177-179.5-176.94.9112.6V26 I27 I33 F34 V35 Q370 Y378V26-R31 PolarHBondContact O-N 2.88Å; I27-R31 WeakPolarHBondContact O-CA 3.24Å; I27-R31 VanDerWaalsContact O-CB 3.24Å; I27-R31 WeakPolarHBondContact O-CB 3.4Å; R31-I33 PolarHBondContact O-N 3.21Å; R31-F34 PolarHBondContact O-N 3.5Å; R31-V35 HydrophobicContact CG-CG2 4.21Å; R31-V35 WeakPolarHBondContact O-CG2 3.44Å; R31-V35 PolarHBondContact O-N 3.33Å; R31-Q370 VanDerWaalsContact NH2-CG 3.31Å; R31-Y378 PolarHBondContact NH1-OH 3.34Å
32W80.5Confident74.2Confident87 Ų8760.7 Ų60.733%0.3330%0.297SS..Hα-helixtrans-57-33.917770.7-96000112.9Q30 V35 C36 I343 F345Q30-W32 PolarHBondContact O-N 3.22Å; W32-V35 PolarHBondContact O-N 3.03Å; W32-C36 VanDerWaalsContact O-CB 3.26Å; W32-C36 WeakPolarHBondContact O-CB 3.24Å; W32-C36 PolarHBondContact O-N 3.41Å; W32-C36 PolarHBondContact O-SG 2.84Å; W32-I343 HydrophobicContact CB-CG1 4.43Å; W32-F345 HydrophobicContact CB-CE1 4.25Å; W32-F345 HydrophobicContact CB-CZ 4.13Å; W32-F345 AromaticContact CD2-CE1 3.7Å; W32-F345 HydrophobicContact CD2-CE1 3.7Å; W32-F345 AromaticContact CD2-CZ 3.49Å; W32-F345 HydrophobicContact CD2-CZ 3.49Å; W32-F345 VanDerWaalsContact CD2-CZ 3.49Å; W32-F345 HydrophobicContact CE3-CE1 4.1Å; W32-F345 HydrophobicContact CE3-CE2 4.42Å; W32-F345 AromaticContact CE3-CZ 3.42Å; W32-F345 HydrophobicContact CE3-CZ 3.42Å; W32-F345 VanDerWaalsContact CE3-CZ 3.42Å; W32-F345 AromaticContact CG-CE1 3.78Å; W32-F345 HydrophobicContact CG-CE1 3.78Å; W32-F345 AromaticContact CG-CZ 3.84Å; W32-F345 HydrophobicContact CG-CZ 3.84Å; W32-F345 AromaticContact CZ3-CZ 3.96Å; W32-F345 HydrophobicContact CZ3-CZ 3.96Å
33I82.4Confident75.7Confident57 Ų5760.7 Ų60.729%0.29230%0.296SS..Hα-helixtrans-62.4-51.3179-62.4-179.9000109.2Q30 R31 V35 C36 L37Q30-I33 HydrophobicContact CB-CD1 3.77Å; Q30-I33 HydrophobicContact CB-CG1 4.11Å; Q30-I33 HydrophobicContact CG-CD1 4.32Å; Q30-I33 WeakPolarHBondContact O-CB 3.16Å; Q30-I33 PolarHBondContact O-N 3.06Å; R31-I33 PolarHBondContact O-N 3.21Å; I33-V35 VanDerWaalsContact C-N 3.33Å; I33-V35 PolarHBondContact O-N 3.03Å; I33-C36 PolarHBondContact O-N 3.46Å; I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.44Å; I33-L37 WeakPolarHBondContact O-CB 3.37Å; I33-L37 WeakPolarHBondContact O-CG 3.47Å; I33-L37 PolarHBondContact O-N 2.97Å
34F80.9Confident77.2Confident69 Ų6957.6 Ų57.630%0.30328%0.282SS..Hα-helixtrans-62.2-43.5178.7175.5-92.9000111.3R31 F38 L39 T369R31-F34 PolarHBondContact O-N 3.5Å; F34-F38 HydrophobicContact CD2-CB 4.32Å; F34-F38 AromaticContact CD2-CD2 3.88Å; F34-F38 HydrophobicContact CD2-CD2 3.88Å; F34-F38 HydrophobicContact CD2-CG 4.33Å; F34-F38 HydrophobicContact CE2-CB 4.1Å; F34-F38 HydrophobicContact CE2-CD2 4.34Å; F34-F38 HydrophobicContact CE2-CG 4.33Å; F34-F38 HydrophobicContact CZ-CB 4.43Å; F34-F38 WeakPolarHBondContact O-CB 3.38Å; F34-F38 PolarHBondContact O-N 2.89Å; F34-L39 HydrophobicContact CE1-CB 4.45Å; F34-L39 PolarHBondContact O-N 2.87Å; F34-T369 HydrophobicContact CE1-CG2 3.48Å; F34-T369 VanDerWaalsContact CE1-CG2 3.48Å; F34-T369 HydrophobicContact CZ-CG2 3.6Å
35V83.5Confident78.9Confident0 Ų058 Ų580%028%0.283CS..Iπ-helixtrans-62-47.2178.6171.90000111.1R31 W32 I33 L39 L40 I342 I343 P361 L366R31-V35 HydrophobicContact CG-CG2 4.21Å; R31-V35 WeakPolarHBondContact O-CG2 3.44Å; R31-V35 PolarHBondContact O-N 3.33Å; W32-V35 PolarHBondContact O-N 3.03Å; I33-V35 VanDerWaalsContact C-N 3.33Å; I33-V35 PolarHBondContact O-N 3.03Å; V35-L39 HydrophobicContact CB-CB 4.41Å; V35-L39 HydrophobicContact CB-CD2 4.49Å; V35-L39 HydrophobicContact CG1-CB 4.37Å; V35-L39 HydrophobicContact CG1-CD2 4.21Å; V35-L39 HydrophobicContact CG2-CD2 3.99Å; V35-L39 WeakPolarHBondContact O-CB 3.35Å; V35-L39 PolarHBondContact O-N 2.83Å; V35-L40 HydrophobicContact CG1-CG 4.26Å; V35-L40 WeakPolarHBondContact O-CG 3.38Å; V35-L40 PolarHBondContact O-N 2.75Å; V35-I342 HydrophobicContact CB-CG2 4.46Å; V35-I342 HydrophobicContact CG1-CG2 4.39Å; V35-I342 HydrophobicContact CG2-CG2 3.84Å; V35-I343 HydrophobicContact CG1-CD1 3.84Å; V35-I343 HydrophobicContact CG1-CG1 4.33Å; V35-P361 HydrophobicContact CG1-CB 4.48Å; V35-L366 HydrophobicContact CG2-CD1 4.2Å
36C85.4Confident80.1Confident4 Ų454 Ų543%0.02727%0.268CS..Iπ-helixtrans-70.7-41.3-175.9-64.60000113.1W32 I33 P41 F355W32-C36 VanDerWaalsContact O-CB 3.26Å; W32-C36 WeakPolarHBondContact O-CB 3.24Å; W32-C36 PolarHBondContact O-N 3.41Å; W32-C36 PolarHBondContact O-SG 2.84Å; I33-C36 PolarHBondContact O-N 3.46Å; C36-P41 WeakPolarHBondContact O-CD 3.34Å; C36-F355 HydrophobicContact CB-CD1 4.44Å; C36-F355 HydrophobicContact CB-CE1 4.45Å
37L85.6Confident81.4Confident100 Ų10054.4 Ų54.452%0.52427%0.268SS..Iπ-helixtrans-88.3-23.9-172.9-61.5-178.1000113.7I33I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.44Å; I33-L37 WeakPolarHBondContact O-CB 3.37Å; I33-L37 WeakPolarHBondContact O-CG 3.47Å; I33-L37 PolarHBondContact O-N 2.97Å
38F85.1Confident82.7Confident125 Ų12556.4 Ų56.455%0.54828%0.282SS..Iπ-helixtrans-124.3-51.6-175.4-58-86.3000112.6F34 L42F34-F38 HydrophobicContact CD2-CB 4.32Å; F34-F38 AromaticContact CD2-CD2 3.88Å; F34-F38 HydrophobicContact CD2-CD2 3.88Å; F34-F38 HydrophobicContact CD2-CG 4.33Å; F34-F38 HydrophobicContact CE2-CB 4.1Å; F34-F38 HydrophobicContact CE2-CD2 4.34Å; F34-F38 HydrophobicContact CE2-CG 4.33Å; F34-F38 HydrophobicContact CZ-CB 4.43Å; F34-F38 WeakPolarHBondContact O-CB 3.38Å; F34-F38 PolarHBondContact O-N 2.89Å; F38-L42 VanDerWaalsContact O-CB 3.25Å; F38-L42 WeakPolarHBondContact O-CB 3.29Å; F38-L42 PolarHBondContact O-N 3.16Å
39L86Confident84Confident3 Ų360.7 Ų60.72%0.01629%0.294CS..Iπ-helixtrans-69.3-43.9-172.3-167.266.2000112.8F34 V35 L42 S43 P361 L365 L366F34-L39 HydrophobicContact CE1-CB 4.45Å; F34-L39 PolarHBondContact O-N 2.87Å; V35-L39 HydrophobicContact CB-CB 4.41Å; V35-L39 HydrophobicContact CB-CD2 4.49Å; V35-L39 HydrophobicContact CG1-CB 4.37Å; V35-L39 HydrophobicContact CG1-CD2 4.21Å; V35-L39 HydrophobicContact CG2-CD2 3.99Å; V35-L39 WeakPolarHBondContact O-CB 3.35Å; V35-L39 PolarHBondContact O-N 2.83Å; L39-L42 PolarHBondContact O-N 2.83Å; L39-S43 VanDerWaalsContact O-CB 3.31Å; L39-S43 WeakPolarHBondContact O-CB 3.44Å; L39-S43 PolarHBondContact O-N 3.41Å; L39-S43 PolarHBondContact O-OG 3.35Å; L39-P361 HydrophobicContact CD2-CB 3.81Å; L39-P361 HydrophobicContact CG-CB 4.14Å; L39-L365 HydrophobicContact CD1-CB 3.37Å; L39-L365 HydrophobicContact CD1-CD1 4.45Å; L39-L365 HydrophobicContact CG-CB 4.48Å; L39-L366 HydrophobicContact CD2-CB 3.95Å; L39-L366 HydrophobicContact CD2-CD1 3.53Å; L39-L366 HydrophobicContact CD2-CG 4.36Å
40L89.3Confident84.9Confident0 Ų058.7 Ų58.70%028%0.282CS..Hα-helixtrans-62.9-52.2178.6-72.7-177.3000111.3V35 L42 S43 V44 F351 M358 V359 P361V35-L40 HydrophobicContact CG1-CG 4.26Å; V35-L40 WeakPolarHBondContact O-CG 3.38Å; V35-L40 PolarHBondContact O-N 2.75Å; L40-L42 VanDerWaalsContact C-N 3.33Å; L40-L42 PolarHBondContact O-N 3.17Å; L40-S43 WeakPolarHBondContact O-CB 3.24Å; L40-S43 PolarHBondContact O-N 3.17Å; L40-S43 VanDerWaalsContact O-N 3.14Å; L40-V44 PolarHBondContact O-N 3.39Å; L40-F351 HydrophobicContact CD1-CZ 4.36Å; L40-M358 HydrophobicContact CB-CB 3.83Å; L40-M358 HydrophobicContact CB-CE 4.25Å; L40-M358 HydrophobicContact CB-SD 4.32Å; L40-M358 HydrophobicContact CD1-CB 4.42Å; L40-M358 HydrophobicContact CD2-CB 4.49Å; L40-M358 WeakPolarHBondContact CD2-O 3.38Å; L40-M358 HydrophobicContact CG-CB 4.47Å; L40-V359 HydrophobicContact CD1-CG2 4.13Å; L40-V359 HydrophobicContact CD2-CG2 3.99Å; L40-P361 HydrophobicContact CD2-CB 3.8Å; L40-P361 HydrophobicContact CD2-CG 4.22Å
41P91.3Very high85.4Confident47 Ų4763.1 Ų63.131%0.30530%0.297SS..Hα-helixtrans-56.8-42.8174-27.835.3000113.7C36 S43 V44 I45 M358C36-P41 WeakPolarHBondContact O-CD 3.34Å; P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 2.75Å; P41-V44 PolarHBondContact O-N 2.83Å; P41-I45 WeakPolarHBondContact O-CG1 3.37Å; P41-I45 PolarHBondContact O-N 3.19Å; P41-I45 VanDerWaalsContact O-N 3.07Å; P41-M358 HydrophobicContact CG-SD 4.07Å
42L88.2Confident85.8Confident89 Ų8965.4 Ų65.447%0.46631%0.313SS..Hα-helixtrans-65.2-36.2178.3-174.562.9000112.1F38 L39 L40 V44 I45 F46 L365F38-L42 VanDerWaalsContact O-CB 3.25Å; F38-L42 WeakPolarHBondContact O-CB 3.29Å; F38-L42 PolarHBondContact O-N 3.16Å; L39-L42 PolarHBondContact O-N 2.83Å; L40-L42 VanDerWaalsContact C-N 3.33Å; L40-L42 PolarHBondContact O-N 3.17Å; L42-V44 VanDerWaalsContact C-N 3.35Å; L42-I45 PolarHBondContact O-N 2.9Å; L42-F46 WeakPolarHBondContact O-CB 3.4Å; L42-F46 PolarHBondContact O-N 2.89Å; L42-L365 HydrophobicContact CB-CD1 4.32Å; L42-L365 HydrophobicContact CD2-CD1 4Å; L42-L365 HydrophobicContact CD2-CD2 4.45Å; L42-L365 HydrophobicContact CG-CD1 3.83Å
43S88.4Confident86Confident1 Ų163.3 Ų63.31%0.00731%0.305CS..Hα-helixtrans-61.9-43174.9-61.50000111.2L39 L40 P41 F46 D47 K362L39-S43 VanDerWaalsContact O-CB 3.31Å; L39-S43 WeakPolarHBondContact O-CB 3.44Å; L39-S43 PolarHBondContact O-N 3.41Å; L39-S43 PolarHBondContact O-OG 3.35Å; L40-S43 WeakPolarHBondContact O-CB 3.24Å; L40-S43 PolarHBondContact O-N 3.17Å; L40-S43 VanDerWaalsContact O-N 3.14Å; P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 2.75Å; S43-F46 WeakPolarHBondContact O-CB 3.28Å; S43-F46 PolarHBondContact O-N 2.92Å; S43-D47 PolarHBondContact O-N 2.84Å; S43-K362 PolarHBondContact OG-N 3.12Å
44V89.3Confident85.7Confident35 Ų3561.9 Ų61.921%0.21230%0.301CS..Hα-helixtrans-61.3-46.1174.8174.20000111.4L40 P41 L42 F46 D47 V48 W357 M358L40-V44 PolarHBondContact O-N 3.39Å; P41-V44 PolarHBondContact O-N 2.83Å; L42-V44 VanDerWaalsContact C-N 3.35Å; V44-F46 VanDerWaalsContact C-N 3.27Å; V44-F46 PolarHBondContact O-N 3.07Å; V44-D47 PolarHBondContact O-N 2.88Å; V44-V48 HydrophobicContact CG1-CG2 4.38Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.23Å; V44-V48 PolarHBondContact O-N 2.98Å; V44-W357 HydrophobicContact CG1-CZ3 4.2Å; V44-W357 HydrophobicContact CG2-CZ3 4.15Å; V44-M358 HydrophobicContact CG2-CB 3.76Å; V44-M358 HydrophobicContact CG2-CG 3.78Å; V44-M358 HydrophobicContact CG2-SD 4.46Å
45I89.7Confident85.6Confident112 Ų11264.9 Ų64.957%0.57431%0.311SS*.Hα-helixtrans-59.6-42.9177.4-66.3167.3000110.4P41 L42 V48 Y49P41-I45 WeakPolarHBondContact O-CG1 3.37Å; P41-I45 PolarHBondContact O-N 3.19Å; P41-I45 VanDerWaalsContact O-N 3.07Å; L42-I45 PolarHBondContact O-N 2.9Å; I45-V48 PolarHBondContact O-N 3.01Å; I45-Y49 PolarHBondContact O-N 2.96Å
46F85.8Confident85.4Confident48 Ų4868.8 Ų68.821%0.21133%0.331CS..Hα-helixtrans-60.6-47.6176.7-168.6-87.3000111.2L42 S43 V44 V48 Y49 Y50 L98 K362L42-F46 WeakPolarHBondContact O-CB 3.4Å; L42-F46 PolarHBondContact O-N 2.89Å; S43-F46 WeakPolarHBondContact O-CB 3.28Å; S43-F46 PolarHBondContact O-N 2.92Å; V44-F46 VanDerWaalsContact C-N 3.27Å; V44-F46 PolarHBondContact O-N 3.07Å; F46-V48 PolarHBondContact O-N 3.18Å; F46-Y49 PolarHBondContact O-N 3.21Å; F46-Y50 AromaticContact CD1-CD2 3.7Å; F46-Y50 HydrophobicContact CD1-CD2 3.7Å; F46-Y50 AromaticContact CD1-CE2 3.81Å; F46-Y50 HydrophobicContact CD1-CE2 3.81Å; F46-Y50 HydrophobicContact CD2-CE2 4.06Å; F46-Y50 AromaticContact CE1-CD2 3.48Å; F46-Y50 HydrophobicContact CE1-CD2 3.48Å; F46-Y50 VanDerWaalsContact CE1-CD2 3.48Å; F46-Y50 AromaticContact CE1-CE2 3.23Å; F46-Y50 HydrophobicContact CE1-CE2 3.23Å; F46-Y50 HydrophobicContact CE1-CG 4.36Å; F46-Y50 AromaticContact CE1-CZ 3.9Å; F46-Y50 HydrophobicContact CE2-CD2 4.34Å; F46-Y50 AromaticContact CE2-CE2 3.52Å; F46-Y50 HydrophobicContact CE2-CE2 3.52Å; F46-Y50 HydrophobicContact CG-CD2 4.23Å; F46-Y50 HydrophobicContact CG-CE2 4.2Å; F46-Y50 AromaticContact CZ-CD2 3.85Å; F46-Y50 HydrophobicContact CZ-CD2 3.85Å; F46-Y50 AromaticContact CZ-CE2 3.08Å; F46-Y50 HydrophobicContact CZ-CE2 3.08Å; F46-Y50 AromaticContact CZ-CZ 3.58Å; F46-Y50 WeakPolarHBondContact O-CD2 3.33Å; F46-Y50 PolarHBondContact O-N 2.83Å; F46-Y50 VanDerWaalsContact O-N 3.07Å; F46-L98 HydrophobicContact CZ-CD2 4.09Å; F46-K362 HydrophobicContact CD1-CG 4.23Å
47D85.8Confident84.9Confident64 Ų6469.6 Ų69.634%0.34234%0.335SS..Hα-helixtrans-60.4-45.7177-83.2-38.4000113.1S43 V44 Y49 Y50 Y51 K362S43-D47 PolarHBondContact O-N 2.84Å; V44-D47 PolarHBondContact O-N 2.88Å; D47-Y49 VanDerWaalsContact C-N 3.31Å; D47-Y49 PolarHBondContact O-N 3.47Å; D47-Y50 PolarHBondContact O-N 2.96Å; D47-Y51 VanDerWaalsContact O-CB 3.27Å; D47-Y51 WeakPolarHBondContact O-CB 3.3Å; D47-Y51 PolarHBondContact O-N 2.98Å; D47-K362 WeakPolarHBondContact OD1-CE 3.13Å; D47-K362 IonicContact OD1-NZ 3.48Å; D47-K362 PolarHBondContact OD1-NZ 3.1Å; D47-K362 WeakPolarHBondContact OD2-CE 3.13Å; D47-K362 IonicContact OD2-NZ 2.8Å; D47-K362 PolarHBondContact OD2-NZ 2.92Å
48V88.1Confident84.2Confident84 Ų8470.9 Ų70.951%0.50934%0.337SS..Hα-helixtrans-58.8-44.7177.1171.50000110.5V44 I45 F46 Y51 V52V44-V48 HydrophobicContact CG1-CG2 4.38Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.23Å; V44-V48 PolarHBondContact O-N 2.98Å; I45-V48 PolarHBondContact O-N 3.01Å; F46-V48 PolarHBondContact O-N 3.18Å; V48-Y51 PolarHBondContact O-N 3.33Å; V48-V52 HydrophobicContact CG1-CG2 4.28Å; V48-V52 WeakPolarHBondContact O-CB 3.22Å; V48-V52 VanDerWaalsContact O-CG2 3.25Å; V48-V52 WeakPolarHBondContact O-CG2 3.22Å; V48-V52 PolarHBondContact O-N 3.35Å
49Y87.8Confident83.5Confident143 Ų14371.4 Ų71.456%0.56134%0.339SS*.Hα-helixtrans-59.6-49.4177.5170.5-97.3000112.3I45 F46 D47 V52 R53I45-Y49 PolarHBondContact O-N 2.96Å; F46-Y49 PolarHBondContact O-N 3.21Å; D47-Y49 VanDerWaalsContact C-N 3.31Å; D47-Y49 PolarHBondContact O-N 3.47Å; Y49-V52 PolarHBondContact O-N 3.05Å; Y49-R53 WeakPolarHBondContact O-CB 3.43Å; Y49-R53 PolarHBondContact O-N 3.38Å
50Y82Confident83Confident67 Ų6777.2 Ų77.226%0.26337%0.367SS..Hα-helixtrans-66.8-37.9-179.5-85.8-99.7000112.1F46 D47 R53 A54 M119F46-Y50 AromaticContact CD1-CD2 3.7Å; F46-Y50 HydrophobicContact CD1-CD2 3.7Å; F46-Y50 AromaticContact CD1-CE2 3.81Å; F46-Y50 HydrophobicContact CD1-CE2 3.81Å; F46-Y50 HydrophobicContact CD2-CE2 4.06Å; F46-Y50 AromaticContact CE1-CD2 3.48Å; F46-Y50 HydrophobicContact CE1-CD2 3.48Å; F46-Y50 VanDerWaalsContact CE1-CD2 3.48Å; F46-Y50 AromaticContact CE1-CE2 3.23Å; F46-Y50 HydrophobicContact CE1-CE2 3.23Å; F46-Y50 HydrophobicContact CE1-CG 4.36Å; F46-Y50 AromaticContact CE1-CZ 3.9Å; F46-Y50 HydrophobicContact CE2-CD2 4.34Å; F46-Y50 AromaticContact CE2-CE2 3.52Å; F46-Y50 HydrophobicContact CE2-CE2 3.52Å; F46-Y50 HydrophobicContact CG-CD2 4.23Å; F46-Y50 HydrophobicContact CG-CE2 4.2Å; F46-Y50 AromaticContact CZ-CD2 3.85Å; F46-Y50 HydrophobicContact CZ-CD2 3.85Å; F46-Y50 AromaticContact CZ-CE2 3.08Å; F46-Y50 HydrophobicContact CZ-CE2 3.08Å; F46-Y50 AromaticContact CZ-CZ 3.58Å; F46-Y50 WeakPolarHBondContact O-CD2 3.33Å; F46-Y50 PolarHBondContact O-N 2.83Å; F46-Y50 VanDerWaalsContact O-N 3.07Å; D47-Y50 PolarHBondContact O-N 2.96Å; Y50-R53 PolarHBondContact O-N 3.4Å; Y50-A54 WeakPolarHBondContact O-CB 3.44Å; Y50-A54 PolarHBondContact O-N 3.11Å; Y50-M119 HydrophobicContact CE1-CE 3.91Å
51Y82.5Confident82Confident170 Ų17082.1 Ų82.167%0.66740%0.401SS*.Hα-helixtrans-62.7-50.7175.7179.1-95.7000111.6D47 V48 R53 A54 W55D47-Y51 VanDerWaalsContact O-CB 3.27Å; D47-Y51 WeakPolarHBondContact O-CB 3.3Å; D47-Y51 PolarHBondContact O-N 2.98Å; V48-Y51 PolarHBondContact O-N 3.33Å; Y51-R53 VanDerWaalsContact C-N 3.31Å; Y51-R53 PolarHBondContact O-N 3.15Å; Y51-A54 PolarHBondContact O-N 2.88Å; Y51-W55 WeakPolarHBondContact O-CB 3.34Å; Y51-W55 PolarHBondContact O-N 3Å
52V84.8Confident80.8Confident69 Ų6981.2 Ų81.242%0.41840%0.395SS..Hα-helixtrans-60.5-42.6177.9171.80000110.6V48 Y49 W55 L56V48-V52 HydrophobicContact CG1-CG2 4.28Å; V48-V52 WeakPolarHBondContact O-CB 3.22Å; V48-V52 VanDerWaalsContact O-CG2 3.25Å; V48-V52 WeakPolarHBondContact O-CG2 3.22Å; V48-V52 PolarHBondContact O-N 3.35Å; Y49-V52 PolarHBondContact O-N 3.05Å; V52-W55 PolarHBondContact O-N 3.36Å; V52-L56 HydrophobicContact CG1-CD1 4.03Å; V52-L56 HydrophobicContact CG1-CG 4.45Å; V52-L56 VanDerWaalsContact O-CG 3.31Å; V52-L56 WeakPolarHBondContact O-CG 3.42Å; V52-L56 PolarHBondContact O-N 3.12Å
53R84.3Confident80.1Confident43 Ų4377.4 Ų77.416%0.16238%0.377CS..Hα-helixtrans-60-49.7176-168.2-162.474.2-124.9-10.7111.8Y49 Y50 Y51 W55 L56 I57 M119Y49-R53 WeakPolarHBondContact O-CB 3.43Å; Y49-R53 PolarHBondContact O-N 3.38Å; Y50-R53 PolarHBondContact O-N 3.4Å; Y51-R53 VanDerWaalsContact C-N 3.31Å; Y51-R53 PolarHBondContact O-N 3.15Å; R53-W55 VanDerWaalsContact C-N 3.32Å; R53-W55 PolarHBondContact O-N 2.89Å; R53-L56 PolarHBondContact O-N 2.81Å; R53-I57 HydrophobicContact CG-CD1 3.89Å; R53-I57 HydrophobicContact CG-CG1 4.49Å; R53-I57 WeakPolarHBondContact O-CG1 3.19Å; R53-I57 PolarHBondContact O-N 2.84Å; R53-M119 VanDerWaalsContact NH2-CG 3.26Å; R53-M119 PolarHBondContact NH2-SD 3.22Å
54A75.5Confident79.4Confident26 Ų2680.3 Ų80.322%0.21540%0.396CS..Hα-helixtrans-61.2-43-179.500000111.4Y50 Y51 L56 I57 F58Y50-A54 WeakPolarHBondContact O-CB 3.44Å; Y50-A54 PolarHBondContact O-N 3.11Å; Y51-A54 PolarHBondContact O-N 2.88Å; A54-L56 PolarHBondContact O-N 3.15Å; A54-I57 PolarHBondContact O-N 2.86Å; A54-F58 WeakPolarHBondContact O-CB 3.3Å; A54-F58 PolarHBondContact O-N 2.85Å
55W78.7Confident78.6Confident133 Ų13387 Ų8750%0.50442%0.422SS..Hα-helixtrans-60.3-44.9176-179.886.1000112.3Y51 V52 R53 K59Y51-W55 WeakPolarHBondContact O-CB 3.34Å; Y51-W55 PolarHBondContact O-N 3Å; V52-W55 PolarHBondContact O-N 3.36Å; R53-W55 VanDerWaalsContact C-N 3.32Å; R53-W55 PolarHBondContact O-N 2.89Å; W55-K59 HydrophobicContact CD2-CG 4.27Å; W55-K59 HydrophobicContact CZ2-CG 4.14Å; W55-K59 WeakPolarHBondContact O-CB 3.38Å; W55-K59 WeakPolarHBondContact O-CG 3.43Å; W55-K59 PolarHBondContact O-N 2.93Å
56L80Confident78.5Confident81 Ų8184.4 Ų84.442%0.42441%0.409SS..Hα-helixtrans-62-49.9176.5-73.4170.9000111.9V52 R53 A54 F58 K59 M60V52-L56 HydrophobicContact CG1-CD1 4.03Å; V52-L56 HydrophobicContact CG1-CG 4.45Å; V52-L56 VanDerWaalsContact O-CG 3.31Å; V52-L56 WeakPolarHBondContact O-CG 3.42Å; V52-L56 PolarHBondContact O-N 3.12Å; R53-L56 PolarHBondContact O-N 2.81Å; A54-L56 PolarHBondContact O-N 3.15Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 3.21Å; L56-K59 PolarHBondContact O-N 3.44Å; L56-M60 HydrophobicContact CB-CE 4.46Å; L56-M60 VanDerWaalsContact O-CG 3.3Å; L56-M60 WeakPolarHBondContact O-CG 3.36Å; L56-M60 PolarHBondContact O-N 2.72Å
57I74.4Confident78.8Confident22 Ų2282.2 Ų82.211%0.11340%0.399CS..Hα-helixtrans-59.7-44.6-179.4-69.2170.7000110.8R53 A54 M60 C61 A63R53-I57 HydrophobicContact CG-CD1 3.89Å; R53-I57 HydrophobicContact CG-CG1 4.49Å; R53-I57 WeakPolarHBondContact O-CG1 3.19Å; R53-I57 PolarHBondContact O-N 2.84Å; A54-I57 PolarHBondContact O-N 2.86Å; I57-M60 PolarHBondContact O-N 2.85Å; I57-C61 PolarHBondContact O-N 3.36Å; I57-A63 HydrophobicContact CG2-CB 4.17Å
58F70.6Confident79.2Confident126 Ų12683.2 Ų83.255%0.55341%0.405SS*.Hα-helixtrans-61.7-47.3177.9-176-96.5000111.5A54 L56 M60 C61 L145A54-F58 WeakPolarHBondContact O-CB 3.3Å; A54-F58 PolarHBondContact O-N 2.85Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 3.21Å; F58-M60 VanDerWaalsContact C-N 3.27Å; F58-M60 PolarHBondContact O-N 2.85Å; F58-C61 PolarHBondContact O-N 3.37Å; F58-C61 VanDerWaalsContact O-N 3.08Å; F58-L145 HydrophobicContact CE2-CD1 3.97Å; F58-L145 HydrophobicContact CZ-CD1 4.05Å
59K72.1Confident79.4Confident136 Ų13684.8 Ų84.859%0.59141%0.406SS*.Hα-helixtrans-62.2-33178.4-77-71.6-178.2-177.10113.2W55 L56 C61W55-K59 HydrophobicContact CD2-CG 4.27Å; W55-K59 HydrophobicContact CZ2-CG 4.14Å; W55-K59 WeakPolarHBondContact O-CB 3.38Å; W55-K59 WeakPolarHBondContact O-CG 3.43Å; W55-K59 PolarHBondContact O-N 2.93Å; L56-K59 PolarHBondContact O-N 3.44Å; K59-C61 VanDerWaalsContact C-N 3.27Å; K59-C61 PolarHBondContact O-N 3.32Å
60M75.1Confident79.7Confident125 Ų12580.5 Ų80.562%0.61639%0.389SS*.THydrogen-bonded Turntrans-78.3-6.6177.6-67.5-175.3-59.400113.8L56 I57 F58 S62L56-M60 HydrophobicContact CB-CE 4.46Å; L56-M60 VanDerWaalsContact O-CG 3.3Å; L56-M60 WeakPolarHBondContact O-CG 3.36Å; L56-M60 PolarHBondContact O-N 2.72Å; I57-M60 PolarHBondContact O-N 2.85Å; F58-M60 VanDerWaalsContact C-N 3.27Å; F58-M60 PolarHBondContact O-N 2.85Å; M60-S62 PolarHBondContact O-N 2.69Å
61C67.1Low80.4Confident104 Ų10477.5 Ų77.570%0.70338%0.378SS*.THydrogen-bonded Turntrans50.626-175.7-64.40000113.8I57 F58 K59I57-C61 PolarHBondContact O-N 3.36Å; F58-C61 PolarHBondContact O-N 3.37Å; F58-C61 VanDerWaalsContact O-N 3.08Å; K59-C61 VanDerWaalsContact C-N 3.27Å; K59-C61 PolarHBondContact O-N 3.32Å
62S66.4Low81.1Confident27 Ų2776.2 Ų76.219%0.18937%0.372CS..  trans-87.4-11.7-172.858.40000113.1M60 K65 L66M60-S62 PolarHBondContact O-N 2.69Å; S62-K65 PolarHBondContact O-N 3.02Å; S62-L66 WeakPolarHBondContact O-CB 3.33Å; S62-L66 VanDerWaalsContact O-CG 3.23Å; S62-L66 WeakPolarHBondContact O-CG 3.4Å; S62-L66 PolarHBondContact O-N 2.95Å
63A73.6Confident81.7Confident9 Ų975.5 Ų75.57%0.07437%0.366CS..Hα-helixtrans-56.5-49.2-172.500000113.7I57 K65 L66 H67 D120I57-A63 HydrophobicContact CG2-CB 4.17Å; A63-K65 PolarHBondContact O-N 3.48Å; A63-L66 PolarHBondContact O-N 2.88Å; A63-H67 WeakPolarHBondContact O-CB 3.35Å; A63-H67 PolarHBondContact O-N 3.07Å; A63-D120 HydrophobicContact CB-CB 3.82Å
64P73.3Confident82.3Confident63 Ų6373.5 Ų73.541%0.40936%0.358SS..Hα-helixtrans-64.5-40.5179.7-23.535.1000113.6H67P64-H67 WeakPolarHBondContact O-CB 3.43Å; P64-H67 PolarHBondContact O-N 2.88Å
65K73.9Confident83.4Confident175 Ų17573.5 Ų73.576%0.76135%0.354SS*.Hα-helixtrans-69.2-37.7179-69.7-177.6179.2177.20112.1S62 A63 H67S62-K65 PolarHBondContact O-N 3.02Å; A63-K65 PolarHBondContact O-N 3.48Å; K65-H67 VanDerWaalsContact C-N 3.34Å
66L86.2Confident84.3Confident58 Ų5872.7 Ų72.730%0.30435%0.351SS..Hα-helixtrans-72.2-30.4176.3-69.5173.6000111.8S62 A63 Q69 R70S62-L66 WeakPolarHBondContact O-CB 3.33Å; S62-L66 VanDerWaalsContact O-CG 3.23Å; S62-L66 WeakPolarHBondContact O-CG 3.4Å; S62-L66 PolarHBondContact O-N 2.95Å; A63-L66 PolarHBondContact O-N 2.88Å; L66-Q69 PolarHBondContact O-N 3.27Å; L66-R70 VanDerWaalsContact O-CG 3.24Å; L66-R70 WeakPolarHBondContact O-CG 3.24Å; L66-R70 PolarHBondContact O-N 2.93Å
67H93Very high85.2Confident2 Ų269.8 Ų69.81%0.00934%0.335CS..Hα-helixtrans-56.4-54.4176.3177.175.8000111.5A63 P64 K65 Q69 R70 V71 M118 L122 R132 E134 E191 V225A63-H67 WeakPolarHBondContact O-CB 3.35Å; A63-H67 PolarHBondContact O-N 3.07Å; P64-H67 WeakPolarHBondContact O-CB 3.43Å; P64-H67 PolarHBondContact O-N 2.88Å; K65-H67 VanDerWaalsContact C-N 3.34Å; H67-Q69 PolarHBondContact O-N 3.21Å; H67-R70 CarbonylContact O-C 3.39Å; H67-R70 WeakPolarHBondContact O-CB 3.43Å; H67-R70 PolarHBondContact O-N 3.16Å; H67-V71 WeakPolarHBondContact O-CG2 3.21Å; H67-V71 PolarHBondContact O-N 3.26Å; H67-M118 VanDerWaalsContact CE1-CE 3.45Å; H67-M118 WeakPolarHBondContact CE1-CE 3.29Å; H67-M118 WeakPolarHBondContact ND1-CE 3.5Å; H67-L122 HydrophobicContact CB-CD1 4.44Å; H67-L122 HydrophobicContact CB-CD2 3.76Å; H67-L122 WeakPolarHBondContact ND1-CD1 3.49Å; H67-R132 PolarHBondContact NE2-NH2 2.85Å; H67-R132 VanDerWaalsContact NE2-NH2 3.17Å; H67-E134 IonicContact CG-OE1 3.28Å; H67-E134 IonicContact ND1-OE1 2.72Å; H67-E134 PolarHBondContact ND1-OE1 3.05Å; H67-E191 IonicContact NE2-OE2 3.82Å; H67-V225 PolarHBondContact CE1-O 2.78Å
68D93.2Very high86.2Confident85 Ų8568.8 Ų68.846%0.45533%0.33SS..Hα-helixtrans-60.4-35.2-180-63.5-19000112.3R72D68-R72 WeakPolarHBondContact O-CG 3.44Å; D68-R72 PolarHBondContact O-N 3.19Å
69Q92.8Very high87.5Confident116 Ų11668.9 Ų68.954%0.54233%0.326SS..Hα-helixtrans-66.5-43.2175-174.6178400111.7L66 H67 R72 D73L66-Q69 PolarHBondContact O-N 3.27Å; H67-Q69 PolarHBondContact O-N 3.21Å; Q69-R72 PolarHBondContact O-N 3.22Å; Q69-D73 PolarHBondContact O-N 3.48Å
70R95Very high88.7Confident53 Ų5366.5 Ų66.520%0.232%0.317CS..Hα-helixtrans-65-38.9175.7-69.3167.3-168.3157.6-2.8111.4L66 H67 D73 I74 M118 D120 E134L66-R70 VanDerWaalsContact O-CG 3.24Å; L66-R70 WeakPolarHBondContact O-CG 3.24Å; L66-R70 PolarHBondContact O-N 2.93Å; H67-R70 CarbonylContact O-C 3.39Å; H67-R70 WeakPolarHBondContact O-CB 3.43Å; H67-R70 PolarHBondContact O-N 3.16Å; R70-D73 WeakPolarHBondContact O-CB 3.36Å; R70-D73 PolarHBondContact O-N 3.4Å; R70-I74 WeakPolarHBondContact O-CG1 3.28Å; R70-I74 PolarHBondContact O-N 3.31Å; R70-M118 HydrophobicContact CB-CE 3.76Å; R70-M118 HydrophobicContact CB-CG 4.17Å; R70-M118 HydrophobicContact CB-SD 4.43Å; R70-D120 IonicContact CZ-OD2 3.46Å; R70-D120 VanDerWaalsContact CZ-OD2 3.25Å; R70-D120 IonicContact NH1-OD2 3.72Å; R70-D120 PolarHBondContact NH1-OD2 3.43Å; R70-D120 IonicContact NH2-OD2 3.17Å; R70-D120 PolarHBondContact NH2-OD2 3.06Å; R70-E134 VanDerWaalsContact NH1-CD 3.33Å; R70-E134 IonicContact NH1-OE1 3.17Å; R70-E134 PolarHBondContact NH1-OE1 3.34Å; R70-E134 IonicContact NH1-OE2 2.64Å; R70-E134 PolarHBondContact NH1-OE2 3.04Å
71V97Very high89.6Confident5 Ų561.7 Ų61.73%0.0329%0.292CS..Hα-helixtrans-61.5-48.3173.5175.30000110.6H67 D73 I74 Q75 M118 V193 L199 V225H67-V71 WeakPolarHBondContact O-CG2 3.21Å; H67-V71 PolarHBondContact O-N 3.26Å; V71-D73 PolarHBondContact O-N 3.34Å; V71-I74 PolarHBondContact O-N 2.97Å; V71-I74 VanDerWaalsContact O-N 3.15Å; V71-Q75 HydrophobicContact CG1-CG 4.46Å; V71-Q75 WeakPolarHBondContact O-CG 3.37Å; V71-Q75 PolarHBondContact O-N 3.11Å; V71-M118 HydrophobicContact CG2-CE 3.63Å; V71-V193 HydrophobicContact CG1-CG2 4.17Å; V71-L199 HydrophobicContact CG1-CD1 3.88Å; V71-L199 HydrophobicContact CG1-CD2 3.91Å; V71-L199 HydrophobicContact CG1-CG 4.36Å; V71-V225 HydrophobicContact CG2-CB 4.01Å; V71-V225 HydrophobicContact CG2-CG1 4.33Å; V71-V225 HydrophobicContact CG2-CG2 4.05Å
72R96.8Very high90.9Very high142 Ų14263.9 Ų63.954%0.53629%0.286SS..Hα-helixtrans-59-36.4175.3-75.7-173.1-67.3-89.30.9112.5D68 Q69 Q75 R76D68-R72 WeakPolarHBondContact O-CG 3.44Å; D68-R72 PolarHBondContact O-N 3.19Å; Q69-R72 PolarHBondContact O-N 3.22Å; R72-Q75 PolarHBondContact O-N 3.24Å; R72-R76 WeakPolarHBondContact O-CB 3.41Å; R72-R76 PolarHBondContact O-N 3.02Å
73D96.7Very high92.1Very high54 Ų5471.4 Ų71.429%0.28932%0.315SS..Hα-helixtrans-63.5-45.5175.4-167.180.8000112Q69 R70 V71 R76 Q77Q69-D73 PolarHBondContact O-N 3.48Å; R70-D73 WeakPolarHBondContact O-CB 3.36Å; R70-D73 PolarHBondContact O-N 3.4Å; V71-D73 PolarHBondContact O-N 3.34Å; D73-R76 WeakPolarHBondContact O-CB 3.47Å; D73-R76 PolarHBondContact O-N 2.95Å; D73-R76 IonicContact OD1-CZ 3.57Å; D73-R76 IonicContact OD1-NH1 3.37Å; D73-R76 PolarHBondContact OD1-NH1 3.47Å; D73-R76 IonicContact OD1-NH2 3.37Å; D73-R76 PolarHBondContact OD1-NH2 3.36Å; D73-R76 IonicContact OD2-NH2 3.93Å; D73-Q77 WeakPolarHBondContact O-CG 3.44Å; D73-Q77 PolarHBondContact O-N 2.94Å; D73-Q77 PolarHBondContact OD2-NE2 2.94Å
74I97.6Very high92.9Very high2 Ų277.2 Ų77.21%0.0135%0.345CS..Hα-helixtrans-62.9-46.4175.7-65.6162.3000110.5R70 V71 R76 Q77 V78 I114 I116 M118 V193 F223 V225R70-I74 WeakPolarHBondContact O-CG1 3.28Å; R70-I74 PolarHBondContact O-N 3.31Å; V71-I74 PolarHBondContact O-N 2.97Å; V71-I74 VanDerWaalsContact O-N 3.15Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 3.3Å; I74-Q77 PolarHBondContact O-N 2.84Å; I74-V78 WeakPolarHBondContact O-CG2 3.11Å; I74-V78 PolarHBondContact O-N 2.99Å; I74-I114 HydrophobicContact CG2-CG2 3.94Å; I74-I116 HydrophobicContact CD1-CB 4.29Å; I74-I116 HydrophobicContact CD1-CG1 4.02Å; I74-I116 HydrophobicContact CD1-CG2 3.99Å; I74-I116 HydrophobicContact CG1-CG1 4.3Å; I74-M118 HydrophobicContact CD1-CE 4.5Å; I74-M118 HydrophobicContact CD1-CG 4.31Å; I74-M118 HydrophobicContact CD1-SD 3.39Å; I74-M118 WeakPolarHBondContact CD1-SD 3.22Å; I74-V193 HydrophobicContact CB-CG2 4.47Å; I74-V193 HydrophobicContact CG2-CB 3.97Å; I74-V193 HydrophobicContact CG2-CG1 4.09Å; I74-V193 HydrophobicContact CG2-CG2 3.97Å; I74-F223 HydrophobicContact CG2-CB 4.38Å; I74-F223 HydrophobicContact CG2-CD2 4.37Å; I74-V225 HydrophobicContact CD1-CG1 3.81Å
75Q98.2Very high93.3Very high25 Ų2577.2 Ų77.212%0.11736%0.357CS..Hα-helixtrans-57.4-41.2174.9-69.1-178.5-59.200111.8V71 R72 V78 R79 V193 G197V71-Q75 HydrophobicContact CG1-CG 4.46Å; V71-Q75 WeakPolarHBondContact O-CG 3.37Å; V71-Q75 PolarHBondContact O-N 3.11Å; R72-Q75 PolarHBondContact O-N 3.24Å; Q75-V78 PolarHBondContact O-N 2.79Å; Q75-R79 WeakPolarHBondContact O-CB 3.29Å; Q75-R79 VanDerWaalsContact O-CG 3.22Å; Q75-R79 WeakPolarHBondContact O-CG 3.33Å; Q75-R79 PolarHBondContact O-N 2.87Å; Q75-V193 HydrophobicContact CG-CG1 3.92Å; Q75-V193 HydrophobicContact CG-CG2 3.89Å; Q75-G197 WeakPolarHBondContact CG-O 3.48Å; Q75-G197 PolarHBondContact NE2-O 2.75Å; Q75-G197 VanDerWaalsContact NE2-O 3.1Å
76R97.9Very high93.6Very high117 Ų11769.9 Ų69.944%0.44233%0.331SS..Hα-helixtrans-61.8-49.1175.8-169.7-17069.1-114.6-8.5111.1R72 D73 I74 V78 R79 E80R72-R76 WeakPolarHBondContact O-CB 3.41Å; R72-R76 PolarHBondContact O-N 3.02Å; D73-R76 WeakPolarHBondContact O-CB 3.47Å; D73-R76 PolarHBondContact O-N 2.95Å; D73-R76 IonicContact OD1-CZ 3.57Å; D73-R76 IonicContact OD1-NH1 3.37Å; D73-R76 PolarHBondContact OD1-NH1 3.47Å; D73-R76 IonicContact OD1-NH2 3.37Å; D73-R76 PolarHBondContact OD1-NH2 3.36Å; D73-R76 IonicContact OD2-NH2 3.93Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 3.3Å; R76-V78 VanDerWaalsContact C-N 3.31Å; R76-V78 PolarHBondContact O-N 2.78Å; R76-R79 PolarHBondContact O-N 2.8Å; R76-E80 WeakPolarHBondContact CD-OE1 3Å; R76-E80 HydrophobicContact CG-CG 4.45Å; R76-E80 WeakPolarHBondContact CG-OE1 3.5Å; R76-E80 IonicContact NE-OE1 3.74Å; R76-E80 PolarHBondContact NE-OE1 2.99Å; R76-E80 WeakPolarHBondContact O-CB 3.24Å; R76-E80 WeakPolarHBondContact O-CG 3.46Å; R76-E80 PolarHBondContact O-N 3.36Å
77Q97.6Very high93.2Very high20 Ų2070.8 Ų70.89%0.09335%0.354CS..Hα-helixtrans-58.2-41.2178.3-68.5176.563.900112.3D73 I74 W81 I114 M115D73-Q77 WeakPolarHBondContact O-CG 3.44Å; D73-Q77 PolarHBondContact O-N 2.94Å; D73-Q77 PolarHBondContact OD2-NE2 2.94Å; I74-Q77 PolarHBondContact O-N 2.84Å; Q77-W81 PolarHBondContact O-N 2.95Å; Q77-I114 HydrophobicContact CB-CD1 3.93Å; Q77-I114 HydrophobicContact CB-CG2 4.25Å; Q77-M115 PolarHBondContact NE2-O 3.23Å
78V97.3Very high93.1Very high0 Ų074 Ų740%037%0.374CS..Hα-helixtrans-66.7-45.2176.7172.30000111.6I74 Q75 R76 E80 W81 R82 M90 I114 V193 A195 F223I74-V78 WeakPolarHBondContact O-CG2 3.11Å; I74-V78 PolarHBondContact O-N 2.99Å; Q75-V78 PolarHBondContact O-N 2.79Å; R76-V78 VanDerWaalsContact C-N 3.31Å; R76-V78 PolarHBondContact O-N 2.78Å; V78-E80 VanDerWaalsContact C-N 3.34Å; V78-E80 PolarHBondContact O-N 3.11Å; V78-W81 WeakPolarHBondContact O-CB 3.45Å; V78-W81 PolarHBondContact O-N 2.9Å; V78-R82 PolarHBondContact O-N 2.92Å; V78-M90 HydrophobicContact CB-SD 4.47Å; V78-M90 HydrophobicContact CG1-CE 4.12Å; V78-M90 HydrophobicContact CG1-SD 4.28Å; V78-M90 HydrophobicContact CG2-SD 4.08Å; V78-I114 HydrophobicContact CG2-CD1 4.49Å; V78-I114 HydrophobicContact CG2-CG2 4.42Å; V78-V193 HydrophobicContact CG2-CG1 4.14Å; V78-A195 WeakPolarHBondContact CG1-O 3.32Å; V78-F223 HydrophobicContact CG2-CD2 3.92Å; V78-F223 HydrophobicContact CG2-CE2 3.74Å
79R97.1Very high93.2Very high129 Ų12974.5 Ų74.549%0.48737%0.37SS..Hα-helixtrans-65.5-36.8177.9-70170.1-168.3161.38.4112.3Q75 R76 R82 K83 G197Q75-R79 WeakPolarHBondContact O-CB 3.29Å; Q75-R79 VanDerWaalsContact O-CG 3.22Å; Q75-R79 WeakPolarHBondContact O-CG 3.33Å; Q75-R79 PolarHBondContact O-N 2.87Å; R76-R79 PolarHBondContact O-N 2.8Å; R79-R82 PolarHBondContact O-N 3.49Å; R79-K83 WeakPolarHBondContact O-CB 3.35Å; R79-K83 PolarHBondContact O-N 2.95Å; R79-G197 PolarHBondContact NH2-O 3.38Å
80E96Very high93.3Very high85 Ų8569 Ų6940%0.39734%0.344SS..Hα-helixtrans-62.9-45.2172.9-77.1171.6-168.600111.5R76 V78 R82 K83 N84R76-E80 WeakPolarHBondContact CD-OE1 3Å; R76-E80 HydrophobicContact CG-CG 4.45Å; R76-E80 WeakPolarHBondContact CG-OE1 3.5Å; R76-E80 IonicContact NE-OE1 3.74Å; R76-E80 PolarHBondContact NE-OE1 2.99Å; R76-E80 WeakPolarHBondContact O-CB 3.24Å; R76-E80 WeakPolarHBondContact O-CG 3.46Å; R76-E80 PolarHBondContact O-N 3.36Å; V78-E80 VanDerWaalsContact C-N 3.34Å; V78-E80 PolarHBondContact O-N 3.11Å; E80-R82 VanDerWaalsContact C-N 3.31Å; E80-R82 PolarHBondContact O-N 2.98Å; E80-K83 PolarHBondContact O-N 2.81Å; E80-N84 WeakPolarHBondContact O-CB 3.11Å; E80-N84 PolarHBondContact O-N 2.85Å; E80-N84 PolarHBondContact O-ND2 3.31Å
81W95.4Very high93.3Very high24 Ų2466.5 Ų66.59%0.09134%0.335CS..Hα-helixtrans-56.6-45.9173.8166.383.1000111.7Q77 V78 N84 G86 T88 M90 K112 A503Q77-W81 PolarHBondContact O-N 2.95Å; V78-W81 WeakPolarHBondContact O-CB 3.45Å; V78-W81 PolarHBondContact O-N 2.9Å; W81-N84 PolarHBondContact O-N 3.15Å; W81-G86 WeakPolarHBondContact CZ2-O 3.4Å; W81-G86 PolarHBondContact O-N 3.34Å; W81-T88 VanDerWaalsContact CE2-O 3.27Å; W81-T88 WeakPolarHBondContact CZ2-O 3.34Å; W81-T88 PolarHBondContact NE1-O 3.23Å; W81-M90 HydrophobicContact CB-SD 4.15Å; W81-M90 HydrophobicContact CD2-CE 4.03Å; W81-M90 HydrophobicContact CD2-CG 3.61Å; W81-M90 HydrophobicContact CD2-SD 3.52Å; W81-M90 VanDerWaalsContact CD2-SD 3.52Å; W81-M90 HydrophobicContact CE3-CE 3.58Å; W81-M90 HydrophobicContact CE3-CG 4.17Å; W81-M90 HydrophobicContact CE3-SD 3.58Å; W81-M90 VanDerWaalsContact CE3-SD 3.58Å; W81-M90 HydrophobicContact CG-CG 3.79Å; W81-M90 HydrophobicContact CG-SD 3.77Å; W81-M90 HydrophobicContact CH2-CE 4.13Å; W81-M90 HydrophobicContact CZ2-CE 4.49Å; W81-M90 HydrophobicContact CZ2-CG 4.19Å; W81-M90 HydrophobicContact CZ3-CE 3.64Å; W81-M90 HydrophobicContact CZ3-SD 4.25Å; W81-K112 HydrophobicContact CB-CG 4.41Å; W81-K112 HydrophobicContact CG-CG 4.4Å; W81-A503 HydrophobicContact CH2-CB 3.67Å; W81-A503 HydrophobicContact CZ2-CB 4.44Å; W81-A503 HydrophobicContact CZ3-CB 4.14Å
82R93.1Very high93Very high150 Ų15068.1 Ų68.157%0.56635%0.345SS*.Hα-helixtrans-63.9-43177.5-169.7177.3-178.1-1784112.2V78 R79 E80 N84 G85V78-R82 PolarHBondContact O-N 2.92Å; R79-R82 PolarHBondContact O-N 3.49Å; E80-R82 VanDerWaalsContact C-N 3.31Å; E80-R82 PolarHBondContact O-N 2.98Å; R82-N84 PolarHBondContact O-N 2.9Å; R82-G85 PolarHBondContact O-N 3.19Å; R82-G85 VanDerWaalsContact O-N 3.12Å
83K92.9Very high92.6Very high185 Ų18561.7 Ų61.780%0.80432%0.323SS*.Hα-helixtrans-61.8-32.3176.8-175.3178.2178.1-177.20112.3R79 E80 G85R79-K83 WeakPolarHBondContact O-CB 3.35Å; R79-K83 PolarHBondContact O-N 2.95Å; E80-K83 PolarHBondContact O-N 2.81Å; K83-G85 PolarHBondContact O-N 3.3Å
84N90.3Very high92.1Very high131 Ų13161.6 Ų61.670%0.70132%0.318SS*.THydrogen-bonded Turntrans-81.817.7177.1-64.3-23.5000113.3E80 W81 R82E80-N84 WeakPolarHBondContact O-CB 3.11Å; E80-N84 PolarHBondContact O-N 2.85Å; E80-N84 PolarHBondContact O-ND2 3.31Å; W81-N84 PolarHBondContact O-N 3.15Å; R82-N84 PolarHBondContact O-N 2.9Å
85G82.1Confident91.2Very high64 Ų6464 Ų6466%0.6633%0.334SS*.THydrogen-bonded Turntrans89.41.7172.400000115.6R82 K83 G87R82-G85 PolarHBondContact O-N 3.19Å; R82-G85 VanDerWaalsContact O-N 3.12Å; K83-G85 PolarHBondContact O-N 3.3Å; G85-G87 PolarHBondContact O-N 2.65Å
86G78.6Confident89.9Confident21 Ų2163.4 Ų63.422%0.21634%0.335CS..  trans60.718.7170.800000116W81 T88W81-G86 WeakPolarHBondContact CZ2-O 3.4Å; W81-G86 PolarHBondContact O-N 3.34Å; G86-T88 PolarHBondContact O-N 2.92Å; G86-T88 VanDerWaalsContact O-N 3.13Å
87G78Confident88.6Confident76 Ų7661.7 Ų61.778%0.78433%0.329SS*.  trans-74.80.9-168.100000116.7G85G85-G87 PolarHBondContact O-N 2.65Å
88T90.8Very high87.5Confident70 Ų7062.5 Ų62.543%0.42933%0.334SS..SBendtrans-135.5145.4173.656.70000109.6W81 G86W81-T88 VanDerWaalsContact CE2-O 3.27Å; W81-T88 WeakPolarHBondContact CZ2-O 3.34Å; W81-T88 PolarHBondContact NE1-O 3.23Å; G86-T88 PolarHBondContact O-N 2.92Å; G86-T88 VanDerWaalsContact O-N 3.13Å
89Y95.7Very high86.4Confident96 Ų9664.1 Ų64.138%0.37634%0.344SS..  trans-60.9152.5172.5-65.1-33.4000111.7H111 K112 K501 E502 A503 P505Y89-H111 WeakPolarHBondContact CB-CD2 3.42Å; Y89-H111 WeakPolarHBondContact CB-NE2 3.42Å; Y89-H111 AromaticContact CD2-NE2 3.47Å; Y89-H111 WeakPolarHBondContact CD2-NE2 3.37Å; Y89-H111 AromaticContact CG-NE2 3.95Å; Y89-H111 CarbonylContact O-C 3.6Å; Y89-H111 WeakPolarHBondContact O-CA 3.45Å; Y89-H111 WeakPolarHBondContact O-CB 3.47Å; Y89-K112 PolarHBondContact O-N 3.31Å; Y89-K501 VanDerWaalsContact CE1-O 3.24Å; Y89-K501 WeakPolarHBondContact CE1-O 3.43Å; Y89-E502 VanDerWaalsContact CD1-O 3.29Å; Y89-E502 WeakPolarHBondContact CD1-O 3.07Å; Y89-A503 CarbonylContact C-O 3.55Å; Y89-P505 HydrophobicContact CD2-CB 3.86Å; Y89-P505 HydrophobicContact CE2-CB 4.21Å
90M96.2Very high85.3Confident0 Ų059.9 Ų59.90%033%0.332CS..EExtended strand (participates in β ladder)trans-94.2155.3172-59.9-173.6-77.200111.3V78 W81 K112 I114 F223 A503 F504V78-M90 HydrophobicContact CB-SD 4.47Å; V78-M90 HydrophobicContact CG1-CE 4.12Å; V78-M90 HydrophobicContact CG1-SD 4.28Å; V78-M90 HydrophobicContact CG2-SD 4.08Å; W81-M90 HydrophobicContact CB-SD 4.15Å; W81-M90 HydrophobicContact CD2-CE 4.03Å; W81-M90 HydrophobicContact CD2-CG 3.61Å; W81-M90 HydrophobicContact CD2-SD 3.52Å; W81-M90 VanDerWaalsContact CD2-SD 3.52Å; W81-M90 HydrophobicContact CE3-CE 3.58Å; W81-M90 HydrophobicContact CE3-CG 4.17Å; W81-M90 HydrophobicContact CE3-SD 3.58Å; W81-M90 VanDerWaalsContact CE3-SD 3.58Å; W81-M90 HydrophobicContact CG-CG 3.79Å; W81-M90 HydrophobicContact CG-SD 3.77Å; W81-M90 HydrophobicContact CH2-CE 4.13Å; W81-M90 HydrophobicContact CZ2-CE 4.49Å; W81-M90 HydrophobicContact CZ2-CG 4.19Å; W81-M90 HydrophobicContact CZ3-CE 3.64Å; W81-M90 HydrophobicContact CZ3-SD 4.25Å; M90-K112 CarbonylContact C-O 3.59Å; M90-K112 WeakPolarHBondContact CA-O 3.45Å; M90-K112 HydrophobicContact CG-CB 4.31Å; M90-I114 HydrophobicContact CB-CG1 4.19Å; M90-I114 HydrophobicContact CG-CG1 4.34Å; M90-I114 HydrophobicContact SD-CD1 4Å; M90-I114 HydrophobicContact SD-CG1 3.98Å; M90-F223 HydrophobicContact CB-CE2 4.43Å; M90-F223 HydrophobicContact CB-CZ 3.91Å; M90-F223 HydrophobicContact CE-CE2 4.33Å; M90-F223 HydrophobicContact SD-CE2 4.13Å; M90-F223 HydrophobicContact SD-CZ 4.48Å; M90-A503 HydrophobicContact CE-CB 3.89Å; M90-A503 PolarHBondContact N-O 3.29Å; M90-F504 HydrophobicContact CB-CD1 4.18Å; M90-F504 HydrophobicContact CB-CE1 3.96Å; M90-F504 HydrophobicContact CE-CE1 4.02Å; M90-F504 HydrophobicContact CE-CZ 3.89Å
91C93.7Very high84.2Confident1 Ų157.1 Ų57.11%0.00732%0.322CS..EExtended strand (participates in β ladder)trans-152.6168.4166.870.60000110.6G93 Y107 H111 K112 N113 I114C91-G93 PolarHBondContact O-N 2.87Å; C91-Y107 HydrophobicContact CB-CD2 3.92Å; C91-Y107 HydrophobicContact CB-CE2 3.83Å; C91-H111 HydrophobicContact CB-CB 4.34Å; C91-K112 PolarHBondContact N-O 3.29Å; C91-N113 PolarHBondContact SG-OD1 2.95Å; C91-N113 VanDerWaalsContact SG-OD1 3.35Å; C91-I114 PolarHBondContact O-N 3.23Å
92T92Very high82.6Confident38 Ų3859.4 Ų59.423%0.23334%0.336CS..EExtended strand (participates in β ladder)trans-60.7140.9176.764.90000110.4R94 K108 N113 I114 I116 F223T92-R94 PolarHBondContact O-N 3.44Å; T92-K108 PolarHBondContact O-NZ 3.47Å; T92-K108 PolarHBondContact OG1-NZ 3.12Å; T92-N113 PolarHBondContact O-OD1 3.36Å; T92-I114 CarbonylContact C-O 3.56Å; T92-I116 HydrophobicContact CG2-CD1 3.68Å; T92-F223 HydrophobicContact CG2-CD1 4.06Å; T92-F223 HydrophobicContact CG2-CE1 4.12Å
93G86.7Confident81.5Confident8 Ų853.7 Ų53.78%0.08231%0.314CS..  trans-82.20.4-179.500000114C91 P95 I114C91-G93 PolarHBondContact O-N 2.87Å; G93-P95 VanDerWaalsContact O-CD 3.22Å; G93-P95 WeakPolarHBondContact O-CD 3.02Å; G93-P95 VanDerWaalsContact O-N 3.17Å; G93-I114 WeakPolarHBondContact CA-O 3.39Å; G93-I114 PolarHBondContact N-O 2.69Å
94R86.1Confident80.5Confident51 Ų5147.3 Ų47.319%0.19229%0.291CS..SBendtrans-58.4119.3174.7-173.8175.6-179.6-179.42.7108.8T92 L98 K108 T163T92-R94 PolarHBondContact O-N 3.44Å; R94-L98 HydrophobicContact CG-CB 4.13Å; R94-L98 VanDerWaalsContact CZ-O 3.32Å; R94-L98 PolarHBondContact NE-O 3.16Å; R94-L98 PolarHBondContact NH2-O 2.79Å; R94-K108 PolarHBondContact O-NZ 2.8Å; R94-T163 VanDerWaalsContact NH1-CG2 3.32Å; R94-T163 PolarHBondContact NH1-OG1 3.38Å; R94-T163 VanDerWaalsContact NH1-OG1 3.1Å
95P80Confident79.9Confident52 Ų5241.6 Ų41.634%0.33826%0.263SS..  trans-55141.1177-26.933.9000112G93 W97 L98G93-P95 VanDerWaalsContact O-CD 3.22Å; G93-P95 WeakPolarHBondContact O-CD 3.02Å; G93-P95 VanDerWaalsContact O-N 3.17Å; P95-W97 HydrophobicContact CB-CG 4.25Å; P95-W97 PolarHBondContact O-N 3.04Å; P95-L98 HydrophobicContact CB-CD1 4.48Å; P95-L98 HydrophobicContact CG-CD1 4.15Å; P95-L98 PolarHBondContact O-N 2.86Å
96G71.6Confident80Confident14 Ų1442.6 Ų42.614%0.14425%0.249CC..G310 helixtrans-59.5-31.7-177.700000113.7L98 T99 K367G96-L98 VanDerWaalsContact C-N 3.3Å; G96-L98 PolarHBondContact O-N 3.46Å; G96-T99 PolarHBondContact O-N 3.16Å; G96-T99 PolarHBondContact O-OG1 2.98Å; G96-K367 PolarHBondContact O-NZ 2.7Å
97W68.9Low80.3Confident81 Ų8143.5 Ų43.531%0.30725%0.246SC..G310 helixtrans-65.3-32.4175.768.1-94.4000112.3P95 T99 S364 L365 L368P95-W97 HydrophobicContact CB-CG 4.25Å; P95-W97 PolarHBondContact O-N 3.04Å; W97-T99 PolarHBondContact O-N 3.04Å; W97-S364 WeakPolarHBondContact O-CA 3.27Å; W97-S364 WeakPolarHBondContact O-CB 3.25Å; W97-L365 HydrophobicContact CZ3-CD2 4.27Å; W97-L368 HydrophobicContact CB-CD2 3.68Å; W97-L368 HydrophobicContact CB-CG 3.9Å; W97-L368 HydrophobicContact CD2-CD1 3.86Å; W97-L368 HydrophobicContact CD2-CD2 4.02Å; W97-L368 HydrophobicContact CD2-CG 4.02Å; W97-L368 HydrophobicContact CE3-CD1 3.62Å; W97-L368 HydrophobicContact CE3-CG 4.02Å; W97-L368 HydrophobicContact CG-CD1 4.34Å; W97-L368 HydrophobicContact CG-CD2 3.62Å; W97-L368 HydrophobicContact CG-CG 3.99Å; W97-L368 HydrophobicContact CZ3-CD1 4.03Å
98L75Confident80.7Confident37 Ų3741.3 Ų41.319%0.19422%0.215CC..G310 helixtrans-75.3-5.8177.1-80170.5000114.2F46 R94 P95 G96F46-L98 HydrophobicContact CZ-CD2 4.09Å; R94-L98 HydrophobicContact CG-CB 4.13Å; R94-L98 VanDerWaalsContact CZ-O 3.32Å; R94-L98 PolarHBondContact NE-O 3.16Å; R94-L98 PolarHBondContact NH2-O 2.79Å; P95-L98 HydrophobicContact CB-CD1 4.48Å; P95-L98 HydrophobicContact CG-CD1 4.15Å; P95-L98 PolarHBondContact O-N 2.86Å; G96-L98 VanDerWaalsContact C-N 3.3Å; G96-L98 PolarHBondContact O-N 3.46Å
99T74.9Confident80.5Confident34 Ų3445.6 Ų45.621%0.20923%0.227CC..SBendtrans-84149.4176.169.30000110.5G96 W97 K367G96-T99 PolarHBondContact O-N 3.16Å; G96-T99 PolarHBondContact O-OG1 2.98Å; W97-T99 PolarHBondContact O-N 3.04Å; T99-K367 PolarHBondContact O-NZ 2.87Å; T99-K367 PolarHBondContact OG1-NZ 2.99Å
100V73.8Confident80.1Confident39 Ų3945.5 Ų45.524%0.23624%0.237CC..SBendtrans-73.3-37.6176.9175.30000111.3L102 D161 L162 I363V100-L102 PolarHBondContact O-N 3.42Å; V100-D161 HydrophobicContact CG2-CB 4.2Å; V100-L162 HydrophobicContact CB-CD2 4.22Å; V100-L162 HydrophobicContact CG1-CD2 4.06Å; V100-L162 HydrophobicContact CG2-CD2 4.24Å; V100-I363 HydrophobicContact CG1-CD1 3.88Å
101S72Confident79.9Confident28 Ų2846.9 Ų46.920%0.19624%0.243CC..SBendtrans-52.9121.7177.1143.50000112.3R103 K367S101-R103 PolarHBondContact O-N 3.37Å; S101-R103 VanDerWaalsContact OG-CB 3.28Å; S101-R103 WeakPolarHBondContact OG-CB 3.39Å; S101-R103 VanDerWaalsContact OG-CD 3.29Å; S101-R103 WeakPolarHBondContact OG-CD 3.36Å; S101-R103 WeakPolarHBondContact OG-CG 3.42Å; S101-R103 PolarHBondContact OG-N 3.26Å; S101-K367 WeakPolarHBondContact O-CE 3.08Å; S101-K367 PolarHBondContact O-NZ 3.27Å
102L62.2Low79.9Confident71 Ų7151 Ų5137%0.37226%0.261SS..SBendtrans-52.2-16-179.5-68.7172.5000115.8V100 V384V100-L102 PolarHBondContact O-N 3.42Å; L102-V384 HydrophobicContact CD1-CB 4.19Å; L102-V384 HydrophobicContact CD1-CG1 4.37Å; L102-V384 HydrophobicContact CD1-CG2 3.63Å
103R70.8Confident80.1Confident30 Ų3052.1 Ų52.111%0.11327%0.266CS..  trans-67.8141.5-178.7-45.1171.3-177.2-171-7.4114.1S101 L471 Y472 A473 R516S101-R103 PolarHBondContact O-N 3.37Å; S101-R103 VanDerWaalsContact OG-CB 3.28Å; S101-R103 WeakPolarHBondContact OG-CB 3.39Å; S101-R103 VanDerWaalsContact OG-CD 3.29Å; S101-R103 WeakPolarHBondContact OG-CD 3.36Å; S101-R103 WeakPolarHBondContact OG-CG 3.42Å; S101-R103 PolarHBondContact OG-N 3.26Å; R103-L471 VanDerWaalsContact CZ-C 3.47Å; R103-L471 PolarHBondContact NH1-O 3.23Å; R103-L471 PolarHBondContact NH2-O 3.35Å; R103-Y472 VanDerWaalsContact CZ-O 3.27Å; R103-Y472 PolarHBondContact NE-O 3.44Å; R103-Y472 PolarHBondContact NH2-O 3.01Å; R103-A473 PolarHBondContact NE-O 3.27Å; R103-A473 PolarHBondContact NH2-O 3.34Å; R103-R516 VanDerWaalsContact CD-NH1 3.29Å; R103-R516 VanDerWaalsContact CG-NH1 3.32Å; R103-R516 VanDerWaalsContact NE-NH2 3.2Å
104V71.9Confident80.5Confident52 Ų5251.7 Ų51.732%0.31526%0.262SS..  trans-113.1102.6164.2-173.60000108.6K106 H517V104-K106 PolarHBondContact O-N 2.88Å; V104-H517 HydrophobicContact CB-CB 4.46Å; V104-H517 PolarHBondContact O-N 3.28Å
105G77.5Confident80.9Confident11 Ų1153 Ų5311%0.11327%0.271CS..BIsolated β-bridgetrans-70.8121.7-17800000112.6Y107 K108G105-Y107 PolarHBondContact O-N 3.28Å; G105-K108 PolarHBondContact O-N 3.45Å
106K83.4Confident81.4Confident85 Ų8551.1 Ų51.137%0.3726%0.258SS..THydrogen-bonded Turntrans-57.6-36175.9-76.1171.3173.1150.30112V104 K108 K109 S514 A515 R516 H517V104-K106 PolarHBondContact O-N 2.88Å; K106-K108 PolarHBondContact O-N 2.93Å; K106-K109 PolarHBondContact O-N 3.21Å; K106-S514 PolarHBondContact NZ-O 3.35Å; K106-S514 VanDerWaalsContact NZ-O 3.12Å; K106-A515 WeakPolarHBondContact CB-O 3.16Å; K106-A515 PolarHBondContact N-O 3.41Å; K106-R516 WeakPolarHBondContact CD-O 3.27Å; K106-R516 WeakPolarHBondContact CE-O 3.38Å; K106-R516 PolarHBondContact NZ-O 2.88Å; K106-H517 VanDerWaalsContact CG-CE1 3.49Å; K106-H517 WeakPolarHBondContact CG-CE1 3.3Å
107Y84.4Confident82.1Confident39 Ų3955 Ų5515%0.15328%0.275CS..Hα-helixtrans-54.6-29.4-178.367.9-98.7000113C91 G105 K109 T110 H111 K510C91-Y107 HydrophobicContact CB-CD2 3.92Å; C91-Y107 HydrophobicContact CB-CE2 3.83Å; G105-Y107 PolarHBondContact O-N 3.28Å; Y107-K109 PolarHBondContact O-N 3.01Å; Y107-K109 VanDerWaalsContact O-N 3.1Å; Y107-T110 PolarHBondContact O-N 3.4Å; Y107-T110 VanDerWaalsContact O-N 3.07Å; Y107-T110 PolarHBondContact O-OG1 3.41Å; Y107-H111 WeakPolarHBondContact O-CB 3.41Å; Y107-H111 VanDerWaalsContact O-CG 3.28Å; Y107-H111 PolarHBondContact O-N 2.81Å; Y107-H111 PolarHBondContact O-ND1 2.88Å; Y107-H111 VanDerWaalsContact O-ND1 3.09Å; Y107-K510 HydrophobicContact CE1-CB 4.27Å; Y107-K510 HydrophobicContact CE1-CG 4.38Å
108K86.8Confident83.2Confident30 Ų3051.2 Ų51.213%0.1326%0.261CS..Hα-helixtrans-60.7-22.1177.8-64.5-72.3-174.7169.70114T92 R94 G105 K106 N113T92-K108 PolarHBondContact O-NZ 3.47Å; T92-K108 PolarHBondContact OG1-NZ 3.12Å; R94-K108 PolarHBondContact O-NZ 2.8Å; G105-K108 PolarHBondContact O-N 3.45Å; K106-K108 PolarHBondContact O-N 2.93Å; K108-N113 PolarHBondContact O-ND2 3.13Å
109K86.7Confident84Confident160 Ų16051.1 Ų51.170%0.69626%0.26SS*.Hα-helixtrans-89.6-23.6178.2-64.7178.2177.9168.90112.9K106 Y107 H517K106-K109 PolarHBondContact O-N 3.21Å; Y107-K109 PolarHBondContact O-N 3.01Å; Y107-K109 VanDerWaalsContact O-N 3.1Å; K109-H517 PolarHBondContact NZ-CE1 3.29Å; K109-H517 PolarHBondContact NZ-NE2 3.5Å
110T87.9Confident84.8Confident94 Ų9449.9 Ų49.958%0.57725%0.252SS*.Hα-helixtrans-107.2-25.4-17457.90000113.2Y107Y107-T110 PolarHBondContact O-N 3.4Å; Y107-T110 VanDerWaalsContact O-N 3.07Å; Y107-T110 PolarHBondContact O-OG1 3.41Å
111H91.9Very high85.7Confident29 Ų2949.5 Ų49.513%0.13425%0.249CC..SBendtrans-90.8156.3-177.7-6740.6000111.4Y89 C91 Y107 N113Y89-H111 WeakPolarHBondContact CB-CD2 3.42Å; Y89-H111 WeakPolarHBondContact CB-NE2 3.42Å; Y89-H111 AromaticContact CD2-NE2 3.47Å; Y89-H111 WeakPolarHBondContact CD2-NE2 3.37Å; Y89-H111 AromaticContact CG-NE2 3.95Å; Y89-H111 CarbonylContact O-C 3.6Å; Y89-H111 WeakPolarHBondContact O-CA 3.45Å; Y89-H111 WeakPolarHBondContact O-CB 3.47Å; C91-H111 HydrophobicContact CB-CB 4.34Å; Y107-H111 WeakPolarHBondContact O-CB 3.41Å; Y107-H111 VanDerWaalsContact O-CG 3.28Å; Y107-H111 PolarHBondContact O-N 2.81Å; Y107-H111 PolarHBondContact O-ND1 2.88Å; Y107-H111 VanDerWaalsContact O-ND1 3.09Å; H111-N113 PolarHBondContact O-N 3.04Å
112K94.3Very high86.7Confident87 Ų8748.9 Ų48.938%0.37824%0.243SC..EExtended strand (participates in β ladder)trans-68.4117.1170.5179.365.1175.3-1770109.8W81 Y89 M90 C91 I114W81-K112 HydrophobicContact CB-CG 4.41Å; W81-K112 HydrophobicContact CG-CG 4.4Å; Y89-K112 PolarHBondContact O-N 3.31Å; M90-K112 CarbonylContact C-O 3.59Å; M90-K112 WeakPolarHBondContact CA-O 3.45Å; M90-K112 HydrophobicContact CG-CB 4.31Å; C91-K112 PolarHBondContact N-O 3.29Å; K112-I114 HydrophobicContact CG-CD1 3.93Å
113N94.6Very high88.2Confident62 Ų6250.5 Ų50.533%0.33225%0.249SC..EExtended strand (participates in β ladder)trans-79.5118.4175-72.8-53.3000110.4C91 T92 K108 H111C91-N113 PolarHBondContact SG-OD1 2.95Å; C91-N113 VanDerWaalsContact SG-OD1 3.35Å; T92-N113 PolarHBondContact O-OD1 3.36Å; K108-N113 PolarHBondContact O-ND2 3.13Å; H111-N113 PolarHBondContact O-N 3.04Å
114I95.9Very high89.4Confident0 Ų050.9 Ų50.90%025%0.254CS..EExtended strand (participates in β ladder)trans-99.9115174.4-56.6-60.3000108.8I74 Q77 V78 M90 C91 T92 G93 K112 I116 F223I74-I114 HydrophobicContact CG2-CG2 3.94Å; Q77-I114 HydrophobicContact CB-CD1 3.93Å; Q77-I114 HydrophobicContact CB-CG2 4.25Å; V78-I114 HydrophobicContact CG2-CD1 4.49Å; V78-I114 HydrophobicContact CG2-CG2 4.42Å; M90-I114 HydrophobicContact CB-CG1 4.19Å; M90-I114 HydrophobicContact CG-CG1 4.34Å; M90-I114 HydrophobicContact SD-CD1 4Å; M90-I114 HydrophobicContact SD-CG1 3.98Å; C91-I114 PolarHBondContact O-N 3.23Å; T92-I114 CarbonylContact C-O 3.56Å; G93-I114 WeakPolarHBondContact CA-O 3.39Å; G93-I114 PolarHBondContact N-O 2.69Å; K112-I114 HydrophobicContact CG-CD1 3.93Å; I114-I116 HydrophobicContact CG2-CG1 4.45Å; I114-I116 PolarHBondContact O-N 3.15Å; I114-F223 HydrophobicContact CB-CE1 4.06Å; I114-F223 HydrophobicContact CB-CE2 3.89Å; I114-F223 HydrophobicContact CB-CZ 3.56Å; I114-F223 HydrophobicContact CG1-CE1 4.34Å; I114-F223 HydrophobicContact CG1-CE2 3.63Å; I114-F223 HydrophobicContact CG1-CZ 3.4Å; I114-F223 HydrophobicContact CG2-CD2 4.19Å; I114-F223 HydrophobicContact CG2-CE2 3.91Å; I114-F223 HydrophobicContact CG2-CZ 4.07Å
115M94.8Very high90.6Very high77 Ų7750.1 Ų50.138%0.37925%0.248SC..  trans-74.8116.2-173.7-60.2-54.5-62.600110.9Q77Q77-M115 PolarHBondContact NE2-O 3.23Å
116I89.3Confident91.5Very high13 Ų1353 Ų537%0.06726%0.264CS..  trans-120.869.2-178.9-54.6161.5000107.8I74 T92 I114 M118 P135 L136 F223I74-I116 HydrophobicContact CD1-CB 4.29Å; I74-I116 HydrophobicContact CD1-CG1 4.02Å; I74-I116 HydrophobicContact CD1-CG2 3.99Å; I74-I116 HydrophobicContact CG1-CG1 4.3Å; T92-I116 HydrophobicContact CG2-CD1 3.68Å; I114-I116 HydrophobicContact CG2-CG1 4.45Å; I114-I116 PolarHBondContact O-N 3.15Å; I116-M118 HydrophobicContact CG2-CB 4.31Å; I116-M118 HydrophobicContact CG2-CG 4.01Å; I116-M118 HydrophobicContact CG2-SD 3.92Å; I116-M118 PolarHBondContact O-N 3.39Å; I116-P135 HydrophobicContact CG2-CG 3.92Å; I116-L136 WeakPolarHBondContact O-CD1 3.37Å; I116-F223 HydrophobicContact CD1-CB 3.83Å; I116-F223 HydrophobicContact CD1-CD1 3.32Å; I116-F223 HydrophobicContact CD1-CE1 4.06Å; I116-F223 HydrophobicContact CD1-CG 3.79Å; I116-F223 HydrophobicContact CG1-CD1 4.5Å
117N87.7Confident92.1Very high96 Ų9658.2 Ų58.251%0.51329%0.286SS..  trans-85.867.5-179.3-64.3-33.2000109.8
118M92.5Very high92.7Very high1 Ų163 Ų631%0.00530%0.304CS..  trans-125104.5-172.3-57.7-17793.300109H67 R70 V71 I74 I116 E134 P135 L136 V225H67-M118 VanDerWaalsContact CE1-CE 3.45Å; H67-M118 WeakPolarHBondContact CE1-CE 3.29Å; H67-M118 WeakPolarHBondContact ND1-CE 3.5Å; R70-M118 HydrophobicContact CB-CE 3.76Å; R70-M118 HydrophobicContact CB-CG 4.17Å; R70-M118 HydrophobicContact CB-SD 4.43Å; V71-M118 HydrophobicContact CG2-CE 3.63Å; I74-M118 HydrophobicContact CD1-CE 4.5Å; I74-M118 HydrophobicContact CD1-CG 4.31Å; I74-M118 HydrophobicContact CD1-SD 3.39Å; I74-M118 WeakPolarHBondContact CD1-SD 3.22Å; I116-M118 HydrophobicContact CG2-CB 4.31Å; I116-M118 HydrophobicContact CG2-CG 4.01Å; I116-M118 HydrophobicContact CG2-SD 3.92Å; I116-M118 PolarHBondContact O-N 3.39Å; M118-E134 VanDerWaalsContact C-CB 3.41Å; M118-E134 WeakPolarHBondContact CA-OE2 3.16Å; M118-E134 HydrophobicContact CB-CB 3.75Å; M118-E134 HydrophobicContact CB-CG 3.94Å; M118-E134 WeakPolarHBondContact O-CB 3.48Å; M118-P135 HydrophobicContact CB-CG 4.09Å; M118-L136 VanDerWaalsContact O-CA 3.29Å; M118-L136 WeakPolarHBondContact O-CA 3.49Å; M118-L136 WeakPolarHBondContact O-CB 3.45Å; M118-L136 WeakPolarHBondContact O-CG 3.28Å; M118-L136 PolarHBondContact O-N 3.38Å; M118-V225 HydrophobicContact CE-CB 4.1Å; M118-V225 HydrophobicContact CE-CG1 4.48Å; M118-V225 HydrophobicContact SD-CB 3.92Å; M118-V225 HydrophobicContact SD-CG1 3.89Å
119M91.6Very high93.2Very high35 Ų3565.9 Ų65.917%0.17232%0.318CS..  trans-136.614.5-167.268.5-143.6-25.200114.7Y50 R53 E134 L136 Q141Y50-M119 HydrophobicContact CE1-CE 3.91Å; R53-M119 VanDerWaalsContact NH2-CG 3.26Å; R53-M119 PolarHBondContact NH2-SD 3.22Å; M119-E134 PolarHBondContact N-OE2 3.3Å; M119-L136 HydrophobicContact CB-CB 3.92Å; M119-Q141 PolarHBondContact O-NE2 2.92Å
120D91.4Very high93.8Very high8 Ų858.8 Ų58.84%0.04329%0.288CS..  trans-98.4151.5-175.3-61.1-30000111.8A63 R70 E134A63-D120 HydrophobicContact CB-CB 3.82Å; R70-D120 IonicContact CZ-OD2 3.46Å; R70-D120 VanDerWaalsContact CZ-OD2 3.25Å; R70-D120 IonicContact NH1-OD2 3.72Å; R70-D120 PolarHBondContact NH1-OD2 3.43Å; R70-D120 IonicContact NH2-OD2 3.17Å; R70-D120 PolarHBondContact NH2-OD2 3.06Å; D120-E134 WeakPolarHBondContact CB-OE2 3.39Å; D120-E134 PolarHBondContact N-OE2 3.03Å; D120-E134 WeakPolarHBondContact O-CB 3.25Å; D120-E134 PolarHBondContact O-N 2.94Å
121I92.9Very high94.3Very high32 Ų3254.3 Ų54.316%0.16426%0.261CS..EExtended strand (participates in β ladder)trans-84.8123.8164.4-58.8171.9000106.3V124 V131 V133 V142 L145I121-V124 HydrophobicContact CG2-CG2 4.43Å; I121-V131 HydrophobicContact CG2-CG2 3.84Å; I121-V133 HydrophobicContact CB-CG1 4.4Å; I121-V133 HydrophobicContact CG1-CG1 4.15Å; I121-V133 HydrophobicContact CG2-CG1 4.1Å; I121-V142 HydrophobicContact CD1-CG2 4.32Å; I121-V142 HydrophobicContact CG1-CG2 4.49Å; I121-L145 HydrophobicContact CB-CD2 4.14Å; I121-L145 HydrophobicContact CD1-CB 3.84Å; I121-L145 HydrophobicContact CD1-CD2 3.55Å; I121-L145 HydrophobicContact CD1-CG 4.36Å; I121-L145 HydrophobicContact CG1-CD2 4.44Å; I121-L145 HydrophobicContact CG2-CD2 3.66Å
122L93.1Very high94.6Very high15 Ų1555 Ų558%0.07926%0.262CS..EExtended strand (participates in β ladder)trans-88.8-44.6-171.1-58.3179.5000111.3H67 R132 E134 A226H67-L122 HydrophobicContact CB-CD1 4.44Å; H67-L122 HydrophobicContact CB-CD2 3.76Å; H67-L122 WeakPolarHBondContact ND1-CD1 3.49Å; L122-R132 WeakPolarHBondContact CA-O 3.45Å; L122-R132 HydrophobicContact CB-CB 4.44Å; L122-R132 HydrophobicContact CB-CG 4.37Å; L122-R132 WeakPolarHBondContact CB-O 3.37Å; L122-R132 HydrophobicContact CD1-CG 4.22Å; L122-R132 PolarHBondContact N-O 3.44Å; L122-E134 HydrophobicContact CD1-CG 4.01Å; L122-E134 HydrophobicContact CD2-CG 3.78Å; L122-E134 HydrophobicContact CG-CG 3.98Å; L122-A226 HydrophobicContact CD1-CB 4.24Å
123E93.5Very high94.7Very high105 Ų10550.9 Ų50.949%0.49124%0.244SC..EExtended strand (participates in β ladder)trans-158.6146.1-174.7-175.2173-162.100111.2V131 R132E123-V131 WeakPolarHBondContact O-CA 3.22Å; E123-V131 WeakPolarHBondContact O-CG2 3.3Å; E123-R132 HydrophobicContact CB-CB 4.32Å; E123-R132 PolarHBondContact N-O 3.26Å; E123-R132 PolarHBondContact O-N 3.09Å
124V96.1Very high94.8Very high38 Ų3847.9 Ų47.923%0.2323%0.228CC..EExtended strand (participates in β ladder)trans-120.3108.4166.3-174.90000107.9I121 T126 V131 L145 L146 I149 I231I121-V124 HydrophobicContact CG2-CG2 4.43Å; V124-T126 HydrophobicContact CG1-CG2 4.31Å; V124-V131 HydrophobicContact CG2-CG2 3.95Å; V124-L145 HydrophobicContact CG2-CD2 3.86Å; V124-L146 HydrophobicContact CG1-CD2 3.94Å; V124-L146 HydrophobicContact CG2-CD2 3.9Å; V124-I149 HydrophobicContact CB-CD1 4.28Å; V124-I149 HydrophobicContact CG1-CD1 3.87Å; V124-I149 HydrophobicContact CG2-CD1 4.24Å; V124-I231 HydrophobicContact CG1-CD1 3.82Å
125D96.8Very high94.9Very high35 Ų3548.2 Ų48.219%0.18723%0.23CC..EExtended strand (participates in β ladder)trans-96.7103.9174.9-172-24.8000109.6K127 R128 Q129 V130D125-K127 VanDerWaalsContact C-N 3.31Å; D125-K127 WeakPolarHBondContact OD1-CA 3.37Å; D125-K127 WeakPolarHBondContact OD1-CB 3.32Å; D125-K127 PolarHBondContact OD1-N 3.18Å; D125-R128 HydrophobicContact CB-CB 4.16Å; D125-R128 PolarHBondContact OD1-N 3.42Å; D125-R128 WeakPolarHBondContact OD2-CD 3.45Å; D125-R128 VanDerWaalsContact OD2-CG 3.27Å; D125-R128 WeakPolarHBondContact OD2-CG 3.43Å; D125-Q129 CarbonylContact O-C 3.54Å; D125-Q129 VanDerWaalsContact O-CA 3.24Å; D125-Q129 WeakPolarHBondContact O-CA 3.48Å; D125-Q129 PolarHBondContact O-N 2.86Å; D125-V130 PolarHBondContact N-O 3.32Å; D125-V130 PolarHBondContact O-N 3.2Å
126T95.9Very high94.9Very high71 Ų7146 Ų4644%0.43622%0.22SC..THydrogen-bonded Turntrans-77.3-16.5179.958.30000113.4V124 W151V124-T126 HydrophobicContact CG1-CG2 4.31Å; T126-W151 HydrophobicContact CG2-CZ2 4.2Å; T126-W151 VanDerWaalsContact CG2-NE1 3.31Å
127K96.3Very high95.1Very high195 Ų19545.4 Ų45.485%0.84822%0.217SC*.THydrogen-bonded Turntrans-81.1-47.5174.7-63.8-177.5179.7179.20110.6D125D125-K127 VanDerWaalsContact C-N 3.31Å; D125-K127 WeakPolarHBondContact OD1-CA 3.37Å; D125-K127 WeakPolarHBondContact OD1-CB 3.32Å; D125-K127 PolarHBondContact OD1-N 3.18Å
128R96.9Very high95.4Very high139 Ų13942.4 Ų42.453%0.52520%0.201SC..THydrogen-bonded Turntrans-76.6-12.9173.8-69.1176.358.9-148.2-6112.8D125 V130 E228D125-R128 HydrophobicContact CB-CB 4.16Å; D125-R128 PolarHBondContact OD1-N 3.42Å; D125-R128 WeakPolarHBondContact OD2-CD 3.45Å; D125-R128 VanDerWaalsContact OD2-CG 3.27Å; D125-R128 WeakPolarHBondContact OD2-CG 3.43Å; R128-V130 VanDerWaalsContact C-N 3.35Å; R128-V130 HydrophobicContact CB-CB 4.5Å; R128-V130 HydrophobicContact CB-CG2 4.44Å; R128-E228 IonicContact CZ-OE2 3.72Å; R128-E228 IonicContact NH1-OE2 2.67Å; R128-E228 IonicContact NH2-OE2 2.79Å; R128-E228 PolarHBondContact NH2-OE2 3.04Å
129Q98.1Very high95.5Very high91 Ų9142.4 Ų42.443%0.42520%0.201SC..THydrogen-bonded Turntrans54.151.4-173.8-58.5-175.5-2100111.5D125 W151 K230 I231D125-Q129 CarbonylContact O-C 3.54Å; D125-Q129 VanDerWaalsContact O-CA 3.24Å; D125-Q129 WeakPolarHBondContact O-CA 3.48Å; D125-Q129 PolarHBondContact O-N 2.86Å; Q129-W151 HydrophobicContact CB-CZ3 4.34Å; Q129-W151 HydrophobicContact CG-CH2 3.77Å; Q129-W151 HydrophobicContact CG-CZ3 3.83Å; Q129-K230 WeakPolarHBondContact O-CA 3.43Å; Q129-I231 HydrophobicContact CB-CG1 4.14Å; Q129-I231 WeakPolarHBondContact O-CG1 3.31Å; Q129-I231 PolarHBondContact O-N 2.98Å
130V98.3Very high95.6Very high11 Ų1141.1 Ų41.17%0.06720%0.197CC..EExtended strand (participates in β ladder)trans-134.7141.1-179.7169.10000110.5D125 R128 V188 E228 I229D125-V130 PolarHBondContact N-O 3.32Å; D125-V130 PolarHBondContact O-N 3.2Å; R128-V130 VanDerWaalsContact C-N 3.35Å; R128-V130 HydrophobicContact CB-CB 4.5Å; R128-V130 HydrophobicContact CB-CG2 4.44Å; V130-V188 HydrophobicContact CG1-CG2 4.28Å; V130-V188 HydrophobicContact CG2-CG2 3.95Å; V130-E228 HydrophobicContact CG1-CB 3.59Å; V130-E228 HydrophobicContact CG1-CG 3.81Å; V130-I229 CarbonylContact C-O 2.87Å; V130-I229 VanDerWaalsContact CA-O 3.3Å; V130-I229 WeakPolarHBondContact CA-O 2.94Å
131V98.1Very high95.7Very high0 Ų042.8 Ų42.80%020%0.204CC..EExtended strand (participates in β ladder)trans-108.5131.1164.965.70000109.6I121 E123 V124 V133 L146 L153 E228 I229 I231I121-V131 HydrophobicContact CG2-CG2 3.84Å; E123-V131 WeakPolarHBondContact O-CA 3.22Å; E123-V131 WeakPolarHBondContact O-CG2 3.3Å; V124-V131 HydrophobicContact CG2-CG2 3.95Å; V131-V133 HydrophobicContact CG1-CG1 4.37Å; V131-V133 HydrophobicContact CG2-CG1 3.7Å; V131-L146 HydrophobicContact CB-CD2 4.26Å; V131-L146 HydrophobicContact CG1-CD1 4.29Å; V131-L146 HydrophobicContact CG2-CD2 4.22Å; V131-L153 HydrophobicContact CG1-CD2 4.05Å; V131-E228 WeakPolarHBondContact O-CA 3.4Å; V131-I229 HydrophobicContact CG1-CB 4Å; V131-I229 PolarHBondContact N-O 2.95Å; V131-I229 PolarHBondContact O-N 3.49Å; V131-I231 HydrophobicContact CB-CG2 3.87Å; V131-I231 HydrophobicContact CG1-CG2 3.69Å
132R97.8Very high95.8Very high44 Ų4441.3 Ų41.317%0.16620%0.197CC..EExtended strand (participates in β ladder)trans-102.2125.5173.5-170.3173.2168-105.8-6109.2H67 L122 E123 E191 A226 A227 E228H67-R132 PolarHBondContact NE2-NH2 2.85Å; H67-R132 VanDerWaalsContact NE2-NH2 3.17Å; L122-R132 WeakPolarHBondContact CA-O 3.45Å; L122-R132 HydrophobicContact CB-CB 4.44Å; L122-R132 HydrophobicContact CB-CG 4.37Å; L122-R132 WeakPolarHBondContact CB-O 3.37Å; L122-R132 HydrophobicContact CD1-CG 4.22Å; L122-R132 PolarHBondContact N-O 3.44Å; E123-R132 HydrophobicContact CB-CB 4.32Å; E123-R132 PolarHBondContact N-O 3.26Å; E123-R132 PolarHBondContact O-N 3.09Å; R132-E191 IonicContact CZ-OE1 3.33Å; R132-E191 IonicContact CZ-OE2 2.94Å; R132-E191 IonicContact NE-OE1 3.07Å; R132-E191 PolarHBondContact NE-OE1 3.01Å; R132-E191 IonicContact NE-OE2 3.3Å; R132-E191 VanDerWaalsContact NH2-CD 3.35Å; R132-E191 IonicContact NH2-OE1 3.22Å; R132-E191 PolarHBondContact NH2-OE1 2.87Å; R132-E191 VanDerWaalsContact NH2-OE1 3.16Å; R132-E191 IonicContact NH2-OE2 3.6Å; R132-E191 PolarHBondContact NH2-OE2 3.26Å; R132-A226 HydrophobicContact CG-CB 4.49Å; R132-A227 WeakPolarHBondContact CA-O 3.36Å; R132-E228 HydrophobicContact CB-CG 3.92Å; R132-E228 HydrophobicContact CG-CG 3.84Å
133V97.2Very high95.9Very high0 Ų040.6 Ų40.60%019%0.193CC..EExtended strand (participates in β ladder)trans-138.5150.7-170.8-61.50000112.2I121 V131 A137 V142 V164 A226 A227 I229I121-V133 HydrophobicContact CB-CG1 4.4Å; I121-V133 HydrophobicContact CG1-CG1 4.15Å; I121-V133 HydrophobicContact CG2-CG1 4.1Å; V131-V133 HydrophobicContact CG1-CG1 4.37Å; V131-V133 HydrophobicContact CG2-CG1 3.7Å; V133-A137 HydrophobicContact CB-CB 4.3Å; V133-V142 HydrophobicContact CG1-CG2 4.4Å; V133-V164 HydrophobicContact CB-CG2 4.49Å; V133-V164 HydrophobicContact CG2-CB 4.13Å; V133-V164 HydrophobicContact CG2-CG1 3.76Å; V133-V164 HydrophobicContact CG2-CG2 3.66Å; V133-A226 CarbonylContact O-C 3.57Å; V133-A226 VanDerWaalsContact O-CA 3.29Å; V133-A226 WeakPolarHBondContact O-CA 3.37Å; V133-A227 PolarHBondContact N-O 3.3Å; V133-A227 PolarHBondContact O-N 3.01Å; V133-I229 HydrophobicContact CG2-CD1 3.83Å
134E97.4Very high95.9Very high0 Ų038 Ų380%019%0.19CC..  trans-76.8154170.3-69.1-173.3146.200111.9H67 R70 M118 M119 D120 L122 L136 A137H67-E134 IonicContact CG-OE1 3.28Å; H67-E134 IonicContact ND1-OE1 2.72Å; H67-E134 PolarHBondContact ND1-OE1 3.05Å; R70-E134 VanDerWaalsContact NH1-CD 3.33Å; R70-E134 IonicContact NH1-OE1 3.17Å; R70-E134 PolarHBondContact NH1-OE1 3.34Å; R70-E134 IonicContact NH1-OE2 2.64Å; R70-E134 PolarHBondContact NH1-OE2 3.04Å; M118-E134 VanDerWaalsContact C-CB 3.41Å; M118-E134 WeakPolarHBondContact CA-OE2 3.16Å; M118-E134 HydrophobicContact CB-CB 3.75Å; M118-E134 HydrophobicContact CB-CG 3.94Å; M118-E134 WeakPolarHBondContact O-CB 3.48Å; M119-E134 PolarHBondContact N-OE2 3.3Å; D120-E134 WeakPolarHBondContact CB-OE2 3.39Å; D120-E134 PolarHBondContact N-OE2 3.03Å; D120-E134 WeakPolarHBondContact O-CB 3.25Å; D120-E134 PolarHBondContact O-N 2.94Å; L122-E134 HydrophobicContact CD1-CG 4.01Å; L122-E134 HydrophobicContact CD2-CG 3.78Å; L122-E134 HydrophobicContact CG-CG 3.98Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.23Å; E134-L136 VanDerWaalsContact O-N 3.16Å; E134-A137 WeakPolarHBondContact O-CB 3.43Å; E134-A137 PolarHBondContact O-N 3.23Å; E134-A137 VanDerWaalsContact O-N 3.07Å
135P96.4Very high95.8Very high6 Ų637.8 Ų37.84%0.03919%0.187CC..THydrogen-bonded Turntrans-62.5-25.8-170.727.2-42.3000115.3I116 M118 T163 G165 L224 V225I116-P135 HydrophobicContact CG2-CG 3.92Å; M118-P135 HydrophobicContact CB-CG 4.09Å; P135-T163 WeakPolarHBondContact O-CB 3.49Å; P135-G165 PolarHBondContact O-N 3.06Å; P135-L224 HydrophobicContact CB-CD2 4.17Å; P135-L224 HydrophobicContact CB-CG 4.38Å; P135-L224 VanDerWaalsContact CG-O 3.3Å; P135-L224 WeakPolarHBondContact CG-O 3.29Å; P135-V225 WeakPolarHBondContact CD-O 3.37Å
136L94.6Very high95.7Very high32 Ų3236.1 Ų36.117%0.16818%0.178CC..THydrogen-bonded Turntrans-97.53.8178.6-49.4-175.9000113.5I116 M118 M119 E134 N138I116-L136 WeakPolarHBondContact O-CD1 3.37Å; M118-L136 VanDerWaalsContact O-CA 3.29Å; M118-L136 WeakPolarHBondContact O-CA 3.49Å; M118-L136 WeakPolarHBondContact O-CB 3.45Å; M118-L136 WeakPolarHBondContact O-CG 3.28Å; M118-L136 PolarHBondContact O-N 3.38Å; M119-L136 HydrophobicContact CB-CB 3.92Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.23Å; E134-L136 VanDerWaalsContact O-N 3.16Å; L136-N138 PolarHBondContact O-N 2.64Å
137A94.1Very high95.7Very high0 Ų034.4 Ų34.40%017%0.167CC..  trans-61.2133.7166.400000108.3V133 E134 V142 T163 V164V133-A137 HydrophobicContact CB-CB 4.3Å; E134-A137 WeakPolarHBondContact O-CB 3.43Å; E134-A137 PolarHBondContact O-N 3.23Å; E134-A137 VanDerWaalsContact O-N 3.07Å; A137-V142 HydrophobicContact CB-CG2 4.46Å; A137-T163 WeakPolarHBondContact O-CA 3.37Å; A137-V164 HydrophobicContact CB-CG2 4.44Å; A137-V164 WeakPolarHBondContact O-CG2 3.3Å; A137-V164 PolarHBondContact O-N 2.91Å
138N93.7Very high95.6Very high33 Ų3329.4 Ų29.418%0.17616%0.156CC..BIsolated β-bridgetrans-104.1163-175.974.223.9000113L136 G140 Q141 V142 D160 L162 T163L136-N138 PolarHBondContact O-N 2.64Å; N138-G140 PolarHBondContact O-N 3.08Å; N138-G140 PolarHBondContact OD1-N 3.01Å; N138-Q141 PolarHBondContact O-N 3.08Å; N138-Q141 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q141 VanDerWaalsContact OD1-CG 3.23Å; N138-Q141 WeakPolarHBondContact OD1-CG 3.38Å; N138-Q141 PolarHBondContact OD1-N 3.1Å; N138-Q141 PolarHBondContact OD1-OE1 2.87Å; N138-V142 WeakPolarHBondContact O-CG2 3.35Å; N138-V142 PolarHBondContact O-N 2.95Å; N138-D160 VanDerWaalsContact CB-O 3.26Å; N138-D160 WeakPolarHBondContact CB-O 3.39Å; N138-D160 PolarHBondContact OD1-O 3.12Å; N138-L162 CarbonylContact C-O 3.57Å; N138-L162 WeakPolarHBondContact CA-O 3.45Å; N138-L162 WeakPolarHBondContact CB-O 3.49Å; N138-T163 HydrophobicContact CB-CG2 4.31Å
139M95.5Very high95.6Very high0 Ų026.7 Ų26.70%015%0.151CC..Hα-helixtrans-61.3-32.8-177.4-64.5-54.594.900112.2T143 L153 L156 D160 L162 V164 L167 F183M139-T143 WeakPolarHBondContact O-CB 3.2Å; M139-T143 WeakPolarHBondContact O-CG2 3.43Å; M139-T143 PolarHBondContact O-N 2.84Å; M139-T143 PolarHBondContact O-OG1 3.35Å; M139-L153 HydrophobicContact SD-CD1 4.42Å; M139-L156 HydrophobicContact SD-CD1 4.06Å; M139-L156 HydrophobicContact SD-CG 4.36Å; M139-D160 PolarHBondContact N-O 3.32Å; M139-L162 HydrophobicContact CG-CB 4.17Å; M139-L162 PolarHBondContact N-O 3.48Å; M139-V164 HydrophobicContact CE-CG2 3.67Å; M139-L167 HydrophobicContact CE-CD1 3.67Å; M139-L167 HydrophobicContact CG-CD1 3.94Å; M139-L167 HydrophobicContact SD-CD1 3.57Å; M139-L167 VanDerWaalsContact SD-CD1 3.57Å; M139-F183 HydrophobicContact CE-CZ 4.29Å; M139-F183 HydrophobicContact SD-CE2 4.12Å; M139-F183 HydrophobicContact SD-CZ 4.43Å
140G93.6Very high95.5Very high9 Ų924.2 Ų24.29%0.09315%0.15CC..Hα-helixtrans-61.5-44.617500000113.1N138 T143 A144 D160 R325N138-G140 PolarHBondContact O-N 3.08Å; N138-G140 PolarHBondContact OD1-N 3.01Å; G140-T143 PolarHBondContact O-OG1 3.46Å; G140-A144 VanDerWaalsContact O-CB 3.22Å; G140-A144 WeakPolarHBondContact O-CB 3.29Å; G140-A144 PolarHBondContact O-N 3.4Å; G140-A144 VanDerWaalsContact O-N 3.12Å; G140-D160 WeakPolarHBondContact CA-OD1 3.34Å; G140-D160 PolarHBondContact N-O 3.34Å; G140-R325 PolarHBondContact O-NH2 3.26Å
141Q92.4Very high95.5Very high43 Ų4325.5 Ų25.520%0.20115%0.154CC..Hα-helixtrans-67.4-48.4176.1-71.2170.9-63.600111.6M119 N138 A144 L145M119-Q141 PolarHBondContact O-NE2 2.92Å; N138-Q141 PolarHBondContact O-N 3.08Å; N138-Q141 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q141 VanDerWaalsContact OD1-CG 3.23Å; N138-Q141 WeakPolarHBondContact OD1-CG 3.38Å; N138-Q141 PolarHBondContact OD1-N 3.1Å; N138-Q141 PolarHBondContact OD1-OE1 2.87Å; Q141-A144 PolarHBondContact O-N 2.92Å; Q141-L145 PolarHBondContact O-N 2.95Å; Q141-L145 VanDerWaalsContact O-N 3.11Å
142V95.5Very high95.5Very high0 Ų025.5 Ų25.50%015%0.154CC..Hα-helixtrans-61.3-48.8-177.4173.10000110.7I121 V133 A137 N138 A144 L145 L146 L153I121-V142 HydrophobicContact CD1-CG2 4.32Å; I121-V142 HydrophobicContact CG1-CG2 4.49Å; V133-V142 HydrophobicContact CG1-CG2 4.4Å; A137-V142 HydrophobicContact CB-CG2 4.46Å; N138-V142 WeakPolarHBondContact O-CG2 3.35Å; N138-V142 PolarHBondContact O-N 2.95Å; V142-A144 PolarHBondContact O-N 2.83Å; V142-L145 PolarHBondContact O-N 2.93Å; V142-L146 HydrophobicContact CG1-CD1 3.63Å; V142-L146 HydrophobicContact CG1-CG 4.21Å; V142-L146 WeakPolarHBondContact O-CB 3.41Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 2.71Å; V142-L153 HydrophobicContact CG1-CD1 4.09Å; V142-L153 HydrophobicContact CG1-CD2 4.26Å; V142-L153 HydrophobicContact CG1-CG 4.17Å
143T95.6Very high95.5Very high0 Ų023.5 Ų23.50%015%0.146CC..Hα-helixtrans-66.4-36.7177.6530000113.5M139 G140 L145 N147 L156 H329M139-T143 WeakPolarHBondContact O-CB 3.2Å; M139-T143 WeakPolarHBondContact O-CG2 3.43Å; M139-T143 PolarHBondContact O-N 2.84Å; M139-T143 PolarHBondContact O-OG1 3.35Å; G140-T143 PolarHBondContact O-OG1 3.46Å; T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.01Å; T143-N147 WeakPolarHBondContact O-CB 3.24Å; T143-N147 PolarHBondContact O-N 2.89Å; T143-L156 HydrophobicContact CG2-CD1 3.3Å; T143-L156 HydrophobicContact CG2-CD2 3.37Å; T143-L156 HydrophobicContact CG2-CG 3.96Å; T143-H329 PolarHBondContact OG1-NE2 2.61Å
144A93.5Very high95.5Very high52 Ų5223.8 Ų23.843%0.4315%0.148SC..Hα-helixtrans-61.5-42.917800000111.2G140 Q141 V142 S148G140-A144 VanDerWaalsContact O-CB 3.22Å; G140-A144 WeakPolarHBondContact O-CB 3.29Å; G140-A144 PolarHBondContact O-N 3.4Å; G140-A144 VanDerWaalsContact O-N 3.12Å; Q141-A144 PolarHBondContact O-N 2.92Å; V142-A144 PolarHBondContact O-N 2.83Å; A144-S148 WeakPolarHBondContact O-CB 3.09Å
145L93.3Very high95.5Very high32 Ų3223.8 Ų23.817%0.16815%0.148CC..Hα-helixtrans-70.4-59.4175.418068.3000111.4F58 I121 V124 Q141 V142 T143 N147 S148F58-L145 HydrophobicContact CE2-CD1 3.97Å; F58-L145 HydrophobicContact CZ-CD1 4.05Å; I121-L145 HydrophobicContact CB-CD2 4.14Å; I121-L145 HydrophobicContact CD1-CB 3.84Å; I121-L145 HydrophobicContact CD1-CD2 3.55Å; I121-L145 HydrophobicContact CD1-CG 4.36Å; I121-L145 HydrophobicContact CG1-CD2 4.44Å; I121-L145 HydrophobicContact CG2-CD2 3.66Å; V124-L145 HydrophobicContact CG2-CD2 3.86Å; Q141-L145 PolarHBondContact O-N 2.95Å; Q141-L145 VanDerWaalsContact O-N 3.11Å; V142-L145 PolarHBondContact O-N 2.93Å; T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.01Å; L145-N147 PolarHBondContact O-N 3.46Å; L145-S148 WeakPolarHBondContact O-CB 3.33Å; L145-S148 PolarHBondContact O-N 2.71Å; L145-S148 VanDerWaalsContact O-N 3.12Å; L145-S148 PolarHBondContact O-OG 2.94Å
146L96.4Very high95.4Very high1 Ų123.5 Ų23.51%0.00515%0.146CC..Hα-helixtrans-60.1-46.9-170.6-67.4-179.1000111.9V124 V131 V142 S148 I149 G150 W151 L153 I231V124-L146 HydrophobicContact CG1-CD2 3.94Å; V124-L146 HydrophobicContact CG2-CD2 3.9Å; V131-L146 HydrophobicContact CB-CD2 4.26Å; V131-L146 HydrophobicContact CG1-CD1 4.29Å; V131-L146 HydrophobicContact CG2-CD2 4.22Å; V142-L146 HydrophobicContact CG1-CD1 3.63Å; V142-L146 HydrophobicContact CG1-CG 4.21Å; V142-L146 WeakPolarHBondContact O-CB 3.41Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 2.71Å; L146-S148 PolarHBondContact O-N 2.84Å; L146-I149 CarbonylContact O-C 3.57Å; L146-I149 WeakPolarHBondContact O-CG1 3.36Å; L146-I149 PolarHBondContact O-N 2.99Å; L146-G150 PolarHBondContact O-N 2.84Å; L146-W151 CarbonylContact C-O 3.51Å; L146-W151 HydrophobicContact CB-CB 4.23Å; L146-W151 VanDerWaalsContact CB-O 3.27Å; L146-W151 WeakPolarHBondContact CB-O 3.18Å; L146-W151 HydrophobicContact CD2-CB 4.31Å; L146-W151 PolarHBondContact O-N 2.91Å; L146-L153 HydrophobicContact CD1-CD2 3.57Å; L146-L153 HydrophobicContact CD1-CG 4.22Å; L146-I231 HydrophobicContact CD1-CG2 3.79Å; L146-I231 HydrophobicContact CD2-CG2 4.21Å
147N95.8Very high95.4Very high35 Ų3522 Ų2219%0.18714%0.139CC..Hα-helixtrans-64.7-29.6-177.9-6812.2000111.4T143 L145 I149 G150 W151 T152T143-N147 WeakPolarHBondContact O-CB 3.24Å; T143-N147 PolarHBondContact O-N 2.89Å; L145-N147 PolarHBondContact O-N 3.46Å; N147-I149 PolarHBondContact O-N 3.03Å; N147-G150 PolarHBondContact O-N 2.75Å; N147-W151 VanDerWaalsContact CA-O 3.28Å; N147-W151 WeakPolarHBondContact CA-O 3.21Å; N147-W151 PolarHBondContact N-O 3.44Å; N147-W151 PolarHBondContact OD1-O 3.47Å; N147-W151 VanDerWaalsContact OD1-O 3.1Å; N147-T152 WeakPolarHBondContact OD1-CB 3.46Å; N147-T152 PolarHBondContact OD1-OG1 3.1Å; N147-T152 VanDerWaalsContact OD1-OG1 3.08Å
148S94Very high95.1Very high90 Ų9022.4 Ų22.463%0.62914%0.14SC*.Hα-helixtrans-67.5-19.7177.377.50000113.9A144 L145 L146A144-S148 WeakPolarHBondContact O-CB 3.09Å; L145-S148 WeakPolarHBondContact O-CB 3.33Å; L145-S148 PolarHBondContact O-N 2.71Å; L145-S148 VanDerWaalsContact O-N 3.12Å; L145-S148 PolarHBondContact O-OG 2.94Å; L146-S148 PolarHBondContact O-N 2.84Å
149I95.3Very high95Very high82 Ų8221.7 Ų21.742%0.42114%0.137SC..THydrogen-bonded Turntrans-114.815.9179.359169.8000112.5V124 L146 N147V124-I149 HydrophobicContact CB-CD1 4.28Å; V124-I149 HydrophobicContact CG1-CD1 3.87Å; V124-I149 HydrophobicContact CG2-CD1 4.24Å; L146-I149 CarbonylContact O-C 3.57Å; L146-I149 WeakPolarHBondContact O-CG1 3.36Å; L146-I149 PolarHBondContact O-N 2.99Å; N147-I149 PolarHBondContact O-N 3.03Å
150G96.9Very high94.8Very high39 Ų3923.7 Ų23.740%0.40215%0.147SC..THydrogen-bonded Turntrans82.119.2174.100000115.6L146 N147 A234L146-G150 PolarHBondContact O-N 2.84Å; N147-G150 PolarHBondContact O-N 2.75Å; G150-A234 PolarHBondContact O-N 2.75Å
151W98.3Very high94.6Very high38 Ų3825.1 Ų25.114%0.14415%0.153CC..EExtended strand (participates in β ladder)trans-123.5160.9179.8-65.595000112T126 Q129 L146 N147 I231 V232 P233T126-W151 HydrophobicContact CG2-CZ2 4.2Å; T126-W151 VanDerWaalsContact CG2-NE1 3.31Å; Q129-W151 HydrophobicContact CB-CZ3 4.34Å; Q129-W151 HydrophobicContact CG-CH2 3.77Å; Q129-W151 HydrophobicContact CG-CZ3 3.83Å; L146-W151 CarbonylContact C-O 3.51Å; L146-W151 HydrophobicContact CB-CB 4.23Å; L146-W151 VanDerWaalsContact CB-O 3.27Å; L146-W151 WeakPolarHBondContact CB-O 3.18Å; L146-W151 HydrophobicContact CD2-CB 4.31Å; L146-W151 PolarHBondContact O-N 2.91Å; N147-W151 VanDerWaalsContact CA-O 3.28Å; N147-W151 WeakPolarHBondContact CA-O 3.21Å; N147-W151 PolarHBondContact N-O 3.44Å; N147-W151 PolarHBondContact OD1-O 3.47Å; N147-W151 VanDerWaalsContact OD1-O 3.1Å; W151-I231 HydrophobicContact CB-CB 4.43Å; W151-I231 HydrophobicContact CB-CD1 3.98Å; W151-I231 HydrophobicContact CD2-CD1 3.63Å; W151-I231 HydrophobicContact CD2-CG1 4.09Å; W151-I231 HydrophobicContact CE3-CB 4.15Å; W151-I231 HydrophobicContact CE3-CD1 3.69Å; W151-I231 HydrophobicContact CE3-CG1 3.59Å; W151-I231 HydrophobicContact CG-CD1 3.74Å; W151-I231 HydrophobicContact CG-CG1 4.49Å; W151-I231 HydrophobicContact CZ3-CD1 4.43Å; W151-I231 HydrophobicContact CZ3-CG1 4.16Å; W151-V232 CarbonylContact C-O 3.59Å; W151-V232 WeakPolarHBondContact CA-O 3.43Å; W151-V232 VanDerWaalsContact CE3-C 3.47Å; W151-P233 HydrophobicContact CZ3-CG 4.06Å
152T97.8Very high94.7Very high0 Ų024.8 Ų24.80%015%0.152CC..EExtended strand (participates in β ladder)trans-154.5176.6172.3-156.70000111.5N147 I231 V232 A234 L324 Y328N147-T152 WeakPolarHBondContact OD1-CB 3.46Å; N147-T152 PolarHBondContact OD1-OG1 3.1Å; N147-T152 VanDerWaalsContact OD1-OG1 3.08Å; T152-I231 CarbonylContact O-C 3.19Å; T152-I231 VanDerWaalsContact O-CA 3.24Å; T152-I231 WeakPolarHBondContact O-CA 3.29Å; T152-I231 WeakPolarHBondContact O-CB 3.19Å; T152-V232 HydrophobicContact CG2-CG2 3.84Å; T152-V232 PolarHBondContact N-O 2.86Å; T152-V232 PolarHBondContact O-N 3.32Å; T152-A234 HydrophobicContact CG2-CB 4.34Å; T152-L324 HydrophobicContact CG2-CD2 4.31Å; T152-Y328 HydrophobicContact CG2-CE2 4.18Å; T152-Y328 WeakPolarHBondContact CG2-OH 3.4Å; T152-Y328 WeakPolarHBondContact OG1-CE2 3.44Å
153L97.9Very high94.7Very high1 Ų125.6 Ų25.61%0.00516%0.157CC..  trans-88.4142.1174.5-57.1-165.9000110.6V131 M139 V142 L146 V155 L156 F183 I186 I229 I231 Y328V131-L153 HydrophobicContact CG1-CD2 4.05Å; M139-L153 HydrophobicContact SD-CD1 4.42Å; V142-L153 HydrophobicContact CG1-CD1 4.09Å; V142-L153 HydrophobicContact CG1-CD2 4.26Å; V142-L153 HydrophobicContact CG1-CG 4.17Å; L146-L153 HydrophobicContact CD1-CD2 3.57Å; L146-L153 HydrophobicContact CD1-CG 4.22Å; L153-V155 VanDerWaalsContact C-N 3.27Å; L153-V155 WeakPolarHBondContact CB-O 3.27Å; L153-V155 PolarHBondContact O-N 3.16Å; L153-L156 HydrophobicContact CB-CB 4.39Å; L153-L156 HydrophobicContact CB-CD1 3.97Å; L153-L156 HydrophobicContact CD1-CD1 3.87Å; L153-L156 HydrophobicContact CG-CD1 3.88Å; L153-F183 HydrophobicContact CD1-CE2 3.79Å; L153-F183 HydrophobicContact CD1-CZ 4.07Å; L153-I186 HydrophobicContact CB-CD1 4.3Å; L153-I229 HydrophobicContact CD1-CG2 4.39Å; L153-I229 HydrophobicContact CD2-CG2 4.07Å; L153-I231 HydrophobicContact CD2-CG2 3.94Å; L153-Y328 PolarHBondContact O-OH 3.42Å
154P96.9Very high94.7Very high6 Ų625.6 Ų25.64%0.03916%0.157CC..SBendtrans-61.6-35.5174.1-9.214.1000113S176 Y180 I186 K230 V232P154-S176 WeakPolarHBondContact O-CB 3.36Å; P154-S176 PolarHBondContact O-OG 2.95Å; P154-Y180 HydrophobicContact CB-CD1 3.77Å; P154-Y180 HydrophobicContact CB-CD2 3.84Å; P154-Y180 HydrophobicContact CB-CE1 3.93Å; P154-Y180 HydrophobicContact CB-CE2 4.02Å; P154-Y180 HydrophobicContact CB-CG 3.72Å; P154-Y180 WeakPolarHBondContact O-CD2 3.3Å; P154-I186 HydrophobicContact CB-CG2 3.93Å; P154-I186 HydrophobicContact CG-CB 4.22Å; P154-I186 HydrophobicContact CG-CD1 4.41Å; P154-I186 HydrophobicContact CG-CG2 3.84Å; P154-K230 WeakPolarHBondContact CD-O 3.43Å; P154-K230 HydrophobicContact CG-CB 4.42Å; P154-V232 HydrophobicContact CB-CG1 4.37Å; P154-V232 HydrophobicContact CG-CG1 3.93Å; P154-V232 HydrophobicContact CG-CG2 4.44Å
155V97.4Very high94.9Very high0 Ų023.3 Ų23.30%014%0.139CC..SBendtrans-123.6123.4174.7-179.10000107.7L153 E174 S177 Y180 F183 I186L153-V155 VanDerWaalsContact C-N 3.27Å; L153-V155 WeakPolarHBondContact CB-O 3.27Å; L153-V155 PolarHBondContact O-N 3.16Å; V155-E174 HydrophobicContact CG1-CB 4.23Å; V155-S177 WeakPolarHBondContact CG1-OG 3.23Å; V155-Y180 HydrophobicContact CG2-CG 4.39Å; V155-F183 HydrophobicContact CG1-CD2 4.5Å; V155-I186 HydrophobicContact CB-CD1 3.97Å; V155-I186 HydrophobicContact CG2-CG2 3.99Å; V155-I186 WeakPolarHBondContact O-CD1 3.23Å
156L95.6Very high94.9Very high0 Ų023.7 Ų23.70%015%0.151CC..  trans-138.696.3-176.9-169.4109.4000112.6M139 T143 L153 E174 Y328M139-L156 HydrophobicContact SD-CD1 4.06Å; M139-L156 HydrophobicContact SD-CG 4.36Å; T143-L156 HydrophobicContact CG2-CD1 3.3Å; T143-L156 HydrophobicContact CG2-CD2 3.37Å; T143-L156 HydrophobicContact CG2-CG 3.96Å; L153-L156 HydrophobicContact CB-CB 4.39Å; L153-L156 HydrophobicContact CB-CD1 3.97Å; L153-L156 HydrophobicContact CD1-CD1 3.87Å; L153-L156 HydrophobicContact CG-CD1 3.88Å; L156-E174 VanDerWaalsContact O-CG 3.23Å; L156-E174 WeakPolarHBondContact O-CG 3.46Å; L156-Y328 HydrophobicContact CB-CD1 3.79Å; L156-Y328 HydrophobicContact CB-CE1 3.88Å; L156-Y328 HydrophobicContact CB-CG 4.35Å; L156-Y328 HydrophobicContact CD2-CD1 3.62Å; L156-Y328 HydrophobicContact CD2-CD2 3.96Å; L156-Y328 HydrophobicContact CD2-CE1 4.42Å; L156-Y328 HydrophobicContact CD2-CG 3.37Å; L156-Y328 HydrophobicContact CG-CD1 4.33Å; L156-Y328 HydrophobicContact CG-CG 4.44Å
157P93.3Very high94.9Very high2 Ų224 Ų241%0.01315%0.152CC..  trans-53140.8174.7-29.839.8000113L159 L162 L167 F183P157-L159 PolarHBondContact O-N 2.8Å; P157-L162 HydrophobicContact CB-CD1 3.68Å; P157-L167 HydrophobicContact CB-CD1 4.25Å; P157-L167 HydrophobicContact CB-CD2 4.02Å; P157-L167 HydrophobicContact CG-CD1 3.76Å; P157-L167 HydrophobicContact CG-CD2 3.73Å; P157-L167 HydrophobicContact CG-CG 4.34Å; P157-F183 HydrophobicContact CG-CD2 4.27Å
158E88.9Confident95Very high7 Ų722.3 Ų22.33%0.03314%0.143CC..SBendtrans-76.9-10-158.756.5-88.4-98.300117.2E174 Y328 H329 H331 T332 F336 W411E158-E174 VanDerWaalsContact CB-OE2 3.23Å; E158-E174 WeakPolarHBondContact CB-OE2 3.46Å; E158-E174 PolarHBondContact N-OE2 2.91Å; E158-Y328 WeakPolarHBondContact CA-O 3.34Å; E158-Y328 WeakPolarHBondContact CB-O 3.34Å; E158-H329 WeakPolarHBondContact O-CA 3.36Å; E158-H331 HydrophobicContact CB-CB 4.1Å; E158-H331 HydrophobicContact CG-CB 3.75Å; E158-H331 IonicContact OE1-CD2 3.77Å; E158-T332 PolarHBondContact O-OG1 2.82Å; E158-F336 HydrophobicContact CG-CE1 4.18Å; E158-F336 HydrophobicContact CG-CE2 4.17Å; E158-F336 HydrophobicContact CG-CZ 3.7Å; E158-F336 WeakPolarHBondContact OE1-CE1 3.49Å; E158-F336 WeakPolarHBondContact OE1-CZ 3.27Å; E158-W411 VanDerWaalsContact OE1-CH2 3.29Å; E158-W411 WeakPolarHBondContact OE1-CH2 3.4Å; E158-W411 WeakPolarHBondContact OE1-CZ2 3.35Å
159L91.5Very high95.1Very high19 Ų1919.1 Ų19.110%0.09912%0.118CC..  trans-100.6122.3-177-59.2-177.3000110.8P157 D161 L162 H331 T332 F336P157-L159 PolarHBondContact O-N 2.8Å; L159-D161 PolarHBondContact O-N 3.07Å; L159-D161 VanDerWaalsContact O-N 3.09Å; L159-L162 HydrophobicContact CB-CD1 3.74Å; L159-L162 HydrophobicContact CB-CG 3.81Å; L159-L162 HydrophobicContact CD1-CD1 4.45Å; L159-L162 HydrophobicContact CG-CD1 4.27Å; L159-L162 WeakPolarHBondContact O-CB 3.34Å; L159-L162 PolarHBondContact O-N 3.22Å; L159-L162 VanDerWaalsContact O-N 3.08Å; L159-H331 HydrophobicContact CD2-CB 4.38Å; L159-T332 WeakPolarHBondContact CA-OG1 3.24Å; L159-F336 HydrophobicContact CD1-CE2 4.31Å; L159-F336 HydrophobicContact CD2-CE2 4.44Å; L159-F336 HydrophobicContact CG-CE2 4.39Å
160D91.3Very high95Very high41 Ų4116 Ų1622%0.21911%0.107CC..THydrogen-bonded Turntrans-50.4-39.4-178.8-88.8-38.4000112.9N138 M139 G140 L162 R325 H329 T332N138-D160 VanDerWaalsContact CB-O 3.26Å; N138-D160 WeakPolarHBondContact CB-O 3.39Å; N138-D160 PolarHBondContact OD1-O 3.12Å; M139-D160 PolarHBondContact N-O 3.32Å; G140-D160 WeakPolarHBondContact CA-OD1 3.34Å; G140-D160 PolarHBondContact N-O 3.34Å; D160-L162 PolarHBondContact O-N 2.82Å; D160-R325 IonicContact OD1-NH2 3.63Å; D160-R325 PolarHBondContact OD1-NH2 2.99Å; D160-H329 IonicContact OD1-CD2 2.95Å; D160-H329 IonicContact OD1-CE1 3.25Å; D160-H329 PolarHBondContact OD1-CE1 3.28Å; D160-H329 IonicContact OD1-CG 2.94Å; D160-H329 IonicContact OD1-ND1 2.84Å; D160-H329 PolarHBondContact OD1-ND1 2.78Å; D160-H329 VanDerWaalsContact OD1-ND1 3.07Å; D160-H329 IonicContact OD1-NE2 2.71Å; D160-H329 PolarHBondContact OD1-NE2 2.7Å; D160-T332 HydrophobicContact CB-CG2 4.1Å; D160-T332 PolarHBondContact N-OG1 3Å; D160-T332 VanDerWaalsContact N-OG1 3.08Å
161D90.2Very high94.7Very high40 Ų4014.9 Ų14.921%0.2149%0.092CC..THydrogen-bonded Turntrans-82-4.4-173.7-75.7-22.1000114.4V100 L159 T163 K362V100-D161 HydrophobicContact CG2-CB 4.2Å; L159-D161 PolarHBondContact O-N 3.07Å; L159-D161 VanDerWaalsContact O-N 3.09Å; D161-T163 PolarHBondContact O-N 2.95Å; D161-K362 IonicContact OD1-NZ 3.72Å; D161-K362 PolarHBondContact OD1-NZ 3.31Å; D161-K362 VanDerWaalsContact OD2-CD 3.27Å; D161-K362 WeakPolarHBondContact OD2-CD 3.35Å; D161-K362 IonicContact OD2-NZ 2.65Å; D161-K362 PolarHBondContact OD2-NZ 2.67Å
162L93.1Very high94.5Very high36 Ų3613.2 Ų13.219%0.1889%0.087CC..  trans-68.6128.3176.2-70.7170.6000110.4V100 N138 M139 P157 L159 D160 L167V100-L162 HydrophobicContact CB-CD2 4.22Å; V100-L162 HydrophobicContact CG1-CD2 4.06Å; V100-L162 HydrophobicContact CG2-CD2 4.24Å; N138-L162 CarbonylContact C-O 3.57Å; N138-L162 WeakPolarHBondContact CA-O 3.45Å; N138-L162 WeakPolarHBondContact CB-O 3.49Å; M139-L162 HydrophobicContact CG-CB 4.17Å; M139-L162 PolarHBondContact N-O 3.48Å; P157-L162 HydrophobicContact CB-CD1 3.68Å; L159-L162 HydrophobicContact CB-CD1 3.74Å; L159-L162 HydrophobicContact CB-CG 3.81Å; L159-L162 HydrophobicContact CD1-CD1 4.45Å; L159-L162 HydrophobicContact CG-CD1 4.27Å; L159-L162 WeakPolarHBondContact O-CB 3.34Å; L159-L162 PolarHBondContact O-N 3.22Å; L159-L162 VanDerWaalsContact O-N 3.08Å; D160-L162 PolarHBondContact O-N 2.82Å; L162-L167 HydrophobicContact CB-CD1 4.4Å; L162-L167 HydrophobicContact CB-CD2 4.27Å; L162-L167 HydrophobicContact CB-CG 4.46Å; L162-L167 HydrophobicContact CD1-CD2 4.27Å
163T95.4Very high94.5Very high16 Ų1613.5 Ų13.510%0.0989%0.088CC..BIsolated β-bridgetrans-98.3144-175.7550000112.1R94 P135 A137 N138 D161 G165 G166 L167R94-T163 VanDerWaalsContact NH1-CG2 3.32Å; R94-T163 PolarHBondContact NH1-OG1 3.38Å; R94-T163 VanDerWaalsContact NH1-OG1 3.1Å; P135-T163 WeakPolarHBondContact O-CB 3.49Å; A137-T163 WeakPolarHBondContact O-CA 3.37Å; N138-T163 HydrophobicContact CB-CG2 4.31Å; D161-T163 PolarHBondContact O-N 2.95Å; T163-G165 VanDerWaalsContact C-N 3.32Å; T163-G165 PolarHBondContact O-N 3.25Å; T163-G166 WeakPolarHBondContact O-CA 3.37Å; T163-G166 PolarHBondContact O-N 2.96Å; T163-L167 PolarHBondContact O-N 2.69Å; T163-L167 VanDerWaalsContact O-N 3.08Å
164V97Very high94.4Very high0 Ų013.4 Ų13.40%09%0.088CC..Hα-helixtrans-49-49.5-179.4172.60000112.5V133 A137 M139 G166 L167 V168 F183 A227 I229V133-V164 HydrophobicContact CB-CG2 4.49Å; V133-V164 HydrophobicContact CG2-CB 4.13Å; V133-V164 HydrophobicContact CG2-CG1 3.76Å; V133-V164 HydrophobicContact CG2-CG2 3.66Å; A137-V164 HydrophobicContact CB-CG2 4.44Å; A137-V164 WeakPolarHBondContact O-CG2 3.3Å; A137-V164 PolarHBondContact O-N 2.91Å; M139-V164 HydrophobicContact CE-CG2 3.67Å; V164-G166 PolarHBondContact O-N 3.43Å; V164-L167 PolarHBondContact O-N 2.95Å; V164-L167 VanDerWaalsContact O-N 3.08Å; V164-V168 HydrophobicContact CG1-CG2 4.12Å; V164-V168 WeakPolarHBondContact O-CG2 3.43Å; V164-V168 PolarHBondContact O-N 2.9Å; V164-F183 HydrophobicContact CG1-CE1 4.45Å; V164-A227 HydrophobicContact CG1-CB 3.98Å; V164-I229 HydrophobicContact CG1-CD1 3.92Å; V164-I229 HydrophobicContact CG2-CD1 4.29Å
165G96.1Very high94.4Very high5 Ų513.1 Ų13.15%0.0529%0.086CC..Hα-helixtrans-65.9-27-178.700000113.8P135 T163 M169P135-G165 PolarHBondContact O-N 3.06Å; T163-G165 VanDerWaalsContact C-N 3.32Å; T163-G165 PolarHBondContact O-N 3.25Å; G165-M169 WeakPolarHBondContact O-CB 3.27Å; G165-M169 VanDerWaalsContact O-CE 3.3Å; G165-M169 WeakPolarHBondContact O-CE 3.48Å; G165-M169 PolarHBondContact O-N 3.3Å; G165-M169 VanDerWaalsContact O-N 3.08Å
166G94.6Very high94.5Very high40 Ų4013.2 Ų13.241%0.4129%0.086SC..Hα-helixtrans-71.9-39.2172.400000112.1T163 V164 G170T163-G166 WeakPolarHBondContact O-CA 3.37Å; T163-G166 PolarHBondContact O-N 2.96Å; V164-G166 PolarHBondContact O-N 3.43Å; G166-G170 WeakPolarHBondContact O-CA 3.34Å; G166-G170 PolarHBondContact O-N 3.01Å
167L96.3Very high94.6Very high6 Ų613.2 Ų13.23%0.0319%0.086CC..Hα-helixtrans-72.4-37.1178.1-62.3176.4000112.4M139 P157 L162 T163 V164 T171 F183M139-L167 HydrophobicContact CE-CD1 3.67Å; M139-L167 HydrophobicContact CG-CD1 3.94Å; M139-L167 HydrophobicContact SD-CD1 3.57Å; M139-L167 VanDerWaalsContact SD-CD1 3.57Å; P157-L167 HydrophobicContact CB-CD1 4.25Å; P157-L167 HydrophobicContact CB-CD2 4.02Å; P157-L167 HydrophobicContact CG-CD1 3.76Å; P157-L167 HydrophobicContact CG-CD2 3.73Å; P157-L167 HydrophobicContact CG-CG 4.34Å; L162-L167 HydrophobicContact CB-CD1 4.4Å; L162-L167 HydrophobicContact CB-CD2 4.27Å; L162-L167 HydrophobicContact CB-CG 4.46Å; L162-L167 HydrophobicContact CD1-CD2 4.27Å; T163-L167 PolarHBondContact O-N 2.69Å; T163-L167 VanDerWaalsContact O-N 3.08Å; V164-L167 PolarHBondContact O-N 2.95Å; V164-L167 VanDerWaalsContact O-N 3.08Å; L167-T171 WeakPolarHBondContact CA-O 3.42Å; L167-T171 WeakPolarHBondContact CD2-O 3.15Å; L167-T171 CarbonylContact O-C 3.57Å; L167-T171 VanDerWaalsContact O-C 3.26Å; L167-F183 HydrophobicContact CB-CB 4.37Å; L167-F183 HydrophobicContact CB-CD1 3.55Å; L167-F183 HydrophobicContact CB-CD2 4.36Å; L167-F183 HydrophobicContact CB-CE1 3.83Å; L167-F183 HydrophobicContact CB-CG 3.84Å; L167-F183 HydrophobicContact CB-CZ 4.33Å; L167-F183 HydrophobicContact CD1-CD1 4.49Å; L167-F183 HydrophobicContact CD1-CD2 4.04Å; L167-F183 HydrophobicContact CD1-CE1 4.3Å; L167-F183 HydrophobicContact CD1-CE2 3.82Å; L167-F183 HydrophobicContact CD1-CG 4.36Å; L167-F183 HydrophobicContact CD1-CZ 3.95Å
168V96.8Very high94.8Very high0 Ų013.3 Ų13.30%09%0.086CC..Hα-helixtrans-67.8-57.6175.4169.60000110.9V164 F183 Y190 V214 P215 L224V164-V168 HydrophobicContact CG1-CG2 4.12Å; V164-V168 WeakPolarHBondContact O-CG2 3.43Å; V164-V168 PolarHBondContact O-N 2.9Å; V168-F183 HydrophobicContact CG2-CD1 4.23Å; V168-F183 HydrophobicContact CG2-CE1 4.1Å; V168-Y190 HydrophobicContact CB-CE1 4.3Å; V168-Y190 HydrophobicContact CG1-CD1 3.98Å; V168-Y190 HydrophobicContact CG1-CE1 3.37Å; V168-Y190 HydrophobicContact CG1-CE2 4.41Å; V168-Y190 HydrophobicContact CG2-CE1 3.87Å; V168-V214 HydrophobicContact CG1-CG1 3.84Å; V168-P215 VanDerWaalsContact O-CA 3.29Å; V168-P215 WeakPolarHBondContact O-CA 3.35Å; V168-L224 HydrophobicContact CB-CD2 4.33Å; V168-L224 HydrophobicContact CG1-CD2 4.3Å
169M95.8Very high95.2Very high23 Ų2315.1 Ų15.111%0.11310%0.098CC..Hα-helixtrans-90.3-12-170.3-62.6-179.8-72.900113.9G165 V214 W216 S217 C218 G219 L224G165-M169 WeakPolarHBondContact O-CB 3.27Å; G165-M169 VanDerWaalsContact O-CE 3.3Å; G165-M169 WeakPolarHBondContact O-CE 3.48Å; G165-M169 PolarHBondContact O-N 3.3Å; G165-M169 VanDerWaalsContact O-N 3.08Å; M169-V214 HydrophobicContact CG-CG1 4.06Å; M169-W216 CarbonylContact O-C 3.55Å; M169-W216 WeakPolarHBondContact O-CA 3.39Å; M169-W216 PolarHBondContact O-N 3.45Å; M169-S217 PolarHBondContact O-N 3.06Å; M169-C218 WeakPolarHBondContact O-CA 3.33Å; M169-C218 PolarHBondContact O-N 2.8Å; M169-G219 WeakPolarHBondContact SD-CA 3.44Å; M169-L224 HydrophobicContact CE-CB 3.78Å; M169-L224 HydrophobicContact CE-CD2 4.17Å; M169-L224 HydrophobicContact SD-CB 3.99Å
170G93.3Very high95.5Very high17 Ų1718.3 Ų18.318%0.17511%0.11CC..THydrogen-bonded Turntrans-99.2-85.6173.900000109.9G166G166-G170 WeakPolarHBondContact O-CA 3.34Å; G166-G170 PolarHBondContact O-N 3.01Å
171T92.3Very high95.7Very high16 Ų1616.5 Ų16.510%0.09810%0.1CC..  trans-174.2160.5171.6-1770000108.1L167 W216 M470L167-T171 WeakPolarHBondContact CA-O 3.42Å; L167-T171 WeakPolarHBondContact CD2-O 3.15Å; L167-T171 CarbonylContact O-C 3.57Å; L167-T171 VanDerWaalsContact O-C 3.26Å; T171-W216 HydrophobicContact CG2-CH2 4.38Å; T171-W216 HydrophobicContact CG2-CZ2 4.5Å; T171-W216 WeakPolarHBondContact OG1-CZ2 3.4Å; T171-M470 HydrophobicContact CG2-CB 4.18Å; T171-M470 HydrophobicContact CG2-CE 3.86Å; T171-M470 HydrophobicContact CG2-CG 3.78Å; T171-M470 HydrophobicContact CG2-SD 3.43Å; T171-M470 WeakPolarHBondContact CG2-SD 3.24Å
172G93.9Very high96.1Very high3 Ų314.6 Ų14.63%0.0319%0.09CC..  trans-152.3126170.500000110L182 F183G172-L182 CarbonylContact O-C 3.48Å; G172-L182 WeakPolarHBondContact O-CA 3.37Å; G172-F183 PolarHBondContact O-N 3.49Å
173I96.1Very high96.3Very high5 Ų512.9 Ų12.93%0.0268%0.081CC..  trans-132.6150.2178.2-168.3-175.9000108.2L182 W411 C413 F415 D437 M470I173-L182 HydrophobicContact CB-CD2 4Å; I173-L182 HydrophobicContact CG1-CD2 4.16Å; I173-W411 HydrophobicContact CG2-CH2 3.82Å; I173-W411 HydrophobicContact CG2-CZ3 3.98Å; I173-C413 HydrophobicContact CD1-CB 4.02Å; I173-C413 WeakPolarHBondContact CD1-O 3.39Å; I173-F415 HydrophobicContact CD1-CB 3.7Å; I173-F415 HydrophobicContact CD1-CD1 3.24Å; I173-F415 HydrophobicContact CD1-CE1 4.05Å; I173-F415 HydrophobicContact CD1-CG 3.71Å; I173-F415 HydrophobicContact CG1-CB 3.91Å; I173-F415 HydrophobicContact CG1-CD1 4.29Å; I173-F415 HydrophobicContact CG1-CG 4.3Å; I173-D437 HydrophobicContact CD1-CB 3.65Å; I173-D437 HydrophobicContact CG2-CB 4.49Å; I173-M470 HydrophobicContact CB-CE 4.29Å; I173-M470 HydrophobicContact CG2-CE 3.42Å; I173-M470 VanDerWaalsContact CG2-CE 3.42Å
174E96.8Very high96.4Very high0 Ų012.7 Ų12.70%08%0.079CC..  trans-155.5171170.6-176.552.5-108.500110V155 L156 E158 S176 S177 R330 C413V155-E174 HydrophobicContact CG1-CB 4.23Å; L156-E174 VanDerWaalsContact O-CG 3.23Å; L156-E174 WeakPolarHBondContact O-CG 3.46Å; E158-E174 VanDerWaalsContact CB-OE2 3.23Å; E158-E174 WeakPolarHBondContact CB-OE2 3.46Å; E158-E174 PolarHBondContact N-OE2 2.91Å; E174-S176 PolarHBondContact O-N 3.31Å; E174-S177 PolarHBondContact N-OG 2.64Å; E174-S177 WeakPolarHBondContact O-CA 3.17Å; E174-S177 WeakPolarHBondContact O-CB 3.37Å; E174-S177 PolarHBondContact O-N 2.8Å; E174-S177 PolarHBondContact O-OG 2.86Å; E174-S177 VanDerWaalsContact O-OG 3.1Å; E174-R330 IonicContact OE1-CZ 3.7Å; E174-R330 IonicContact OE1-NH1 2.76Å; E174-R330 PolarHBondContact OE1-NH1 3.08Å; E174-R330 IonicContact OE1-NH2 3.6Å; E174-R330 PolarHBondContact OE1-NH2 3.26Å; E174-R330 IonicContact OE2-NH1 3.62Å; E174-C413 PolarHBondContact O-SG 3.08Å
175S97.5Very high96.4Very high0 Ų015.8 Ų15.80%09%0.093CC..THydrogen-bonded Turntrans-45.4-23.7178.352.10000117.2H178 F266 V267 Y327 C413S175-H178 PolarHBondContact O-ND1 3.32Å; S175-F266 CarbonylContact O-C 3.5Å; S175-F266 WeakPolarHBondContact O-CA 3.23Å; S175-F266 WeakPolarHBondContact OG-CD1 3.48Å; S175-V267 WeakPolarHBondContact CA-O 3.35Å; S175-V267 WeakPolarHBondContact CB-O 3.44Å; S175-V267 PolarHBondContact O-N 3.22Å; S175-Y327 PolarHBondContact OG-OH 2.58Å; S175-C413 PolarHBondContact N-SG 3.08Å
176S98Very high96.5Very high1 Ų115.8 Ų15.81%0.0079%0.092CC..THydrogen-bonded Turntrans-91.4-3.4173.558.30000114.7P154 E174 H178 V179 Y180 T265P154-S176 WeakPolarHBondContact O-CB 3.36Å; P154-S176 PolarHBondContact O-OG 2.95Å; E174-S176 PolarHBondContact O-N 3.31Å; S176-H178 PolarHBondContact O-N 3.29Å; S176-V179 PolarHBondContact O-N 2.9Å; S176-Y180 WeakPolarHBondContact O-CD2 3.5Å; S176-Y180 PolarHBondContact O-N 2.87Å; S176-T265 VanDerWaalsContact CA-O 3.27Å; S176-T265 WeakPolarHBondContact CA-O 3.21Å; S176-T265 VanDerWaalsContact CB-O 3.3Å; S176-T265 WeakPolarHBondContact CB-O 3.23Å
177S98.3Very high96.7Very high0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-65.4-20.8-177.6-73.40000113.5V155 E174 V179 G181 P414 F415 L416V155-S177 WeakPolarHBondContact CG1-OG 3.23Å; E174-S177 PolarHBondContact N-OG 2.64Å; E174-S177 WeakPolarHBondContact O-CA 3.17Å; E174-S177 WeakPolarHBondContact O-CB 3.37Å; E174-S177 PolarHBondContact O-N 2.8Å; E174-S177 PolarHBondContact O-OG 2.86Å; E174-S177 VanDerWaalsContact O-OG 3.1Å; S177-V179 PolarHBondContact O-N 2.84Å; S177-G181 WeakPolarHBondContact CA-O 3.04Å; S177-G181 WeakPolarHBondContact CB-O 3.39Å; S177-G181 WeakPolarHBondContact O-CA 3.42Å; S177-G181 PolarHBondContact O-N 2.84Å; S177-G181 PolarHBondContact OG-O 3.42Å; S177-P414 CarbonylContact C-O 3.57Å; S177-F415 WeakPolarHBondContact O-CA 3.43Å; S177-L416 PolarHBondContact O-N 3.44Å
178H97.9Very high96.8Very high4 Ų415.7 Ų15.72%0.0198%0.084CC..Hα-helixtrans-66.7-16.7171.475.3-74.9000113.1S175 S176 S259 N264 P414 L416 L434S175-H178 PolarHBondContact O-ND1 3.32Å; S176-H178 PolarHBondContact O-N 3.29Å; H178-S259 PolarHBondContact CD2-O 2.73Å; H178-N264 PolarHBondContact CE1-O 2.86Å; H178-N264 PolarHBondContact NE2-O 2.76Å; H178-P414 HydrophobicContact CB-CB 3.93Å; H178-P414 HydrophobicContact CB-CG 3.94Å; H178-P414 PolarHBondContact N-O 2.92Å; H178-L416 WeakPolarHBondContact O-CB 3.43Å; H178-L434 HydrophobicContact CB-CD1 4.12Å
179V97.2Very high96.8Very high46 Ų4615.7 Ų15.728%0.2798%0.084SC..Hα-helixtrans-99-46.1173.9-178.20000111.3S176 S177S176-V179 PolarHBondContact O-N 2.9Å; S177-V179 PolarHBondContact O-N 2.84Å
180Y97.1Very high97Very high86 Ų8614.6 Ų14.634%0.3378%0.079SC..Hα-helixtrans-105.4-4.4-168.7-60.7-73.5000114.3P154 V155 S176P154-Y180 HydrophobicContact CB-CD1 3.77Å; P154-Y180 HydrophobicContact CB-CD2 3.84Å; P154-Y180 HydrophobicContact CB-CE1 3.93Å; P154-Y180 HydrophobicContact CB-CE2 4.02Å; P154-Y180 HydrophobicContact CB-CG 3.72Å; P154-Y180 WeakPolarHBondContact O-CD2 3.3Å; V155-Y180 HydrophobicContact CG2-CG 4.39Å; S176-Y180 WeakPolarHBondContact O-CD2 3.5Å; S176-Y180 PolarHBondContact O-N 2.87Å
181G96.9Very high97.2Very high2 Ų214.9 Ų14.92%0.0218%0.075CC..  trans71.3-152.6-171.100000113.6S177 L416S177-G181 WeakPolarHBondContact CA-O 3.04Å; S177-G181 WeakPolarHBondContact CB-O 3.39Å; S177-G181 WeakPolarHBondContact O-CA 3.42Å; S177-G181 PolarHBondContact O-N 2.84Å; S177-G181 PolarHBondContact OG-O 3.42Å; G181-L416 WeakPolarHBondContact CA-O 3.29Å
182L97.4Very high97.5Very high0 Ų014.2 Ų14.20%07%0.071CC..SBendtrans-79163.9-178.7-60.8173.6000112G172 I173 Q184 H185 W216 F415 L417G172-L182 CarbonylContact O-C 3.48Å; G172-L182 WeakPolarHBondContact O-CA 3.37Å; I173-L182 HydrophobicContact CB-CD2 4Å; I173-L182 HydrophobicContact CG1-CD2 4.16Å; L182-Q184 VanDerWaalsContact CB-CD 3.46Å; L182-Q184 PolarHBondContact O-N 3.04Å; L182-Q184 VanDerWaalsContact O-N 3.11Å; L182-H185 PolarHBondContact N-ND1 3.09Å; L182-H185 WeakPolarHBondContact O-CB 3.04Å; L182-H185 PolarHBondContact O-N 2.7Å; L182-W216 HydrophobicContact CD1-CZ2 4.45Å; L182-F415 HydrophobicContact CD1-CD2 4.36Å; L182-F415 HydrophobicContact CD1-CE2 4.22Å; L182-F415 HydrophobicContact CD2-CB 4.3Å; L182-F415 HydrophobicContact CD2-CD2 3.65Å; L182-F415 HydrophobicContact CD2-CE2 4.06Å; L182-F415 HydrophobicContact CD2-CG 3.98Å; L182-F415 HydrophobicContact CG-CD2 3.89Å; L182-F415 HydrophobicContact CG-CE2 4.24Å; L182-L417 HydrophobicContact CD1-CD1 3.97Å
183F97.9Very high97.8Very high0 Ų014.1 Ų14.10%07%0.07CC..G310 helixtrans-54.8-33.6-177-168.9-90.5000113.1M139 L153 V155 P157 V164 L167 V168 G172 H185 I186 C187 I229M139-F183 HydrophobicContact CE-CZ 4.29Å; M139-F183 HydrophobicContact SD-CE2 4.12Å; M139-F183 HydrophobicContact SD-CZ 4.43Å; L153-F183 HydrophobicContact CD1-CE2 3.79Å; L153-F183 HydrophobicContact CD1-CZ 4.07Å; V155-F183 HydrophobicContact CG1-CD2 4.5Å; P157-F183 HydrophobicContact CG-CD2 4.27Å; V164-F183 HydrophobicContact CG1-CE1 4.45Å; L167-F183 HydrophobicContact CB-CB 4.37Å; L167-F183 HydrophobicContact CB-CD1 3.55Å; L167-F183 HydrophobicContact CB-CD2 4.36Å; L167-F183 HydrophobicContact CB-CE1 3.83Å; L167-F183 HydrophobicContact CB-CG 3.84Å; L167-F183 HydrophobicContact CB-CZ 4.33Å; L167-F183 HydrophobicContact CD1-CD1 4.49Å; L167-F183 HydrophobicContact CD1-CD2 4.04Å; L167-F183 HydrophobicContact CD1-CE1 4.3Å; L167-F183 HydrophobicContact CD1-CE2 3.82Å; L167-F183 HydrophobicContact CD1-CG 4.36Å; L167-F183 HydrophobicContact CD1-CZ 3.95Å; V168-F183 HydrophobicContact CG2-CD1 4.23Å; V168-F183 HydrophobicContact CG2-CE1 4.1Å; G172-F183 PolarHBondContact O-N 3.49Å; F183-H185 VanDerWaalsContact C-N 3.26Å; F183-H185 PolarHBondContact O-N 2.88Å; F183-I186 HydrophobicContact CD2-CD1 4.15Å; F183-I186 HydrophobicContact CE2-CD1 4.22Å; F183-I186 WeakPolarHBondContact O-CG1 3.29Å; F183-I186 PolarHBondContact O-N 3.26Å; F183-C187 PolarHBondContact O-SG 3.13Å; F183-I229 HydrophobicContact CE1-CD1 4.07Å; F183-I229 HydrophobicContact CZ-CD1 3.85Å
184Q96.8Very high97.9Very high13 Ų1314.3 Ų14.36%0.0617%0.071CC..G310 helixtrans-66-25.7175.770.9-84.811.900113.9L182 I186 C187 P215L182-Q184 VanDerWaalsContact CB-CD 3.46Å; L182-Q184 PolarHBondContact O-N 3.04Å; L182-Q184 VanDerWaalsContact O-N 3.11Å; Q184-I186 PolarHBondContact O-N 2.9Å; Q184-C187 WeakPolarHBondContact O-CB 3.49Å; Q184-C187 PolarHBondContact O-N 3.13Å; Q184-P215 HydrophobicContact CB-CB 3.85Å; Q184-P215 HydrophobicContact CB-CG 3.61Å; Q184-P215 HydrophobicContact CG-CB 3.77Å; Q184-P215 HydrophobicContact CG-CG 3.81Å
185H97.4Very high97.8Very high64 Ų6414.7 Ų14.730%0.2967%0.074SC..G310 helixtrans-74.8-16.6-179-56.1148.3000112.6L182 F183 P418L182-H185 PolarHBondContact N-ND1 3.09Å; L182-H185 WeakPolarHBondContact O-CB 3.04Å; L182-H185 PolarHBondContact O-N 2.7Å; F183-H185 VanDerWaalsContact C-N 3.26Å; F183-H185 PolarHBondContact O-N 2.88Å; H185-P418 WeakPolarHBondContact CE1-CD 3.47Å
186I98Very high97.7Very high5 Ų518.1 Ų18.13%0.0269%0.092CC..G310 helixtrans-92.9-3.7172.464.1159.5000112.6L153 P154 V155 F183 Q184 I229 K230L153-I186 HydrophobicContact CB-CD1 4.3Å; P154-I186 HydrophobicContact CB-CG2 3.93Å; P154-I186 HydrophobicContact CG-CB 4.22Å; P154-I186 HydrophobicContact CG-CD1 4.41Å; P154-I186 HydrophobicContact CG-CG2 3.84Å; V155-I186 HydrophobicContact CB-CD1 3.97Å; V155-I186 HydrophobicContact CG2-CG2 3.99Å; V155-I186 WeakPolarHBondContact O-CD1 3.23Å; F183-I186 HydrophobicContact CD2-CD1 4.15Å; F183-I186 HydrophobicContact CE2-CD1 4.22Å; F183-I186 WeakPolarHBondContact O-CG1 3.29Å; F183-I186 PolarHBondContact O-N 3.26Å; Q184-I186 PolarHBondContact O-N 2.9Å; I186-I229 HydrophobicContact CB-CG2 4.49Å; I186-I229 HydrophobicContact CD1-CG2 3.6Å; I186-I229 HydrophobicContact CG1-CG2 3.88Å; I186-K230 PolarHBondContact O-N 3.12Å
187C98.3Very high97.7Very high6 Ų618 Ų184%0.0419%0.092CC..EExtended strand (participates in β ladder)trans-81.5143.5172-61.60000110.5F183 Q184 Y190 E228F183-C187 PolarHBondContact O-SG 3.13Å; Q184-C187 WeakPolarHBondContact O-CB 3.49Å; Q184-C187 PolarHBondContact O-N 3.13Å; C187-Y190 HydrophobicContact CB-CE1 3.52Å; C187-Y190 WeakPolarHBondContact CB-OH 3.35Å; C187-E228 CarbonylContact C-O 3.55Å; C187-E228 WeakPolarHBondContact CA-O 3.31Å
188V98.4Very high97.7Very high38 Ų3819.7 Ų19.723%0.2310%0.103CC..EExtended strand (participates in β ladder)trans-118.4-17.8179.6-62.90000113.3V130 E228 K230V130-V188 HydrophobicContact CG1-CG2 4.28Å; V130-V188 HydrophobicContact CG2-CG2 3.95Å; V188-E228 HydrophobicContact CG2-CB 3.6Å; V188-E228 PolarHBondContact N-O 2.87Å; V188-K230 HydrophobicContact CG1-CD 4.13Å; V188-K230 HydrophobicContact CG1-CG 3.63Å
189A98.7Very high97.7Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-155.6152.8173.500000112.2C202 T203 A227 E228A189-C202 CarbonylContact C-O 3.6Å; A189-C202 VanDerWaalsContact CA-O 3.24Å; A189-C202 WeakPolarHBondContact CA-O 3.25Å; A189-T203 HydrophobicContact CB-CG2 3.74Å; A189-A227 WeakPolarHBondContact O-CA 3.3Å; A189-E228 HydrophobicContact CB-CB 3.97Å; A189-E228 HydrophobicContact CB-CG 4.37Å; A189-E228 PolarHBondContact O-N 3.3Å
190Y98.8Very high97.8Very high1 Ų122.4 Ų22.40%0.00412%0.117CC..EExtended strand (participates in β ladder)trans-126.7149.3167.2-51.2-57000110.4V168 C187 R201 C202 F211 V214 P215 L224 A227V168-Y190 HydrophobicContact CB-CE1 4.3Å; V168-Y190 HydrophobicContact CG1-CD1 3.98Å; V168-Y190 HydrophobicContact CG1-CE1 3.37Å; V168-Y190 HydrophobicContact CG1-CE2 4.41Å; V168-Y190 HydrophobicContact CG2-CE1 3.87Å; C187-Y190 HydrophobicContact CB-CE1 3.52Å; C187-Y190 WeakPolarHBondContact CB-OH 3.35Å; Y190-R201 CarbonylContact O-C 3.59Å; Y190-R201 WeakPolarHBondContact O-CA 3.43Å; Y190-C202 PolarHBondContact N-O 3.06Å; Y190-C202 PolarHBondContact O-N 3.25Å; Y190-F211 AromaticContact CD2-CD2 3.56Å; Y190-F211 HydrophobicContact CD2-CD2 3.56Å; Y190-F211 AromaticContact CD2-CE2 3.92Å; Y190-F211 HydrophobicContact CD2-CE2 3.92Å; Y190-F211 AromaticContact CE2-CD2 3.58Å; Y190-F211 HydrophobicContact CE2-CD2 3.58Å; Y190-F211 AromaticContact CE2-CE2 3.59Å; Y190-F211 HydrophobicContact CE2-CE2 3.59Å; Y190-F211 HydrophobicContact CE2-CG 4.45Å; Y190-F211 HydrophobicContact CE2-CZ 4.48Å; Y190-F211 HydrophobicContact CG-CD2 4.5Å; Y190-V214 HydrophobicContact CD2-CB 3.96Å; Y190-V214 HydrophobicContact CD2-CG1 3.83Å; Y190-V214 HydrophobicContact CD2-CG2 4.38Å; Y190-V214 HydrophobicContact CE2-CB 4.16Å; Y190-V214 HydrophobicContact CE2-CG1 4.03Å; Y190-V214 HydrophobicContact CG-CG1 4.2Å; Y190-P215 HydrophobicContact CE2-CG 4.46Å; Y190-L224 HydrophobicContact CD1-CD1 4.04Å; Y190-L224 HydrophobicContact CG-CD1 4.19Å; Y190-A227 HydrophobicContact CD1-CB 4Å; Y190-A227 HydrophobicContact CE1-CB 4.35Å
191E98.6Very high97.8Very high23 Ų2321.4 Ų21.411%0.10711%0.112CC..EExtended strand (participates in β ladder)trans-118.8129.2168.3-68.6168.9-159.400108.7H67 R132 L199 V200 R201 V225 A226H67-E191 IonicContact NE2-OE2 3.82Å; R132-E191 IonicContact CZ-OE1 3.33Å; R132-E191 IonicContact CZ-OE2 2.94Å; R132-E191 IonicContact NE-OE1 3.07Å; R132-E191 PolarHBondContact NE-OE1 3.01Å; R132-E191 IonicContact NE-OE2 3.3Å; R132-E191 VanDerWaalsContact NH2-CD 3.35Å; R132-E191 IonicContact NH2-OE1 3.22Å; R132-E191 PolarHBondContact NH2-OE1 2.87Å; R132-E191 VanDerWaalsContact NH2-OE1 3.16Å; R132-E191 IonicContact NH2-OE2 3.6Å; R132-E191 PolarHBondContact NH2-OE2 3.26Å; E191-L199 HydrophobicContact CB-CD1 4.44Å; E191-V200 CarbonylContact C-O 3.26Å; E191-V200 WeakPolarHBondContact CA-O 3.41Å; E191-R201 HydrophobicContact CG-CB 4.34Å; E191-R201 HydrophobicContact CG-CG 4.31Å; E191-R201 IonicContact OE1-NH1 2.86Å; E191-R201 PolarHBondContact OE1-NH1 3.46Å; E191-V225 HydrophobicContact CB-CG2 3.76Å; E191-V225 WeakPolarHBondContact O-CG2 3.03Å; E191-V225 PolarHBondContact O-N 2.78Å; E191-A226 HydrophobicContact CB-CB 4.12Å; E191-A226 HydrophobicContact CG-CB 4.4Å; E191-A226 PolarHBondContact N-O 3.44Å; E191-A226 PolarHBondContact O-N 3.21Å
192L98.5Very high97.9Very high2 Ų221.3 Ų21.31%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-129.5140.3-176.2-63.999.9000111.7L194 L199 V200 L210 V214 F223 L224L192-L194 HydrophobicContact CB-CD2 4.09Å; L192-L199 WeakPolarHBondContact O-CA 3.39Å; L192-V200 PolarHBondContact N-O 3.06Å; L192-V200 PolarHBondContact O-N 2.85Å; L192-L210 HydrophobicContact CD1-CD2 4.23Å; L192-V214 HydrophobicContact CD1-CG2 3.86Å; L192-V214 HydrophobicContact CD2-CG2 3.75Å; L192-V214 HydrophobicContact CG-CG2 4.46Å; L192-F223 CarbonylContact C-O 3.52Å; L192-F223 VanDerWaalsContact CA-O 3.28Å; L192-F223 WeakPolarHBondContact CA-O 3.44Å; L192-L224 HydrophobicContact CG-CD1 4.43Å
193V98.5Very high97.9Very high0 Ų022.4 Ų22.40%012%0.118CC..EExtended strand (participates in β ladder)trans-88.8116159.6179.10000108.6V71 I74 Q75 V78 S198 L199 G222 F223 V225V71-V193 HydrophobicContact CG1-CG2 4.17Å; I74-V193 HydrophobicContact CB-CG2 4.47Å; I74-V193 HydrophobicContact CG2-CB 3.97Å; I74-V193 HydrophobicContact CG2-CG1 4.09Å; I74-V193 HydrophobicContact CG2-CG2 3.97Å; Q75-V193 HydrophobicContact CG-CG1 3.92Å; Q75-V193 HydrophobicContact CG-CG2 3.89Å; V78-V193 HydrophobicContact CG2-CG1 4.14Å; V193-S198 CarbonylContact C-O 3.57Å; V193-S198 VanDerWaalsContact CA-O 3.29Å; V193-S198 WeakPolarHBondContact CA-O 3.45Å; V193-L199 HydrophobicContact CG2-CD1 4.2Å; V193-G222 WeakPolarHBondContact O-CA 3.49Å; V193-F223 HydrophobicContact CB-CB 4.38Å; V193-F223 PolarHBondContact N-O 2.83Å; V193-F223 PolarHBondContact O-N 3.05Å; V193-V225 HydrophobicContact CG2-CG1 3.89Å
194L98.1Very high97.9Very high10 Ų1027.5 Ų27.55%0.05214%0.142CC..  trans-82.1175.5-176.4-58.6-173.4000112.4L192 D196 G197 S198 V200 L210 L498L192-L194 HydrophobicContact CB-CD2 4.09Å; L194-D196 PolarHBondContact O-N 3.25Å; L194-G197 PolarHBondContact O-N 2.89Å; L194-S198 PolarHBondContact N-O 3.3Å; L194-V200 HydrophobicContact CD1-CB 4.15Å; L194-V200 HydrophobicContact CD1-CG2 3.54Å; L194-V200 HydrophobicContact CG-CB 4.34Å; L194-V200 HydrophobicContact CG-CG2 4.06Å; L194-L210 HydrophobicContact CD2-CD2 4.18Å; L194-L498 HydrophobicContact CD1-CD2 4.16Å
195A96.3Very high97.9Very high7 Ų735.9 Ų35.96%0.05818%0.181CC..THydrogen-bonded Turntrans-59.2-28.3-178.700000114.1V78 G197 A503 F504V78-A195 WeakPolarHBondContact CG1-O 3.32Å; A195-G197 VanDerWaalsContact C-N 3.31Å; A195-A503 HydrophobicContact CB-CB 3.44Å; A195-A503 VanDerWaalsContact CB-CB 3.44Å; A195-F504 HydrophobicContact CB-CE2 4Å
196D95.7Very high97.9Very high72 Ų7237.1 Ų37.139%0.38519%0.187SC..THydrogen-bonded Turntrans-83.5-7.4177.172.2-17.9000113.4L194 S198L194-D196 PolarHBondContact O-N 3.25Å; D196-S198 VanDerWaalsContact OD1-CB 3.22Å; D196-S198 WeakPolarHBondContact OD1-CB 3.41Å; D196-S198 PolarHBondContact OD1-N 2.65Å; D196-S198 PolarHBondContact OD1-OG 2.94Å; D196-S198 PolarHBondContact OD2-OG 3.37Å
197G97Very high97.9Very high0 Ų041 Ų410%021%0.208CC..SBendtrans83.111.4-175.900000114.3Q75 R79 L194 A195Q75-G197 WeakPolarHBondContact CG-O 3.48Å; Q75-G197 PolarHBondContact NE2-O 2.75Å; Q75-G197 VanDerWaalsContact NE2-O 3.1Å; R79-G197 PolarHBondContact NH2-O 3.38Å; L194-G197 PolarHBondContact O-N 2.89Å; A195-G197 VanDerWaalsContact C-N 3.31Å
198S97.9Very high97.9Very high35 Ų3541.6 Ų41.625%0.24521%0.213CC..  trans-72.4150.8167.865.40000110.6V193 L194 D196V193-S198 CarbonylContact C-O 3.57Å; V193-S198 VanDerWaalsContact CA-O 3.29Å; V193-S198 WeakPolarHBondContact CA-O 3.45Å; L194-S198 PolarHBondContact N-O 3.3Å; D196-S198 VanDerWaalsContact OD1-CB 3.22Å; D196-S198 WeakPolarHBondContact OD1-CB 3.41Å; D196-S198 PolarHBondContact OD1-N 2.65Å; D196-S198 PolarHBondContact OD1-OG 2.94Å; D196-S198 PolarHBondContact OD2-OG 3.37Å
199L98.4Very high97.9Very high79 Ų7941.9 Ų41.941%0.41421%0.213SC..EExtended strand (participates in β ladder)trans-100.6123.9170.117568.2000107.2V71 E191 L192 V193 V225V71-L199 HydrophobicContact CG1-CD1 3.88Å; V71-L199 HydrophobicContact CG1-CD2 3.91Å; V71-L199 HydrophobicContact CG1-CG 4.36Å; E191-L199 HydrophobicContact CB-CD1 4.44Å; L192-L199 WeakPolarHBondContact O-CA 3.39Å; V193-L199 HydrophobicContact CG2-CD1 4.2Å; L199-V225 HydrophobicContact CD1-CG2 3.74Å
200V98.2Very high97.8Very high28 Ų2842.3 Ų42.317%0.1722%0.215CC..EExtended strand (participates in β ladder)trans-124.3138.8-179.6173.20000109.4E191 L192 L194 N207 L210E191-V200 CarbonylContact C-O 3.26Å; E191-V200 WeakPolarHBondContact CA-O 3.41Å; L192-V200 PolarHBondContact N-O 3.06Å; L192-V200 PolarHBondContact O-N 2.85Å; L194-V200 HydrophobicContact CD1-CB 4.15Å; L194-V200 HydrophobicContact CD1-CG2 3.54Å; L194-V200 HydrophobicContact CG-CB 4.34Å; L194-V200 HydrophobicContact CG-CG2 4.06Å; V200-N207 HydrophobicContact CG1-CB 4.25Å; V200-N207 WeakPolarHBondContact CG1-ND2 3.2Å; V200-L210 HydrophobicContact CG1-CD2 4.13Å
201R98.4Very high97.8Very high64 Ų6443.1 Ų43.124%0.24222%0.219CC..EExtended strand (participates in β ladder)trans-99.6137.4166.9-177.7177.2176.784.1-3109.1Y190 E191 T203 N207 E228Y190-R201 CarbonylContact O-C 3.59Å; Y190-R201 WeakPolarHBondContact O-CA 3.43Å; E191-R201 HydrophobicContact CG-CB 4.34Å; E191-R201 HydrophobicContact CG-CG 4.31Å; E191-R201 IonicContact OE1-NH1 2.86Å; E191-R201 PolarHBondContact OE1-NH1 3.46Å; R201-T203 HydrophobicContact CG-CG2 4.47Å; R201-N207 PolarHBondContact O-ND2 3.43Å; R201-E228 IonicContact CZ-OE1 3.81Å; R201-E228 IonicContact NH1-OE1 3.99Å; R201-E228 PolarHBondContact NH1-OE1 3.16Å; R201-E228 IonicContact NH2-OE1 3.81Å; R201-E228 PolarHBondContact NH2-OE1 3.14Å; R201-E228 IonicContact NH2-OE2 3.95Å; R201-E228 PolarHBondContact NH2-OE2 3.35Å; R201-E228 VanDerWaalsContact NH2-OE2 3.07Å
202C98.5Very high97.8Very high0 Ų043.9 Ų43.90%022%0.222CC..EExtended strand (participates in β ladder)trans-129.5141.717161.40000111.8A189 Y190 E206 N207 L210 F211A189-C202 CarbonylContact C-O 3.6Å; A189-C202 VanDerWaalsContact CA-O 3.24Å; A189-C202 WeakPolarHBondContact CA-O 3.25Å; Y190-C202 PolarHBondContact N-O 3.06Å; Y190-C202 PolarHBondContact O-N 3.25Å; C202-E206 CarbonylContact C-O 3.48Å; C202-E206 WeakPolarHBondContact CA-O 3.37Å; C202-N207 HydrophobicContact CB-CB 3.69Å; C202-N207 WeakPolarHBondContact CB-O 3.3Å; C202-L210 HydrophobicContact CB-CB 4.19Å; C202-L210 HydrophobicContact CB-CD2 4.35Å; C202-L210 HydrophobicContact CB-CG 4.33Å; C202-F211 HydrophobicContact CB-CB 3.96Å
203T98.4Very high97.7Very high24 Ų2443.9 Ų43.915%0.14722%0.222CC..EExtended strand (participates in β ladder)trans-141.6-177.8179.569.80000108.5A189 R201 E205 E206 S208 F211A189-T203 HydrophobicContact CB-CG2 3.74Å; R201-T203 HydrophobicContact CG-CG2 4.47Å; T203-E205 PolarHBondContact O-N 2.65Å; T203-E205 PolarHBondContact OG1-N 3.35Å; T203-E206 PolarHBondContact N-O 3.21Å; T203-E206 VanDerWaalsContact O-O 3.04Å; T203-E206 WeakPolarHBondContact OG1-CB 3.44Å; T203-E206 PolarHBondContact OG1-N 3.07Å; T203-S208 WeakPolarHBondContact O-CA 3.3Å; T203-F211 VanDerWaalsContact O-CB 3.26Å; T203-F211 WeakPolarHBondContact O-CB 3.45Å
204E96.3Very high97.7Very high106 Ų10643.9 Ų43.950%0.49522%0.222SC..SBendtrans-59.6-26.9173.1-166.159.6-141.100113.1S208 F211 H212E204-S208 VanDerWaalsContact C-OG 3.29Å; E204-S208 WeakPolarHBondContact O-CB 3.43Å; E204-S208 PolarHBondContact O-OG 2.94Å; E204-F211 WeakPolarHBondContact OE2-CE1 3.34Å; E204-H212 IonicContact OE1-CD2 2.82Å; E204-H212 IonicContact OE1-CE1 2.66Å; E204-H212 IonicContact OE1-NE2 3.26Å; E204-H212 PolarHBondContact OE1-NE2 3.36Å; E204-H212 IonicContact OE2-CE1 3.73Å; E204-H212 PolarHBondContact OE2-CE1 3.13Å; E204-H212 IonicContact OE2-NE2 2.83Å; E204-H212 PolarHBondContact OE2-NE2 3.16Å
205E97.6Very high97.7Very high190 Ų19044 Ų4489%0.88822%0.223SC*.SBendtrans-108.4-28.6-175.5-64175.4-173.400112.7T203T203-E205 PolarHBondContact O-N 2.65Å; T203-E205 PolarHBondContact OG1-N 3.35Å
206E97.8Very high97.7Very high89 Ų8943.8 Ų43.842%0.41622%0.221SC..SBendtrans-109.1124.9-177.2-176.3-172.3178.600110.1C202 T203 S208C202-E206 CarbonylContact C-O 3.48Å; C202-E206 WeakPolarHBondContact CA-O 3.37Å; T203-E206 PolarHBondContact N-O 3.21Å; T203-E206 VanDerWaalsContact O-O 3.04Å; T203-E206 WeakPolarHBondContact OG1-CB 3.44Å; T203-E206 PolarHBondContact OG1-N 3.07Å; E206-S208 PolarHBondContact O-N 2.94Å
207N97.6Very high97.7Very high86 Ų8640.4 Ų40.446%0.4620%0.203SC..SBendtrans49.241.9-177-62.8-63.1000112.6V200 R201 C202 D209 L210 F211V200-N207 HydrophobicContact CG1-CB 4.25Å; V200-N207 WeakPolarHBondContact CG1-ND2 3.2Å; R201-N207 PolarHBondContact O-ND2 3.43Å; C202-N207 HydrophobicContact CB-CB 3.69Å; C202-N207 WeakPolarHBondContact CB-O 3.3Å; N207-D209 VanDerWaalsContact C-N 3.33Å; N207-D209 PolarHBondContact O-N 3.05Å; N207-L210 HydrophobicContact CB-CB 4.49Å; N207-L210 WeakPolarHBondContact O-CA 3.48Å; N207-L210 WeakPolarHBondContact O-CB 3.43Å; N207-L210 PolarHBondContact O-N 3.43Å; N207-F211 PolarHBondContact O-N 3.26Å; N207-F211 VanDerWaalsContact O-N 3.13Å
208S97.8Very high97.6Very high20 Ų2041.7 Ų41.714%0.1421%0.212CC..Hα-helixtrans-64.3-34.1-164.8-168.40000113.6T203 E204 E206 L210 F211 H212 R421T203-S208 WeakPolarHBondContact O-CA 3.3Å; E204-S208 VanDerWaalsContact C-OG 3.29Å; E204-S208 WeakPolarHBondContact O-CB 3.43Å; E204-S208 PolarHBondContact O-OG 2.94Å; E206-S208 PolarHBondContact O-N 2.94Å; S208-L210 PolarHBondContact O-N 2.98Å; S208-F211 WeakPolarHBondContact O-CB 3.24Å; S208-F211 PolarHBondContact O-N 2.66Å; S208-F211 VanDerWaalsContact O-N 3.1Å; S208-H212 PolarHBondContact O-CD2 2.87Å; S208-H212 VanDerWaalsContact O-CD2 3.24Å; S208-H212 PolarHBondContact O-N 2.82Å; S208-R421 PolarHBondContact O-NH2 3.4Å; S208-R421 PolarHBondContact OG-NH2 3.19Å
209D98.1Very high97.4Very high43 Ų4340.2 Ų40.223%0.2320%0.202CC..Hα-helixtrans-53.3-44.7171-79.919.5000111N207 H212 A213 R421 L490 K493 L494N207-D209 VanDerWaalsContact C-N 3.33Å; N207-D209 PolarHBondContact O-N 3.05Å; D209-H212 PolarHBondContact O-N 2.83Å; D209-A213 WeakPolarHBondContact O-CB 3.35Å; D209-A213 PolarHBondContact O-N 3.26Å; D209-A213 VanDerWaalsContact O-N 3.13Å; D209-R421 IonicContact OD1-CZ 2.82Å; D209-R421 IonicContact OD1-NH1 3.98Å; D209-R421 PolarHBondContact OD1-NH1 3.07Å; D209-R421 IonicContact OD1-NH2 3.53Å; D209-L490 HydrophobicContact CB-CD1 3.85Å; D209-K493 IonicContact OD2-NZ 3.46Å; D209-K493 PolarHBondContact OD2-NZ 2.87Å; D209-L494 HydrophobicContact CB-CD1 4.31Å; D209-L494 HydrophobicContact CB-CD2 4.1Å; D209-L494 WeakPolarHBondContact O-CD1 3.19Å
210L98.1Very high97.3Very high9 Ų936.4 Ų36.45%0.04718%0.182CC..Hα-helixtrans-68.5-40177.5-177.361.6000111.9L192 L194 V200 C202 N207 S208 H212 A213 V214 L221 L494 L498L192-L210 HydrophobicContact CD1-CD2 4.23Å; L194-L210 HydrophobicContact CD2-CD2 4.18Å; V200-L210 HydrophobicContact CG1-CD2 4.13Å; C202-L210 HydrophobicContact CB-CB 4.19Å; C202-L210 HydrophobicContact CB-CD2 4.35Å; C202-L210 HydrophobicContact CB-CG 4.33Å; N207-L210 HydrophobicContact CB-CB 4.49Å; N207-L210 WeakPolarHBondContact O-CA 3.48Å; N207-L210 WeakPolarHBondContact O-CB 3.43Å; N207-L210 PolarHBondContact O-N 3.43Å; S208-L210 PolarHBondContact O-N 2.98Å; L210-H212 VanDerWaalsContact C-N 3.29Å; L210-H212 PolarHBondContact O-N 2.82Å; L210-A213 PolarHBondContact O-N 2.94Å; L210-V214 HydrophobicContact CD1-CG2 3.97Å; L210-V214 HydrophobicContact CG-CG2 4.15Å; L210-V214 VanDerWaalsContact O-CG2 3.22Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.07Å; L210-L221 HydrophobicContact CD1-CB 4.37Å; L210-L221 HydrophobicContact CD1-CD1 4.39Å; L210-L494 HydrophobicContact CB-CD1 4.48Å; L210-L494 HydrophobicContact CD1-CD1 4.43Å; L210-L498 HydrophobicContact CD1-CD1 4.05Å
211F98.4Very high97.3Very high19 Ų1935.1 Ų35.18%0.08318%0.175CC..Hα-helixtrans-55.7-44.8176.8178.2-106.7000112Y190 C202 T203 E204 N207 S208 P215Y190-F211 AromaticContact CD2-CD2 3.56Å; Y190-F211 HydrophobicContact CD2-CD2 3.56Å; Y190-F211 AromaticContact CD2-CE2 3.92Å; Y190-F211 HydrophobicContact CD2-CE2 3.92Å; Y190-F211 AromaticContact CE2-CD2 3.58Å; Y190-F211 HydrophobicContact CE2-CD2 3.58Å; Y190-F211 AromaticContact CE2-CE2 3.59Å; Y190-F211 HydrophobicContact CE2-CE2 3.59Å; Y190-F211 HydrophobicContact CE2-CG 4.45Å; Y190-F211 HydrophobicContact CE2-CZ 4.48Å; Y190-F211 HydrophobicContact CG-CD2 4.5Å; C202-F211 HydrophobicContact CB-CB 3.96Å; T203-F211 VanDerWaalsContact O-CB 3.26Å; T203-F211 WeakPolarHBondContact O-CB 3.45Å; E204-F211 WeakPolarHBondContact OE2-CE1 3.34Å; N207-F211 PolarHBondContact O-N 3.26Å; N207-F211 VanDerWaalsContact O-N 3.13Å; S208-F211 WeakPolarHBondContact O-CB 3.24Å; S208-F211 PolarHBondContact O-N 2.66Å; S208-F211 VanDerWaalsContact O-N 3.1Å; F211-P215 VanDerWaalsContact O-CD 3.3Å; F211-P215 WeakPolarHBondContact O-CD 3.45Å
212H97.6Very high97.2Very high39 Ų3932.1 Ų32.118%0.18116%0.163CC..Hα-helixtrans-75.7-23.3179.1-75.6-80.3000114.1E204 S208 D209 L210 R421 G422 L490E204-H212 IonicContact OE1-CD2 2.82Å; E204-H212 IonicContact OE1-CE1 2.66Å; E204-H212 IonicContact OE1-NE2 3.26Å; E204-H212 PolarHBondContact OE1-NE2 3.36Å; E204-H212 IonicContact OE2-CE1 3.73Å; E204-H212 PolarHBondContact OE2-CE1 3.13Å; E204-H212 IonicContact OE2-NE2 2.83Å; E204-H212 PolarHBondContact OE2-NE2 3.16Å; S208-H212 PolarHBondContact O-CD2 2.87Å; S208-H212 VanDerWaalsContact O-CD2 3.24Å; S208-H212 PolarHBondContact O-N 2.82Å; D209-H212 PolarHBondContact O-N 2.83Å; L210-H212 VanDerWaalsContact C-N 3.29Å; L210-H212 PolarHBondContact O-N 2.82Å; H212-R421 HydrophobicContact CB-CG 3.71Å; H212-R421 PolarHBondContact CD2-NE 2.62Å; H212-R421 PolarHBondContact CD2-NH2 2.96Å; H212-G422 VanDerWaalsContact O-CA 3.23Å; H212-G422 WeakPolarHBondContact O-CA 3.47Å; H212-L490 HydrophobicContact CB-CD2 3.91Å
213A97.7Very high97.2Very high1 Ų132.2 Ų32.21%0.00816%0.164CC..Hα-helixtrans-92.4-18-178.700000114.8D209 L210 L221 L490 L494D209-A213 WeakPolarHBondContact O-CB 3.35Å; D209-A213 PolarHBondContact O-N 3.26Å; D209-A213 VanDerWaalsContact O-N 3.13Å; L210-A213 PolarHBondContact O-N 2.94Å; A213-L221 HydrophobicContact CB-CD1 3.66Å; A213-L221 WeakPolarHBondContact O-CD1 3.21Å; A213-L490 HydrophobicContact CB-CD2 4.18Å; A213-L490 HydrophobicContact CB-CG 4.12Å; A213-L494 HydrophobicContact CB-CD1 3.31Å
214V97.9Very high97.2Very high0 Ų031.3 Ų31.30%016%0.158CC..SBendtrans-61.6-44.7178.6161.80000112.6V168 M169 Y190 L192 L210 S217V168-V214 HydrophobicContact CG1-CG1 3.84Å; M169-V214 HydrophobicContact CG-CG1 4.06Å; Y190-V214 HydrophobicContact CD2-CB 3.96Å; Y190-V214 HydrophobicContact CD2-CG1 3.83Å; Y190-V214 HydrophobicContact CD2-CG2 4.38Å; Y190-V214 HydrophobicContact CE2-CB 4.16Å; Y190-V214 HydrophobicContact CE2-CG1 4.03Å; Y190-V214 HydrophobicContact CG-CG1 4.2Å; L192-V214 HydrophobicContact CD1-CG2 3.86Å; L192-V214 HydrophobicContact CD2-CG2 3.75Å; L192-V214 HydrophobicContact CG-CG2 4.46Å; L210-V214 HydrophobicContact CD1-CG2 3.97Å; L210-V214 HydrophobicContact CG-CG2 4.15Å; L210-V214 VanDerWaalsContact O-CG2 3.22Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.07Å; V214-S217 VanDerWaalsContact O-CB 3.25Å; V214-S217 WeakPolarHBondContact O-CB 2.98Å; V214-S217 PolarHBondContact O-N 3.44Å; V214-S217 PolarHBondContact O-OG 3Å
215P97.5Very high97.3Very high13 Ų1326.2 Ų26.28%0.08413%0.134CC..THydrogen-bonded Turntrans-56.9143.9174.3-2636.5000112.3V168 Q184 Y190 F211 S217V168-P215 VanDerWaalsContact O-CA 3.29Å; V168-P215 WeakPolarHBondContact O-CA 3.35Å; Q184-P215 HydrophobicContact CB-CB 3.85Å; Q184-P215 HydrophobicContact CB-CG 3.61Å; Q184-P215 HydrophobicContact CG-CB 3.77Å; Q184-P215 HydrophobicContact CG-CG 3.81Å; Y190-P215 HydrophobicContact CE2-CG 4.46Å; F211-P215 VanDerWaalsContact O-CD 3.3Å; F211-P215 WeakPolarHBondContact O-CD 3.45Å; P215-S217 PolarHBondContact O-N 2.88Å
216W96.7Very high97.3Very high2 Ų217.2 Ų17.21%0.0089%0.092CC..THydrogen-bonded Turntrans62.7-7.5-177.4-62.678.8000116.8M169 T171 L182 C218 L388 M423 V424 Q469 L471 F486M169-W216 CarbonylContact O-C 3.55Å; M169-W216 WeakPolarHBondContact O-CA 3.39Å; M169-W216 PolarHBondContact O-N 3.45Å; T171-W216 HydrophobicContact CG2-CH2 4.38Å; T171-W216 HydrophobicContact CG2-CZ2 4.5Å; T171-W216 WeakPolarHBondContact OG1-CZ2 3.4Å; L182-W216 HydrophobicContact CD1-CZ2 4.45Å; W216-C218 PolarHBondContact O-N 3.47Å; W216-L388 HydrophobicContact CH2-CD1 3.76Å; W216-L388 HydrophobicContact CZ2-CD1 4.04Å; W216-M423 HydrophobicContact CB-CB 4.23Å; W216-M423 HydrophobicContact CB-CE 4.38Å; W216-M423 HydrophobicContact CB-SD 3.96Å; W216-V424 HydrophobicContact CD2-CG2 3.63Å; W216-V424 HydrophobicContact CE3-CG2 4.15Å; W216-V424 HydrophobicContact CG-CG2 3.87Å; W216-V424 HydrophobicContact CH2-CG2 4.46Å; W216-V424 HydrophobicContact CZ2-CG2 3.98Å; W216-Q469 WeakPolarHBondContact CZ3-O 3.46Å; W216-L471 HydrophobicContact CE3-CD1 3.85Å; W216-L471 HydrophobicContact CE3-CG 3.84Å; W216-L471 HydrophobicContact CZ3-CD1 4.43Å; W216-L471 HydrophobicContact CZ3-CG 3.91Å; W216-F486 HydrophobicContact CD2-CE1 4.22Å; W216-F486 AromaticContact CE3-CE1 3.53Å; W216-F486 HydrophobicContact CE3-CE1 3.53Å; W216-F486 AromaticContact CE3-CZ 3.84Å; W216-F486 HydrophobicContact CE3-CZ 3.84Å; W216-F486 AromaticContact CZ3-CE1 3.7Å; W216-F486 HydrophobicContact CZ3-CE1 3.7Å; W216-F486 AromaticContact CZ3-CZ 3.8Å; W216-F486 HydrophobicContact CZ3-CZ 3.8Å
217S96.2Very high97.4Very high1 Ų113.1 Ų13.11%0.0077%0.073CC..SBendtrans-62.8-14177.870.70000114.3M169 V214 P215 G219 T220M169-S217 PolarHBondContact O-N 3.06Å; V214-S217 VanDerWaalsContact O-CB 3.25Å; V214-S217 WeakPolarHBondContact O-CB 2.98Å; V214-S217 PolarHBondContact O-N 3.44Å; V214-S217 PolarHBondContact O-OG 3Å; P215-S217 PolarHBondContact O-N 2.88Å; S217-G219 PolarHBondContact O-N 2.97Å; S217-G219 PolarHBondContact OG-N 3.41Å; S217-T220 WeakPolarHBondContact O-CB 3.44Å; S217-T220 WeakPolarHBondContact O-CG2 3.22Å; S217-T220 PolarHBondContact O-N 3.1Å; S217-T220 VanDerWaalsContact O-N 3.16Å; S217-T220 PolarHBondContact O-OG1 3.27Å
218C94.3Very high97.4Very high27 Ų279.6 Ų9.618%0.1825%0.054CC..THydrogen-bonded Turntrans52.725.9-172.3-62.60000113.4M169 W216 V507 K510M169-C218 WeakPolarHBondContact O-CA 3.33Å; M169-C218 PolarHBondContact O-N 2.8Å; W216-C218 PolarHBondContact O-N 3.47Å; C218-V507 HydrophobicContact CB-CG2 4.09Å; C218-K510 PolarHBondContact O-NZ 2.81Å
219G94.3Very high97.4Very high4 Ų48.7 Ų8.74%0.0415%0.048CC..THydrogen-bonded Turntrans72.338.9-178.800000113.9M169 S217M169-G219 WeakPolarHBondContact SD-CA 3.44Å; S217-G219 PolarHBondContact O-N 2.97Å; S217-G219 PolarHBondContact OG-N 3.41Å
220T96.4Very high97.5Very high0 Ų011.7 Ų11.70%06%0.059CC..  trans-106.15.5175.263.10000113.7S217 Y491 R495 F504 P505 K510S217-T220 WeakPolarHBondContact O-CB 3.44Å; S217-T220 WeakPolarHBondContact O-CG2 3.22Å; S217-T220 PolarHBondContact O-N 3.1Å; S217-T220 VanDerWaalsContact O-N 3.16Å; S217-T220 PolarHBondContact O-OG1 3.27Å; T220-Y491 VanDerWaalsContact OG1-CE2 3.3Å; T220-Y491 WeakPolarHBondContact OG1-CE2 3.38Å; T220-Y491 PolarHBondContact OG1-OH 3Å; T220-R495 PolarHBondContact O-NH1 3.34Å; T220-F504 WeakPolarHBondContact O-CB 3.46Å; T220-F504 WeakPolarHBondContact O-CD2 3.22Å; T220-P505 VanDerWaalsContact CB-O 3.29Å; T220-P505 WeakPolarHBondContact CB-O 3.47Å; T220-P505 WeakPolarHBondContact CG2-O 3.15Å; T220-K510 HydrophobicContact CG2-CD 3.43Å; T220-K510 VanDerWaalsContact CG2-CD 3.43Å; T220-K510 HydrophobicContact CG2-CG 4.38Å
221L97.3Very high97.5Very high1 Ų111.4 Ų11.41%0.0056%0.057CC..SBendtrans-107.3-10.3172.8-64.9178.7000113.1L210 A213 Y491 L494 R495L210-L221 HydrophobicContact CD1-CB 4.37Å; L210-L221 HydrophobicContact CD1-CD1 4.39Å; A213-L221 HydrophobicContact CB-CD1 3.66Å; A213-L221 WeakPolarHBondContact O-CD1 3.21Å; L221-Y491 HydrophobicContact CD1-CD2 4.12Å; L221-Y491 HydrophobicContact CD2-CD2 4.04Å; L221-Y491 HydrophobicContact CD2-CE2 4.06Å; L221-Y491 HydrophobicContact CG-CD2 4.16Å; L221-Y491 HydrophobicContact CG-CE2 4.12Å; L221-L494 HydrophobicContact CD2-CB 4.39Å; L221-R495 HydrophobicContact CD2-CG 3.52Å
222G97.3Very high97.5Very high1 Ų111.9 Ų11.91%0.016%0.062CC..  trans157.5177.7-176.300000111.7V193V193-G222 WeakPolarHBondContact O-CA 3.49Å
223F98Very high97.5Very high2 Ų213.3 Ų13.31%0.0098%0.075CC..EExtended strand (participates in β ladder)trans-98107.1176.4-63-61.3000110.2I74 V78 M90 T92 I114 I116 L192 V193 V225 F504I74-F223 HydrophobicContact CG2-CB 4.38Å; I74-F223 HydrophobicContact CG2-CD2 4.37Å; V78-F223 HydrophobicContact CG2-CD2 3.92Å; V78-F223 HydrophobicContact CG2-CE2 3.74Å; M90-F223 HydrophobicContact CB-CE2 4.43Å; M90-F223 HydrophobicContact CB-CZ 3.91Å; M90-F223 HydrophobicContact CE-CE2 4.33Å; M90-F223 HydrophobicContact SD-CE2 4.13Å; M90-F223 HydrophobicContact SD-CZ 4.48Å; T92-F223 HydrophobicContact CG2-CD1 4.06Å; T92-F223 HydrophobicContact CG2-CE1 4.12Å; I114-F223 HydrophobicContact CB-CE1 4.06Å; I114-F223 HydrophobicContact CB-CE2 3.89Å; I114-F223 HydrophobicContact CB-CZ 3.56Å; I114-F223 HydrophobicContact CG1-CE1 4.34Å; I114-F223 HydrophobicContact CG1-CE2 3.63Å; I114-F223 HydrophobicContact CG1-CZ 3.4Å; I114-F223 HydrophobicContact CG2-CD2 4.19Å; I114-F223 HydrophobicContact CG2-CE2 3.91Å; I114-F223 HydrophobicContact CG2-CZ 4.07Å; I116-F223 HydrophobicContact CD1-CB 3.83Å; I116-F223 HydrophobicContact CD1-CD1 3.32Å; I116-F223 HydrophobicContact CD1-CE1 4.06Å; I116-F223 HydrophobicContact CD1-CG 3.79Å; I116-F223 HydrophobicContact CG1-CD1 4.5Å; L192-F223 CarbonylContact C-O 3.52Å; L192-F223 VanDerWaalsContact CA-O 3.28Å; L192-F223 WeakPolarHBondContact CA-O 3.44Å; V193-F223 HydrophobicContact CB-CB 4.38Å; V193-F223 PolarHBondContact N-O 2.83Å; V193-F223 PolarHBondContact O-N 3.05Å; F223-V225 PolarHBondContact O-N 2.85Å; F223-F504 HydrophobicContact CD2-CZ 4.44Å; F223-F504 HydrophobicContact CE1-CE1 4.1Å; F223-F504 AromaticContact CE2-CE1 3.81Å; F223-F504 HydrophobicContact CE2-CE1 3.81Å; F223-F504 HydrophobicContact CE2-CZ 4.02Å; F223-F504 AromaticContact CZ-CE1 3.61Å; F223-F504 HydrophobicContact CZ-CE1 3.61Å; F223-F504 HydrophobicContact CZ-CZ 4.29Å
224L98.3Very high97.5Very high4 Ų414.2 Ų14.22%0.0218%0.082CC..EExtended strand (participates in β ladder)trans-58.6125.4171.2-17372.3000109.5P135 V168 M169 Y190 L192 A226P135-L224 HydrophobicContact CB-CD2 4.17Å; P135-L224 HydrophobicContact CB-CG 4.38Å; P135-L224 VanDerWaalsContact CG-O 3.3Å; P135-L224 WeakPolarHBondContact CG-O 3.29Å; V168-L224 HydrophobicContact CB-CD2 4.33Å; V168-L224 HydrophobicContact CG1-CD2 4.3Å; M169-L224 HydrophobicContact CE-CB 3.78Å; M169-L224 HydrophobicContact CE-CD2 4.17Å; M169-L224 HydrophobicContact SD-CB 3.99Å; Y190-L224 HydrophobicContact CD1-CD1 4.04Å; Y190-L224 HydrophobicContact CG-CD1 4.19Å; L192-L224 HydrophobicContact CG-CD1 4.43Å; L224-A226 WeakPolarHBondContact CD1-O 3.35Å
225V98.2Very high97.4Very high0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-115.6-26.2178.3-65.70000112.9H67 V71 I74 M118 P135 E191 V193 L199 F223H67-V225 PolarHBondContact CE1-O 2.78Å; V71-V225 HydrophobicContact CG2-CB 4.01Å; V71-V225 HydrophobicContact CG2-CG1 4.33Å; V71-V225 HydrophobicContact CG2-CG2 4.05Å; I74-V225 HydrophobicContact CD1-CG1 3.81Å; M118-V225 HydrophobicContact CE-CB 4.1Å; M118-V225 HydrophobicContact CE-CG1 4.48Å; M118-V225 HydrophobicContact SD-CB 3.92Å; M118-V225 HydrophobicContact SD-CG1 3.89Å; P135-V225 WeakPolarHBondContact CD-O 3.37Å; E191-V225 HydrophobicContact CB-CG2 3.76Å; E191-V225 WeakPolarHBondContact O-CG2 3.03Å; E191-V225 PolarHBondContact O-N 2.78Å; V193-V225 HydrophobicContact CG2-CG1 3.89Å; L199-V225 HydrophobicContact CD1-CG2 3.74Å; F223-V225 PolarHBondContact O-N 2.85Å
226A98.2Very high97.4Very high1 Ų122.4 Ų22.41%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-149.8154.6169.800000111.6L122 R132 V133 E191 L224L122-A226 HydrophobicContact CD1-CB 4.24Å; R132-A226 HydrophobicContact CG-CB 4.49Å; V133-A226 CarbonylContact O-C 3.57Å; V133-A226 VanDerWaalsContact O-CA 3.29Å; V133-A226 WeakPolarHBondContact O-CA 3.37Å; E191-A226 HydrophobicContact CB-CB 4.12Å; E191-A226 HydrophobicContact CG-CB 4.4Å; E191-A226 PolarHBondContact N-O 3.44Å; E191-A226 PolarHBondContact O-N 3.21Å; L224-A226 WeakPolarHBondContact CD1-O 3.35Å
227A98.6Very high97.5Very high2 Ų224.5 Ų24.52%0.01713%0.129CC..EExtended strand (participates in β ladder)trans-132.5142.4168.300000109.9R132 V133 V164 A189 Y190 I229R132-A227 WeakPolarHBondContact CA-O 3.36Å; V133-A227 PolarHBondContact N-O 3.3Å; V133-A227 PolarHBondContact O-N 3.01Å; V164-A227 HydrophobicContact CG1-CB 3.98Å; A189-A227 WeakPolarHBondContact O-CA 3.3Å; Y190-A227 HydrophobicContact CD1-CB 4Å; Y190-A227 HydrophobicContact CE1-CB 4.35Å; A227-I229 HydrophobicContact CB-CG1 4.48Å
228E98.6Very high97.6Very high13 Ų1324.4 Ų24.46%0.06113%0.129CC..EExtended strand (participates in β ladder)trans-104.2126.3169-79.5177-141.600109.5R128 V130 V131 R132 C187 V188 A189 R201R128-E228 IonicContact CZ-OE2 3.72Å; R128-E228 IonicContact NH1-OE2 2.67Å; R128-E228 IonicContact NH2-OE2 2.79Å; R128-E228 PolarHBondContact NH2-OE2 3.04Å; V130-E228 HydrophobicContact CG1-CB 3.59Å; V130-E228 HydrophobicContact CG1-CG 3.81Å; V131-E228 WeakPolarHBondContact O-CA 3.4Å; R132-E228 HydrophobicContact CB-CG 3.92Å; R132-E228 HydrophobicContact CG-CG 3.84Å; C187-E228 CarbonylContact C-O 3.55Å; C187-E228 WeakPolarHBondContact CA-O 3.31Å; V188-E228 HydrophobicContact CG2-CB 3.6Å; V188-E228 PolarHBondContact N-O 2.87Å; A189-E228 HydrophobicContact CB-CB 3.97Å; A189-E228 HydrophobicContact CB-CG 4.37Å; A189-E228 PolarHBondContact O-N 3.3Å; R201-E228 IonicContact CZ-OE1 3.81Å; R201-E228 IonicContact NH1-OE1 3.99Å; R201-E228 PolarHBondContact NH1-OE1 3.16Å; R201-E228 IonicContact NH2-OE1 3.81Å; R201-E228 PolarHBondContact NH2-OE1 3.14Å; R201-E228 IonicContact NH2-OE2 3.95Å; R201-E228 PolarHBondContact NH2-OE2 3.35Å; R201-E228 VanDerWaalsContact NH2-OE2 3.07Å
229I98.7Very high97.8Very high0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-126.2133.5-171.7-48.1170.9000108.8V130 V131 V133 L153 V164 F183 I186 A227V130-I229 CarbonylContact C-O 2.87Å; V130-I229 VanDerWaalsContact CA-O 3.3Å; V130-I229 WeakPolarHBondContact CA-O 2.94Å; V131-I229 HydrophobicContact CG1-CB 4Å; V131-I229 PolarHBondContact N-O 2.95Å; V131-I229 PolarHBondContact O-N 3.49Å; V133-I229 HydrophobicContact CG2-CD1 3.83Å; L153-I229 HydrophobicContact CD1-CG2 4.39Å; L153-I229 HydrophobicContact CD2-CG2 4.07Å; V164-I229 HydrophobicContact CG1-CD1 3.92Å; V164-I229 HydrophobicContact CG2-CD1 4.29Å; F183-I229 HydrophobicContact CE1-CD1 4.07Å; F183-I229 HydrophobicContact CZ-CD1 3.85Å; I186-I229 HydrophobicContact CB-CG2 4.49Å; I186-I229 HydrophobicContact CD1-CG2 3.6Å; I186-I229 HydrophobicContact CG1-CG2 3.88Å; A227-I229 HydrophobicContact CB-CG1 4.48Å
230K98.6Very high98Very high107 Ų10726.9 Ų26.947%0.46514%0.135SC..EExtended strand (participates in β ladder)trans-60.3140.9174.1-66-176.2-177.6173.40110.5Q129 P154 I186 V188Q129-K230 WeakPolarHBondContact O-CA 3.43Å; P154-K230 WeakPolarHBondContact CD-O 3.43Å; P154-K230 HydrophobicContact CG-CB 4.42Å; I186-K230 PolarHBondContact O-N 3.12Å; V188-K230 HydrophobicContact CG1-CD 4.13Å; V188-K230 HydrophobicContact CG1-CG 3.63Å
231I98.6Very high98.1Very high2 Ų229.8 Ų29.81%0.0115%0.149CC..  trans-117.5150.6171.562.2178.3000110V124 Q129 V131 L146 W151 T152 L153V124-I231 HydrophobicContact CG1-CD1 3.82Å; Q129-I231 HydrophobicContact CB-CG1 4.14Å; Q129-I231 WeakPolarHBondContact O-CG1 3.31Å; Q129-I231 PolarHBondContact O-N 2.98Å; V131-I231 HydrophobicContact CB-CG2 3.87Å; V131-I231 HydrophobicContact CG1-CG2 3.69Å; L146-I231 HydrophobicContact CD1-CG2 3.79Å; L146-I231 HydrophobicContact CD2-CG2 4.21Å; W151-I231 HydrophobicContact CB-CB 4.43Å; W151-I231 HydrophobicContact CB-CD1 3.98Å; W151-I231 HydrophobicContact CD2-CD1 3.63Å; W151-I231 HydrophobicContact CD2-CG1 4.09Å; W151-I231 HydrophobicContact CE3-CB 4.15Å; W151-I231 HydrophobicContact CE3-CD1 3.69Å; W151-I231 HydrophobicContact CE3-CG1 3.59Å; W151-I231 HydrophobicContact CG-CD1 3.74Å; W151-I231 HydrophobicContact CG-CG1 4.49Å; W151-I231 HydrophobicContact CZ3-CD1 4.43Å; W151-I231 HydrophobicContact CZ3-CG1 4.16Å; T152-I231 CarbonylContact O-C 3.19Å; T152-I231 VanDerWaalsContact O-CA 3.24Å; T152-I231 WeakPolarHBondContact O-CA 3.29Å; T152-I231 WeakPolarHBondContact O-CB 3.19Å; L153-I231 HydrophobicContact CD2-CG2 3.94Å
232V98Very high98.2Very high30 Ų3029.8 Ų29.818%0.18215%0.149CC..EExtended strand (participates in β ladder)trans-123.8155.6176.3-68.50000110W151 T152 P154 A234W151-V232 CarbonylContact C-O 3.59Å; W151-V232 WeakPolarHBondContact CA-O 3.43Å; W151-V232 VanDerWaalsContact CE3-C 3.47Å; T152-V232 HydrophobicContact CG2-CG2 3.84Å; T152-V232 PolarHBondContact N-O 2.86Å; T152-V232 PolarHBondContact O-N 3.32Å; P154-V232 HydrophobicContact CB-CG1 4.37Å; P154-V232 HydrophobicContact CG-CG1 3.93Å; P154-V232 HydrophobicContact CG-CG2 4.44Å; V232-A234 PolarHBondContact O-N 3.16Å
233P97.9Very high98.2Very high69 Ų6931.9 Ų31.945%0.44816%0.158SC..EExtended strand (participates in β ladder)trans-55.9128175.3-25.635.3000111.1W151W151-P233 HydrophobicContact CZ3-CG 4.06Å
234A97.4Very high98.3Very high19 Ų1933.1 Ų33.116%0.15717%0.167CC..  trans-77147.8173.300000110.3G150 T152 V232 L324G150-A234 PolarHBondContact O-N 2.75Å; T152-A234 HydrophobicContact CG2-CB 4.34Å; V232-A234 PolarHBondContact O-N 3.16Å; A234-L324 HydrophobicContact CB-CD2 3.81Å
235R97.3Very high98.3Very high118 Ų11833.6 Ų33.645%0.44517%0.17SC..  trans-110.1163.4165.1-55.8-65.7-179.2175.8-1.4110.3W237 M284 D286 L324R235-W237 VanDerWaalsContact C-N 3.35Å; R235-W237 PolarHBondContact O-N 3.41Å; R235-M284 HydrophobicContact CB-CB 3.85Å; R235-M284 HydrophobicContact CG-CB 3.62Å; R235-D286 WeakPolarHBondContact CA-OD1 3.31Å; R235-D286 WeakPolarHBondContact CD-OD2 3.42Å; R235-D286 IonicContact CZ-OD2 2.88Å; R235-D286 IonicContact NE-OD2 3.35Å; R235-D286 IonicContact NH1-OD2 3.76Å; R235-D286 PolarHBondContact NH1-OD2 3.49Å; R235-L324 VanDerWaalsContact O-CB 3.29Å; R235-L324 WeakPolarHBondContact O-CB 3.32Å; R235-L324 WeakPolarHBondContact O-CD2 3.42Å
236S96.9Very high98.3Very high67 Ų6740.7 Ų40.747%0.46920%0.196SC..SBendtrans-68.6-34.2-177-60.30000113.1T285 D286 L324S236-T285 PolarHBondContact N-O 3.36Å; S236-D286 PolarHBondContact N-OD1 3.12Å; S236-D286 PolarHBondContact OG-OD1 3.48Å; S236-L324 PolarHBondContact O-N 2.96Å; S236-L324 VanDerWaalsContact O-N 3.1Å
237W98.2Very high98.3Very high46 Ų4641.7 Ų41.717%0.17421%0.207CC..EExtended strand (participates in β ladder)trans-135.8158.1-170.6-5193.5000112.6R235 M284 T285 A288 I293 F321 I322 P323R235-W237 VanDerWaalsContact C-N 3.35Å; R235-W237 PolarHBondContact O-N 3.41Å; W237-M284 CarbonylContact O-C 3.5Å; W237-M284 WeakPolarHBondContact O-CA 3.23Å; W237-T285 HydrophobicContact CB-CG2 4.02Å; W237-T285 PolarHBondContact N-O 2.88Å; W237-T285 PolarHBondContact O-N 3.16Å; W237-A288 HydrophobicContact CD2-CB 3.9Å; W237-A288 HydrophobicContact CG-CB 3.85Å; W237-I293 HydrophobicContact CE3-CG2 4.49Å; W237-I293 HydrophobicContact CH2-CD1 3.99Å; W237-I293 HydrophobicContact CH2-CG1 4.26Å; W237-I293 HydrophobicContact CH2-CG2 3.66Å; W237-I293 HydrophobicContact CZ2-CD1 4.1Å; W237-I293 HydrophobicContact CZ3-CB 4.46Å; W237-I293 HydrophobicContact CZ3-CD1 4.49Å; W237-I293 HydrophobicContact CZ3-CG1 4.26Å; W237-I293 HydrophobicContact CZ3-CG2 3.5Å; W237-F321 HydrophobicContact CB-CB 4.4Å; W237-F321 HydrophobicContact CB-CD1 4.46Å; W237-F321 HydrophobicContact CE3-CB 4.25Å; W237-I322 CarbonylContact C-O 3.58Å; W237-I322 VanDerWaalsContact CA-O 3.3Å; W237-I322 WeakPolarHBondContact CA-O 3.49Å; W237-P323 HydrophobicContact CE3-CB 4.35Å; W237-P323 HydrophobicContact CE3-CG 4.03Å; W237-P323 HydrophobicContact CH2-CG 4.19Å; W237-P323 HydrophobicContact CZ3-CB 4.15Å; W237-P323 HydrophobicContact CZ3-CG 3.45Å; W237-P323 VanDerWaalsContact CZ3-CG 3.45Å
238V98.3Very high98.3Very high0 Ų042.6 Ų42.60%021%0.211CC..EExtended strand (participates in β ladder)trans-106.6118160.7179.40000107.4L240 F266 T283 F321 I322 L324 Y327V238-L240 HydrophobicContact CG1-CB 4.39Å; V238-L240 HydrophobicContact CG1-CD1 4.46Å; V238-L240 PolarHBondContact O-N 2.98Å; V238-F266 HydrophobicContact CB-CE2 4.45Å; V238-F266 HydrophobicContact CG1-CD2 3.7Å; V238-F266 HydrophobicContact CG1-CE2 3.91Å; V238-F266 HydrophobicContact CG2-CD2 4.33Å; V238-F266 HydrophobicContact CG2-CE2 3.69Å; V238-F266 HydrophobicContact CG2-CZ 4.33Å; V238-T283 CarbonylContact C-O 3.53Å; V238-T283 WeakPolarHBondContact CA-O 3.01Å; V238-F321 WeakPolarHBondContact O-CA 3.45Å; V238-I322 PolarHBondContact N-O 3.11Å; V238-I322 PolarHBondContact O-N 3.08Å; V238-L324 HydrophobicContact CG2-CD1 3.55Å; V238-Y327 HydrophobicContact CB-CD1 4.28Å; V238-Y327 HydrophobicContact CB-CD2 4.4Å; V238-Y327 HydrophobicContact CB-CG 3.99Å; V238-Y327 HydrophobicContact CG1-CD1 4.18Å; V238-Y327 HydrophobicContact CG1-CD2 4.18Å; V238-Y327 HydrophobicContact CG1-CE1 4.33Å; V238-Y327 HydrophobicContact CG1-CE2 4.36Å; V238-Y327 HydrophobicContact CG1-CG 4.09Å; V238-Y327 HydrophobicContact CG2-CD1 3.73Å; V238-Y327 HydrophobicContact CG2-CG 3.81Å
239K98.6Very high98.3Very high82 Ų8248.3 Ų48.336%0.35724%0.238SC..EExtended strand (participates in β ladder)trans-79.4106.9167.3-179177.5-177.6172.10107.2G282 T283 T285 M319 E320 F321K239-G282 WeakPolarHBondContact O-CA 3.42Å; K239-T283 PolarHBondContact N-O 3.5Å; K239-T283 PolarHBondContact O-N 3.42Å; K239-T285 HydrophobicContact CB-CG2 3.97Å; K239-M319 HydrophobicContact CD-SD 4.41Å; K239-M319 HydrophobicContact CG-CG 4.02Å; K239-M319 HydrophobicContact CG-SD 3.91Å; K239-E320 WeakPolarHBondContact CA-O 3.24Å; K239-F321 HydrophobicContact CB-CD1 3.93Å; K239-F321 HydrophobicContact CB-CE1 3.74Å; K239-F321 HydrophobicContact CD-CE1 3.86Å; K239-F321 HydrophobicContact CD-CZ 3.96Å; K239-F321 HydrophobicContact CG-CD1 4.27Å; K239-F321 HydrophobicContact CG-CE1 3.75Å; K239-F321 HydrophobicContact CG-CZ 4.03Å
240L98.6Very high98.3Very high0 Ų051.7 Ų51.70%026%0.256CS..EExtended strand (participates in β ladder)trans-112.1127-173.6-166.869.7000110V238 Y242 M280 F304 M319 E320 I322 Y327V238-L240 HydrophobicContact CG1-CB 4.39Å; V238-L240 HydrophobicContact CG1-CD1 4.46Å; V238-L240 PolarHBondContact O-N 2.98Å; L240-Y242 HydrophobicContact CD2-CE1 3.75Å; L240-Y242 HydrophobicContact CD2-CE2 4.26Å; L240-Y242 WeakPolarHBondContact CD2-OH 3.3Å; L240-Y242 HydrophobicContact CG-CE1 4.41Å; L240-Y242 HydrophobicContact CG-CE2 4.47Å; L240-M280 HydrophobicContact CD1-CB 4.23Å; L240-F304 HydrophobicContact CD2-CE2 4.4Å; L240-F304 HydrophobicContact CD2-CZ 4.23Å; L240-M319 VanDerWaalsContact O-CA 3.29Å; L240-M319 WeakPolarHBondContact O-CA 3.15Å; L240-E320 PolarHBondContact N-O 2.88Å; L240-E320 PolarHBondContact O-N 3.41Å; L240-I322 HydrophobicContact CB-CD1 4.32Å; L240-I322 HydrophobicContact CD2-CD1 3.7Å; L240-Y327 HydrophobicContact CD1-CE2 3.69Å; L240-Y327 HydrophobicContact CD2-CD2 4.1Å; L240-Y327 HydrophobicContact CD2-CE2 3.72Å; L240-Y327 HydrophobicContact CG-CE2 4.33Å
241H98.6Very high98.3Very high62 Ų6246.7 Ų46.729%0.28723%0.234SC..EExtended strand (participates in β ladder)trans-101.3136.4172.9179.9-99.4000110E243 M280 T281 G318H241-E243 IonicContact CE1-OE2 3.77Å; H241-M280 VanDerWaalsContact O-CA 3.22Å; H241-M280 WeakPolarHBondContact O-CA 3.29Å; H241-T281 PolarHBondContact N-O 3.07Å; H241-T281 PolarHBondContact O-N 3.29Å; H241-T281 VanDerWaalsContact O-N 3.1Å; H241-G318 CarbonylContact C-O 3.53Å; H241-G318 WeakPolarHBondContact CA-O 3.4Å; H241-G318 PolarHBondContact CD2-O 3.07Å; H241-G318 VanDerWaalsContact CD2-O 3.29Å
242Y98.8Very high98.3Very high0 Ų047.2 Ų47.20%024%0.238CC..EExtended strand (participates in β ladder)trans-111.6122.8176.5-57.7-86.9000109.2L240 V278 M280 F304 V308 Y311 S317 G318 E320L240-Y242 HydrophobicContact CD2-CE1 3.75Å; L240-Y242 HydrophobicContact CD2-CE2 4.26Å; L240-Y242 WeakPolarHBondContact CD2-OH 3.3Å; L240-Y242 HydrophobicContact CG-CE1 4.41Å; L240-Y242 HydrophobicContact CG-CE2 4.47Å; Y242-V278 HydrophobicContact CD1-CG1 4.35Å; Y242-M280 HydrophobicContact CD1-CG 3.59Å; Y242-M280 HydrophobicContact CD1-SD 3.68Å; Y242-M280 HydrophobicContact CE1-CG 4.03Å; Y242-M280 HydrophobicContact CE1-SD 3.58Å; Y242-M280 VanDerWaalsContact CE1-SD 3.58Å; Y242-M280 HydrophobicContact CG-CG 4.5Å; Y242-F304 HydrophobicContact CE1-CE2 4.43Å; Y242-F304 HydrophobicContact CE1-CZ 4.39Å; Y242-V308 HydrophobicContact CD1-CG2 4.24Å; Y242-V308 HydrophobicContact CE1-CG2 3.82Å; Y242-Y311 HydrophobicContact CD1-CD2 4.03Å; Y242-Y311 HydrophobicContact CD1-CE2 4.16Å; Y242-Y311 HydrophobicContact CD2-CD2 4.01Å; Y242-Y311 HydrophobicContact CD2-CE1 4.34Å; Y242-Y311 AromaticContact CD2-CE2 3.47Å; Y242-Y311 HydrophobicContact CD2-CE2 3.47Å; Y242-Y311 VanDerWaalsContact CD2-CE2 3.47Å; Y242-Y311 AromaticContact CD2-CZ 3.66Å; Y242-Y311 HydrophobicContact CE1-CE2 4.42Å; Y242-Y311 AromaticContact CE2-CE2 3.75Å; Y242-Y311 HydrophobicContact CE2-CE2 3.75Å; Y242-Y311 AromaticContact CG-CD2 3.69Å; Y242-Y311 HydrophobicContact CG-CD2 3.69Å; Y242-Y311 AromaticContact CG-CE2 3.67Å; Y242-Y311 HydrophobicContact CG-CE2 3.67Å; Y242-Y311 HydrophobicContact CG-CG 4.2Å; Y242-S317 WeakPolarHBondContact O-CA 3.16Å; Y242-S317 VanDerWaalsContact O-CB 3.24Å; Y242-S317 WeakPolarHBondContact O-CB 3.22Å; Y242-G318 PolarHBondContact N-O 3.37Å; Y242-G318 PolarHBondContact O-N 2.82Å; Y242-G318 VanDerWaalsContact O-N 3.07Å; Y242-E320 HydrophobicContact CE2-CB 4.2Å; Y242-E320 HydrophobicContact CE2-CG 4.01Å; Y242-E320 PolarHBondContact OH-OE2 2.71Å
243E98.6Very high98.3Very high45 Ų4551.4 Ų51.421%0.2125%0.251CS..EExtended strand (participates in β ladder)trans-123.4105.2-179.7-167.8177.9150.700110.4H241 V245 R254 V278 V279H241-E243 IonicContact CE1-OE2 3.77Å; E243-V245 HydrophobicContact CG-CG2 4.21Å; E243-V245 PolarHBondContact O-N 3.1Å; E243-R254 WeakPolarHBondContact OE1-CD 3.41Å; E243-R254 IonicContact OE1-CZ 3.57Å; E243-R254 IonicContact OE1-NE 3.76Å; E243-R254 PolarHBondContact OE1-NE 3.26Å; E243-R254 IonicContact OE2-CZ 3.04Å; E243-R254 IonicContact OE2-NE 3.2Å; E243-R254 PolarHBondContact OE2-NE 2.93Å; E243-R254 IonicContact OE2-NH2 2.98Å; E243-R254 PolarHBondContact OE2-NH2 3.29Å; E243-V278 CarbonylContact O-C 3.6Å; E243-V278 WeakPolarHBondContact O-CA 3.21Å; E243-V279 WeakPolarHBondContact CB-O 3.42Å; E243-V279 PolarHBondContact N-O 2.8Å; E243-V279 PolarHBondContact O-N 3.27Å
244P98.6Very high98.3Very high29 Ų2950.6 Ų50.619%0.18824%0.239CC..EExtended strand (participates in β ladder)trans-65126.1170-22.234.7000111.1Y311 L312 H316P244-Y311 VanDerWaalsContact CG-O 3.32Å; P244-Y311 WeakPolarHBondContact CG-O 3.28Å; P244-L312 HydrophobicContact CB-CD1 4.07Å; P244-H316 WeakPolarHBondContact CG-O 3.16Å
245V98.6Very high98.4Very high14 Ų1449.7 Ų49.79%0.08523%0.231CC..EExtended strand (participates in β ladder)trans-125.6138.6179-170.10000109.6E243 N250 I251 R254 A277 V279E243-V245 HydrophobicContact CG-CG2 4.21Å; E243-V245 PolarHBondContact O-N 3.1Å; V245-N250 HydrophobicContact CG1-CB 3.81Å; V245-I251 HydrophobicContact CB-CG1 4.02Å; V245-I251 HydrophobicContact CG1-CB 4.5Å; V245-I251 HydrophobicContact CG1-CG1 3.88Å; V245-R254 HydrophobicContact CG1-CB 4.48Å; V245-R254 HydrophobicContact CG2-CB 4.37Å; V245-R254 HydrophobicContact CG2-CG 4.05Å; V245-A277 PolarHBondContact N-O 3.01Å; V245-A277 PolarHBondContact O-N 2.6Å; V245-V279 HydrophobicContact CG2-CB 4.44Å; V245-V279 HydrophobicContact CG2-CG2 4.01Å
246R98.3Very high98.5Very high149 Ų14945.5 Ų45.556%0.56222%0.222SC*.EExtended strand (participates in β ladder)trans-122.3146180-66.6-176179-86.7-0.3112.5N250 D275 S276R246-N250 WeakPolarHBondContact O-CB 3.14Å; R246-N250 PolarHBondContact O-ND2 2.74Å; R246-N250 VanDerWaalsContact O-ND2 3.13Å; R246-D275 CarbonylContact C-O 3.59Å; R246-D275 VanDerWaalsContact CA-O 3.22Å; R246-D275 WeakPolarHBondContact CA-O 3.32Å; R246-S276 PolarHBondContact NH1-OG 3.28Å; R246-S276 VanDerWaalsContact NH1-OG 3.14Å
247G98.3Very high98.5Very high22 Ų2246.7 Ų46.723%0.22722%0.22CC..SBendtrans83.3129.1-175.300000111.8E249 N250 I251 D275G247-E249 VanDerWaalsContact C-N 3.32Å; G247-E249 PolarHBondContact O-N 3.17Å; G247-N250 PolarHBondContact O-N 2.88Å; G247-N250 VanDerWaalsContact O-N 3.13Å; G247-I251 WeakPolarHBondContact O-CG1 3.3Å; G247-I251 PolarHBondContact O-N 2.82Å; G247-D275 PolarHBondContact N-O 2.99Å
248L98.6Very high98.6Very high20 Ų2044.6 Ų44.611%0.10521%0.212CC..Hα-helixtrans-51.8-46.3-174.5178.561000113.8N250 I251 C252 L274 D275 Q395 I398L248-N250 PolarHBondContact O-N 3.01Å; L248-I251 PolarHBondContact O-N 3.47Å; L248-C252 PolarHBondContact O-N 2.64Å; L248-C252 PolarHBondContact O-SG 3.47Å; L248-L274 HydrophobicContact CD1-CD1 4.42Å; L248-L274 HydrophobicContact CD2-CD1 4.04Å; L248-D275 PolarHBondContact N-OD1 3.38Å; L248-Q395 HydrophobicContact CD2-CG 3.89Å; L248-Q395 HydrophobicContact CG-CG 4.03Å; L248-I398 HydrophobicContact CD1-CB 3.94Å; L248-I398 HydrophobicContact CD1-CD1 3.96Å; L248-I398 HydrophobicContact CD1-CG2 3.53Å
249E98.4Very high98.6Very high134 Ų13444.7 Ų44.763%0.62621%0.213SC*.Hα-helixtrans-61.6-45.1179.9-175.9-179.5174.700111.9G247 I251 C252 R253G247-E249 VanDerWaalsContact C-N 3.32Å; G247-E249 PolarHBondContact O-N 3.17Å; E249-I251 VanDerWaalsContact C-N 3.34Å; E249-I251 PolarHBondContact O-N 3.02Å; E249-C252 PolarHBondContact O-N 2.94Å; E249-R253 VanDerWaalsContact O-CB 3.3Å; E249-R253 WeakPolarHBondContact O-CB 3.5Å; E249-R253 PolarHBondContact O-N 2.72Å
250N98.6Very high98.5Very high71 Ų7144 Ų4438%0.3822%0.223SC..Hα-helixtrans-64.7-39.4177.4-72-40.3000112V245 R246 G247 L248 R253 R254V245-N250 HydrophobicContact CG1-CB 3.81Å; R246-N250 WeakPolarHBondContact O-CB 3.14Å; R246-N250 PolarHBondContact O-ND2 2.74Å; R246-N250 VanDerWaalsContact O-ND2 3.13Å; G247-N250 PolarHBondContact O-N 2.88Å; G247-N250 VanDerWaalsContact O-N 3.13Å; L248-N250 PolarHBondContact O-N 3.01Å; N250-R253 PolarHBondContact OD1-NH2 3.19Å; N250-R254 WeakPolarHBondContact O-CB 3.38Å; N250-R254 PolarHBondContact O-N 3.32Å
251I98.8Very high98.5Very high1 Ų146 Ų461%0.00523%0.233CC..Hα-helixtrans-60-51.9176.6-68164.3000109.4V245 G247 L248 E249 R254 F255 A277V245-I251 HydrophobicContact CB-CG1 4.02Å; V245-I251 HydrophobicContact CG1-CB 4.5Å; V245-I251 HydrophobicContact CG1-CG1 3.88Å; G247-I251 WeakPolarHBondContact O-CG1 3.3Å; G247-I251 PolarHBondContact O-N 2.82Å; L248-I251 PolarHBondContact O-N 3.47Å; E249-I251 VanDerWaalsContact C-N 3.34Å; E249-I251 PolarHBondContact O-N 3.02Å; I251-R254 PolarHBondContact O-N 3.43Å; I251-F255 WeakPolarHBondContact O-CB 3.4Å; I251-F255 PolarHBondContact O-N 3.43Å; I251-A277 HydrophobicContact CD1-CB 3.86Å; I251-A277 HydrophobicContact CG1-CB 3.95Å; I251-A277 HydrophobicContact CG2-CB 3.76Å
252C98.8Very high98.2Very high13 Ų1349.5 Ų49.59%0.08825%0.248CC..Hα-helixtrans-62.2-46.9-178.9-62.30000111.6L248 E249 A256 L394 Q395L248-C252 PolarHBondContact O-N 2.64Å; L248-C252 PolarHBondContact O-SG 3.47Å; E249-C252 PolarHBondContact O-N 2.94Å; C252-A256 VanDerWaalsContact O-CB 3.3Å; C252-A256 WeakPolarHBondContact O-CB 3.37Å; C252-A256 PolarHBondContact O-N 3.06Å; C252-L394 HydrophobicContact CB-CD2 4.23Å; C252-L394 HydrophobicContact CB-CG 4.4Å; C252-Q395 HydrophobicContact CB-CB 4.33Å; C252-Q395 VanDerWaalsContact SG-CA 3.57Å
253R98.7Very high98.1Very high119 Ų11958.6 Ų58.645%0.44928%0.282SS..Hα-helixtrans-60.4-52.5178.5-178.3-178.959.772.72.1111.5E249 N250 F255 A256 E257E249-R253 VanDerWaalsContact O-CB 3.3Å; E249-R253 WeakPolarHBondContact O-CB 3.5Å; E249-R253 PolarHBondContact O-N 2.72Å; N250-R253 PolarHBondContact OD1-NH2 3.19Å; R253-F255 VanDerWaalsContact C-N 3.34Å; R253-F255 PolarHBondContact O-N 3.17Å; R253-A256 PolarHBondContact O-N 3.45Å; R253-E257 HydrophobicContact CG-CG 4.49Å; R253-E257 VanDerWaalsContact CG-OE1 3.23Å; R253-E257 WeakPolarHBondContact CG-OE1 3.33Å; R253-E257 IonicContact CZ-OE1 2.72Å; R253-E257 IonicContact NH1-OE1 3.23Å; R253-E257 PolarHBondContact NH1-OE1 2.84Å; R253-E257 IonicContact NH1-OE2 2.8Å; R253-E257 PolarHBondContact NH1-OE2 3.1Å; R253-E257 WeakPolarHBondContact O-CB 3.33Å; R253-E257 VanDerWaalsContact O-CG 3.31Å; R253-E257 WeakPolarHBondContact O-CG 3.33Å; R253-E257 PolarHBondContact O-N 3.5Å
254R98.6Very high98Very high52 Ų5257.6 Ų57.620%0.19628%0.278CS..Hα-helixtrans-64.5-39.4-176.9-179.260.7-172.11034.1112.1E243 V245 N250 I251 A258 V279E243-R254 WeakPolarHBondContact OE1-CD 3.41Å; E243-R254 IonicContact OE1-CZ 3.57Å; E243-R254 IonicContact OE1-NE 3.76Å; E243-R254 PolarHBondContact OE1-NE 3.26Å; E243-R254 IonicContact OE2-CZ 3.04Å; E243-R254 IonicContact OE2-NE 3.2Å; E243-R254 PolarHBondContact OE2-NE 2.93Å; E243-R254 IonicContact OE2-NH2 2.98Å; E243-R254 PolarHBondContact OE2-NH2 3.29Å; V245-R254 HydrophobicContact CG1-CB 4.48Å; V245-R254 HydrophobicContact CG2-CB 4.37Å; V245-R254 HydrophobicContact CG2-CG 4.05Å; N250-R254 WeakPolarHBondContact O-CB 3.38Å; N250-R254 PolarHBondContact O-N 3.32Å; I251-R254 PolarHBondContact O-N 3.43Å; R254-A258 WeakPolarHBondContact O-CB 3.43Å; R254-A258 PolarHBondContact O-N 3.13Å; R254-V279 HydrophobicContact CG-CG2 4.4Å
255F98.8Very high97.9Very high0 Ų057.6 Ų57.60%028%0.278CS..Hα-helixtrans-66.3-43.2176.5-177-104.3000111.9I251 R253 A258 S259 V267 V279 M391 L394 L412 P414 V436I251-F255 WeakPolarHBondContact O-CB 3.4Å; I251-F255 PolarHBondContact O-N 3.43Å; R253-F255 VanDerWaalsContact C-N 3.34Å; R253-F255 PolarHBondContact O-N 3.17Å; F255-A258 PolarHBondContact O-N 3.5Å; F255-S259 VanDerWaalsContact O-CB 3.3Å; F255-S259 WeakPolarHBondContact O-CB 3.23Å; F255-S259 PolarHBondContact O-N 2.9Å; F255-S259 PolarHBondContact O-OG 3.37Å; F255-V267 HydrophobicContact CD2-CG1 4.34Å; F255-V267 HydrophobicContact CE2-CG1 4.06Å; F255-V279 HydrophobicContact CB-CG2 4.21Å; F255-V279 HydrophobicContact CD2-CG1 4.33Å; F255-V279 HydrophobicContact CD2-CG2 4.45Å; F255-M391 HydrophobicContact CD1-CE 4Å; F255-M391 HydrophobicContact CD1-SD 3.95Å; F255-M391 HydrophobicContact CE1-CE 3.72Å; F255-M391 HydrophobicContact CE1-SD 4.14Å; F255-L394 HydrophobicContact CD1-CD2 3.65Å; F255-L394 HydrophobicContact CE1-CD2 4.28Å; F255-L412 HydrophobicContact CE1-CB 4.07Å; F255-L412 HydrophobicContact CE2-CB 3.93Å; F255-L412 HydrophobicContact CZ-CB 3.63Å; F255-L412 WeakPolarHBondContact CZ-O 3.22Å; F255-P414 HydrophobicContact CE1-CB 4.25Å; F255-P414 HydrophobicContact CE2-CG 4.41Å; F255-P414 HydrophobicContact CZ-CB 4.05Å; F255-P414 HydrophobicContact CZ-CG 3.93Å; F255-V436 HydrophobicContact CE1-CB 4.23Å; F255-V436 HydrophobicContact CE1-CG2 3.6Å; F255-V436 HydrophobicContact CZ-CG2 4.14Å
256A98.6Very high97.9Very high30 Ų3057 Ų5725%0.24827%0.274CS..Hα-helixtrans-62.6-45174.700000112C252 R253 A258 S259 A260 M391C252-A256 VanDerWaalsContact O-CB 3.3Å; C252-A256 WeakPolarHBondContact O-CB 3.37Å; C252-A256 PolarHBondContact O-N 3.06Å; R253-A256 PolarHBondContact O-N 3.45Å; A256-A258 PolarHBondContact O-N 3.47Å; A256-S259 PolarHBondContact O-N 2.97Å; A256-A260 WeakPolarHBondContact O-CB 3.45Å; A256-A260 PolarHBondContact O-N 3Å; A256-M391 HydrophobicContact CB-CG 3.87Å; A256-M391 HydrophobicContact CB-SD 4.08Å
257E98.5Very high97.9Very high92 Ų9249.9 Ų49.943%0.4325%0.247SC..Hα-helixtrans-58.6-45.8174.7-73.6166.9-174.800111.8R253 S259 A260 D261R253-E257 HydrophobicContact CG-CG 4.49Å; R253-E257 VanDerWaalsContact CG-OE1 3.23Å; R253-E257 WeakPolarHBondContact CG-OE1 3.33Å; R253-E257 IonicContact CZ-OE1 2.72Å; R253-E257 IonicContact NH1-OE1 3.23Å; R253-E257 PolarHBondContact NH1-OE1 2.84Å; R253-E257 IonicContact NH1-OE2 2.8Å; R253-E257 PolarHBondContact NH1-OE2 3.1Å; R253-E257 WeakPolarHBondContact O-CB 3.33Å; R253-E257 VanDerWaalsContact O-CG 3.31Å; R253-E257 WeakPolarHBondContact O-CG 3.33Å; R253-E257 PolarHBondContact O-N 3.5Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 2.89Å; E257-A260 PolarHBondContact O-N 3.01Å; E257-D261 PolarHBondContact O-N 3.03Å
258A98.6Very high97.9Very high1 Ų148.9 Ų48.91%0.00824%0.236CC..Hα-helixtrans-60.8-42.2176.800000112.2R254 F255 A256 D261 N264 V267 V279 T281R254-A258 WeakPolarHBondContact O-CB 3.43Å; R254-A258 PolarHBondContact O-N 3.13Å; F255-A258 PolarHBondContact O-N 3.5Å; A256-A258 PolarHBondContact O-N 3.47Å; A258-D261 PolarHBondContact O-N 2.96Å; A258-N264 PolarHBondContact O-ND2 2.65Å; A258-V267 HydrophobicContact CB-CG1 3.93Å; A258-V267 WeakPolarHBondContact O-CG2 3.26Å; A258-V279 HydrophobicContact CB-CG1 4.1Å; A258-T281 HydrophobicContact CB-CG2 3.72Å
259S98.4Very high97.9Very high3 Ų348 Ų482%0.02123%0.231CC..Hα-helixtrans-74-26-176.7-56.50000113.2H178 F255 A256 E257 P414H178-S259 PolarHBondContact CD2-O 2.73Å; F255-S259 VanDerWaalsContact O-CB 3.3Å; F255-S259 WeakPolarHBondContact O-CB 3.23Å; F255-S259 PolarHBondContact O-N 2.9Å; F255-S259 PolarHBondContact O-OG 3.37Å; A256-S259 PolarHBondContact O-N 2.97Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 2.89Å; S259-P414 VanDerWaalsContact OG-CB 3.25Å; S259-P414 WeakPolarHBondContact OG-CB 3.42Å; S259-P414 WeakPolarHBondContact OG-CG 3.35Å
260A97.4Very high98Very high68 Ų6841.6 Ų41.656%0.56220%0.202SC*.Hα-helixtrans-80.4-22.9174.700000112.6A256 E257 K262A256-A260 WeakPolarHBondContact O-CB 3.45Å; A256-A260 PolarHBondContact O-N 3Å; E257-A260 PolarHBondContact O-N 3.01Å; A260-K262 PolarHBondContact O-N 3.17Å; A260-K262 VanDerWaalsContact O-N 3.16Å
261D97.2Very high98Very high42 Ų4238.2 Ų38.223%0.22518%0.184CC..  trans-79.896.5-179.6-174-0.6000111.9E257 A258 R263 N264E257-D261 PolarHBondContact O-N 3.03Å; A258-D261 PolarHBondContact O-N 2.96Å; D261-R263 PolarHBondContact O-N 3.48Å; D261-R263 WeakPolarHBondContact OD1-CB 3.47Å; D261-R263 VanDerWaalsContact OD1-CG 3.28Å; D261-R263 WeakPolarHBondContact OD1-CG 3.32Å; D261-R263 IonicContact OD1-CZ 2.75Å; D261-R263 PolarHBondContact OD1-N 2.59Å; D261-R263 IonicContact OD1-NE 3.89Å; D261-R263 PolarHBondContact OD1-NE 3.23Å; D261-R263 IonicContact OD1-NH2 3.41Å; D261-R263 IonicContact OD2-CZ 3.54Å; D261-R263 VanDerWaalsContact OD2-CZ 3.28Å; D261-R263 IonicContact OD2-NE 3.47Å; D261-R263 PolarHBondContact OD2-NE 3.45Å; D261-R263 VanDerWaalsContact OD2-NE 3.07Å; D261-R263 IonicContact OD2-NH2 3.16Å; D261-R263 PolarHBondContact OD2-NH2 3.29Å; D261-N264 WeakPolarHBondContact O-CB 3.21Å; D261-N264 PolarHBondContact O-N 3.06Å
262K93.2Very high97.9Very high134 Ų13439.6 Ų39.658%0.58319%0.189SC*.THydrogen-bonded Turntrans-61.5-5.9178.6-58.6-171.5179.8-1730114.3A260 N264 E432A260-K262 PolarHBondContact O-N 3.17Å; A260-K262 VanDerWaalsContact O-N 3.16Å; K262-N264 VanDerWaalsContact C-N 3.28Å; K262-E432 IonicContact NZ-OE1 3.21Å; K262-E432 PolarHBondContact NZ-OE1 3.37Å
263R95.9Very high97.9Very high192 Ų19241 Ų4173%0.72520%0.199SC*.THydrogen-bonded Turntrans-71.7-25.6169.6-61.8175.3-64.9-177.91.9111.9D261 T265 T283D261-R263 PolarHBondContact O-N 3.48Å; D261-R263 WeakPolarHBondContact OD1-CB 3.47Å; D261-R263 VanDerWaalsContact OD1-CG 3.28Å; D261-R263 WeakPolarHBondContact OD1-CG 3.32Å; D261-R263 IonicContact OD1-CZ 2.75Å; D261-R263 PolarHBondContact OD1-N 2.59Å; D261-R263 IonicContact OD1-NE 3.89Å; D261-R263 PolarHBondContact OD1-NE 3.23Å; D261-R263 IonicContact OD1-NH2 3.41Å; D261-R263 IonicContact OD2-CZ 3.54Å; D261-R263 VanDerWaalsContact OD2-CZ 3.28Å; D261-R263 IonicContact OD2-NE 3.47Å; D261-R263 PolarHBondContact OD2-NE 3.45Å; D261-R263 VanDerWaalsContact OD2-NE 3.07Å; D261-R263 IonicContact OD2-NH2 3.16Å; D261-R263 PolarHBondContact OD2-NH2 3.29Å; R263-T265 PolarHBondContact O-N 2.89Å; R263-T283 VanDerWaalsContact O-CG2 3.29Å; R263-T283 WeakPolarHBondContact O-CG2 3.19Å
264N97.4Very high97.9Very high23 Ų2337.3 Ų37.312%0.12319%0.188CC..  trans-75.4122170.2-61.4-43.4000108H178 A258 D261 K262 V267H178-N264 PolarHBondContact CE1-O 2.86Å; H178-N264 PolarHBondContact NE2-O 2.76Å; A258-N264 PolarHBondContact O-ND2 2.65Å; D261-N264 WeakPolarHBondContact O-CB 3.21Å; D261-N264 PolarHBondContact O-N 3.06Å; K262-N264 VanDerWaalsContact C-N 3.28Å; N264-V267 HydrophobicContact CB-CG2 3.64Å
265T96.8Very high97.8Very high30 Ų3038.9 Ų38.918%0.18420%0.2CC..SBendtrans-76.9-32.4171.1-48.90000110.7S176 R263 G282 M284S176-T265 VanDerWaalsContact CA-O 3.27Å; S176-T265 WeakPolarHBondContact CA-O 3.21Å; S176-T265 VanDerWaalsContact CB-O 3.3Å; S176-T265 WeakPolarHBondContact CB-O 3.23Å; R263-T265 PolarHBondContact O-N 2.89Å; T265-G282 WeakPolarHBondContact CA-O 3.33Å; T265-G282 PolarHBondContact N-O 2.83Å; T265-M284 HydrophobicContact CG2-CE 3.8Å; T265-M284 HydrophobicContact CG2-CG 4.48Å
266F98.6Very high97.8Very high1 Ų139.4 Ų39.40%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-129.5135.7-178.6-53.1-71.4000110.3S175 V238 T281 G282 M284 L324 Y327 Y328S175-F266 CarbonylContact O-C 3.5Å; S175-F266 WeakPolarHBondContact O-CA 3.23Å; S175-F266 WeakPolarHBondContact OG-CD1 3.48Å; V238-F266 HydrophobicContact CB-CE2 4.45Å; V238-F266 HydrophobicContact CG1-CD2 3.7Å; V238-F266 HydrophobicContact CG1-CE2 3.91Å; V238-F266 HydrophobicContact CG2-CD2 4.33Å; V238-F266 HydrophobicContact CG2-CE2 3.69Å; V238-F266 HydrophobicContact CG2-CZ 4.33Å; F266-T281 CarbonylContact O-C 3.59Å; F266-T281 WeakPolarHBondContact O-CA 3.3Å; F266-G282 PolarHBondContact N-O 3.18Å; F266-G282 PolarHBondContact O-N 3.1Å; F266-M284 HydrophobicContact CE2-CG 3.53Å; F266-M284 HydrophobicContact CZ-CE 4.28Å; F266-M284 HydrophobicContact CZ-CG 3.76Å; F266-M284 HydrophobicContact CZ-SD 4.21Å; F266-L324 HydrophobicContact CZ-CD1 4.49Å; F266-Y327 HydrophobicContact CB-CE1 4.1Å; F266-Y327 WeakPolarHBondContact CB-OH 2.96Å; F266-Y327 AromaticContact CD1-CE1 3.7Å; F266-Y327 HydrophobicContact CD1-CE1 3.7Å; F266-Y327 AromaticContact CD2-CE1 3.94Å; F266-Y327 HydrophobicContact CD2-CE1 3.94Å; F266-Y327 HydrophobicContact CE1-CE1 4.05Å; F266-Y327 HydrophobicContact CE2-CE1 4.26Å; F266-Y327 AromaticContact CG-CE1 3.64Å; F266-Y327 HydrophobicContact CG-CE1 3.64Å; F266-Y327 HydrophobicContact CZ-CE1 4.31Å; F266-Y328 AromaticContact CE1-CE1 3.93Å; F266-Y328 HydrophobicContact CE1-CE1 3.93Å; F266-Y328 HydrophobicContact CZ-CE1 4.19Å
267V98.8Very high97.8Very high0 Ų038 Ų380%019%0.193CC..EExtended strand (participates in β ladder)trans-137.1131.1172.4-178.30000108.8S175 F255 A258 N264 M280 T281 P414S175-V267 WeakPolarHBondContact CA-O 3.35Å; S175-V267 WeakPolarHBondContact CB-O 3.44Å; S175-V267 PolarHBondContact O-N 3.22Å; F255-V267 HydrophobicContact CD2-CG1 4.34Å; F255-V267 HydrophobicContact CE2-CG1 4.06Å; A258-V267 HydrophobicContact CB-CG1 3.93Å; A258-V267 WeakPolarHBondContact O-CG2 3.26Å; N264-V267 HydrophobicContact CB-CG2 3.64Å; V267-M280 WeakPolarHBondContact CA-O 3.49Å; V267-T281 HydrophobicContact CG2-CG2 4.34Å; V267-P414 HydrophobicContact CB-CG 3.77Å; V267-P414 HydrophobicContact CG1-CG 3.84Å; V267-P414 WeakPolarHBondContact O-CD 3.17Å
268E98.5Very high97.8Very high1 Ų133.7 Ų33.71%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-149.7144.1178.6176.3178.8-132.800109.7M280 R330 H331 W411E268-M280 HydrophobicContact CB-CE 3.96Å; E268-M280 HydrophobicContact CG-CE 3.59Å; E268-M280 PolarHBondContact N-O 3.07Å; E268-M280 WeakPolarHBondContact O-CA 3.19Å; E268-M280 WeakPolarHBondContact O-CB 3.49Å; E268-M280 PolarHBondContact O-N 3.14Å; E268-M280 VanDerWaalsContact OE2-CE 3.26Å; E268-M280 WeakPolarHBondContact OE2-CE 3.47Å; E268-R330 IonicContact OE1-CZ 3.09Å; E268-R330 IonicContact OE1-NE 2.73Å; E268-R330 IonicContact OE1-NH2 2.64Å; E268-R330 PolarHBondContact OE1-NH2 3.23Å; E268-R330 IonicContact OE2-CZ 3.17Å; E268-R330 IonicContact OE2-NE 3.75Å; E268-R330 PolarHBondContact OE2-NE 2.53Å; E268-R330 IonicContact OE2-NH2 2.65Å; E268-R330 PolarHBondContact OE2-NH2 3.35Å; E268-H331 IonicContact OE1-CD2 2.82Å; E268-H331 IonicContact OE1-CE1 3.85Å; E268-H331 IonicContact OE1-NE2 3.22Å; E268-H331 PolarHBondContact OE1-NE2 3.42Å; E268-H331 IonicContact OE2-NE2 2.96Å; E268-W411 PolarHBondContact OE1-NE1 3.39Å
269G98.6Very high97.9Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-118.8138.3170.800000111.1V278 L412G269-V278 WeakPolarHBondContact CA-O 3.46Å; G269-L412 PolarHBondContact N-O 3.06Å; G269-L412 PolarHBondContact O-N 3.39Å
270I98.8Very high97.9Very high0 Ų033.6 Ų33.60%017%0.171CC..EExtended strand (participates in β ladder)trans-118.2112.9163.2-56.6179.6000107.7Y272 A277 V278 M280 F304 F305 V308 W337 P409I270-Y272 HydrophobicContact CB-CE2 4Å; I270-Y272 HydrophobicContact CG2-CD2 4.32Å; I270-Y272 HydrophobicContact CG2-CE1 3.95Å; I270-Y272 HydrophobicContact CG2-CE2 3.66Å; I270-Y272 VanDerWaalsContact CG2-CZ 3.44Å; I270-Y272 WeakPolarHBondContact CG2-OH 3.3Å; I270-Y272 WeakPolarHBondContact O-CD2 3.29Å; I270-Y272 WeakPolarHBondContact O-CE2 3.09Å; I270-A277 CarbonylContact O-C 3.4Å; I270-A277 VanDerWaalsContact O-CA 3.31Å; I270-A277 WeakPolarHBondContact O-CA 3.29Å; I270-V278 PolarHBondContact N-O 3.3Å; I270-V278 PolarHBondContact O-N 3.09Å; I270-M280 HydrophobicContact CD1-CE 3.95Å; I270-M280 HydrophobicContact CG1-CE 3.75Å; I270-F304 HydrophobicContact CD1-CD1 4.44Å; I270-F304 HydrophobicContact CD1-CE1 4.31Å; I270-F305 HydrophobicContact CD1-CB 4.02Å; I270-V308 HydrophobicContact CB-CG1 4.37Å; I270-V308 HydrophobicContact CD1-CB 4.26Å; I270-V308 HydrophobicContact CD1-CG1 4.2Å; I270-V308 HydrophobicContact CD1-CG2 4.16Å; I270-W337 HydrophobicContact CG2-CZ3 4.32Å; I270-P409 HydrophobicContact CG2-CB 3.67Å; I270-P409 HydrophobicContact CG2-CG 4.33Å
271Q98.6Very high97.9Very high0 Ų031 Ų310%015%0.148CC..EExtended strand (participates in β ladder)trans-98.8121.2-179.6-178.6169-1.800109.9S273 L274 A277 I398 Y408 P409 L410 L412Q271-S273 WeakPolarHBondContact CG-O 3.38Å; Q271-S273 PolarHBondContact NE2-O 2.83Å; Q271-L274 PolarHBondContact NE2-O 2.96Å; Q271-L274 VanDerWaalsContact NE2-O 3.09Å; Q271-A277 HydrophobicContact CB-CB 3.86Å; Q271-A277 HydrophobicContact CG-CB 4.05Å; Q271-I398 VanDerWaalsContact OE1-CD1 3.25Å; Q271-Y408 HydrophobicContact CG-CD1 4.47Å; Q271-Y408 HydrophobicContact CG-CE1 4.04Å; Q271-Y408 WeakPolarHBondContact O-CD1 3.09Å; Q271-P409 CarbonylContact O-C 3.57Å; Q271-P409 WeakPolarHBondContact O-CA 3.19Å; Q271-P409 VanDerWaalsContact O-CB 3.26Å; Q271-P409 WeakPolarHBondContact O-CB 3.27Å; Q271-L410 HydrophobicContact CB-CB 4.27Å; Q271-L410 PolarHBondContact N-O 2.96Å; Q271-L410 PolarHBondContact O-N 3.25Å; Q271-L412 HydrophobicContact CB-CD1 4.42Å
272Y98.1Very high98Very high31 Ų3129 Ų2912%0.12214%0.139CC..EExtended strand (participates in β ladder)trans-98.8-14.5-173.6-65.2-89.2000113.6I270 S276 V278 F305 V308 E309 L312 Y408 P409I270-Y272 HydrophobicContact CB-CE2 4Å; I270-Y272 HydrophobicContact CG2-CD2 4.32Å; I270-Y272 HydrophobicContact CG2-CE1 3.95Å; I270-Y272 HydrophobicContact CG2-CE2 3.66Å; I270-Y272 VanDerWaalsContact CG2-CZ 3.44Å; I270-Y272 WeakPolarHBondContact CG2-OH 3.3Å; I270-Y272 WeakPolarHBondContact O-CD2 3.29Å; I270-Y272 WeakPolarHBondContact O-CE2 3.09Å; Y272-S276 PolarHBondContact N-O 2.78Å; Y272-V278 HydrophobicContact CE2-CG2 4.18Å; Y272-F305 HydrophobicContact CE1-CD2 4.49Å; Y272-F305 PolarHBondContact OH-O 2.91Å; Y272-V308 HydrophobicContact CE2-CG1 4.26Å; Y272-V308 WeakPolarHBondContact OH-CB 3.31Å; Y272-V308 WeakPolarHBondContact OH-CG1 3.29Å; Y272-E309 HydrophobicContact CD1-CB 4.27Å; Y272-E309 HydrophobicContact CD1-CG 3.84Å; Y272-E309 HydrophobicContact CE1-CB 3.56Å; Y272-E309 HydrophobicContact CE1-CG 3.66Å; Y272-E309 HydrophobicContact CE2-CB 4.38Å; Y272-E309 HydrophobicContact CG-CG 4.37Å; Y272-E309 PolarHBondContact OH-N 3.26Å; Y272-E309 VanDerWaalsContact OH-N 3.08Å; Y272-L312 HydrophobicContact CD2-CD2 3.6Å; Y272-L312 HydrophobicContact CE2-CD2 4.41Å; Y272-L312 HydrophobicContact CG-CD2 4.04Å; Y272-Y408 WeakPolarHBondContact O-CB 2.98Å; Y272-P409 HydrophobicContact CD1-CB 4.04Å; Y272-P409 HydrophobicContact CE1-CB 4.27Å
273S98.1Very high98.2Very high43 Ų4325 Ų2530%0.30113%0.125SC..EExtended strand (participates in β ladder)trans-160.4176.4172.967.50000109.4Q271 D275 S276 Y408Q271-S273 WeakPolarHBondContact CG-O 3.38Å; Q271-S273 PolarHBondContact NE2-O 2.83Å; S273-D275 PolarHBondContact O-N 3.38Å; S273-D275 VanDerWaalsContact O-N 3.12Å; S273-S276 PolarHBondContact N-O 2.98Å; S273-S276 PolarHBondContact O-N 2.79Å; S273-S276 WeakPolarHBondContact OG-CB 3.21Å; S273-S276 PolarHBondContact OG-N 3.4Å; S273-Y408 VanDerWaalsContact C-CE1 3.41Å; S273-Y408 VanDerWaalsContact C-CZ 3.44Å
274L97.9Very high98.2Very high41 Ų4117.8 Ų17.822%0.21510%0.1CC..THydrogen-bonded Turntrans-53.9-36.1178.2-171.764.7000112.4L248 Q271 I398 H402 Y408L248-L274 HydrophobicContact CD1-CD1 4.42Å; L248-L274 HydrophobicContact CD2-CD1 4.04Å; Q271-L274 PolarHBondContact NE2-O 2.96Å; Q271-L274 VanDerWaalsContact NE2-O 3.09Å; L274-I398 HydrophobicContact CD1-CG2 4.02Å; L274-H402 HydrophobicContact CD1-CB 3.92Å; L274-Y408 VanDerWaalsContact CA-OH 3.26Å; L274-Y408 WeakPolarHBondContact CA-OH 3.36Å; L274-Y408 PolarHBondContact N-OH 3.09Å; L274-Y408 VanDerWaalsContact N-OH 3.15Å
275D98Very high98.2Very high84 Ų8418.1 Ų18.145%0.44910%0.103SC..THydrogen-bonded Turntrans-11617.1-172.9-64.8-56.2000113.8R246 G247 L248 S273R246-D275 CarbonylContact C-O 3.59Å; R246-D275 VanDerWaalsContact CA-O 3.22Å; R246-D275 WeakPolarHBondContact CA-O 3.32Å; G247-D275 PolarHBondContact N-O 2.99Å; L248-D275 PolarHBondContact N-OD1 3.38Å; S273-D275 PolarHBondContact O-N 3.38Å; S273-D275 VanDerWaalsContact O-N 3.12Å
276S98.5Very high98.3Very high12 Ų1219.8 Ų19.88%0.08411%0.111CC..EExtended strand (participates in β ladder)trans-148.9124.4178.7-62.20000112.8R246 Y272 S273R246-S276 PolarHBondContact NH1-OG 3.28Å; R246-S276 VanDerWaalsContact NH1-OG 3.14Å; Y272-S276 PolarHBondContact N-O 2.78Å; S273-S276 PolarHBondContact N-O 2.98Å; S273-S276 PolarHBondContact O-N 2.79Å; S273-S276 WeakPolarHBondContact OG-CB 3.21Å; S273-S276 PolarHBondContact OG-N 3.4Å
277A98.7Very high98.1Very high1 Ų127.2 Ų27.21%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-141.7167.7176.800000111.3V245 I251 I270 Q271V245-A277 PolarHBondContact N-O 3.01Å; V245-A277 PolarHBondContact O-N 2.6Å; I251-A277 HydrophobicContact CD1-CB 3.86Å; I251-A277 HydrophobicContact CG1-CB 3.95Å; I251-A277 HydrophobicContact CG2-CB 3.76Å; I270-A277 CarbonylContact O-C 3.4Å; I270-A277 VanDerWaalsContact O-CA 3.31Å; I270-A277 WeakPolarHBondContact O-CA 3.29Å; Q271-A277 HydrophobicContact CB-CB 3.86Å; Q271-A277 HydrophobicContact CG-CB 4.05Å
278V98.9Very high98Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-117.2120.4162.9-176.70000107.8Y242 E243 G269 I270 Y272 M280 V308 L312Y242-V278 HydrophobicContact CD1-CG1 4.35Å; E243-V278 CarbonylContact O-C 3.6Å; E243-V278 WeakPolarHBondContact O-CA 3.21Å; G269-V278 WeakPolarHBondContact CA-O 3.46Å; I270-V278 PolarHBondContact N-O 3.3Å; I270-V278 PolarHBondContact O-N 3.09Å; Y272-V278 HydrophobicContact CE2-CG2 4.18Å; V278-M280 HydrophobicContact CG1-CG 4.14Å; V278-V308 HydrophobicContact CB-CG1 3.53Å; V278-V308 HydrophobicContact CG1-CG1 3.78Å; V278-V308 HydrophobicContact CG2-CG1 3.83Å; V278-L312 HydrophobicContact CG2-CB 3.76Å
279V98.8Very high97.9Very high2 Ų231.8 Ų31.81%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-91127170.91780000107.7E243 V245 R254 F255 A258E243-V279 WeakPolarHBondContact CB-O 3.42Å; E243-V279 PolarHBondContact N-O 2.8Å; E243-V279 PolarHBondContact O-N 3.27Å; V245-V279 HydrophobicContact CG2-CB 4.44Å; V245-V279 HydrophobicContact CG2-CG2 4.01Å; R254-V279 HydrophobicContact CG-CG2 4.4Å; F255-V279 HydrophobicContact CB-CG2 4.21Å; F255-V279 HydrophobicContact CD2-CG1 4.33Å; F255-V279 HydrophobicContact CD2-CG2 4.45Å; A258-V279 HydrophobicContact CB-CG1 4.1Å
280M98.8Very high97.7Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-112.8134.5-179.3-64.4171.4-74.300109.8L240 H241 Y242 V267 E268 I270 V278 F304 V308L240-M280 HydrophobicContact CD1-CB 4.23Å; H241-M280 VanDerWaalsContact O-CA 3.22Å; H241-M280 WeakPolarHBondContact O-CA 3.29Å; Y242-M280 HydrophobicContact CD1-CG 3.59Å; Y242-M280 HydrophobicContact CD1-SD 3.68Å; Y242-M280 HydrophobicContact CE1-CG 4.03Å; Y242-M280 HydrophobicContact CE1-SD 3.58Å; Y242-M280 VanDerWaalsContact CE1-SD 3.58Å; Y242-M280 HydrophobicContact CG-CG 4.5Å; V267-M280 WeakPolarHBondContact CA-O 3.49Å; E268-M280 HydrophobicContact CB-CE 3.96Å; E268-M280 HydrophobicContact CG-CE 3.59Å; E268-M280 PolarHBondContact N-O 3.07Å; E268-M280 WeakPolarHBondContact O-CA 3.19Å; E268-M280 WeakPolarHBondContact O-CB 3.49Å; E268-M280 PolarHBondContact O-N 3.14Å; E268-M280 VanDerWaalsContact OE2-CE 3.26Å; E268-M280 WeakPolarHBondContact OE2-CE 3.47Å; I270-M280 HydrophobicContact CD1-CE 3.95Å; I270-M280 HydrophobicContact CG1-CE 3.75Å; V278-M280 HydrophobicContact CG1-CG 4.14Å; M280-F304 HydrophobicContact CE-CE1 4.23Å; M280-F304 HydrophobicContact CE-CZ 4.46Å; M280-F304 HydrophobicContact SD-CE1 4.07Å; M280-F304 HydrophobicContact SD-CZ 3.73Å; M280-V308 HydrophobicContact CE-CG1 4.31Å; M280-V308 HydrophobicContact CE-CG2 4.29Å; M280-V308 HydrophobicContact SD-CG1 4.05Å; M280-V308 HydrophobicContact SD-CG2 3.59Å; M280-V308 VanDerWaalsContact SD-CG2 3.59Å
281T98.8Very high97.6Very high13 Ų1343.1 Ų43.18%0.0824%0.238CC..EExtended strand (participates in β ladder)trans-131140175.850.70000109.1H241 A258 F266 V267H241-T281 PolarHBondContact N-O 3.07Å; H241-T281 PolarHBondContact O-N 3.29Å; H241-T281 VanDerWaalsContact O-N 3.1Å; A258-T281 HydrophobicContact CB-CG2 3.72Å; F266-T281 CarbonylContact O-C 3.59Å; F266-T281 WeakPolarHBondContact O-CA 3.3Å; V267-T281 HydrophobicContact CG2-CG2 4.34Å
282G98.1Very high97.5Very high2 Ų246.7 Ų46.72%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-148.9156.5-174.100000114.9K239 T265 F266K239-G282 WeakPolarHBondContact O-CA 3.42Å; T265-G282 WeakPolarHBondContact CA-O 3.33Å; T265-G282 PolarHBondContact N-O 2.83Å; F266-G282 PolarHBondContact N-O 3.18Å; F266-G282 PolarHBondContact O-N 3.1Å
283T97.9Very high97.5Very high49 Ų4947.4 Ų47.430%0.30126%0.259SS..EExtended strand (participates in β ladder)trans-135.6148.6175.351.50000110.6V238 K239 R263V238-T283 CarbonylContact C-O 3.53Å; V238-T283 WeakPolarHBondContact CA-O 3.01Å; K239-T283 PolarHBondContact N-O 3.5Å; K239-T283 PolarHBondContact O-N 3.42Å; R263-T283 VanDerWaalsContact O-CG2 3.29Å; R263-T283 WeakPolarHBondContact O-CG2 3.19Å
284M96.8Very high97.5Very high41 Ų4145.8 Ų45.820%0.20225%0.247CC..EExtended strand (participates in β ladder)trans-77.2135.6173.6-72.4-165.9-92.600110.8R235 W237 T265 F266 L324R235-M284 HydrophobicContact CB-CB 3.85Å; R235-M284 HydrophobicContact CG-CB 3.62Å; W237-M284 CarbonylContact O-C 3.5Å; W237-M284 WeakPolarHBondContact O-CA 3.23Å; T265-M284 HydrophobicContact CG2-CE 3.8Å; T265-M284 HydrophobicContact CG2-CG 4.48Å; F266-M284 HydrophobicContact CE2-CG 3.53Å; F266-M284 HydrophobicContact CZ-CE 4.28Å; F266-M284 HydrophobicContact CZ-CG 3.76Å; F266-M284 HydrophobicContact CZ-SD 4.21Å; M284-L324 HydrophobicContact CG-CD1 4.15Å; M284-L324 HydrophobicContact SD-CD1 3.97Å; M284-L324 HydrophobicContact SD-CD2 4.3Å
285T97.2Very high97.5Very high30 Ų3050 Ų5018%0.18426%0.26CS..EExtended strand (participates in β ladder)trans-149.2147.9-178.3178.70000112.2S236 W237 K239 H287 F321S236-T285 PolarHBondContact N-O 3.36Å; W237-T285 HydrophobicContact CB-CG2 4.02Å; W237-T285 PolarHBondContact N-O 2.88Å; W237-T285 PolarHBondContact O-N 3.16Å; K239-T285 HydrophobicContact CB-CG2 3.97Å; T285-H287 VanDerWaalsContact CG2-O 3.24Å; T285-H287 WeakPolarHBondContact CG2-O 3.3Å; T285-H287 PolarHBondContact OG1-N 2.75Å; T285-H287 PolarHBondContact OG1-O 2.81Å; T285-F321 HydrophobicContact CG2-CD1 3.87Å; T285-F321 HydrophobicContact CG2-CE1 3.91Å
286D97.1Very high97.3Very high65 Ų6546.7 Ų46.735%0.34824%0.242SC..SBendtrans-90.1-13.3171-70.2-43000112.9R235 S236R235-D286 WeakPolarHBondContact CA-OD1 3.31Å; R235-D286 WeakPolarHBondContact CD-OD2 3.42Å; R235-D286 IonicContact CZ-OD2 2.88Å; R235-D286 IonicContact NE-OD2 3.35Å; R235-D286 IonicContact NH1-OD2 3.76Å; R235-D286 PolarHBondContact NH1-OD2 3.49Å; S236-D286 PolarHBondContact N-OD1 3.12Å; S236-D286 PolarHBondContact OG-OD1 3.48Å
287H95.4Very high97Very high157 Ų15747.9 Ų47.973%0.72726%0.256SS*.  trans-104.3128179.3-56.6-68.5000110.3T285 F321T285-H287 VanDerWaalsContact CG2-O 3.24Å; T285-H287 WeakPolarHBondContact CG2-O 3.3Å; T285-H287 PolarHBondContact OG1-N 2.75Å; T285-H287 PolarHBondContact OG1-O 2.81Å; H287-F321 VanDerWaalsContact O-CE1 3.23Å; H287-F321 WeakPolarHBondContact O-CE1 3.42Å
288A96.6Very high96.7Very high27 Ų2750.7 Ų50.722%0.22327%0.271CS..  trans-126137.7174.800000110.5W237 P290 I293 F321W237-A288 HydrophobicContact CD2-CB 3.9Å; W237-A288 HydrophobicContact CG-CB 3.85Å; A288-P290 WeakPolarHBondContact O-CD 3.5Å; A288-I293 HydrophobicContact CB-CD1 4.02Å; A288-I293 HydrophobicContact CB-CG1 3.85Å; A288-F321 HydrophobicContact CB-CB 3.66Å; A288-F321 HydrophobicContact CB-CD1 3.76Å; A288-F321 HydrophobicContact CB-CD2 4.28Å; A288-F321 HydrophobicContact CB-CE1 4.45Å; A288-F321 HydrophobicContact CB-CG 3.64Å
289E96.6Very high96.4Very high69 Ų6954 Ų5432%0.32229%0.286SS..  trans-72.8115.9169.8-64.8165.2-122.400107.8D291 K292 I293 M319 F321E289-D291 PolarHBondContact O-N 3.09Å; E289-D291 VanDerWaalsContact O-N 3.15Å; E289-K292 HydrophobicContact CB-CB 4.31Å; E289-K292 HydrophobicContact CB-CD 4.34Å; E289-K292 HydrophobicContact CB-CG 4.49Å; E289-K292 PolarHBondContact O-N 2.94Å; E289-K292 WeakPolarHBondContact OE2-CD 3.43Å; E289-K292 WeakPolarHBondContact OE2-CE 3.43Å; E289-K292 IonicContact OE2-NZ 3.82Å; E289-K292 PolarHBondContact OE2-NZ 3.45Å; E289-I293 PolarHBondContact O-N 3.23Å; E289-M319 VanDerWaalsContact OE1-CE 3.25Å; E289-M319 WeakPolarHBondContact OE1-CE 3.24Å; E289-F321 HydrophobicContact CB-CD2 4.25Å; E289-F321 HydrophobicContact CB-CE2 3.64Å; E289-F321 HydrophobicContact CB-CZ 4.33Å; E289-F321 HydrophobicContact CG-CE2 3.78Å; E289-F321 HydrophobicContact CG-CZ 4.02Å; E289-F321 WeakPolarHBondContact OE1-CZ 3.06Å
290P94.4Very high96.1Very high109 Ų10958.2 Ų58.271%0.70830%0.304SS*.G310 helixtrans-57.4-33.2-167.9-29.136.3000115.2A288 K292A288-P290 WeakPolarHBondContact O-CD 3.5Å; P290-K292 VanDerWaalsContact C-N 3.29Å; P290-K292 PolarHBondContact O-N 3.22Å
291D96.4Very high96Very high129 Ų12961.4 Ų61.469%0.6932%0.318SS*.G310 helixtrans-71.6-20.917861-49.2000113.3E289E289-D291 PolarHBondContact O-N 3.09Å; E289-D291 VanDerWaalsContact O-N 3.15Å
292K97.1Very high95.9Very high76 Ų7662.8 Ų62.833%0.3333%0.327SS..G310 helixtrans-105.68.2-179.3-63.5178.7-172.1160.90113.3E289 P290 N294 M319 E320 F321E289-K292 HydrophobicContact CB-CB 4.31Å; E289-K292 HydrophobicContact CB-CD 4.34Å; E289-K292 HydrophobicContact CB-CG 4.49Å; E289-K292 PolarHBondContact O-N 2.94Å; E289-K292 WeakPolarHBondContact OE2-CD 3.43Å; E289-K292 WeakPolarHBondContact OE2-CE 3.43Å; E289-K292 IonicContact OE2-NZ 3.82Å; E289-K292 PolarHBondContact OE2-NZ 3.45Å; P290-K292 VanDerWaalsContact C-N 3.29Å; P290-K292 PolarHBondContact O-N 3.22Å; K292-N294 PolarHBondContact O-N 3.12Å; K292-M319 HydrophobicContact CD-CE 3.44Å; K292-M319 VanDerWaalsContact CD-CE 3.44Å; K292-M319 HydrophobicContact CD-SD 4.1Å; K292-E320 WeakPolarHBondContact O-CA 3.29Å; K292-F321 HydrophobicContact CB-CD2 3.85Å; K292-F321 HydrophobicContact CB-CE2 4.16Å; K292-F321 PolarHBondContact O-N 2.81Å
293I98.1Very high95.8Very high46 Ų4663 Ų6324%0.23633%0.327CS..BIsolated β-bridgetrans-70.9118.6175.7-69.9173.5000109.9W237 A288 E289 R295 F321W237-I293 HydrophobicContact CE3-CG2 4.49Å; W237-I293 HydrophobicContact CH2-CD1 3.99Å; W237-I293 HydrophobicContact CH2-CG1 4.26Å; W237-I293 HydrophobicContact CH2-CG2 3.66Å; W237-I293 HydrophobicContact CZ2-CD1 4.1Å; W237-I293 HydrophobicContact CZ3-CB 4.46Å; W237-I293 HydrophobicContact CZ3-CD1 4.49Å; W237-I293 HydrophobicContact CZ3-CG1 4.26Å; W237-I293 HydrophobicContact CZ3-CG2 3.5Å; A288-I293 HydrophobicContact CB-CD1 4.02Å; A288-I293 HydrophobicContact CB-CG1 3.85Å; E289-I293 PolarHBondContact O-N 3.23Å; I293-R295 HydrophobicContact CG2-CG 4.2Å; I293-F321 WeakPolarHBondContact CA-O 3.34Å; I293-F321 HydrophobicContact CG1-CB 4.36Å
294N97.6Very high95.8Very high8 Ų860.9 Ų60.94%0.04331%0.314CS..  trans-116107173.3-167.314000111.6K292 I296 K301 H307 E320 F321 P323K292-N294 PolarHBondContact O-N 3.12Å; N294-I296 VanDerWaalsContact C-N 3.32Å; N294-I296 HydrophobicContact CB-CG2 4.38Å; N294-I296 WeakPolarHBondContact ND2-CG2 3.32Å; N294-I296 PolarHBondContact O-N 3.17Å; N294-I296 VanDerWaalsContact O-N 3.08Å; N294-K301 PolarHBondContact OD1-NZ 2.97Å; N294-H307 PolarHBondContact ND2-CE1 2.8Å; N294-H307 PolarHBondContact ND2-NE2 2.9Å; N294-E320 HydrophobicContact CB-CB 4.18Å; N294-E320 HydrophobicContact CB-CG 4.33Å; N294-E320 WeakPolarHBondContact CB-OE2 3.17Å; N294-E320 PolarHBondContact ND2-OE2 2.76Å; N294-F321 PolarHBondContact N-O 3.08Å; N294-P323 WeakPolarHBondContact O-CD 3.45Å
295R96.9Very high95.8Very high131 Ų13159 Ų5949%0.49431%0.305SS..  trans-83.474.7173.6-61.5-176.5-177.6103.8-0.7110.5I293 G297 L298 P323I293-R295 HydrophobicContact CG2-CG 4.2Å; R295-G297 PolarHBondContact O-N 3.38Å; R295-G297 VanDerWaalsContact O-N 3.12Å; R295-L298 HydrophobicContact CB-CD1 3.76Å; R295-L298 HydrophobicContact CB-CG 3.9Å; R295-L298 WeakPolarHBondContact O-CG 3.36Å; R295-L298 PolarHBondContact O-N 2.84Å; R295-L298 VanDerWaalsContact O-N 3.15Å; R295-P323 HydrophobicContact CG-CG 4.1Å
296I95.3Very high95.8Very high13 Ų1360.4 Ų60.47%0.06731%0.309CS..THydrogen-bonded Turntrans-58.9-23.2-176.966.3171.5000114N294 L298 F304 I322 Q326 R330N294-I296 VanDerWaalsContact C-N 3.32Å; N294-I296 HydrophobicContact CB-CG2 4.38Å; N294-I296 WeakPolarHBondContact ND2-CG2 3.32Å; N294-I296 PolarHBondContact O-N 3.17Å; N294-I296 VanDerWaalsContact O-N 3.08Å; I296-L298 PolarHBondContact O-N 3.15Å; I296-F304 HydrophobicContact CD1-CD2 3.81Å; I296-F304 HydrophobicContact CD1-CE2 4.24Å; I296-I322 HydrophobicContact CD1-CD1 4.28Å; I296-I322 HydrophobicContact CD1-CG2 3.8Å; I296-I322 HydrophobicContact CG1-CG2 3.76Å; I296-I322 HydrophobicContact CG2-CD1 4.23Å; I296-I322 HydrophobicContact CG2-CG1 4.4Å; I296-Q326 HydrophobicContact CG1-CB 3.97Å; I296-R330 HydrophobicContact CD1-CB 3.62Å
297G90.7Very high95.9Very high37 Ų3758.7 Ų58.738%0.38130%0.298SS..THydrogen-bonded Turntrans-73.2-8.5178.900000114.5R295 H299R295-G297 PolarHBondContact O-N 3.38Å; R295-G297 VanDerWaalsContact O-N 3.12Å; G297-H299 PolarHBondContact O-N 2.88Å
298L94.3Very high96Very high61 Ų6151.2 Ų51.232%0.31926%0.264SS..SBendtrans-67.1127.7175.5-65.5173.1000110.2R295 I296 F300 K301 R333R295-L298 HydrophobicContact CB-CD1 3.76Å; R295-L298 HydrophobicContact CB-CG 3.9Å; R295-L298 WeakPolarHBondContact O-CG 3.36Å; R295-L298 PolarHBondContact O-N 2.84Å; R295-L298 VanDerWaalsContact O-N 3.15Å; I296-L298 PolarHBondContact O-N 3.15Å; L298-F300 HydrophobicContact CB-CD1 4.36Å; L298-F300 HydrophobicContact CB-CE1 3.92Å; L298-F300 HydrophobicContact CB-CE2 4.39Å; L298-F300 HydrophobicContact CB-CZ 3.95Å; L298-F300 HydrophobicContact CD1-CE1 4.21Å; L298-F300 HydrophobicContact CD1-CE2 4.36Å; L298-F300 HydrophobicContact CD1-CZ 3.67Å; L298-F300 HydrophobicContact CG-CE1 4.44Å; L298-F300 HydrophobicContact CG-CZ 4.33Å; L298-F300 PolarHBondContact O-N 2.94Å; L298-K301 HydrophobicContact CB-CG 3.91Å; L298-K301 VanDerWaalsContact O-CB 3.29Å; L298-K301 WeakPolarHBondContact O-CB 3.41Å; L298-K301 PolarHBondContact O-N 2.72Å; L298-R333 PolarHBondContact O-NH1 2.87Å
299H91.4Very high96.1Very high68 Ų6851.2 Ų51.232%0.31526%0.259SS..THydrogen-bonded Turntrans-58.3-27.9-17161.2-92000114.7G297 R333 G356 W357G297-H299 PolarHBondContact O-N 2.88Å; H299-R333 VanDerWaalsContact C-NH2 3.35Å; H299-R333 PolarHBondContact O-NH2 2.81Å; H299-G356 WeakPolarHBondContact CB-O 3.25Å; H299-W357 HydrophobicContact CB-CB 3.92Å
300F93.1Very high96.1Very high91 Ų9150.6 Ų50.640%0.39926%0.262SS..THydrogen-bonded Turntrans-83.1-8176.859.1-98000113.6L298 R352L298-F300 HydrophobicContact CB-CD1 4.36Å; L298-F300 HydrophobicContact CB-CE1 3.92Å; L298-F300 HydrophobicContact CB-CE2 4.39Å; L298-F300 HydrophobicContact CB-CZ 3.95Å; L298-F300 HydrophobicContact CD1-CE1 4.21Å; L298-F300 HydrophobicContact CD1-CE2 4.36Å; L298-F300 HydrophobicContact CD1-CZ 3.67Å; L298-F300 HydrophobicContact CG-CE1 4.44Å; L298-F300 HydrophobicContact CG-CZ 4.33Å; L298-F300 PolarHBondContact O-N 2.94Å; F300-R352 PolarHBondContact O-NH1 3.29Å
301K96.1Very high96.3Very high68 Ų6846.4 Ų46.430%0.29623%0.233SC..SBendtrans-75.6152.6176.4-72.7-81.8-170.2155.80111.7N294 L298 R333 R352N294-K301 PolarHBondContact OD1-NZ 2.97Å; L298-K301 HydrophobicContact CB-CG 3.91Å; L298-K301 VanDerWaalsContact O-CB 3.29Å; L298-K301 WeakPolarHBondContact O-CB 3.41Å; L298-K301 PolarHBondContact O-N 2.72Å; K301-R333 PolarHBondContact O-NH1 3.25Å; K301-R352 WeakPolarHBondContact O-CD 2.99Å
302P96.4Very high96.3Very high41 Ų4140.9 Ų40.927%0.26620%0.203SC..PPolyproline II helixtrans-58.1154.9178.4-20.932.1000111.3N347 R352P302-N347 WeakPolarHBondContact CA-OD1 3.49Å; P302-R352 VanDerWaalsContact CD-NH1 3.32Å
303W96.5Very high96.3Very high6 Ų646 Ų462%0.02322%0.22CC..PPolyproline II helixtrans-58.1145.3167.6-62.9-24.3000110.8F305 K306 H307 L339 Q340 G346 N347W303-F305 HydrophobicContact CB-CD1 3.98Å; W303-F305 HydrophobicContact CB-CE1 3.81Å; W303-F305 HydrophobicContact CD2-CE1 4.29Å; W303-F305 AromaticContact CE3-CE1 3.61Å; W303-F305 HydrophobicContact CE3-CE1 3.61Å; W303-F305 AromaticContact CE3-CZ 3.96Å; W303-F305 HydrophobicContact CE3-CZ 3.96Å; W303-F305 HydrophobicContact CG-CE1 4.44Å; W303-F305 HydrophobicContact CZ3-CE1 4.49Å; W303-F305 PolarHBondContact O-N 3.4Å; W303-K306 WeakPolarHBondContact O-CA 3.43Å; W303-K306 PolarHBondContact O-N 3.01Å; W303-H307 PolarHBondContact O-N 2.83Å; W303-L339 HydrophobicContact CH2-CB 4.21Å; W303-L339 HydrophobicContact CH2-CD2 4.33Å; W303-L339 HydrophobicContact CH2-CG 4.09Å; W303-L339 HydrophobicContact CZ2-CB 4.35Å; W303-L339 HydrophobicContact CZ2-CD2 3.71Å; W303-L339 HydrophobicContact CZ2-CG 3.97Å; W303-Q340 HydrophobicContact CH2-CB 4.43Å; W303-Q340 HydrophobicContact CZ3-CB 3.7Å; W303-G346 VanDerWaalsContact CZ2-C 3.41Å; W303-N347 HydrophobicContact CD2-CB 4.01Å; W303-N347 HydrophobicContact CE3-CB 3.77Å; W303-N347 HydrophobicContact CZ3-CB 4.11Å; W303-N347 PolarHBondContact N-OD1 3.49Å
304F97.4Very high96.2Very high6 Ų645.9 Ų45.93%0.02623%0.23CC..Hα-helixtrans-57.3-49.2-168.8-179.7-107.7000112.3L240 Y242 I270 M280 I296 K306 H307 V308 R330 H331L240-F304 HydrophobicContact CD2-CE2 4.4Å; L240-F304 HydrophobicContact CD2-CZ 4.23Å; Y242-F304 HydrophobicContact CE1-CE2 4.43Å; Y242-F304 HydrophobicContact CE1-CZ 4.39Å; I270-F304 HydrophobicContact CD1-CD1 4.44Å; I270-F304 HydrophobicContact CD1-CE1 4.31Å; M280-F304 HydrophobicContact CE-CE1 4.23Å; M280-F304 HydrophobicContact CE-CZ 4.46Å; M280-F304 HydrophobicContact SD-CE1 4.07Å; M280-F304 HydrophobicContact SD-CZ 3.73Å; I296-F304 HydrophobicContact CD1-CD2 3.81Å; I296-F304 HydrophobicContact CD1-CE2 4.24Å; F304-K306 PolarHBondContact O-N 2.85Å; F304-H307 WeakPolarHBondContact O-CA 3.44Å; F304-H307 WeakPolarHBondContact O-CB 3.41Å; F304-H307 PolarHBondContact O-N 2.95Å; F304-V308 HydrophobicContact CD1-CG2 4.13Å; F304-V308 HydrophobicContact CD2-CG2 4.42Å; F304-V308 HydrophobicContact CE1-CG2 3.74Å; F304-V308 HydrophobicContact CE2-CG2 4.07Å; F304-V308 HydrophobicContact CG-CG2 4.45Å; F304-V308 HydrophobicContact CZ-CG2 3.69Å; F304-V308 WeakPolarHBondContact O-CG2 3.42Å; F304-V308 PolarHBondContact O-N 3.23Å; F304-R330 HydrophobicContact CB-CB 4.26Å; F304-R330 VanDerWaalsContact CB-O 3.3Å; F304-R330 WeakPolarHBondContact CB-O 3.45Å; F304-R330 HydrophobicContact CD1-CB 4.1Å; F304-R330 HydrophobicContact CD1-CG 3.84Å; F304-R330 HydrophobicContact CD2-CB 4.03Å; F304-R330 HydrophobicContact CE1-CB 4.49Å; F304-R330 VanDerWaalsContact CE1-CD 3.5Å; F304-R330 HydrophobicContact CE1-CG 3.98Å; F304-R330 HydrophobicContact CE2-CB 4.41Å; F304-R330 HydrophobicContact CG-CB 3.86Å; F304-R330 HydrophobicContact CG-CG 4.14Å; F304-R330 HydrophobicContact CZ-CG 4.39Å; F304-H331 AromaticContact CD1-CE1 3.63Å; F304-H331 AromaticContact CD1-ND1 3.95Å
305F97.4Very high96Very high0 Ų048.4 Ų48.40%026%0.258CS..Hα-helixtrans-62.6-26.1177.281.6-78.3000113.4I270 Y272 W303 E309 F336 W337 Q340 P409I270-F305 HydrophobicContact CD1-CB 4.02Å; Y272-F305 HydrophobicContact CE1-CD2 4.49Å; Y272-F305 PolarHBondContact OH-O 2.91Å; W303-F305 HydrophobicContact CB-CD1 3.98Å; W303-F305 HydrophobicContact CB-CE1 3.81Å; W303-F305 HydrophobicContact CD2-CE1 4.29Å; W303-F305 AromaticContact CE3-CE1 3.61Å; W303-F305 HydrophobicContact CE3-CE1 3.61Å; W303-F305 AromaticContact CE3-CZ 3.96Å; W303-F305 HydrophobicContact CE3-CZ 3.96Å; W303-F305 HydrophobicContact CG-CE1 4.44Å; W303-F305 HydrophobicContact CZ3-CE1 4.49Å; W303-F305 PolarHBondContact O-N 3.4Å; F305-E309 WeakPolarHBondContact O-CB 3.42Å; F305-E309 PolarHBondContact O-N 3.4Å; F305-F336 WeakPolarHBondContact CD1-O 3.33Å; F305-W337 HydrophobicContact CB-CE3 3.99Å; F305-W337 HydrophobicContact CB-CZ3 4.48Å; F305-W337 HydrophobicContact CD1-CB 3.9Å; F305-W337 HydrophobicContact CD2-CB 3.96Å; F305-W337 HydrophobicContact CD2-CE3 4.42Å; F305-W337 HydrophobicContact CE1-CB 3.59Å; F305-W337 HydrophobicContact CE2-CB 3.64Å; F305-W337 HydrophobicContact CG-CB 4.06Å; F305-W337 HydrophobicContact CG-CE3 4.12Å; F305-W337 HydrophobicContact CZ-CB 3.46Å; F305-W337 VanDerWaalsContact CZ-CB 3.46Å; F305-Q340 VanDerWaalsContact CZ-OE1 3.25Å; F305-P409 HydrophobicContact CD2-CG 4.24Å
306K97.5Very high96Very high61 Ų6147 Ų4727%0.26526%0.257SS..Hα-helixtrans-79.6-31.7173.5-69-59.1-172.5-171.30112.5W303 F304 E309 S310 N347W303-K306 WeakPolarHBondContact O-CA 3.43Å; W303-K306 PolarHBondContact O-N 3.01Å; F304-K306 PolarHBondContact O-N 2.85Å; K306-E309 WeakPolarHBondContact CD-OE2 3.24Å; K306-E309 IonicContact NZ-OE2 3.48Å; K306-E309 PolarHBondContact NZ-OE2 3.46Å; K306-S310 PolarHBondContact O-N 3.41Å; K306-N347 WeakPolarHBondContact CB-ND2 3.41Å
307H97.7Very high96.1Very high28 Ų2849.5 Ų49.513%0.1328%0.276CS..Hα-helixtrans-63.8-47.6169.6179.468.8000110.6N294 W303 F304 E309 S310 Y311 E320N294-H307 PolarHBondContact ND2-CE1 2.8Å; N294-H307 PolarHBondContact ND2-NE2 2.9Å; W303-H307 PolarHBondContact O-N 2.83Å; F304-H307 WeakPolarHBondContact O-CA 3.44Å; F304-H307 WeakPolarHBondContact O-CB 3.41Å; F304-H307 PolarHBondContact O-N 2.95Å; H307-E309 VanDerWaalsContact C-N 3.33Å; H307-E309 PolarHBondContact O-N 3.19Å; H307-S310 VanDerWaalsContact O-CB 3.29Å; H307-S310 WeakPolarHBondContact O-CB 3.35Å; H307-S310 PolarHBondContact O-N 3.18Å; H307-S310 VanDerWaalsContact O-N 3.07Å; H307-S310 PolarHBondContact O-OG 2.96Å; H307-Y311 AromaticContact NE2-CE2 3.78Å; H307-E320 IonicContact CD2-OE2 2.94Å; H307-E320 IonicContact CE1-OE1 2.66Å; H307-E320 PolarHBondContact CE1-OE1 2.88Å; H307-E320 IonicContact CE1-OE2 2.84Å; H307-E320 VanDerWaalsContact NE2-CD 3.33Å; H307-E320 IonicContact NE2-OE1 3.29Å; H307-E320 PolarHBondContact NE2-OE1 3.05Å; H307-E320 IonicContact NE2-OE2 2.77Å; H307-E320 PolarHBondContact NE2-OE2 2.74Å
308V98.3Very high96.4Very high0 Ų048.5 Ų48.50%027%0.265CS..Hα-helixtrans-58.3-43.6174.6176.30000111.5Y242 I270 Y272 V278 M280 F304 S310 Y311Y242-V308 HydrophobicContact CD1-CG2 4.24Å; Y242-V308 HydrophobicContact CE1-CG2 3.82Å; I270-V308 HydrophobicContact CB-CG1 4.37Å; I270-V308 HydrophobicContact CD1-CB 4.26Å; I270-V308 HydrophobicContact CD1-CG1 4.2Å; I270-V308 HydrophobicContact CD1-CG2 4.16Å; Y272-V308 HydrophobicContact CE2-CG1 4.26Å; Y272-V308 WeakPolarHBondContact OH-CB 3.31Å; Y272-V308 WeakPolarHBondContact OH-CG1 3.29Å; V278-V308 HydrophobicContact CB-CG1 3.53Å; V278-V308 HydrophobicContact CG1-CG1 3.78Å; V278-V308 HydrophobicContact CG2-CG1 3.83Å; M280-V308 HydrophobicContact CE-CG1 4.31Å; M280-V308 HydrophobicContact CE-CG2 4.29Å; M280-V308 HydrophobicContact SD-CG1 4.05Å; M280-V308 HydrophobicContact SD-CG2 3.59Å; M280-V308 VanDerWaalsContact SD-CG2 3.59Å; F304-V308 HydrophobicContact CD1-CG2 4.13Å; F304-V308 HydrophobicContact CD2-CG2 4.42Å; F304-V308 HydrophobicContact CE1-CG2 3.74Å; F304-V308 HydrophobicContact CE2-CG2 4.07Å; F304-V308 HydrophobicContact CG-CG2 4.45Å; F304-V308 HydrophobicContact CZ-CG2 3.69Å; F304-V308 WeakPolarHBondContact O-CG2 3.42Å; F304-V308 PolarHBondContact O-N 3.23Å; V308-S310 PolarHBondContact O-N 3.37Å; V308-S310 VanDerWaalsContact O-N 3.12Å; V308-Y311 PolarHBondContact O-N 2.92Å; V308-Y311 VanDerWaalsContact O-N 3.16Å
309E98Very high96.5Very high27 Ų2747.5 Ų47.513%0.12626%0.259CS..Hα-helixtrans-58.8-27.7178.1-164.1-178.5175.500112.4Y272 F305 K306 H307 Y311 L312 R313Y272-E309 HydrophobicContact CD1-CB 4.27Å; Y272-E309 HydrophobicContact CD1-CG 3.84Å; Y272-E309 HydrophobicContact CE1-CB 3.56Å; Y272-E309 HydrophobicContact CE1-CG 3.66Å; Y272-E309 HydrophobicContact CE2-CB 4.38Å; Y272-E309 HydrophobicContact CG-CG 4.37Å; Y272-E309 PolarHBondContact OH-N 3.26Å; Y272-E309 VanDerWaalsContact OH-N 3.08Å; F305-E309 WeakPolarHBondContact O-CB 3.42Å; F305-E309 PolarHBondContact O-N 3.4Å; K306-E309 WeakPolarHBondContact CD-OE2 3.24Å; K306-E309 IonicContact NZ-OE2 3.48Å; K306-E309 PolarHBondContact NZ-OE2 3.46Å; H307-E309 VanDerWaalsContact C-N 3.33Å; H307-E309 PolarHBondContact O-N 3.19Å; E309-Y311 VanDerWaalsContact C-N 3.33Å; E309-Y311 PolarHBondContact O-N 3.29Å; E309-L312 WeakPolarHBondContact O-CB 3.38Å; E309-L312 PolarHBondContact O-N 2.85Å; E309-R313 VanDerWaalsContact CD-NH2 3.33Å; E309-R313 HydrophobicContact CG-CG 4.46Å; E309-R313 WeakPolarHBondContact O-CG 3.41Å; E309-R313 PolarHBondContact O-N 3.07Å; E309-R313 IonicContact OE1-CZ 3.14Å; E309-R313 VanDerWaalsContact OE1-CZ 3.31Å; E309-R313 IonicContact OE1-NE 3.53Å; E309-R313 PolarHBondContact OE1-NE 2.93Å; E309-R313 VanDerWaalsContact OE1-NE 3.14Å; E309-R313 IonicContact OE1-NH2 2.81Å; E309-R313 PolarHBondContact OE1-NH2 3.47Å; E309-R313 IonicContact OE2-NH2 2.7Å
310S97.7Very high96.9Very high56 Ų5645.2 Ų45.239%0.39225%0.249SC..Hα-helixtrans-65.6-34.3-18079.30000113K306 H307 V308 R313 G314K306-S310 PolarHBondContact O-N 3.41Å; H307-S310 VanDerWaalsContact O-CB 3.29Å; H307-S310 WeakPolarHBondContact O-CB 3.35Å; H307-S310 PolarHBondContact O-N 3.18Å; H307-S310 VanDerWaalsContact O-N 3.07Å; H307-S310 PolarHBondContact O-OG 2.96Å; V308-S310 PolarHBondContact O-N 3.37Å; V308-S310 VanDerWaalsContact O-N 3.12Å; S310-R313 PolarHBondContact O-N 3.19Å; S310-G314 PolarHBondContact O-N 3.24Å
311Y98.2Very high97.1Very high22 Ų2241.2 Ų41.29%0.08623%0.231CC..Hα-helixtrans-65.2-40.6173.5-73.4-76.7000111.3Y242 P244 H307 V308 E309 G314 G315 H316 E320Y242-Y311 HydrophobicContact CD1-CD2 4.03Å; Y242-Y311 HydrophobicContact CD1-CE2 4.16Å; Y242-Y311 HydrophobicContact CD2-CD2 4.01Å; Y242-Y311 HydrophobicContact CD2-CE1 4.34Å; Y242-Y311 AromaticContact CD2-CE2 3.47Å; Y242-Y311 HydrophobicContact CD2-CE2 3.47Å; Y242-Y311 VanDerWaalsContact CD2-CE2 3.47Å; Y242-Y311 AromaticContact CD2-CZ 3.66Å; Y242-Y311 HydrophobicContact CE1-CE2 4.42Å; Y242-Y311 AromaticContact CE2-CE2 3.75Å; Y242-Y311 HydrophobicContact CE2-CE2 3.75Å; Y242-Y311 AromaticContact CG-CD2 3.69Å; Y242-Y311 HydrophobicContact CG-CD2 3.69Å; Y242-Y311 AromaticContact CG-CE2 3.67Å; Y242-Y311 HydrophobicContact CG-CE2 3.67Å; Y242-Y311 HydrophobicContact CG-CG 4.2Å; P244-Y311 VanDerWaalsContact CG-O 3.32Å; P244-Y311 WeakPolarHBondContact CG-O 3.28Å; H307-Y311 AromaticContact NE2-CE2 3.78Å; V308-Y311 PolarHBondContact O-N 2.92Å; V308-Y311 VanDerWaalsContact O-N 3.16Å; E309-Y311 VanDerWaalsContact C-N 3.33Å; E309-Y311 PolarHBondContact O-N 3.29Å; Y311-G314 PolarHBondContact O-N 3.36Å; Y311-G315 PolarHBondContact O-N 3.15Å; Y311-H316 AromaticContact CD1-NE2 3.87Å; Y311-H316 PolarHBondContact O-N 3.35Å; Y311-E320 VanDerWaalsContact OH-CD 3.27Å; Y311-E320 PolarHBondContact OH-OE1 2.87Å
312L97.1Very high97.2Very high12 Ų1238 Ų386%0.06322%0.217CC..Hα-helixtrans-64.5-44.7176.3-18062.2000112.5P244 Y272 V278 E309 G315P244-L312 HydrophobicContact CB-CD1 4.07Å; Y272-L312 HydrophobicContact CD2-CD2 3.6Å; Y272-L312 HydrophobicContact CE2-CD2 4.41Å; Y272-L312 HydrophobicContact CG-CD2 4.04Å; V278-L312 HydrophobicContact CG2-CB 3.76Å; E309-L312 WeakPolarHBondContact O-CB 3.38Å; E309-L312 PolarHBondContact O-N 2.85Å; L312-G315 PolarHBondContact O-N 3.45Å
313R96.6Very high97.3Very high183 Ų18337.1 Ų37.169%0.69121%0.212SC*.Hα-helixtrans-68.3-36.6177.7-68.8177.2-177.6-161.6-0.3112.2E309 S310 G315E309-R313 VanDerWaalsContact CD-NH2 3.33Å; E309-R313 HydrophobicContact CG-CG 4.46Å; E309-R313 WeakPolarHBondContact O-CG 3.41Å; E309-R313 PolarHBondContact O-N 3.07Å; E309-R313 IonicContact OE1-CZ 3.14Å; E309-R313 VanDerWaalsContact OE1-CZ 3.31Å; E309-R313 IonicContact OE1-NE 3.53Å; E309-R313 PolarHBondContact OE1-NE 2.93Å; E309-R313 VanDerWaalsContact OE1-NE 3.14Å; E309-R313 IonicContact OE1-NH2 2.81Å; E309-R313 PolarHBondContact OE1-NH2 3.47Å; E309-R313 IonicContact OE2-NH2 2.7Å; S310-R313 PolarHBondContact O-N 3.19Å; R313-G315 VanDerWaalsContact C-N 3.28Å
314G95.6Very high97.3Very high44 Ų4437 Ų3745%0.45421%0.212SC..Hα-helixtrans-76.4-12.1177.300000114.1S310 Y311 H316S310-G314 PolarHBondContact O-N 3.24Å; Y311-G314 PolarHBondContact O-N 3.36Å; G314-H316 VanDerWaalsContact C-ND1 3.34Å; G314-H316 PolarHBondContact O-N 3.37Å; G314-H316 PolarHBondContact O-ND1 3.05Å
315G94.6Very high97.3Very high61 Ų6141 Ų4163%0.62923%0.227SC*.THydrogen-bonded Turntrans63.125.2177.100000114.5Y311 L312 R313Y311-G315 PolarHBondContact O-N 3.15Å; L312-G315 PolarHBondContact O-N 3.45Å; R313-G315 VanDerWaalsContact C-N 3.28Å
316H95.1Very high97.2Very high102 Ų10243.3 Ų43.347%0.47224%0.237SC..  trans-133.5146.5-178.962.7-82.9000110.8P244 Y311 G314P244-H316 WeakPolarHBondContact CG-O 3.16Å; Y311-H316 AromaticContact CD1-NE2 3.87Å; Y311-H316 PolarHBondContact O-N 3.35Å; G314-H316 VanDerWaalsContact C-ND1 3.34Å; G314-H316 PolarHBondContact O-N 3.37Å; G314-H316 PolarHBondContact O-ND1 3.05Å
317S97.5Very high97.3Very high65 Ų6540.4 Ų40.446%0.45523%0.225SC..  trans-77.2157.4168.8-57.10000110.7Y242Y242-S317 WeakPolarHBondContact O-CA 3.16Å; Y242-S317 VanDerWaalsContact O-CB 3.24Å; Y242-S317 WeakPolarHBondContact O-CB 3.22Å
318G97.3Very high97.2Very high16 Ų1639.1 Ų39.117%0.16522%0.219CC..EExtended strand (participates in β ladder)trans-149.3168178.300000112.9H241 Y242H241-G318 CarbonylContact C-O 3.53Å; H241-G318 WeakPolarHBondContact CA-O 3.4Å; H241-G318 PolarHBondContact CD2-O 3.07Å; H241-G318 VanDerWaalsContact CD2-O 3.29Å; Y242-G318 PolarHBondContact N-O 3.37Å; Y242-G318 PolarHBondContact O-N 2.82Å; Y242-G318 VanDerWaalsContact O-N 3.07Å
319M97.9Very high97.1Very high40 Ų4039.7 Ų39.720%0.19722%0.222CC..EExtended strand (participates in β ladder)trans-140.5133.6177.2179.4-84.1-69.400109.7K239 L240 E289 K292 F321K239-M319 HydrophobicContact CD-SD 4.41Å; K239-M319 HydrophobicContact CG-CG 4.02Å; K239-M319 HydrophobicContact CG-SD 3.91Å; L240-M319 VanDerWaalsContact O-CA 3.29Å; L240-M319 WeakPolarHBondContact O-CA 3.15Å; E289-M319 VanDerWaalsContact OE1-CE 3.25Å; E289-M319 WeakPolarHBondContact OE1-CE 3.24Å; K292-M319 HydrophobicContact CD-CE 3.44Å; K292-M319 VanDerWaalsContact CD-CE 3.44Å; K292-M319 HydrophobicContact CD-SD 4.1Å; M319-F321 HydrophobicContact CE-CE2 3.76Å; M319-F321 HydrophobicContact CE-CZ 4.15Å; M319-F321 HydrophobicContact SD-CD2 3.87Å; M319-F321 HydrophobicContact SD-CE2 3.33Å; M319-F321 WeakPolarHBondContact SD-CE2 3.16Å; M319-F321 HydrophobicContact SD-CZ 3.8Å
320E97.9Very high97Very high21 Ų2138.9 Ų38.910%0.09822%0.217CC..EExtended strand (participates in β ladder)trans-135.5157.3-179.6-63.3178.7172.200110.9K239 L240 Y242 K292 N294 H307 Y311K239-E320 WeakPolarHBondContact CA-O 3.24Å; L240-E320 PolarHBondContact N-O 2.88Å; L240-E320 PolarHBondContact O-N 3.41Å; Y242-E320 HydrophobicContact CE2-CB 4.2Å; Y242-E320 HydrophobicContact CE2-CG 4.01Å; Y242-E320 PolarHBondContact OH-OE2 2.71Å; K292-E320 WeakPolarHBondContact O-CA 3.29Å; N294-E320 HydrophobicContact CB-CB 4.18Å; N294-E320 HydrophobicContact CB-CG 4.33Å; N294-E320 WeakPolarHBondContact CB-OE2 3.17Å; N294-E320 PolarHBondContact ND2-OE2 2.76Å; H307-E320 IonicContact CD2-OE2 2.94Å; H307-E320 IonicContact CE1-OE1 2.66Å; H307-E320 PolarHBondContact CE1-OE1 2.88Å; H307-E320 IonicContact CE1-OE2 2.84Å; H307-E320 VanDerWaalsContact NE2-CD 3.33Å; H307-E320 IonicContact NE2-OE1 3.29Å; H307-E320 PolarHBondContact NE2-OE1 3.05Å; H307-E320 IonicContact NE2-OE2 2.77Å; H307-E320 PolarHBondContact NE2-OE2 2.74Å; Y311-E320 VanDerWaalsContact OH-CD 3.27Å; Y311-E320 PolarHBondContact OH-OE1 2.87Å
321F98.6Very high96.9Very high6 Ų636.2 Ų36.23%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-108.5114.3170.4-63.1-95000109.4W237 V238 K239 T285 H287 A288 E289 K292 I293 N294 M319W237-F321 HydrophobicContact CB-CB 4.4Å; W237-F321 HydrophobicContact CB-CD1 4.46Å; W237-F321 HydrophobicContact CE3-CB 4.25Å; V238-F321 WeakPolarHBondContact O-CA 3.45Å; K239-F321 HydrophobicContact CB-CD1 3.93Å; K239-F321 HydrophobicContact CB-CE1 3.74Å; K239-F321 HydrophobicContact CD-CE1 3.86Å; K239-F321 HydrophobicContact CD-CZ 3.96Å; K239-F321 HydrophobicContact CG-CD1 4.27Å; K239-F321 HydrophobicContact CG-CE1 3.75Å; K239-F321 HydrophobicContact CG-CZ 4.03Å; T285-F321 HydrophobicContact CG2-CD1 3.87Å; T285-F321 HydrophobicContact CG2-CE1 3.91Å; H287-F321 VanDerWaalsContact O-CE1 3.23Å; H287-F321 WeakPolarHBondContact O-CE1 3.42Å; A288-F321 HydrophobicContact CB-CB 3.66Å; A288-F321 HydrophobicContact CB-CD1 3.76Å; A288-F321 HydrophobicContact CB-CD2 4.28Å; A288-F321 HydrophobicContact CB-CE1 4.45Å; A288-F321 HydrophobicContact CB-CG 3.64Å; E289-F321 HydrophobicContact CB-CD2 4.25Å; E289-F321 HydrophobicContact CB-CE2 3.64Å; E289-F321 HydrophobicContact CB-CZ 4.33Å; E289-F321 HydrophobicContact CG-CE2 3.78Å; E289-F321 HydrophobicContact CG-CZ 4.02Å; E289-F321 WeakPolarHBondContact OE1-CZ 3.06Å; K292-F321 HydrophobicContact CB-CD2 3.85Å; K292-F321 HydrophobicContact CB-CE2 4.16Å; K292-F321 PolarHBondContact O-N 2.81Å; I293-F321 WeakPolarHBondContact CA-O 3.34Å; I293-F321 HydrophobicContact CG1-CB 4.36Å; N294-F321 PolarHBondContact N-O 3.08Å; M319-F321 HydrophobicContact CE-CE2 3.76Å; M319-F321 HydrophobicContact CE-CZ 4.15Å; M319-F321 HydrophobicContact SD-CD2 3.87Å; M319-F321 HydrophobicContact SD-CE2 3.33Å; M319-F321 WeakPolarHBondContact SD-CE2 3.16Å; M319-F321 HydrophobicContact SD-CZ 3.8Å
322I98.4Very high96.7Very high0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-107.6133.2-176.7-58.4174.3000108.7W237 V238 L240 I296 L324 Q326 Y327W237-I322 CarbonylContact C-O 3.58Å; W237-I322 VanDerWaalsContact CA-O 3.3Å; W237-I322 WeakPolarHBondContact CA-O 3.49Å; V238-I322 PolarHBondContact N-O 3.11Å; V238-I322 PolarHBondContact O-N 3.08Å; L240-I322 HydrophobicContact CB-CD1 4.32Å; L240-I322 HydrophobicContact CD2-CD1 3.7Å; I296-I322 HydrophobicContact CD1-CD1 4.28Å; I296-I322 HydrophobicContact CD1-CG2 3.8Å; I296-I322 HydrophobicContact CG1-CG2 3.76Å; I296-I322 HydrophobicContact CG2-CD1 4.23Å; I296-I322 HydrophobicContact CG2-CG1 4.4Å; I322-L324 PolarHBondContact O-N 3.47Å; I322-Q326 HydrophobicContact CG2-CB 4.12Å; I322-Y327 HydrophobicContact CD1-CD2 4.3Å
323P97.9Very high96.4Very high23 Ų2336.6 Ų36.615%0.14920%0.2CC..EExtended strand (participates in β ladder)trans-54.9133.3175.2-21.329.7000110.3W237 N294 R295 R325 Q326 Y327W237-P323 HydrophobicContact CE3-CB 4.35Å; W237-P323 HydrophobicContact CE3-CG 4.03Å; W237-P323 HydrophobicContact CH2-CG 4.19Å; W237-P323 HydrophobicContact CZ3-CB 4.15Å; W237-P323 HydrophobicContact CZ3-CG 3.45Å; W237-P323 VanDerWaalsContact CZ3-CG 3.45Å; N294-P323 WeakPolarHBondContact O-CD 3.45Å; R295-P323 HydrophobicContact CG-CG 4.1Å; P323-R325 VanDerWaalsContact C-N 3.31Å; P323-R325 PolarHBondContact O-N 2.75Å; P323-R325 VanDerWaalsContact O-N 3.16Å; P323-Q326 HydrophobicContact CB-CB 4.27Å; P323-Q326 HydrophobicContact CB-CG 4.05Å; P323-Q326 HydrophobicContact CG-CB 4.48Å; P323-Q326 HydrophobicContact CG-CG 4.2Å; P323-Q326 WeakPolarHBondContact O-CA 3.36Å; P323-Q326 WeakPolarHBondContact O-CB 3.37Å; P323-Q326 PolarHBondContact O-N 3.09Å; P323-Y327 PolarHBondContact O-N 2.92Å
324L97.4Very high96.2Very high5 Ų527.9 Ų27.93%0.02617%0.167CC..Hα-helixtrans-50.6-48.8-170.4177.864.3000113.2T152 A234 R235 S236 V238 F266 M284 I322 Q326 Y327 Y328T152-L324 HydrophobicContact CG2-CD2 4.31Å; A234-L324 HydrophobicContact CB-CD2 3.81Å; R235-L324 VanDerWaalsContact O-CB 3.29Å; R235-L324 WeakPolarHBondContact O-CB 3.32Å; R235-L324 WeakPolarHBondContact O-CD2 3.42Å; S236-L324 PolarHBondContact O-N 2.96Å; S236-L324 VanDerWaalsContact O-N 3.1Å; V238-L324 HydrophobicContact CG2-CD1 3.55Å; F266-L324 HydrophobicContact CZ-CD1 4.49Å; M284-L324 HydrophobicContact CG-CD1 4.15Å; M284-L324 HydrophobicContact SD-CD1 3.97Å; M284-L324 HydrophobicContact SD-CD2 4.3Å; I322-L324 PolarHBondContact O-N 3.47Å; L324-Q326 VanDerWaalsContact C-N 3.27Å; L324-Q326 PolarHBondContact O-N 2.86Å; L324-Y327 PolarHBondContact O-N 3.03Å; L324-Y328 HydrophobicContact CD1-CD2 3.94Å; L324-Y328 HydrophobicContact CD1-CE2 3.37Å; L324-Y328 HydrophobicContact CD2-CE2 3.88Å; L324-Y328 HydrophobicContact CG-CD2 3.84Å; L324-Y328 HydrophobicContact CG-CE2 3.45Å; L324-Y328 VanDerWaalsContact CG-CE2 3.45Å; L324-Y328 WeakPolarHBondContact O-CD2 3.26Å; L324-Y328 PolarHBondContact O-N 2.85Å
325R95.9Very high96Very high90 Ų9026.9 Ų26.934%0.3415%0.151SC..Hα-helixtrans-61-35.7178.2-166.4-179.7177.4-65.9-9.9112.6G140 D160 P323 H329G140-R325 PolarHBondContact O-NH2 3.26Å; D160-R325 IonicContact OD1-NH2 3.63Å; D160-R325 PolarHBondContact OD1-NH2 2.99Å; P323-R325 VanDerWaalsContact C-N 3.31Å; P323-R325 PolarHBondContact O-N 2.75Å; P323-R325 VanDerWaalsContact O-N 3.16Å; R325-H329 PolarHBondContact O-CD2 3.13Å; R325-H329 PolarHBondContact O-N 3.27Å
326Q96.9Very high95.9Very high47 Ų4724.7 Ų24.722%0.2213%0.125CC..Hα-helixtrans-73-35.7179.2-64.2-175900111.8I296 I322 P323 L324 H329 R330I296-Q326 HydrophobicContact CG1-CB 3.97Å; I322-Q326 HydrophobicContact CG2-CB 4.12Å; P323-Q326 HydrophobicContact CB-CB 4.27Å; P323-Q326 HydrophobicContact CB-CG 4.05Å; P323-Q326 HydrophobicContact CG-CB 4.48Å; P323-Q326 HydrophobicContact CG-CG 4.2Å; P323-Q326 WeakPolarHBondContact O-CA 3.36Å; P323-Q326 WeakPolarHBondContact O-CB 3.37Å; P323-Q326 PolarHBondContact O-N 3.09Å; L324-Q326 VanDerWaalsContact C-N 3.27Å; L324-Q326 PolarHBondContact O-N 2.86Å; Q326-H329 CarbonylContact O-C 3.58Å; Q326-H329 PolarHBondContact O-N 3.3Å; Q326-R330 WeakPolarHBondContact O-CA 3.43Å; Q326-R330 PolarHBondContact O-N 3.18Å; Q326-R330 VanDerWaalsContact O-N 3.15Å
327Y97.7Very high95.8Very high1 Ų119.9 Ų19.90%0.00410%0.102CC..Hα-helixtrans-63.4-46.5173.5177.5-100.7000111.2S175 V238 L240 F266 I322 P323 L324 H329 R330S175-Y327 PolarHBondContact OG-OH 2.58Å; V238-Y327 HydrophobicContact CB-CD1 4.28Å; V238-Y327 HydrophobicContact CB-CD2 4.4Å; V238-Y327 HydrophobicContact CB-CG 3.99Å; V238-Y327 HydrophobicContact CG1-CD1 4.18Å; V238-Y327 HydrophobicContact CG1-CD2 4.18Å; V238-Y327 HydrophobicContact CG1-CE1 4.33Å; V238-Y327 HydrophobicContact CG1-CE2 4.36Å; V238-Y327 HydrophobicContact CG1-CG 4.09Å; V238-Y327 HydrophobicContact CG2-CD1 3.73Å; V238-Y327 HydrophobicContact CG2-CG 3.81Å; L240-Y327 HydrophobicContact CD1-CE2 3.69Å; L240-Y327 HydrophobicContact CD2-CD2 4.1Å; L240-Y327 HydrophobicContact CD2-CE2 3.72Å; L240-Y327 HydrophobicContact CG-CE2 4.33Å; F266-Y327 HydrophobicContact CB-CE1 4.1Å; F266-Y327 WeakPolarHBondContact CB-OH 2.96Å; F266-Y327 AromaticContact CD1-CE1 3.7Å; F266-Y327 HydrophobicContact CD1-CE1 3.7Å; F266-Y327 AromaticContact CD2-CE1 3.94Å; F266-Y327 HydrophobicContact CD2-CE1 3.94Å; F266-Y327 HydrophobicContact CE1-CE1 4.05Å; F266-Y327 HydrophobicContact CE2-CE1 4.26Å; F266-Y327 AromaticContact CG-CE1 3.64Å; F266-Y327 HydrophobicContact CG-CE1 3.64Å; F266-Y327 HydrophobicContact CZ-CE1 4.31Å; I322-Y327 HydrophobicContact CD1-CD2 4.3Å; P323-Y327 PolarHBondContact O-N 2.92Å; L324-Y327 PolarHBondContact O-N 3.03Å; Y327-H329 VanDerWaalsContact C-N 3.31Å; Y327-H329 PolarHBondContact O-N 3.09Å; Y327-R330 VanDerWaalsContact O-CB 3.24Å; Y327-R330 WeakPolarHBondContact O-CB 3.45Å; Y327-R330 WeakPolarHBondContact O-CD 3.18Å; Y327-R330 WeakPolarHBondContact O-CG 3.2Å; Y327-R330 PolarHBondContact O-N 2.85Å; Y327-R330 PolarHBondContact O-NH1 2.83Å
328Y96.8Very high95.4Very high0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-55.2-47175.5-82.6-40.4000112.2T152 L153 L156 E158 F266 L324 R330T152-Y328 HydrophobicContact CG2-CE2 4.18Å; T152-Y328 WeakPolarHBondContact CG2-OH 3.4Å; T152-Y328 WeakPolarHBondContact OG1-CE2 3.44Å; L153-Y328 PolarHBondContact O-OH 3.42Å; L156-Y328 HydrophobicContact CB-CD1 3.79Å; L156-Y328 HydrophobicContact CB-CE1 3.88Å; L156-Y328 HydrophobicContact CB-CG 4.35Å; L156-Y328 HydrophobicContact CD2-CD1 3.62Å; L156-Y328 HydrophobicContact CD2-CD2 3.96Å; L156-Y328 HydrophobicContact CD2-CE1 4.42Å; L156-Y328 HydrophobicContact CD2-CG 3.37Å; L156-Y328 HydrophobicContact CG-CD1 4.33Å; L156-Y328 HydrophobicContact CG-CG 4.44Å; E158-Y328 WeakPolarHBondContact CA-O 3.34Å; E158-Y328 WeakPolarHBondContact CB-O 3.34Å; F266-Y328 AromaticContact CE1-CE1 3.93Å; F266-Y328 HydrophobicContact CE1-CE1 3.93Å; F266-Y328 HydrophobicContact CZ-CE1 4.19Å; L324-Y328 HydrophobicContact CD1-CD2 3.94Å; L324-Y328 HydrophobicContact CD1-CE2 3.37Å; L324-Y328 HydrophobicContact CD2-CE2 3.88Å; L324-Y328 HydrophobicContact CG-CD2 3.84Å; L324-Y328 HydrophobicContact CG-CE2 3.45Å; L324-Y328 VanDerWaalsContact CG-CE2 3.45Å; L324-Y328 WeakPolarHBondContact O-CD2 3.26Å; L324-Y328 PolarHBondContact O-N 2.85Å; Y328-R330 VanDerWaalsContact C-N 3.32Å; Y328-R330 PolarHBondContact O-N 2.67Å
329H95.9Very high95Very high13 Ų1317.3 Ų17.36%0.068%0.079CC..THydrogen-bonded Turntrans-93.122.8-177.6-61.9-65.2000114.7T143 E158 D160 R325 Q326 Y327 H331 T332T143-H329 PolarHBondContact OG1-NE2 2.61Å; E158-H329 WeakPolarHBondContact O-CA 3.36Å; D160-H329 IonicContact OD1-CD2 2.95Å; D160-H329 IonicContact OD1-CE1 3.25Å; D160-H329 PolarHBondContact OD1-CE1 3.28Å; D160-H329 IonicContact OD1-CG 2.94Å; D160-H329 IonicContact OD1-ND1 2.84Å; D160-H329 PolarHBondContact OD1-ND1 2.78Å; D160-H329 VanDerWaalsContact OD1-ND1 3.07Å; D160-H329 IonicContact OD1-NE2 2.71Å; D160-H329 PolarHBondContact OD1-NE2 2.7Å; R325-H329 PolarHBondContact O-CD2 3.13Å; R325-H329 PolarHBondContact O-N 3.27Å; Q326-H329 CarbonylContact O-C 3.58Å; Q326-H329 PolarHBondContact O-N 3.3Å; Y327-H329 VanDerWaalsContact C-N 3.31Å; Y327-H329 PolarHBondContact O-N 3.09Å; H329-H331 PolarHBondContact O-N 2.45Å; H329-H331 VanDerWaalsContact O-N 3.14Å; H329-T332 WeakPolarHBondContact O-CB 3.1Å; H329-T332 PolarHBondContact O-N 2.59Å
330R96.7Very high94.6Very high9 Ų917.4 Ų17.43%0.0348%0.079CC..THydrogen-bonded Turntrans-60-29.4-168.765.7-164.6-179.4-66.9-9.1114.3E174 E268 I296 F304 Q326 Y327 Y328E174-R330 IonicContact OE1-CZ 3.7Å; E174-R330 IonicContact OE1-NH1 2.76Å; E174-R330 PolarHBondContact OE1-NH1 3.08Å; E174-R330 IonicContact OE1-NH2 3.6Å; E174-R330 PolarHBondContact OE1-NH2 3.26Å; E174-R330 IonicContact OE2-NH1 3.62Å; E268-R330 IonicContact OE1-CZ 3.09Å; E268-R330 IonicContact OE1-NE 2.73Å; E268-R330 IonicContact OE1-NH2 2.64Å; E268-R330 PolarHBondContact OE1-NH2 3.23Å; E268-R330 IonicContact OE2-CZ 3.17Å; E268-R330 IonicContact OE2-NE 3.75Å; E268-R330 PolarHBondContact OE2-NE 2.53Å; E268-R330 IonicContact OE2-NH2 2.65Å; E268-R330 PolarHBondContact OE2-NH2 3.35Å; I296-R330 HydrophobicContact CD1-CB 3.62Å; F304-R330 HydrophobicContact CB-CB 4.26Å; F304-R330 VanDerWaalsContact CB-O 3.3Å; F304-R330 WeakPolarHBondContact CB-O 3.45Å; F304-R330 HydrophobicContact CD1-CB 4.1Å; F304-R330 HydrophobicContact CD1-CG 3.84Å; F304-R330 HydrophobicContact CD2-CB 4.03Å; F304-R330 HydrophobicContact CE1-CB 4.49Å; F304-R330 VanDerWaalsContact CE1-CD 3.5Å; F304-R330 HydrophobicContact CE1-CG 3.98Å; F304-R330 HydrophobicContact CE2-CB 4.41Å; F304-R330 HydrophobicContact CG-CB 3.86Å; F304-R330 HydrophobicContact CG-CG 4.14Å; F304-R330 HydrophobicContact CZ-CG 4.39Å; Q326-R330 WeakPolarHBondContact O-CA 3.43Å; Q326-R330 PolarHBondContact O-N 3.18Å; Q326-R330 VanDerWaalsContact O-N 3.15Å; Y327-R330 VanDerWaalsContact O-CB 3.24Å; Y327-R330 WeakPolarHBondContact O-CB 3.45Å; Y327-R330 WeakPolarHBondContact O-CD 3.18Å; Y327-R330 WeakPolarHBondContact O-CG 3.2Å; Y327-R330 PolarHBondContact O-N 2.85Å; Y327-R330 PolarHBondContact O-NH1 2.83Å; Y328-R330 VanDerWaalsContact C-N 3.32Å; Y328-R330 PolarHBondContact O-N 2.67Å
331H95.6Very high93.9Very high0 Ų018.7 Ų18.70%09%0.086CC..THydrogen-bonded Turntrans-93.6-9.6179.2-65.3-57.1000114E158 L159 E268 F304 H329 R333 S334 I335 F336 W411E158-H331 HydrophobicContact CB-CB 4.1Å; E158-H331 HydrophobicContact CG-CB 3.75Å; E158-H331 IonicContact OE1-CD2 3.77Å; L159-H331 HydrophobicContact CD2-CB 4.38Å; E268-H331 IonicContact OE1-CD2 2.82Å; E268-H331 IonicContact OE1-CE1 3.85Å; E268-H331 IonicContact OE1-NE2 3.22Å; E268-H331 PolarHBondContact OE1-NE2 3.42Å; E268-H331 IonicContact OE2-NE2 2.96Å; F304-H331 AromaticContact CD1-CE1 3.63Å; F304-H331 AromaticContact CD1-ND1 3.95Å; H329-H331 PolarHBondContact O-N 2.45Å; H329-H331 VanDerWaalsContact O-N 3.14Å; H331-R333 PolarHBondContact O-N 3.21Å; H331-S334 PolarHBondContact O-N 3.21Å; H331-I335 VanDerWaalsContact O-CA 3.31Å; H331-I335 WeakPolarHBondContact O-CA 3.34Å; H331-I335 PolarHBondContact O-N 2.66Å; H331-F336 HydrophobicContact CB-CD1 3.97Å; H331-F336 HydrophobicContact CB-CD2 4.41Å; H331-F336 HydrophobicContact CB-CE1 4.23Å; H331-F336 HydrophobicContact CB-CG 4.08Å; H331-F336 AromaticContact CD2-CD1 3.78Å; H331-F336 AromaticContact CD2-CE1 3.59Å; H331-F336 AromaticContact CE1-CD1 3.94Å; H331-F336 AromaticContact CG-CD1 3.58Å; H331-F336 AromaticContact CG-CE1 3.83Å; H331-F336 AromaticContact ND1-CD1 3.75Å; H331-F336 AromaticContact NE2-CD1 3.99Å; H331-F336 AromaticContact NE2-CE1 3.95Å; H331-F336 PolarHBondContact O-N 3.27Å; H331-W411 AromaticContact NE2-NE1 3.91Å
332T93.6Very high93Very high11 Ų1119 Ų197%0.0679%0.088CC..THydrogen-bonded Turntrans-56.4-48.5-176.7-74.70000111.9E158 L159 D160 H329 S334 I335 P360E158-T332 PolarHBondContact O-OG1 2.82Å; L159-T332 WeakPolarHBondContact CA-OG1 3.24Å; D160-T332 HydrophobicContact CB-CG2 4.1Å; D160-T332 PolarHBondContact N-OG1 3Å; D160-T332 VanDerWaalsContact N-OG1 3.08Å; H329-T332 WeakPolarHBondContact O-CB 3.1Å; H329-T332 PolarHBondContact O-N 2.59Å; T332-S334 PolarHBondContact O-N 3.32Å; T332-I335 PolarHBondContact O-N 3.32Å; T332-P360 HydrophobicContact CG2-CG 3.77Å; T332-P360 WeakPolarHBondContact O-CB 3.19Å; T332-P360 WeakPolarHBondContact O-CG 3.22Å
333R91.3Very high92.5Very high31 Ų3119 Ų1912%0.1179%0.088CC..THydrogen-bonded Turntrans-61.3-41.6-172.8-68.4-179.363.9-146.2-10.9112.9L298 H299 K301 H331 L339 V359L298-R333 PolarHBondContact O-NH1 2.87Å; H299-R333 VanDerWaalsContact C-NH2 3.35Å; H299-R333 PolarHBondContact O-NH2 2.81Å; K301-R333 PolarHBondContact O-NH1 3.25Å; H331-R333 PolarHBondContact O-N 3.21Å; R333-L339 WeakPolarHBondContact O-CD2 3.36Å; R333-V359 HydrophobicContact CB-CG1 4.26Å; R333-V359 WeakPolarHBondContact O-CG1 3.29Å
334S91.7Very high92Very high0 Ų022.5 Ų22.50%011%0.111CC..THydrogen-bonded Turntrans-99.21.8-178.843.60000113.5H331 T332 F336 W337 E338 L339H331-S334 PolarHBondContact O-N 3.21Å; T332-S334 PolarHBondContact O-N 3.32Å; S334-F336 VanDerWaalsContact C-N 3.34Å; S334-F336 WeakPolarHBondContact CB-O 3.16Å; S334-F336 CarbonylContact O-C 3.59Å; S334-F336 PolarHBondContact OG-O 3.02Å; S334-W337 CarbonylContact O-C 3.32Å; S334-W337 PolarHBondContact O-N 3.38Å; S334-E338 PolarHBondContact O-N 3.36Å; S334-L339 VanDerWaalsContact O-CB 3.26Å; S334-L339 WeakPolarHBondContact O-CB 3.4Å; S334-L339 PolarHBondContact O-N 3.4Å; S334-L339 VanDerWaalsContact O-N 3.07Å
335I91.8Very high91.6Very high23 Ų2326.1 Ų26.112%0.11813%0.127CC..THydrogen-bonded Turntrans48.861.8-170.7-50.9169.6000107.8H331 T332 W337 E338 P360 I363H331-I335 VanDerWaalsContact O-CA 3.31Å; H331-I335 WeakPolarHBondContact O-CA 3.34Å; H331-I335 PolarHBondContact O-N 2.66Å; T332-I335 PolarHBondContact O-N 3.32Å; I335-W337 VanDerWaalsContact C-N 3.33Å; I335-W337 PolarHBondContact O-N 3.06Å; I335-E338 HydrophobicContact CB-CB 4.31Å; I335-E338 HydrophobicContact CG2-CB 4.29Å; I335-E338 WeakPolarHBondContact O-CB 3.28Å; I335-E338 PolarHBondContact O-N 3.38Å; I335-P360 HydrophobicContact CD1-CB 4.37Å; I335-P360 HydrophobicContact CG1-CB 4.11Å; I335-I363 HydrophobicContact CD1-CD1 4.34Å; I335-I363 HydrophobicContact CD1-CG1 3.89Å; I335-I363 HydrophobicContact CG2-CD1 4.17Å
336F91.4Very high91.3Very high16 Ų1621.9 Ų21.97%0.0711%0.11CC..THydrogen-bonded Turntrans58.8-86.8-159.3-65.5-94.1000112E158 L159 F305 H331 S334 W411 Y441E158-F336 HydrophobicContact CG-CE1 4.18Å; E158-F336 HydrophobicContact CG-CE2 4.17Å; E158-F336 HydrophobicContact CG-CZ 3.7Å; E158-F336 WeakPolarHBondContact OE1-CE1 3.49Å; E158-F336 WeakPolarHBondContact OE1-CZ 3.27Å; L159-F336 HydrophobicContact CD1-CE2 4.31Å; L159-F336 HydrophobicContact CD2-CE2 4.44Å; L159-F336 HydrophobicContact CG-CE2 4.39Å; F305-F336 WeakPolarHBondContact CD1-O 3.33Å; H331-F336 HydrophobicContact CB-CD1 3.97Å; H331-F336 HydrophobicContact CB-CD2 4.41Å; H331-F336 HydrophobicContact CB-CE1 4.23Å; H331-F336 HydrophobicContact CB-CG 4.08Å; H331-F336 AromaticContact CD2-CD1 3.78Å; H331-F336 AromaticContact CD2-CE1 3.59Å; H331-F336 AromaticContact CE1-CD1 3.94Å; H331-F336 AromaticContact CG-CD1 3.58Å; H331-F336 AromaticContact CG-CE1 3.83Å; H331-F336 AromaticContact ND1-CD1 3.75Å; H331-F336 AromaticContact NE2-CD1 3.99Å; H331-F336 AromaticContact NE2-CE1 3.95Å; H331-F336 PolarHBondContact O-N 3.27Å; S334-F336 VanDerWaalsContact C-N 3.34Å; S334-F336 WeakPolarHBondContact CB-O 3.16Å; S334-F336 CarbonylContact O-C 3.59Å; S334-F336 PolarHBondContact OG-O 3.02Å; F336-W411 HydrophobicContact CD1-CG 4.41Å; F336-W411 AromaticContact CE1-CD2 3.72Å; F336-W411 HydrophobicContact CE1-CD2 3.72Å; F336-W411 AromaticContact CE1-CE2 3.74Å; F336-W411 HydrophobicContact CE1-CE3 4.16Å; F336-W411 AromaticContact CE1-CG 3.97Å; F336-W411 HydrophobicContact CE1-CG 3.97Å; F336-W411 HydrophobicContact CE1-CZ2 4.17Å; F336-W411 AromaticContact CE1-NE1 3.97Å; F336-W411 HydrophobicContact CZ-CD2 4.33Å; F336-W411 HydrophobicContact CZ-CE3 4.33Å; F336-W411 HydrophobicContact CZ-CH2 4.39Å; F336-W411 HydrophobicContact CZ-CZ2 4.43Å; F336-W411 HydrophobicContact CZ-CZ3 4.36Å; F336-Y441 HydrophobicContact CB-CD2 4.07Å; F336-Y441 HydrophobicContact CB-CE2 4.21Å; F336-Y441 HydrophobicContact CD1-CE2 4.04Å; F336-Y441 HydrophobicContact CD2-CE2 4.06Å; F336-Y441 HydrophobicContact CE1-CE2 4.35Å; F336-Y441 HydrophobicContact CE2-CE2 4.37Å; F336-Y441 HydrophobicContact CG-CD2 4.21Å; F336-Y441 AromaticContact CG-CE2 3.86Å; F336-Y441 HydrophobicContact CG-CE2 3.86Å; F336-Y441 HydrophobicContact CZ-CE2 4.47Å
337W93.8Very high91.1Very high0 Ų021.4 Ų21.40%011%0.109CC..THydrogen-bonded Turntrans-141.71174.743.582.4000113.3I270 F305 S334 I335 L339 Q340 P409 W411 Y441I270-W337 HydrophobicContact CG2-CZ3 4.32Å; F305-W337 HydrophobicContact CB-CE3 3.99Å; F305-W337 HydrophobicContact CB-CZ3 4.48Å; F305-W337 HydrophobicContact CD1-CB 3.9Å; F305-W337 HydrophobicContact CD2-CB 3.96Å; F305-W337 HydrophobicContact CD2-CE3 4.42Å; F305-W337 HydrophobicContact CE1-CB 3.59Å; F305-W337 HydrophobicContact CE2-CB 3.64Å; F305-W337 HydrophobicContact CG-CB 4.06Å; F305-W337 HydrophobicContact CG-CE3 4.12Å; F305-W337 HydrophobicContact CZ-CB 3.46Å; F305-W337 VanDerWaalsContact CZ-CB 3.46Å; S334-W337 CarbonylContact O-C 3.32Å; S334-W337 PolarHBondContact O-N 3.38Å; I335-W337 VanDerWaalsContact C-N 3.33Å; I335-W337 PolarHBondContact O-N 3.06Å; W337-L339 PolarHBondContact O-N 3.04Å; W337-L339 VanDerWaalsContact O-N 3.13Å; W337-Q340 VanDerWaalsContact O-CB 3.25Å; W337-Q340 WeakPolarHBondContact O-CB 3.42Å; W337-Q340 WeakPolarHBondContact O-CG 3.31Å; W337-Q340 PolarHBondContact O-N 3.39Å; W337-P409 HydrophobicContact CD2-CG 3.48Å; W337-P409 VanDerWaalsContact CD2-CG 3.48Å; W337-P409 HydrophobicContact CE3-CG 3.68Å; W337-P409 HydrophobicContact CG-CG 3.94Å; W337-P409 HydrophobicContact CH2-CB 4.27Å; W337-P409 HydrophobicContact CH2-CG 4.01Å; W337-P409 HydrophobicContact CZ2-CB 4.33Å; W337-P409 HydrophobicContact CZ2-CG 3.89Å; W337-P409 WeakPolarHBondContact CZ2-O 3.49Å; W337-P409 HydrophobicContact CZ3-CB 4.46Å; W337-P409 HydrophobicContact CZ3-CG 3.94Å; W337-W411 HydrophobicContact CH2-CB 3.69Å; W337-W411 HydrophobicContact CZ2-CB 4.36Å; W337-Y441 AromaticContact CE2-CD2 3.63Å; W337-Y441 HydrophobicContact CH2-CD2 4.33Å; W337-Y441 HydrophobicContact CH2-CE2 4.44Å; W337-Y441 AromaticContact CZ2-CD2 3.52Å; W337-Y441 HydrophobicContact CZ2-CD2 3.52Å; W337-Y441 AromaticContact CZ2-CE2 3.99Å; W337-Y441 HydrophobicContact CZ2-CE2 3.99Å; W337-Y441 AromaticContact NE1-CD2 3.79Å; W337-Y441 PolarHBondContact NE1-O 3.08Å
338E89.7Confident90.9Very high27 Ų2725 Ų2513%0.12613%0.129CC..THydrogen-bonded Turntrans-59-29.3-178.7-71.2-77.7100.700112.7S334 I335 Q340 D341 H382 Y441 G442S334-E338 PolarHBondContact O-N 3.36Å; I335-E338 HydrophobicContact CB-CB 4.31Å; I335-E338 HydrophobicContact CG2-CB 4.29Å; I335-E338 WeakPolarHBondContact O-CB 3.28Å; I335-E338 PolarHBondContact O-N 3.38Å; E338-Q340 PolarHBondContact O-N 2.62Å; E338-D341 PolarHBondContact O-N 2.88Å; E338-D341 VanDerWaalsContact O-N 3.1Å; E338-H382 IonicContact OE1-CE1 2.69Å; E338-H382 PolarHBondContact OE1-CE1 3.3Å; E338-H382 IonicContact OE1-NE2 3.66Å; E338-H382 PolarHBondContact OE1-NE2 2.89Å; E338-H382 IonicContact OE2-CD2 3.22Å; E338-H382 IonicContact OE2-CE1 3.01Å; E338-H382 IonicContact OE2-NE2 3.74Å; E338-H382 PolarHBondContact OE2-NE2 3.2Å; E338-Y441 VanDerWaalsContact OE1-C 3.3Å; E338-Y441 WeakPolarHBondContact OE1-CB 3.35Å; E338-G442 PolarHBondContact OE1-N 2.92Å
339L88.3Confident90.8Very high0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-63.8-21.9176.9-169.661.3000112.4W303 R333 S334 W337 D341 I342 I343 V359 P361W303-L339 HydrophobicContact CH2-CB 4.21Å; W303-L339 HydrophobicContact CH2-CD2 4.33Å; W303-L339 HydrophobicContact CH2-CG 4.09Å; W303-L339 HydrophobicContact CZ2-CB 4.35Å; W303-L339 HydrophobicContact CZ2-CD2 3.71Å; W303-L339 HydrophobicContact CZ2-CG 3.97Å; R333-L339 WeakPolarHBondContact O-CD2 3.36Å; S334-L339 VanDerWaalsContact O-CB 3.26Å; S334-L339 WeakPolarHBondContact O-CB 3.4Å; S334-L339 PolarHBondContact O-N 3.4Å; S334-L339 VanDerWaalsContact O-N 3.07Å; W337-L339 PolarHBondContact O-N 3.04Å; W337-L339 VanDerWaalsContact O-N 3.13Å; L339-D341 VanDerWaalsContact C-N 3.29Å; L339-D341 PolarHBondContact O-N 2.93Å; L339-I342 HydrophobicContact CD1-CB 4.38Å; L339-I342 PolarHBondContact O-N 2.7Å; L339-I343 HydrophobicContact CD1-CD1 3.93Å; L339-I343 HydrophobicContact CD1-CG1 4.12Å; L339-I343 HydrophobicContact CG-CD1 4.44Å; L339-I343 PolarHBondContact O-N 3.4Å; L339-V359 HydrophobicContact CD2-CG1 3.46Å; L339-V359 VanDerWaalsContact CD2-CG1 3.46Å; L339-V359 HydrophobicContact CD2-CG2 4.27Å; L339-P361 HydrophobicContact CD1-CG 3.83Å
340Q89.1Confident90.8Very high42 Ų4232.8 Ų32.820%0.19618%0.179CC..Hα-helixtrans-66.2-32.5175.390.2-168.3-18.400111.7W303 F305 W337 E338 I342 I343 P344W303-Q340 HydrophobicContact CH2-CB 4.43Å; W303-Q340 HydrophobicContact CZ3-CB 3.7Å; F305-Q340 VanDerWaalsContact CZ-OE1 3.25Å; W337-Q340 VanDerWaalsContact O-CB 3.25Å; W337-Q340 WeakPolarHBondContact O-CB 3.42Å; W337-Q340 WeakPolarHBondContact O-CG 3.31Å; W337-Q340 PolarHBondContact O-N 3.39Å; E338-Q340 PolarHBondContact O-N 2.62Å; Q340-I342 VanDerWaalsContact C-N 3.3Å; Q340-I343 CarbonylContact O-C 3.6Å; Q340-I343 VanDerWaalsContact O-C 3.32Å; Q340-P344 WeakPolarHBondContact O-CA 3.45Å; Q340-P344 WeakPolarHBondContact O-CG 3.48Å
341D82.8Confident90.7Very high48 Ų4833 Ų3326%0.25718%0.18SC..Hα-helixtrans-78.1-24.3-178.7-59.9-19.6000110.6E338 L339 H382E338-D341 PolarHBondContact O-N 2.88Å; E338-D341 VanDerWaalsContact O-N 3.1Å; L339-D341 VanDerWaalsContact C-N 3.29Å; L339-D341 PolarHBondContact O-N 2.93Å; D341-H382 IonicContact OD2-CE1 3.51Å; D341-H382 PolarHBondContact OD2-CE1 2.87Å
342I81.4Confident90.6Very high14 Ų1434.1 Ų34.17%0.07218%0.184CC..Hα-helixtrans-86.2-41.3175.4-56.7170.4000111.5V35 L339 Q340 L366V35-I342 HydrophobicContact CB-CG2 4.46Å; V35-I342 HydrophobicContact CG1-CG2 4.39Å; V35-I342 HydrophobicContact CG2-CG2 3.84Å; L339-I342 HydrophobicContact CD1-CB 4.38Å; L339-I342 PolarHBondContact O-N 2.7Å; Q340-I342 VanDerWaalsContact C-N 3.3Å; I342-L366 HydrophobicContact CD1-CD1 4.25Å; I342-L366 HydrophobicContact CD1-CD2 3.51Å
343I87.3Confident90.6Very high0 Ų042.2 Ų42.20%021%0.213CC..  trans-131.382.4-179.4-45.1178.1000108.5W32 V35 L339 Q340 F345 G346 F351W32-I343 HydrophobicContact CB-CG1 4.43Å; V35-I343 HydrophobicContact CG1-CD1 3.84Å; V35-I343 HydrophobicContact CG1-CG1 4.33Å; L339-I343 HydrophobicContact CD1-CD1 3.93Å; L339-I343 HydrophobicContact CD1-CG1 4.12Å; L339-I343 HydrophobicContact CG-CD1 4.44Å; L339-I343 PolarHBondContact O-N 3.4Å; Q340-I343 CarbonylContact O-C 3.6Å; Q340-I343 VanDerWaalsContact O-C 3.32Å; I343-F345 HydrophobicContact CG2-CD2 4.07Å; I343-F345 HydrophobicContact CG2-CE1 4.31Å; I343-F345 HydrophobicContact CG2-CE2 3.69Å; I343-F345 HydrophobicContact CG2-CZ 3.81Å; I343-F345 PolarHBondContact O-N 3.44Å; I343-F345 VanDerWaalsContact O-N 3.14Å; I343-G346 WeakPolarHBondContact O-CA 3.38Å; I343-G346 PolarHBondContact O-N 3.3Å; I343-F351 HydrophobicContact CD1-CZ 3.94Å; I343-F351 HydrophobicContact CG2-CE2 3.97Å; I343-F351 HydrophobicContact CG2-CZ 3.98Å
344P86.9Confident90.7Very high96 Ų9644.8 Ų44.862%0.62323%0.229SC*.THydrogen-bonded Turntrans-58.7-30.9-174.7-27.835.9000114.9Q340 G346Q340-P344 WeakPolarHBondContact O-CA 3.45Å; Q340-P344 WeakPolarHBondContact O-CG 3.48Å; P344-G346 VanDerWaalsContact C-N 3.35Å
345F89.4Confident90.7Very high81 Ų8147.6 Ų47.636%0.35524%0.242SC..THydrogen-bonded Turntrans-91.78.1175.857.1-94.3000113.1W32 I343 N347 N348 F351W32-F345 HydrophobicContact CB-CE1 4.25Å; W32-F345 HydrophobicContact CB-CZ 4.13Å; W32-F345 AromaticContact CD2-CE1 3.7Å; W32-F345 HydrophobicContact CD2-CE1 3.7Å; W32-F345 AromaticContact CD2-CZ 3.49Å; W32-F345 HydrophobicContact CD2-CZ 3.49Å; W32-F345 VanDerWaalsContact CD2-CZ 3.49Å; W32-F345 HydrophobicContact CE3-CE1 4.1Å; W32-F345 HydrophobicContact CE3-CE2 4.42Å; W32-F345 AromaticContact CE3-CZ 3.42Å; W32-F345 HydrophobicContact CE3-CZ 3.42Å; W32-F345 VanDerWaalsContact CE3-CZ 3.42Å; W32-F345 AromaticContact CG-CE1 3.78Å; W32-F345 HydrophobicContact CG-CE1 3.78Å; W32-F345 AromaticContact CG-CZ 3.84Å; W32-F345 HydrophobicContact CG-CZ 3.84Å; W32-F345 AromaticContact CZ3-CZ 3.96Å; W32-F345 HydrophobicContact CZ3-CZ 3.96Å; I343-F345 HydrophobicContact CG2-CD2 4.07Å; I343-F345 HydrophobicContact CG2-CE1 4.31Å; I343-F345 HydrophobicContact CG2-CE2 3.69Å; I343-F345 HydrophobicContact CG2-CZ 3.81Å; I343-F345 PolarHBondContact O-N 3.44Å; I343-F345 VanDerWaalsContact O-N 3.14Å; F345-N347 PolarHBondContact O-N 3.07Å; F345-N347 VanDerWaalsContact O-N 3.14Å; F345-N348 WeakPolarHBondContact O-CB 3.44Å; F345-N348 PolarHBondContact O-N 2.91Å; F345-F351 HydrophobicContact CD2-CB 4.4Å; F345-F351 AromaticContact CD2-CD2 3.88Å; F345-F351 HydrophobicContact CD2-CD2 3.88Å; F345-F351 HydrophobicContact CD2-CG 4.32Å; F345-F351 AromaticContact CE2-CD2 3.6Å; F345-F351 HydrophobicContact CE2-CD2 3.6Å; F345-F351 AromaticContact CE2-CE2 3.94Å; F345-F351 HydrophobicContact CE2-CE2 3.94Å; F345-F351 HydrophobicContact CE2-CG 4.46Å
346G88.9Confident90.6Very high0 Ų046.6 Ų46.60%024%0.237CC..THydrogen-bonded Turntrans-62.8-22.5-174.400000114.3W303 I343 P344 F351 R352W303-G346 VanDerWaalsContact CZ2-C 3.41Å; I343-G346 WeakPolarHBondContact O-CA 3.38Å; I343-G346 PolarHBondContact O-N 3.3Å; P344-G346 VanDerWaalsContact C-N 3.35Å; G346-F351 WeakPolarHBondContact O-CD1 3.4Å; G346-R352 WeakPolarHBondContact O-CG 3.43Å
347N93.1Very high90.6Very high37 Ų3752.7 Ų52.720%0.19826%0.259CS..THydrogen-bonded Turntrans-88.1-1173.2-163.751.5000113.7P302 W303 K306 F345 R352P302-N347 WeakPolarHBondContact CA-OD1 3.49Å; W303-N347 HydrophobicContact CD2-CB 4.01Å; W303-N347 HydrophobicContact CE3-CB 3.77Å; W303-N347 HydrophobicContact CZ3-CB 4.11Å; W303-N347 PolarHBondContact N-OD1 3.49Å; K306-N347 WeakPolarHBondContact CB-ND2 3.41Å; F345-N347 PolarHBondContact O-N 3.07Å; F345-N347 VanDerWaalsContact O-N 3.14Å; N347-R352 VanDerWaalsContact O-CZ 3.3Å; N347-R352 PolarHBondContact O-NE 3.14Å; N347-R352 PolarHBondContact O-NH2 3.3Å
348N94.2Very high90.5Very high76 Ų7653.5 Ų53.541%0.40626%0.263SS..SBendtrans-61.9136174.2-175.9-69.5000110.1F345 V350 F351 R352F345-N348 WeakPolarHBondContact O-CB 3.44Å; F345-N348 PolarHBondContact O-N 2.91Å; N348-V350 VanDerWaalsContact C-N 3.27Å; N348-V350 PolarHBondContact O-N 3.01Å; N348-V350 VanDerWaalsContact OD1-CB 3.31Å; N348-V350 WeakPolarHBondContact OD1-CB 3.47Å; N348-V350 PolarHBondContact OD1-N 3.17Å; N348-F351 HydrophobicContact CB-CB 4.29Å; N348-F351 PolarHBondContact O-N 3.41Å; N348-R352 PolarHBondContact O-N 3.04Å
349P95Very high90.5Very high82 Ų8252.9 Ų52.953%0.53226%0.261SS..Hα-helixtrans-54-38.8179.4-2633.5000114.4R352 W353P349-R352 PolarHBondContact O-N 3.3Å; P349-W353 WeakPolarHBondContact O-CB 3.45Å; P349-W353 PolarHBondContact O-N 3.3Å
350V94.7Very high90.5Very high95 Ų9554.1 Ų54.158%0.57627%0.27SS*.Hα-helixtrans-65.1-45.9179179.90000110.5N348 W353 L354N348-V350 VanDerWaalsContact C-N 3.27Å; N348-V350 PolarHBondContact O-N 3.01Å; N348-V350 VanDerWaalsContact OD1-CB 3.31Å; N348-V350 WeakPolarHBondContact OD1-CB 3.47Å; N348-V350 PolarHBondContact OD1-N 3.17Å; V350-W353 PolarHBondContact O-N 2.99Å; V350-L354 HydrophobicContact CG1-CD1 3.94Å; V350-L354 WeakPolarHBondContact O-CG 3.37Å; V350-L354 PolarHBondContact O-N 3.07Å
351F94.1Very high90.4Very high13 Ų1352.2 Ų52.26%0.05726%0.261CS..Hα-helixtrans-61.3-48175.6-179.7-86.7000111.4L40 I343 F345 G346 N348 W353 L354 F355 G356 V359L40-F351 HydrophobicContact CD1-CZ 4.36Å; I343-F351 HydrophobicContact CD1-CZ 3.94Å; I343-F351 HydrophobicContact CG2-CE2 3.97Å; I343-F351 HydrophobicContact CG2-CZ 3.98Å; F345-F351 HydrophobicContact CD2-CB 4.4Å; F345-F351 AromaticContact CD2-CD2 3.88Å; F345-F351 HydrophobicContact CD2-CD2 3.88Å; F345-F351 HydrophobicContact CD2-CG 4.32Å; F345-F351 AromaticContact CE2-CD2 3.6Å; F345-F351 HydrophobicContact CE2-CD2 3.6Å; F345-F351 AromaticContact CE2-CE2 3.94Å; F345-F351 HydrophobicContact CE2-CE2 3.94Å; F345-F351 HydrophobicContact CE2-CG 4.46Å; G346-F351 WeakPolarHBondContact O-CD1 3.4Å; N348-F351 HydrophobicContact CB-CB 4.29Å; N348-F351 PolarHBondContact O-N 3.41Å; F351-W353 PolarHBondContact O-N 3.45Å; F351-L354 PolarHBondContact O-N 3.48Å; F351-F355 HydrophobicContact CD1-CB 4.34Å; F351-F355 HydrophobicContact CD2-CB 4.1Å; F351-F355 AromaticContact CD2-CD2 3.96Å; F351-F355 HydrophobicContact CD2-CD2 3.96Å; F351-F355 HydrophobicContact CD2-CG 4.29Å; F351-F355 HydrophobicContact CE1-CB 3.96Å; F351-F355 HydrophobicContact CE2-CB 3.69Å; F351-F355 HydrophobicContact CE2-CD2 4.04Å; F351-F355 AromaticContact CE2-CG 3.95Å; F351-F355 HydrophobicContact CE2-CG 3.95Å; F351-F355 HydrophobicContact CG-CB 4.43Å; F351-F355 HydrophobicContact CZ-CB 3.62Å; F351-F355 HydrophobicContact CZ-CG 4.36Å; F351-F355 WeakPolarHBondContact O-CA 3.18Å; F351-F355 PolarHBondContact O-N 2.65Å; F351-G356 PolarHBondContact O-N 2.94Å; F351-V359 HydrophobicContact CE1-CG2 4.18Å
352R94.8Very high90.4Very high25 Ų2550.5 Ų50.59%0.09425%0.251CS..Hα-helixtrans-60.5-34.9-179.2-75.8-174.1-82.7145.5-14.7112.5F300 K301 P302 G346 N347 N348 P349 G356F300-R352 PolarHBondContact O-NH1 3.29Å; K301-R352 WeakPolarHBondContact O-CD 2.99Å; P302-R352 VanDerWaalsContact CD-NH1 3.32Å; G346-R352 WeakPolarHBondContact O-CG 3.43Å; N347-R352 VanDerWaalsContact O-CZ 3.3Å; N347-R352 PolarHBondContact O-NE 3.14Å; N347-R352 PolarHBondContact O-NH2 3.3Å; N348-R352 PolarHBondContact O-N 3.04Å; P349-R352 PolarHBondContact O-N 3.3Å; R352-G356 WeakPolarHBondContact O-CA 3.33Å; R352-G356 PolarHBondContact O-N 3.09Å; R352-G356 VanDerWaalsContact O-N 3.1Å
353W93.8Very high90.3Very high180 Ų18050.9 Ų50.968%0.68225%0.253SS*.Hα-helixtrans-71.6-44.1177.1-15984.4000112.2P349 V350 F351P349-W353 WeakPolarHBondContact O-CB 3.45Å; P349-W353 PolarHBondContact O-N 3.3Å; V350-W353 PolarHBondContact O-N 2.99Å; F351-W353 PolarHBondContact O-N 3.45Å
354L92.3Very high89.7Confident85 Ų8551.3 Ų51.345%0.44526%0.256SS..Hα-helixtrans-80.3-44.5-177.2-66.8174000114V350 F351 W357V350-L354 HydrophobicContact CG1-CD1 3.94Å; V350-L354 WeakPolarHBondContact O-CG 3.37Å; V350-L354 PolarHBondContact O-N 3.07Å; F351-L354 PolarHBondContact O-N 3.48Å; L354-W357 PolarHBondContact O-NE1 2.67Å
355F91.6Very high89.1Confident60 Ų6047.5 Ų47.526%0.26323%0.23SC..THydrogen-bonded Turntrans-118.7-14.5-169.9-65.1-87.7000113.6C36 F351 W357 M358C36-F355 HydrophobicContact CB-CD1 4.44Å; C36-F355 HydrophobicContact CB-CE1 4.45Å; F351-F355 HydrophobicContact CD1-CB 4.34Å; F351-F355 HydrophobicContact CD2-CB 4.1Å; F351-F355 AromaticContact CD2-CD2 3.96Å; F351-F355 HydrophobicContact CD2-CD2 3.96Å; F351-F355 HydrophobicContact CD2-CG 4.29Å; F351-F355 HydrophobicContact CE1-CB 3.96Å; F351-F355 HydrophobicContact CE2-CB 3.69Å; F351-F355 HydrophobicContact CE2-CD2 4.04Å; F351-F355 AromaticContact CE2-CG 3.95Å; F351-F355 HydrophobicContact CE2-CG 3.95Å; F351-F355 HydrophobicContact CG-CB 4.43Å; F351-F355 HydrophobicContact CZ-CB 3.62Å; F351-F355 HydrophobicContact CZ-CG 4.36Å; F351-F355 WeakPolarHBondContact O-CA 3.18Å; F351-F355 PolarHBondContact O-N 2.65Å; F355-W357 PolarHBondContact O-N 3.23Å; F355-M358 HydrophobicContact CB-CE 4.21Å; F355-M358 HydrophobicContact CD1-CE 3.31Å; F355-M358 HydrophobicContact CE1-CE 4.04Å; F355-M358 HydrophobicContact CG-CE 4.17Å; F355-M358 PolarHBondContact O-N 3.35Å
356G89.9Confident88.6Confident2 Ų244.1 Ų44.12%0.02122%0.216CC..THydrogen-bonded Turntrans-64.6-16.4-171.800000115.3H299 F351 R352 M358H299-G356 WeakPolarHBondContact CB-O 3.25Å; F351-G356 PolarHBondContact O-N 2.94Å; R352-G356 WeakPolarHBondContact O-CA 3.33Å; R352-G356 PolarHBondContact O-N 3.09Å; R352-G356 VanDerWaalsContact O-N 3.1Å; G356-M358 VanDerWaalsContact C-N 3.34Å
357W91.6Very high87.8Confident144 Ų14445 Ų4555%0.54522%0.22SC..THydrogen-bonded Turntrans-80.3-15.6175.963.9-88.5000113.1V44 H299 L354 F355V44-W357 HydrophobicContact CG1-CZ3 4.2Å; V44-W357 HydrophobicContact CG2-CZ3 4.15Å; H299-W357 HydrophobicContact CB-CB 3.92Å; L354-W357 PolarHBondContact O-NE1 2.67Å; F355-W357 PolarHBondContact O-N 3.23Å
358M91.4Very high86.7Confident17 Ų1748 Ų488%0.08424%0.235CC..SBendtrans-93.7-5175.3-55.7-168.4-78.800113.1L40 P41 V44 F355 G356L40-M358 HydrophobicContact CB-CB 3.83Å; L40-M358 HydrophobicContact CB-CE 4.25Å; L40-M358 HydrophobicContact CB-SD 4.32Å; L40-M358 HydrophobicContact CD1-CB 4.42Å; L40-M358 HydrophobicContact CD2-CB 4.49Å; L40-M358 WeakPolarHBondContact CD2-O 3.38Å; L40-M358 HydrophobicContact CG-CB 4.47Å; P41-M358 HydrophobicContact CG-SD 4.07Å; V44-M358 HydrophobicContact CG2-CB 3.76Å; V44-M358 HydrophobicContact CG2-CG 3.78Å; V44-M358 HydrophobicContact CG2-SD 4.46Å; F355-M358 HydrophobicContact CB-CE 4.21Å; F355-M358 HydrophobicContact CD1-CE 3.31Å; F355-M358 HydrophobicContact CE1-CE 4.04Å; F355-M358 HydrophobicContact CG-CE 4.17Å; F355-M358 PolarHBondContact O-N 3.35Å; G356-M358 VanDerWaalsContact C-N 3.34Å
359V89.8Confident85.4Confident13 Ų1346.4 Ų46.48%0.07923%0.229CC..PPolyproline II helixtrans-88.8138.6-178164.50000109.4L40 R333 L339 F351L40-V359 HydrophobicContact CD1-CG2 4.13Å; L40-V359 HydrophobicContact CD2-CG2 3.99Å; R333-V359 HydrophobicContact CB-CG1 4.26Å; R333-V359 WeakPolarHBondContact O-CG1 3.29Å; L339-V359 HydrophobicContact CD2-CG1 3.46Å; L339-V359 VanDerWaalsContact CD2-CG1 3.46Å; L339-V359 HydrophobicContact CD2-CG2 4.27Å; F351-V359 HydrophobicContact CE1-CG2 4.18Å
360P88.6Confident84.1Confident27 Ų2744.1 Ų44.118%0.17521%0.211CC..SBendcis-84.1153.47.835-35.9000114T332 I335T332-P360 HydrophobicContact CG2-CG 3.77Å; T332-P360 WeakPolarHBondContact O-CB 3.19Å; T332-P360 WeakPolarHBondContact O-CG 3.22Å; I335-P360 HydrophobicContact CD1-CB 4.37Å; I335-P360 HydrophobicContact CG1-CB 4.11Å
361P86Confident82.7Confident2 Ų241.6 Ų41.61%0.01320%0.204CC..PPolyproline II helixtrans-62.3144164.128.4-31.6000109.5V35 L39 L40 L339 I363V35-P361 HydrophobicContact CG1-CB 4.48Å; L39-P361 HydrophobicContact CD2-CB 3.81Å; L39-P361 HydrophobicContact CG-CB 4.14Å; L40-P361 HydrophobicContact CD2-CB 3.8Å; L40-P361 HydrophobicContact CD2-CG 4.22Å; L339-P361 HydrophobicContact CD1-CG 3.83Å; P361-I363 PolarHBondContact O-N 2.76Å; P361-I363 VanDerWaalsContact O-N 3.11Å
362K83.6Confident81.4Confident11 Ų1146.9 Ų46.95%0.04823%0.228CC..PPolyproline II helixtrans-62.8118.7173-71.5-58.3-178.9-1690109.9S43 F46 D47 D161 S364 L365 L366S43-K362 PolarHBondContact OG-N 3.12Å; F46-K362 HydrophobicContact CD1-CG 4.23Å; D47-K362 WeakPolarHBondContact OD1-CE 3.13Å; D47-K362 IonicContact OD1-NZ 3.48Å; D47-K362 PolarHBondContact OD1-NZ 3.1Å; D47-K362 WeakPolarHBondContact OD2-CE 3.13Å; D47-K362 IonicContact OD2-NZ 2.8Å; D47-K362 PolarHBondContact OD2-NZ 2.92Å; D161-K362 IonicContact OD1-NZ 3.72Å; D161-K362 PolarHBondContact OD1-NZ 3.31Å; D161-K362 VanDerWaalsContact OD2-CD 3.27Å; D161-K362 WeakPolarHBondContact OD2-CD 3.35Å; D161-K362 IonicContact OD2-NZ 2.65Å; D161-K362 PolarHBondContact OD2-NZ 2.67Å; K362-S364 PolarHBondContact O-N 2.96Å; K362-S364 VanDerWaalsContact O-N 3.09Å; K362-L365 HydrophobicContact CB-CB 4.19Å; K362-L365 HydrophobicContact CB-CD1 4.01Å; K362-L365 HydrophobicContact CB-CG 3.89Å; K362-L365 HydrophobicContact CG-CD1 4.44Å; K362-L365 PolarHBondContact O-N 3.49Å; K362-L366 PolarHBondContact O-N 3.22Å
363I79.1Confident79.9Confident22 Ų2250.8 Ų50.811%0.11326%0.255CS..Hα-helixtrans-51.5-37176-63.6171.2000110.1V100 I335 P361 L366 K367V100-I363 HydrophobicContact CG1-CD1 3.88Å; I335-I363 HydrophobicContact CD1-CD1 4.34Å; I335-I363 HydrophobicContact CD1-CG1 3.89Å; I335-I363 HydrophobicContact CG2-CD1 4.17Å; P361-I363 PolarHBondContact O-N 2.76Å; P361-I363 VanDerWaalsContact O-N 3.11Å; I363-L366 WeakPolarHBondContact O-CB 3.33Å; I363-L366 PolarHBondContact O-N 3.08Å; I363-K367 HydrophobicContact CG2-CD 4.45Å; I363-K367 WeakPolarHBondContact O-CG 3.39Å; I363-K367 PolarHBondContact O-N 3.12Å
364S74.1Confident78.7Confident10 Ų1042.8 Ų42.87%0.0723%0.226CC..Hα-helixtrans-64.1-42179.461.40000113.8W97 K362 L368W97-S364 WeakPolarHBondContact O-CA 3.27Å; W97-S364 WeakPolarHBondContact O-CB 3.25Å; K362-S364 PolarHBondContact O-N 2.96Å; K362-S364 VanDerWaalsContact O-N 3.09Å; S364-L368 PolarHBondContact O-N 2.73Å
365L75.9Confident77.7Confident16 Ų1641 Ų418%0.08421%0.213CC..Hα-helixtrans-74.2-37.3175.5-60.2-179.7000111.1L39 L42 W97 K362 K367 L368 T369L39-L365 HydrophobicContact CD1-CB 3.37Å; L39-L365 HydrophobicContact CD1-CD1 4.45Å; L39-L365 HydrophobicContact CG-CB 4.48Å; L42-L365 HydrophobicContact CB-CD1 4.32Å; L42-L365 HydrophobicContact CD2-CD1 4Å; L42-L365 HydrophobicContact CD2-CD2 4.45Å; L42-L365 HydrophobicContact CG-CD1 3.83Å; W97-L365 HydrophobicContact CZ3-CD2 4.27Å; K362-L365 HydrophobicContact CB-CB 4.19Å; K362-L365 HydrophobicContact CB-CD1 4.01Å; K362-L365 HydrophobicContact CB-CG 3.89Å; K362-L365 HydrophobicContact CG-CD1 4.44Å; K362-L365 PolarHBondContact O-N 3.49Å; L365-K367 VanDerWaalsContact C-N 3.26Å; L365-K367 PolarHBondContact O-N 2.93Å; L365-L368 HydrophobicContact CD2-CD1 4.12Å; L365-L368 WeakPolarHBondContact O-CB 3.42Å; L365-L368 PolarHBondContact O-N 3.38Å; L365-L368 VanDerWaalsContact O-N 3.13Å; L365-T369 WeakPolarHBondContact O-CG2 3.32Å; L365-T369 PolarHBondContact O-N 3.41Å
366L77.1Confident76.6Confident10 Ų1044.9 Ų44.95%0.05223%0.226CC..Hα-helixtrans-56-44175.8-174.970.9000110.8V35 L39 I342 K362 I363 T369 Q370V35-L366 HydrophobicContact CG2-CD1 4.2Å; L39-L366 HydrophobicContact CD2-CB 3.95Å; L39-L366 HydrophobicContact CD2-CD1 3.53Å; L39-L366 HydrophobicContact CD2-CG 4.36Å; I342-L366 HydrophobicContact CD1-CD1 4.25Å; I342-L366 HydrophobicContact CD1-CD2 3.51Å; K362-L366 PolarHBondContact O-N 3.22Å; I363-L366 WeakPolarHBondContact O-CB 3.33Å; I363-L366 PolarHBondContact O-N 3.08Å; L366-T369 PolarHBondContact O-N 3.12Å; L366-T369 PolarHBondContact O-OG1 2.86Å; L366-Q370 WeakPolarHBondContact O-CG 3.15Å; L366-Q370 PolarHBondContact O-N 3.42Å
367K73.6Confident75.7Confident17 Ų1749 Ų497%0.07425%0.247CC..Hα-helixtrans-63.9-38.6175.8-75.7167.2154.5-168.30114.5G96 T99 S101 I363 L365 T369 Q370G96-K367 PolarHBondContact O-NZ 2.7Å; T99-K367 PolarHBondContact O-NZ 2.87Å; T99-K367 PolarHBondContact OG1-NZ 2.99Å; S101-K367 WeakPolarHBondContact O-CE 3.08Å; S101-K367 PolarHBondContact O-NZ 3.27Å; I363-K367 HydrophobicContact CG2-CD 4.45Å; I363-K367 WeakPolarHBondContact O-CG 3.39Å; I363-K367 PolarHBondContact O-N 3.12Å; L365-K367 VanDerWaalsContact C-N 3.26Å; L365-K367 PolarHBondContact O-N 2.93Å; K367-T369 PolarHBondContact O-N 3.48Å; K367-T369 VanDerWaalsContact O-N 3.14Å; K367-Q370 PolarHBondContact O-N 2.92Å; K367-Q370 VanDerWaalsContact O-N 3.13Å
368L68.8Low74.8Confident100 Ų10044.4 Ų44.452%0.52423%0.23SC..Hα-helixtrans-60-25177.1-74.1174.1000112W97 S364 L365W97-L368 HydrophobicContact CB-CD2 3.68Å; W97-L368 HydrophobicContact CB-CG 3.9Å; W97-L368 HydrophobicContact CD2-CD1 3.86Å; W97-L368 HydrophobicContact CD2-CD2 4.02Å; W97-L368 HydrophobicContact CD2-CG 4.02Å; W97-L368 HydrophobicContact CE3-CD1 3.62Å; W97-L368 HydrophobicContact CE3-CG 4.02Å; W97-L368 HydrophobicContact CG-CD1 4.34Å; W97-L368 HydrophobicContact CG-CD2 3.62Å; W97-L368 HydrophobicContact CG-CG 3.99Å; W97-L368 HydrophobicContact CZ3-CD1 4.03Å; S364-L368 PolarHBondContact O-N 2.73Å; L365-L368 HydrophobicContact CD2-CD1 4.12Å; L365-L368 WeakPolarHBondContact O-CB 3.42Å; L365-L368 PolarHBondContact O-N 3.38Å; L365-L368 VanDerWaalsContact O-N 3.13Å
369T66.8Low73.8Confident44 Ų4445.9 Ų45.927%0.2724%0.236SC..THydrogen-bonded Turntrans-96.10.4-176.665.80000113F34 L365 L366 K367 G371F34-T369 HydrophobicContact CE1-CG2 3.48Å; F34-T369 VanDerWaalsContact CE1-CG2 3.48Å; F34-T369 HydrophobicContact CZ-CG2 3.6Å; L365-T369 WeakPolarHBondContact O-CG2 3.32Å; L365-T369 PolarHBondContact O-N 3.41Å; L366-T369 PolarHBondContact O-N 3.12Å; L366-T369 PolarHBondContact O-OG1 2.86Å; K367-T369 PolarHBondContact O-N 3.48Å; K367-T369 VanDerWaalsContact O-N 3.14Å; T369-G371 PolarHBondContact O-N 3.01Å
370Q67.9Low73Confident34 Ų3450.8 Ų50.816%0.15926%0.259CS..  trans-86.2106.2175.2-69.5176.87.600110.5R31 L366 K367 I374R31-Q370 VanDerWaalsContact NH2-CG 3.31Å; L366-Q370 WeakPolarHBondContact O-CG 3.15Å; L366-Q370 PolarHBondContact O-N 3.42Å; K367-Q370 PolarHBondContact O-N 2.92Å; K367-Q370 VanDerWaalsContact O-N 3.13Å; Q370-I374 HydrophobicContact CB-CG2 4.5Å; Q370-I374 HydrophobicContact CG-CG2 4.26Å
371G65.8Low72.5Confident41 Ų4154.3 Ų54.342%0.42327%0.272SS..  trans-67.6167.4168.400000112.6T369 T373 I374 R375T369-G371 PolarHBondContact O-N 3.01Å; G371-T373 VanDerWaalsContact C-N 3.31Å; G371-T373 PolarHBondContact O-N 3.39Å; G371-I374 PolarHBondContact O-N 3.28Å; G371-R375 PolarHBondContact O-N 3.04Å
372E66.8Low72.4Confident124 Ų12455.2 Ų55.258%0.57928%0.276SS*.Hα-helixtrans-58.5-40-176.1-167.8177.2175.600112.8R375 R376E372-R375 PolarHBondContact O-N 3.14Å; E372-R376 WeakPolarHBondContact O-CG 2.77Å; E372-R376 PolarHBondContact O-N 3.29Å; E372-R376 IonicContact OE1-CZ 3.48Å; E372-R376 IonicContact OE1-NE 3.71Å; E372-R376 IonicContact OE1-NH2 3.67Å; E372-R376 PolarHBondContact OE1-NH2 3.25Å
373T62.8Low72.6Confident107 Ų10754.9 Ų54.966%0.65628%0.276SS*.Hα-helixtrans-62.1-45177.2-50.90000112.4G371 R375 R376 L377G371-T373 VanDerWaalsContact C-N 3.31Å; G371-T373 PolarHBondContact O-N 3.39Å; T373-R375 VanDerWaalsContact C-N 3.33Å; T373-R376 PolarHBondContact O-N 3.07Å; T373-L377 PolarHBondContact O-N 3.47Å
374I68.5Low73.1Confident12 Ų1255 Ų556%0.06228%0.277CS..Hα-helixtrans-66.7-40.3179.1-67.1169.4000109.7I27 V28 Q370 G371 L377 Y378I27-I374 HydrophobicContact CG2-CD1 3.5Å; I27-I374 VanDerWaalsContact CG2-CD1 3.5Å; V28-I374 HydrophobicContact CG2-CD1 4.02Å; V28-I374 HydrophobicContact CG2-CG1 3.7Å; Q370-I374 HydrophobicContact CB-CG2 4.5Å; Q370-I374 HydrophobicContact CG-CG2 4.26Å; G371-I374 PolarHBondContact O-N 3.28Å; I374-L377 WeakPolarHBondContact O-CB 3.35Å; I374-L377 PolarHBondContact O-N 3.16Å; I374-Y378 HydrophobicContact CG2-CD2 3.76Å; I374-Y378 HydrophobicContact CG2-CE2 3.97Å; I374-Y378 WeakPolarHBondContact O-CD2 3.34Å; I374-Y378 PolarHBondContact O-N 3.12Å
375R71.5Confident74Confident47 Ų4754.7 Ų54.718%0.17727%0.274CS..Hα-helixtrans-63.5-44.4178.3-147.1-175.780.6-133-21.7111.7G371 E372 T373 L377 Y378 E379 H517G371-R375 PolarHBondContact O-N 3.04Å; E372-R375 PolarHBondContact O-N 3.14Å; T373-R375 VanDerWaalsContact C-N 3.33Å; R375-L377 VanDerWaalsContact C-N 3.33Å; R375-L377 PolarHBondContact O-N 3.38Å; R375-Y378 PolarHBondContact O-N 2.87Å; R375-E379 IonicContact CZ-OE1 3.31Å; R375-E379 IonicContact NE-OE1 3.2Å; R375-E379 PolarHBondContact NE-OE1 2.93Å; R375-E379 IonicContact NH2-OE1 2.7Å; R375-E379 PolarHBondContact NH2-OE1 3.24Å; R375-E379 WeakPolarHBondContact O-CB 3.33Å; R375-E379 VanDerWaalsContact O-CG 3.25Å; R375-E379 WeakPolarHBondContact O-CG 3.31Å; R375-E379 PolarHBondContact O-N 3.04Å; R375-H517 VanDerWaalsContact CZ-C 3.42Å; R375-H517 VanDerWaalsContact NH1-CB 3.29Å; R375-H517 PolarHBondContact NH2-O 3.1Å; R375-H517 PolarHBondContact NH2-OXT 2.66Å
376R69.8Low74.9Confident142 Ų14254 Ų5454%0.53627%0.271SS..Hα-helixtrans-61.1-40.5174.4-71.9-179-171.4-177.62.6112.3E372 T373 E379 Q380E372-R376 WeakPolarHBondContact O-CG 2.77Å; E372-R376 PolarHBondContact O-N 3.29Å; E372-R376 IonicContact OE1-CZ 3.48Å; E372-R376 IonicContact OE1-NE 3.71Å; E372-R376 IonicContact OE1-NH2 3.67Å; E372-R376 PolarHBondContact OE1-NH2 3.25Å; T373-R376 PolarHBondContact O-N 3.07Å; R376-E379 PolarHBondContact O-N 3.19Å; R376-Q380 WeakPolarHBondContact O-CB 3.33Å; R376-Q380 VanDerWaalsContact O-CG 3.32Å; R376-Q380 WeakPolarHBondContact O-CG 3.32Å; R376-Q380 PolarHBondContact O-N 3.35Å; R376-Q380 VanDerWaalsContact O-N 3.09Å
377L69.6Low75.9Confident88 Ų8853.5 Ų53.546%0.46127%0.268SS..Hα-helixtrans-61-49.8176.5-167.493.3000111.2T373 I374 R375 Q380 H381T373-L377 PolarHBondContact O-N 3.47Å; I374-L377 WeakPolarHBondContact O-CB 3.35Å; I374-L377 PolarHBondContact O-N 3.16Å; R375-L377 VanDerWaalsContact C-N 3.33Å; R375-L377 PolarHBondContact O-N 3.38Å; L377-Q380 PolarHBondContact O-N 3.47Å; L377-H381 WeakPolarHBondContact O-CB 3.34Å; L377-H381 PolarHBondContact O-N 3.34Å; L377-H381 PolarHBondContact O-ND1 2.84Å; L377-H381 VanDerWaalsContact O-ND1 3.12Å
378Y72.9Confident77.1Confident49 Ų4952.7 Ų52.719%0.19227%0.265CS..Hα-helixtrans-58.9-46.9175.9-96.1-92000111.4R31 I374 R375 Q380 H381 H382R31-Y378 PolarHBondContact NH1-OH 3.34Å; I374-Y378 HydrophobicContact CG2-CD2 3.76Å; I374-Y378 HydrophobicContact CG2-CE2 3.97Å; I374-Y378 WeakPolarHBondContact O-CD2 3.34Å; I374-Y378 PolarHBondContact O-N 3.12Å; R375-Y378 PolarHBondContact O-N 2.87Å; Y378-Q380 PolarHBondContact O-N 2.96Å; Y378-H381 PolarHBondContact O-N 3.29Å; Y378-H382 HydrophobicContact CD1-CB 3.78Å; Y378-H382 AromaticContact CD1-CD2 3.9Å; Y378-H382 AromaticContact CD1-CG 3.77Å; Y378-H382 HydrophobicContact CE1-CB 4.42Å; Y378-H382 HydrophobicContact CG-CB 4.46Å; Y378-H382 WeakPolarHBondContact O-CA 3.27Å; Y378-H382 WeakPolarHBondContact O-CB 3.31Å; Y378-H382 PolarHBondContact O-N 3Å
379E71.3Confident78.5Confident47 Ų4748 Ų4822%0.2224%0.24CC..Hα-helixtrans-62.5-25.2179.2-73.2178.5-139.700113.7R375 R376 A451 K513R375-E379 IonicContact CZ-OE1 3.31Å; R375-E379 IonicContact NE-OE1 3.2Å; R375-E379 PolarHBondContact NE-OE1 2.93Å; R375-E379 IonicContact NH2-OE1 2.7Å; R375-E379 PolarHBondContact NH2-OE1 3.24Å; R375-E379 WeakPolarHBondContact O-CB 3.33Å; R375-E379 VanDerWaalsContact O-CG 3.25Å; R375-E379 WeakPolarHBondContact O-CG 3.31Å; R375-E379 PolarHBondContact O-N 3.04Å; R376-E379 PolarHBondContact O-N 3.19Å; E379-A451 WeakPolarHBondContact O-CB 3.3Å; E379-K513 WeakPolarHBondContact OE2-CE 3.35Å; E379-K513 IonicContact OE2-NZ 2.94Å; E379-K513 PolarHBondContact OE2-NZ 2.94Å
380Q72.2Confident79.9Confident117 Ų11745.9 Ų45.955%0.54723%0.227SC..Hα-helixtrans-96.7-25.7-178.1-72.3-179-31.200114R376 L377 Y378 F449R376-Q380 WeakPolarHBondContact O-CB 3.33Å; R376-Q380 VanDerWaalsContact O-CG 3.32Å; R376-Q380 WeakPolarHBondContact O-CG 3.32Å; R376-Q380 PolarHBondContact O-N 3.35Å; R376-Q380 VanDerWaalsContact O-N 3.09Å; L377-Q380 PolarHBondContact O-N 3.47Å; Y378-Q380 PolarHBondContact O-N 2.96Å; Q380-F449 WeakPolarHBondContact O-CD1 3.43Å; Q380-F449 VanDerWaalsContact O-CE1 3.25Å; Q380-F449 WeakPolarHBondContact O-CE1 3.43Å
381H78.1Confident81.4Confident100 Ų10045.3 Ų45.346%0.46323%0.225SC..Hα-helixtrans-1285.4-169.8-56.685.3000113.8L377 Y378 E443 P444L377-H381 WeakPolarHBondContact O-CB 3.34Å; L377-H381 PolarHBondContact O-N 3.34Å; L377-H381 PolarHBondContact O-ND1 2.84Å; L377-H381 VanDerWaalsContact O-ND1 3.12Å; Y378-H381 PolarHBondContact O-N 3.29Å; H381-E443 WeakPolarHBondContact O-CA 3.43Å; H381-P444 WeakPolarHBondContact O-CD 3.32Å
382H84.8Confident82.9Confident21 Ų2150.2 Ų50.210%0.09724%0.235CC..  trans-129136-179.5-161.575.9000110.2E338 D341 Y378 G442E338-H382 IonicContact OE1-CE1 2.69Å; E338-H382 PolarHBondContact OE1-CE1 3.3Å; E338-H382 IonicContact OE1-NE2 3.66Å; E338-H382 PolarHBondContact OE1-NE2 2.89Å; E338-H382 IonicContact OE2-CD2 3.22Å; E338-H382 IonicContact OE2-CE1 3.01Å; E338-H382 IonicContact OE2-NE2 3.74Å; E338-H382 PolarHBondContact OE2-NE2 3.2Å; D341-H382 IonicContact OD2-CE1 3.51Å; D341-H382 PolarHBondContact OD2-CE1 2.87Å; Y378-H382 HydrophobicContact CD1-CB 3.78Å; Y378-H382 AromaticContact CD1-CD2 3.9Å; Y378-H382 AromaticContact CD1-CG 3.77Å; Y378-H382 HydrophobicContact CE1-CB 4.42Å; Y378-H382 HydrophobicContact CG-CB 4.46Å; Y378-H382 WeakPolarHBondContact O-CA 3.27Å; Y378-H382 WeakPolarHBondContact O-CB 3.31Å; Y378-H382 PolarHBondContact O-N 3Å; H382-G442 WeakPolarHBondContact CE1-CA 3.42Å
383V86.9Confident84.4Confident5 Ų547.2 Ų47.23%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-110.1131.9177.6171.80000108.5Q385 I405 V407 A440 Y441 G442 P444 F449V383-Q385 HydrophobicContact CG1-CB 3.98Å; V383-Q385 HydrophobicContact CG1-CG 3.65Å; V383-I405 HydrophobicContact CG1-CD1 3.94Å; V383-I405 HydrophobicContact CG2-CG2 4.22Å; V383-V407 HydrophobicContact CB-CG2 4.44Å; V383-A440 HydrophobicContact CG1-CB 4.42Å; V383-Y441 VanDerWaalsContact O-CA 3.27Å; V383-Y441 WeakPolarHBondContact O-CA 3.11Å; V383-G442 PolarHBondContact N-O 2.9Å; V383-G442 PolarHBondContact O-N 2.96Å; V383-P444 HydrophobicContact CB-CG 4.29Å; V383-P444 HydrophobicContact CG2-CG 3.41Å; V383-P444 VanDerWaalsContact CG2-CG 3.41Å; V383-F449 HydrophobicContact CG2-CE1 4.41Å; V383-F449 HydrophobicContact CG2-CE2 4.03Å; V383-F449 HydrophobicContact CG2-CZ 3.55Å
384V89.9Confident86.1Confident23 Ų2342.2 Ų42.214%0.13919%0.19CC..EExtended strand (participates in β ladder)trans-134.597.6166.6178.40000106.1L102 A440 Y441 Y472 A473L102-V384 HydrophobicContact CD1-CB 4.19Å; L102-V384 HydrophobicContact CD1-CG1 4.37Å; L102-V384 HydrophobicContact CD1-CG2 3.63Å; V384-A440 WeakPolarHBondContact CA-O 3.33Å; V384-Y441 HydrophobicContact CG1-CD1 3.98Å; V384-Y441 HydrophobicContact CG1-CE1 4.39Å; V384-Y472 HydrophobicContact CG1-CE2 3.69Å; V384-A473 VanDerWaalsContact O-CB 3.24Å; V384-A473 WeakPolarHBondContact O-CB 3.24Å
385Q93Very high87.5Confident4 Ų445.9 Ų45.92%0.01921%0.207CC..EExtended strand (participates in β ladder)trans-139.6136.7-173.9-68.5-67.7-3.800110.6V383 M387 G439 A440 D474V383-Q385 HydrophobicContact CG1-CB 3.98Å; V383-Q385 HydrophobicContact CG1-CG 3.65Å; Q385-M387 HydrophobicContact CB-CE 4.35Å; Q385-M387 HydrophobicContact CG-CE 4.42Å; Q385-G439 CarbonylContact O-C 3.56Å; Q385-G439 WeakPolarHBondContact O-CA 3.5Å; Q385-A440 PolarHBondContact N-O 3.48Å; Q385-A440 PolarHBondContact O-N 3.33Å; Q385-D474 PolarHBondContact NE2-O 2.84Å
386D95.6Very high88.8Confident2 Ų246 Ų461%0.01122%0.217CC..EExtended strand (participates in β ladder)trans-128116.3171.7-69.8-87000107.3D437 G439 Y441 M470 Y472D386-D437 VanDerWaalsContact CB-OD1 3.29Å; D386-D437 WeakPolarHBondContact CB-OD1 3.44Å; D386-G439 WeakPolarHBondContact OD1-CA 3.49Å; D386-Y441 PolarHBondContact OD1-OH 3.05Å; D386-Y441 WeakPolarHBondContact OD2-CE1 3.06Å; D386-Y441 PolarHBondContact OD2-OH 2.93Å; D386-M470 HydrophobicContact CB-CB 3.85Å; D386-M470 HydrophobicContact CB-CE 4.43Å; D386-M470 HydrophobicContact CB-CG 3.53Å; D386-M470 HydrophobicContact CB-SD 3.75Å; D386-M470 PolarHBondContact O-N 3.01Å; D386-Y472 HydrophobicContact CB-CE1 4.36Å; D386-Y472 WeakPolarHBondContact OD2-CE1 3.39Å; D386-Y472 PolarHBondContact OD2-OH 3.14Å
387M97.7Very high90.2Very high0 Ų039.2 Ų39.20%019%0.192CC..EExtended strand (participates in β ladder)trans-115.9116.6-177.9-60.4-62.1-177.100108.7Q385 F401 I438 L458 E459 V462 Q469Q385-M387 HydrophobicContact CB-CE 4.35Å; Q385-M387 HydrophobicContact CG-CE 4.42Å; M387-F401 HydrophobicContact CB-CE2 3.99Å; M387-F401 HydrophobicContact CB-CZ 3.7Å; M387-F401 HydrophobicContact CG-CE2 3.94Å; M387-F401 HydrophobicContact CG-CZ 3.5Å; M387-I438 PolarHBondContact N-O 2.89Å; M387-I438 PolarHBondContact O-N 3.44Å; M387-L458 HydrophobicContact CE-CB 4.16Å; M387-E459 HydrophobicContact CE-CG 4.25Å; M387-V462 HydrophobicContact CB-CG2 3.69Å; M387-V462 HydrophobicContact CG-CG2 3.85Å; M387-V462 HydrophobicContact SD-CG2 3.82Å; M387-Q469 HydrophobicContact CE-CG 4.06Å; M387-Q469 HydrophobicContact SD-CB 3.88Å; M387-Q469 HydrophobicContact SD-CG 3.65Å
388L97.9Very high91.5Very high0 Ų035 Ų350%017%0.17CC..EExtended strand (participates in β ladder)trans-88.8112-179.7-50.6-175.9000108.5W216 F415 V436 D437 G467 F468 M470W216-L388 HydrophobicContact CH2-CD1 3.76Å; W216-L388 HydrophobicContact CZ2-CD1 4.04Å; L388-F415 HydrophobicContact CB-CE1 3.99Å; L388-F415 HydrophobicContact CB-CZ 3.84Å; L388-F415 HydrophobicContact CD1-CE1 4.4Å; L388-F415 HydrophobicContact CD1-CZ 3.97Å; L388-F415 HydrophobicContact CD2-CE1 3.83Å; L388-F415 HydrophobicContact CD2-CZ 4.23Å; L388-F415 HydrophobicContact CG-CE1 4.29Å; L388-F415 HydrophobicContact CG-CZ 4.24Å; L388-V436 WeakPolarHBondContact CA-O 3.48Å; L388-D437 HydrophobicContact CD2-CB 3.46Å; L388-D437 VanDerWaalsContact CD2-CB 3.46Å; L388-D437 VanDerWaalsContact CD2-CG 3.46Å; L388-D437 WeakPolarHBondContact CD2-OD1 3.45Å; L388-G467 CarbonylContact O-C 3.56Å; L388-G467 WeakPolarHBondContact O-CA 3.4Å; L388-F468 WeakPolarHBondContact CA-O 3.48Å; L388-F468 HydrophobicContact CB-CB 4.2Å; L388-F468 WeakPolarHBondContact CB-O 3.05Å; L388-F468 HydrophobicContact CD1-CB 4.22Å; L388-F468 PolarHBondContact N-O 2.65Å; L388-F468 PolarHBondContact O-N 2.69Å; L388-M470 HydrophobicContact CD2-CE 3.99Å; L388-M470 HydrophobicContact CD2-CG 4.31Å; L388-M470 HydrophobicContact CG-CG 4.43Å
389V98.2Very high92.7Very high0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-123.6149.5-177.9-610000111M391 A397 Y435 V436 I438 F461 V462 V465V389-M391 PolarHBondContact O-N 3.07Å; V389-A397 HydrophobicContact CG1-CB 4.38Å; V389-A397 HydrophobicContact CG2-CB 3.94Å; V389-Y435 CarbonylContact O-C 3.57Å; V389-Y435 VanDerWaalsContact O-CA 3.28Å; V389-Y435 WeakPolarHBondContact O-CA 3.13Å; V389-Y435 WeakPolarHBondContact O-CB 3.08Å; V389-Y435 WeakPolarHBondContact O-CD1 3.25Å; V389-V436 HydrophobicContact CG2-CG1 3.64Å; V389-V436 PolarHBondContact N-O 3.22Å; V389-V436 PolarHBondContact O-N 2.99Å; V389-I438 HydrophobicContact CG2-CD1 3.76Å; V389-I438 HydrophobicContact CG2-CG1 4.36Å; V389-F461 HydrophobicContact CG1-CE1 4.46Å; V389-V462 HydrophobicContact CG1-CG2 4.15Å; V389-V465 HydrophobicContact CB-CG2 4.38Å; V389-V465 HydrophobicContact CG1-CG2 4.15Å
390P97.9Very high94Very high1 Ų135.2 Ų35.21%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-57.2138.3171.2-23.532.6000110.9K392 H393 Y435 V465P390-K392 HydrophobicContact CB-CD 4.49Å; P390-K392 HydrophobicContact CB-CG 4.11Å; P390-K392 PolarHBondContact O-N 3.09Å; P390-H393 PolarHBondContact O-N 2.94Å; P390-Y435 HydrophobicContact CB-CE1 4.36Å; P390-Y435 HydrophobicContact CG-CD1 4.19Å; P390-Y435 HydrophobicContact CG-CE1 3.62Å; P390-Y435 HydrophobicContact CG-CE2 4.39Å; P390-V465 WeakPolarHBondContact CD-O 3.45Å; P390-V465 VanDerWaalsContact CG-O 3.31Å; P390-V465 WeakPolarHBondContact CG-O 3.48Å
391M98.1Very high95.2Very high21 Ų2129.7 Ų29.710%0.10315%0.147CC..G310 helixtrans-54.9-34.2-174.2-175.864.472.200112.5F255 A256 V389 H393 L394 P414 L434 V436F255-M391 HydrophobicContact CD1-CE 4Å; F255-M391 HydrophobicContact CD1-SD 3.95Å; F255-M391 HydrophobicContact CE1-CE 3.72Å; F255-M391 HydrophobicContact CE1-SD 4.14Å; A256-M391 HydrophobicContact CB-CG 3.87Å; A256-M391 HydrophobicContact CB-SD 4.08Å; V389-M391 PolarHBondContact O-N 3.07Å; M391-H393 PolarHBondContact O-N 3.23Å; M391-H393 VanDerWaalsContact O-N 3.13Å; M391-L394 VanDerWaalsContact O-CB 3.24Å; M391-L394 WeakPolarHBondContact O-CB 3.03Å; M391-L394 PolarHBondContact O-N 3.12Å; M391-L394 VanDerWaalsContact O-N 3.09Å; M391-L394 HydrophobicContact SD-CB 4.42Å; M391-L394 HydrophobicContact SD-CD2 3.79Å; M391-P414 HydrophobicContact CE-CB 3.91Å; M391-L434 HydrophobicContact CB-CB 4.26Å; M391-L434 HydrophobicContact CB-CD2 4.19Å; M391-L434 HydrophobicContact CB-CG 4.11Å; M391-L434 VanDerWaalsContact CB-O 3.22Å; M391-L434 WeakPolarHBondContact CB-O 3.42Å; M391-L434 HydrophobicContact CE-CD2 3.81Å; M391-L434 HydrophobicContact CE-CG 3.97Å; M391-L434 HydrophobicContact CG-CD2 4.03Å; M391-L434 HydrophobicContact CG-CG 4.44Å; M391-L434 PolarHBondContact N-O 3.43Å; M391-V436 HydrophobicContact CE-CB 3.89Å; M391-V436 HydrophobicContact CE-CG1 4.47Å; M391-V436 HydrophobicContact SD-CB 4.23Å; M391-V436 HydrophobicContact SD-CG1 4.21Å
392K97.2Very high96Very high145 Ų14527.6 Ų27.663%0.6314%0.137SC*.G310 helixtrans-60.2-19.8176.570.3-165.8178.9-151.40114.4P390 E433P390-K392 HydrophobicContact CB-CD 4.49Å; P390-K392 HydrophobicContact CB-CG 4.11Å; P390-K392 PolarHBondContact O-N 3.09Å; K392-E433 WeakPolarHBondContact CE-OE1 3.31Å; K392-E433 IonicContact NZ-OE1 2.94Å; K392-E433 PolarHBondContact NZ-OE1 3Å
393H98.3Very high96.5Very high60 Ų6032 Ų3228%0.27816%0.158SC..G310 helixtrans-103.94.7179-63-59.9000113.6P390 M391 Q395 A396 A397 V465P390-H393 PolarHBondContact O-N 2.94Å; M391-H393 PolarHBondContact O-N 3.23Å; M391-H393 VanDerWaalsContact O-N 3.13Å; H393-Q395 VanDerWaalsContact C-N 3.34Å; H393-Q395 PolarHBondContact O-N 3.34Å; H393-A396 PolarHBondContact O-N 3.24Å; H393-A396 VanDerWaalsContact O-N 3.13Å; H393-A397 WeakPolarHBondContact O-CB 3.01Å; H393-A397 PolarHBondContact O-N 2.83Å; H393-V465 HydrophobicContact CB-CB 4.31Å; H393-V465 HydrophobicContact CB-CG1 4.27Å
394L98.6Very high96.9Very high2 Ų233.4 Ų33.41%0.0116%0.164CC..Hα-helixtrans-52.4-46.7-175.9175.156.4000113.2C252 F255 M391 A396 A397 I398 L412 V436 I438C252-L394 HydrophobicContact CB-CD2 4.23Å; C252-L394 HydrophobicContact CB-CG 4.4Å; F255-L394 HydrophobicContact CD1-CD2 3.65Å; F255-L394 HydrophobicContact CE1-CD2 4.28Å; M391-L394 VanDerWaalsContact O-CB 3.24Å; M391-L394 WeakPolarHBondContact O-CB 3.03Å; M391-L394 PolarHBondContact O-N 3.12Å; M391-L394 VanDerWaalsContact O-N 3.09Å; M391-L394 HydrophobicContact SD-CB 4.42Å; M391-L394 HydrophobicContact SD-CD2 3.79Å; L394-A396 PolarHBondContact O-N 2.8Å; L394-A397 PolarHBondContact O-N 2.84Å; L394-I398 HydrophobicContact CD1-CD1 3.51Å; L394-I398 HydrophobicContact CD1-CG1 3.87Å; L394-I398 HydrophobicContact CG-CD1 3.83Å; L394-I398 WeakPolarHBondContact O-CG1 3.22Å; L394-I398 PolarHBondContact O-N 3.45Å; L394-L412 HydrophobicContact CD1-CD2 4.21Å; L394-V436 HydrophobicContact CB-CG1 4.21Å; L394-V436 HydrophobicContact CD1-CG1 3.84Å; L394-V436 HydrophobicContact CD1-CG2 4.24Å; L394-V436 HydrophobicContact CG-CG1 4.42Å; L394-I438 HydrophobicContact CD1-CD1 3.91Å; L394-I438 HydrophobicContact CD1-CG1 4.27Å
395Q98.5Very high97Very high90 Ų9032.3 Ų32.342%0.42116%0.158SC..Hα-helixtrans-62.5-43.6-179.7179.2169.1-20.900112.5L248 C252 H393 A397 T399L248-Q395 HydrophobicContact CD2-CG 3.89Å; L248-Q395 HydrophobicContact CG-CG 4.03Å; C252-Q395 HydrophobicContact CB-CB 4.33Å; C252-Q395 VanDerWaalsContact SG-CA 3.57Å; H393-Q395 VanDerWaalsContact C-N 3.34Å; H393-Q395 PolarHBondContact O-N 3.34Å; Q395-A397 VanDerWaalsContact C-N 3.33Å; Q395-T399 WeakPolarHBondContact O-CB 3.38Å; Q395-T399 PolarHBondContact O-N 3.15Å; Q395-T399 VanDerWaalsContact O-N 3.09Å; Q395-T399 PolarHBondContact O-OG1 3.42Å
396A98.6Very high97.2Very high48 Ų4834.2 Ų34.240%0.39717%0.168SC..Hα-helixtrans-65.7-39.8176.700000111H393 L394 T399 R400 F461H393-A396 PolarHBondContact O-N 3.24Å; H393-A396 VanDerWaalsContact O-N 3.13Å; L394-A396 PolarHBondContact O-N 2.8Å; A396-T399 WeakPolarHBondContact O-CB 3.42Å; A396-T399 PolarHBondContact O-N 3.22Å; A396-R400 PolarHBondContact O-N 3.02Å; A396-F461 HydrophobicContact CB-CE2 4.12Å; A396-F461 HydrophobicContact CB-CZ 3.99Å
397A98.4Very high97.1Very high0 Ų034.3 Ų34.30%017%0.169CC..Hα-helixtrans-64.1-49.1178.100000112.1V389 H393 L394 Q395 T399 R400 F401 I438 F461V389-A397 HydrophobicContact CG1-CB 4.38Å; V389-A397 HydrophobicContact CG2-CB 3.94Å; H393-A397 WeakPolarHBondContact O-CB 3.01Å; H393-A397 PolarHBondContact O-N 2.83Å; L394-A397 PolarHBondContact O-N 2.84Å; Q395-A397 VanDerWaalsContact C-N 3.33Å; A397-T399 VanDerWaalsContact C-N 3.29Å; A397-T399 PolarHBondContact O-N 3.37Å; A397-R400 WeakPolarHBondContact O-CA 3.44Å; A397-R400 WeakPolarHBondContact O-CB 3.05Å; A397-R400 PolarHBondContact O-N 2.77Å; A397-F401 VanDerWaalsContact O-CD2 3.31Å; A397-F401 WeakPolarHBondContact O-CD2 3.26Å; A397-F401 PolarHBondContact O-N 2.89Å; A397-I438 HydrophobicContact CB-CD1 3.42Å; A397-I438 VanDerWaalsContact CB-CD1 3.42Å; A397-F461 VanDerWaalsContact CA-CE1 3.47Å; A397-F461 HydrophobicContact CB-CE1 3.54Å; A397-F461 HydrophobicContact CB-CZ 3.94Å
398I98.5Very high97Very high0 Ų035.8 Ų35.80%018%0.175CC..Hα-helixtrans-59.5-42.2176.1-69.9162.2000110.8L248 Q271 L274 L394 R400 F401 H402 L410 L412L248-I398 HydrophobicContact CD1-CB 3.94Å; L248-I398 HydrophobicContact CD1-CD1 3.96Å; L248-I398 HydrophobicContact CD1-CG2 3.53Å; Q271-I398 VanDerWaalsContact OE1-CD1 3.25Å; L274-I398 HydrophobicContact CD1-CG2 4.02Å; L394-I398 HydrophobicContact CD1-CD1 3.51Å; L394-I398 HydrophobicContact CD1-CG1 3.87Å; L394-I398 HydrophobicContact CG-CD1 3.83Å; L394-I398 WeakPolarHBondContact O-CG1 3.22Å; L394-I398 PolarHBondContact O-N 3.45Å; I398-R400 VanDerWaalsContact C-N 3.27Å; I398-R400 PolarHBondContact O-N 2.94Å; I398-F401 PolarHBondContact O-N 3.24Å; I398-H402 WeakPolarHBondContact O-CB 3.05Å; I398-H402 PolarHBondContact O-N 3.01Å; I398-L410 HydrophobicContact CG2-CD1 4.48Å; I398-L412 HydrophobicContact CD1-CD1 4.49Å
399T98.3Very high97Very high43 Ų4336.1 Ų36.126%0.26418%0.177SC..Hα-helixtrans-58.8-42.5176.1-57.10000110.8Q395 A396 A397 H402 Q403Q395-T399 WeakPolarHBondContact O-CB 3.38Å; Q395-T399 PolarHBondContact O-N 3.15Å; Q395-T399 VanDerWaalsContact O-N 3.09Å; Q395-T399 PolarHBondContact O-OG1 3.42Å; A396-T399 WeakPolarHBondContact O-CB 3.42Å; A396-T399 PolarHBondContact O-N 3.22Å; A397-T399 VanDerWaalsContact C-N 3.29Å; A397-T399 PolarHBondContact O-N 3.37Å; T399-H402 PolarHBondContact O-N 2.99Å; T399-Q403 VanDerWaalsContact O-CG 3.27Å; T399-Q403 WeakPolarHBondContact O-CG 3.08Å; T399-Q403 PolarHBondContact O-N 3Å
400R97.3Very high97Very high57 Ų5736.2 Ų36.222%0.21518%0.177CC..Hα-helixtrans-65.6-45.9177.4-16665.8173.4151.61.2112.2A396 A397 I398 H402 Q403 E404 L458 F461A396-R400 PolarHBondContact O-N 3.02Å; A397-R400 WeakPolarHBondContact O-CA 3.44Å; A397-R400 WeakPolarHBondContact O-CB 3.05Å; A397-R400 PolarHBondContact O-N 2.77Å; I398-R400 VanDerWaalsContact C-N 3.27Å; I398-R400 PolarHBondContact O-N 2.94Å; R400-H402 VanDerWaalsContact C-N 3.3Å; R400-H402 PolarHBondContact O-N 2.74Å; R400-Q403 PolarHBondContact O-N 2.8Å; R400-E404 HydrophobicContact CG-CG 4.21Å; R400-E404 IonicContact CZ-OE1 3.76Å; R400-E404 IonicContact NE-OE1 3.38Å; R400-E404 IonicContact NH1-OE1 3.91Å; R400-E404 PolarHBondContact NH1-OE1 2.88Å; R400-E404 IonicContact NH2-OE1 2.93Å; R400-E404 PolarHBondContact NH2-OE1 3.22Å; R400-E404 VanDerWaalsContact NH2-OE1 3.17Å; R400-E404 WeakPolarHBondContact O-CB 3.27Å; R400-E404 WeakPolarHBondContact O-CG 3.17Å; R400-E404 PolarHBondContact O-N 3.2Å; R400-L458 HydrophobicContact CB-CD2 4.45Å; R400-L458 HydrophobicContact CG-CD2 3.88Å; R400-F461 HydrophobicContact CB-CD1 4.5Å; R400-F461 HydrophobicContact CB-CG 4.4Å; R400-F461 HydrophobicContact CG-CB 4.11Å; R400-F461 HydrophobicContact CG-CD1 4.46Å; R400-F461 HydrophobicContact CG-CD2 4.41Å; R400-F461 HydrophobicContact CG-CG 4.05Å
401F96.8Very high97Very high2 Ų236.4 Ų36.41%0.00918%0.178CC..Hα-helixtrans-57.5-43.7174.4-89.8-116.4000111.7M387 A397 I398 Q403 I405 N406 L410 I438 A440 L458M387-F401 HydrophobicContact CB-CE2 3.99Å; M387-F401 HydrophobicContact CB-CZ 3.7Å; M387-F401 HydrophobicContact CG-CE2 3.94Å; M387-F401 HydrophobicContact CG-CZ 3.5Å; A397-F401 VanDerWaalsContact O-CD2 3.31Å; A397-F401 WeakPolarHBondContact O-CD2 3.26Å; A397-F401 PolarHBondContact O-N 2.89Å; I398-F401 PolarHBondContact O-N 3.24Å; F401-Q403 VanDerWaalsContact C-N 3.34Å; F401-Q403 PolarHBondContact O-N 3.43Å; F401-I405 HydrophobicContact CD1-CD1 3.73Å; F401-I405 HydrophobicContact CD1-CG1 4.39Å; F401-I405 HydrophobicContact CE1-CD1 4.24Å; F401-I405 HydrophobicContact CG-CD1 4.48Å; F401-I405 WeakPolarHBondContact O-CG1 3.47Å; F401-I405 PolarHBondContact O-N 3.22Å; F401-N406 PolarHBondContact O-N 2.69Å; F401-L410 HydrophobicContact CB-CD1 4.49Å; F401-L410 HydrophobicContact CD1-CD2 3.99Å; F401-I438 HydrophobicContact CD1-CG2 3.88Å; F401-I438 HydrophobicContact CD2-CG2 4.34Å; F401-I438 HydrophobicContact CE1-CB 4.33Å; F401-I438 HydrophobicContact CE1-CG2 3.69Å; F401-I438 HydrophobicContact CE2-CB 4.37Å; F401-I438 HydrophobicContact CE2-CG2 4.15Å; F401-I438 HydrophobicContact CG-CG2 4.21Å; F401-I438 HydrophobicContact CZ-CB 4.03Å; F401-I438 HydrophobicContact CZ-CG2 3.82Å; F401-A440 HydrophobicContact CD1-CB 3.9Å; F401-A440 HydrophobicContact CE1-CB 3.72Å; F401-L458 HydrophobicContact CD2-CD2 3.66Å; F401-L458 HydrophobicContact CE2-CD2 3.94Å; F401-L458 HydrophobicContact CG-CD2 4.21Å
402H96.6Very high97.1Very high55 Ų5535.4 Ų35.426%0.25517%0.173SC..Hα-helixtrans-62.8-40.5177.5-178.363.3000112.6L274 I398 T399 R400 N406 Y408L274-H402 HydrophobicContact CD1-CB 3.92Å; I398-H402 WeakPolarHBondContact O-CB 3.05Å; I398-H402 PolarHBondContact O-N 3.01Å; T399-H402 PolarHBondContact O-N 2.99Å; R400-H402 VanDerWaalsContact C-N 3.3Å; R400-H402 PolarHBondContact O-N 2.74Å; H402-N406 PolarHBondContact CE1-OD1 2.7Å; H402-N406 VanDerWaalsContact CE1-OD1 3.24Å; H402-N406 PolarHBondContact ND1-OD1 3.4Å; H402-N406 WeakPolarHBondContact O-CA 3.26Å; H402-N406 VanDerWaalsContact O-CB 3.29Å; H402-N406 WeakPolarHBondContact O-CB 3.37Å; H402-N406 PolarHBondContact O-N 3.05Å; H402-Y408 AromaticContact ND1-CE2 3.64Å; H402-Y408 AromaticContact ND1-CZ 4Å; H402-Y408 PolarHBondContact ND1-OH 2.94Å
403Q94.9Very high97.1Very high113 Ų11328.5 Ų28.553%0.52814%0.143SC..Hα-helixtrans-71.2-43.8179.4-72.1169.6-7.800112.9T399 R400 F401T399-Q403 VanDerWaalsContact O-CG 3.27Å; T399-Q403 WeakPolarHBondContact O-CG 3.08Å; T399-Q403 PolarHBondContact O-N 3Å; R400-Q403 PolarHBondContact O-N 2.8Å; F401-Q403 VanDerWaalsContact C-N 3.34Å; F401-Q403 PolarHBondContact O-N 3.43Å
404E94Very high97.1Very high35 Ų3525.7 Ų25.716%0.16413%0.13CC..Hα-helixtrans-85.7-35.9-170.8-63.7-58.9143.100113.3R400 Q457 L458R400-E404 HydrophobicContact CG-CG 4.21Å; R400-E404 IonicContact CZ-OE1 3.76Å; R400-E404 IonicContact NE-OE1 3.38Å; R400-E404 IonicContact NH1-OE1 3.91Å; R400-E404 PolarHBondContact NH1-OE1 2.88Å; R400-E404 IonicContact NH2-OE1 2.93Å; R400-E404 PolarHBondContact NH2-OE1 3.22Å; R400-E404 VanDerWaalsContact NH2-OE1 3.17Å; R400-E404 WeakPolarHBondContact O-CB 3.27Å; R400-E404 WeakPolarHBondContact O-CG 3.17Å; R400-E404 PolarHBondContact O-N 3.2Å; E404-Q457 HydrophobicContact CG-CB 4.11Å; E404-Q457 WeakPolarHBondContact OE2-CB 3.35Å; E404-L458 HydrophobicContact CB-CD2 4.17Å; E404-L458 HydrophobicContact CB-CG 4.17Å; E404-L458 HydrophobicContact CG-CD2 4.26Å; E404-L458 HydrophobicContact CG-CG 4.43Å
405I93.8Very high97.1Very high1 Ų125.6 Ų25.61%0.00513%0.129CC..THydrogen-bonded Turntrans-127.2-31.1-174.363.5169.4000113.7V383 F401 V407 A440 P444 K445 F449 L458V383-I405 HydrophobicContact CG1-CD1 3.94Å; V383-I405 HydrophobicContact CG2-CG2 4.22Å; F401-I405 HydrophobicContact CD1-CD1 3.73Å; F401-I405 HydrophobicContact CD1-CG1 4.39Å; F401-I405 HydrophobicContact CE1-CD1 4.24Å; F401-I405 HydrophobicContact CG-CD1 4.48Å; F401-I405 WeakPolarHBondContact O-CG1 3.47Å; F401-I405 PolarHBondContact O-N 3.22Å; I405-V407 HydrophobicContact CB-CG2 4.08Å; I405-V407 HydrophobicContact CD1-CB 4.1Å; I405-V407 HydrophobicContact CD1-CG2 4.12Å; I405-V407 HydrophobicContact CG1-CB 4.33Å; I405-V407 HydrophobicContact CG1-CG2 4.21Å; I405-V407 PolarHBondContact O-N 3.43Å; I405-A440 HydrophobicContact CD1-CB 3.58Å; I405-P444 VanDerWaalsContact O-CA 3.26Å; I405-P444 WeakPolarHBondContact O-CA 3.42Å; I405-P444 WeakPolarHBondContact O-CB 3.29Å; I405-K445 PolarHBondContact O-N 2.94Å; I405-F449 HydrophobicContact CG2-CE2 3.94Å; I405-L458 HydrophobicContact CD1-CD1 4.29Å; I405-L458 HydrophobicContact CG2-CD1 3.89Å
406N95.3Very high97Very high43 Ų4322.3 Ų22.323%0.2311%0.114CC..  trans47.543.8-177.5-161.29.2000113.5F401 H402 Y408 K445 V446F401-N406 PolarHBondContact O-N 2.69Å; H402-N406 PolarHBondContact CE1-OD1 2.7Å; H402-N406 VanDerWaalsContact CE1-OD1 3.24Å; H402-N406 PolarHBondContact ND1-OD1 3.4Å; H402-N406 WeakPolarHBondContact O-CA 3.26Å; H402-N406 VanDerWaalsContact O-CB 3.29Å; H402-N406 WeakPolarHBondContact O-CB 3.37Å; H402-N406 PolarHBondContact O-N 3.05Å; N406-Y408 WeakPolarHBondContact OD1-CE2 3.25Å; N406-K445 HydrophobicContact CB-CB 4.37Å; N406-V446 HydrophobicContact CB-CG1 3.64Å
407V94.6Very high96.9Very high4 Ų420 Ų202%0.02410%0.095CC..  trans-94.3133.1177.4173.70000108.8V383 I405 L410 A440 Y441 P444V383-V407 HydrophobicContact CB-CG2 4.44Å; I405-V407 HydrophobicContact CB-CG2 4.08Å; I405-V407 HydrophobicContact CD1-CB 4.1Å; I405-V407 HydrophobicContact CD1-CG2 4.12Å; I405-V407 HydrophobicContact CG1-CB 4.33Å; I405-V407 HydrophobicContact CG1-CG2 4.21Å; I405-V407 PolarHBondContact O-N 3.43Å; V407-L410 WeakPolarHBondContact O-CD2 3.49Å; V407-A440 HydrophobicContact CB-CB 4.48Å; V407-A440 HydrophobicContact CG1-CB 4.41Å; V407-Y441 WeakPolarHBondContact CG1-O 3.26Å; V407-P444 HydrophobicContact CG2-CB 4.29Å; V407-P444 HydrophobicContact CG2-CG 4.09Å
408Y96Very high96.8Very high32 Ų3222 Ų2213%0.12511%0.108CC..SBendtrans-142.8146.8173.7-71.5-74000110.5Q271 Y272 S273 L274 H402 N406 L410Q271-Y408 HydrophobicContact CG-CD1 4.47Å; Q271-Y408 HydrophobicContact CG-CE1 4.04Å; Q271-Y408 WeakPolarHBondContact O-CD1 3.09Å; Y272-Y408 WeakPolarHBondContact O-CB 2.98Å; S273-Y408 VanDerWaalsContact C-CE1 3.41Å; S273-Y408 VanDerWaalsContact C-CZ 3.44Å; L274-Y408 VanDerWaalsContact CA-OH 3.26Å; L274-Y408 WeakPolarHBondContact CA-OH 3.36Å; L274-Y408 PolarHBondContact N-OH 3.09Å; L274-Y408 VanDerWaalsContact N-OH 3.15Å; H402-Y408 AromaticContact ND1-CE2 3.64Å; H402-Y408 AromaticContact ND1-CZ 4Å; H402-Y408 PolarHBondContact ND1-OH 2.94Å; N406-Y408 WeakPolarHBondContact OD1-CE2 3.25Å; Y408-L410 HydrophobicContact CD1-CD1 4.34Å; Y408-L410 HydrophobicContact CD1-CG 3.92Å; Y408-L410 HydrophobicContact CE1-CD1 3.81Å; Y408-L410 HydrophobicContact CE1-CG 3.92Å
409P97.6Very high96.5Very high7 Ų724.9 Ų24.95%0.04513%0.127CC..SBendcis-75.1160.74.129.1-31.2000113.9I270 Q271 Y272 F305 W337I270-P409 HydrophobicContact CG2-CB 3.67Å; I270-P409 HydrophobicContact CG2-CG 4.33Å; Q271-P409 CarbonylContact O-C 3.57Å; Q271-P409 WeakPolarHBondContact O-CA 3.19Å; Q271-P409 VanDerWaalsContact O-CB 3.26Å; Q271-P409 WeakPolarHBondContact O-CB 3.27Å; Y272-P409 HydrophobicContact CD1-CB 4.04Å; Y272-P409 HydrophobicContact CE1-CB 4.27Å; F305-P409 HydrophobicContact CD2-CG 4.24Å; W337-P409 HydrophobicContact CD2-CG 3.48Å; W337-P409 VanDerWaalsContact CD2-CG 3.48Å; W337-P409 HydrophobicContact CE3-CG 3.68Å; W337-P409 HydrophobicContact CG-CG 3.94Å; W337-P409 HydrophobicContact CH2-CB 4.27Å; W337-P409 HydrophobicContact CH2-CG 4.01Å; W337-P409 HydrophobicContact CZ2-CB 4.33Å; W337-P409 HydrophobicContact CZ2-CG 3.89Å; W337-P409 WeakPolarHBondContact CZ2-O 3.49Å; W337-P409 HydrophobicContact CZ3-CB 4.46Å; W337-P409 HydrophobicContact CZ3-CG 3.94Å
410L98.4Very high96.1Very high1 Ų124.7 Ų24.71%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-101.2138167.7-59.6175000109.1Q271 I398 F401 V407 Y408 I438 G439 A440Q271-L410 HydrophobicContact CB-CB 4.27Å; Q271-L410 PolarHBondContact N-O 2.96Å; Q271-L410 PolarHBondContact O-N 3.25Å; I398-L410 HydrophobicContact CG2-CD1 4.48Å; F401-L410 HydrophobicContact CB-CD1 4.49Å; F401-L410 HydrophobicContact CD1-CD2 3.99Å; V407-L410 WeakPolarHBondContact O-CD2 3.49Å; Y408-L410 HydrophobicContact CD1-CD1 4.34Å; Y408-L410 HydrophobicContact CD1-CG 3.92Å; Y408-L410 HydrophobicContact CE1-CD1 3.81Å; Y408-L410 HydrophobicContact CE1-CG 3.92Å; L410-I438 HydrophobicContact CD1-CG2 4.32Å; L410-G439 CarbonylContact C-O 3.57Å; L410-G439 WeakPolarHBondContact CA-O 3.46Å; L410-A440 HydrophobicContact CD2-CB 3.68Å
411W98.4Very high95.6Very high5 Ų526.5 Ų26.52%0.01914%0.14CC..EExtended strand (participates in β ladder)trans-88.9124.6170.6-172.550.2000109.1E158 I173 E268 H331 F336 W337 C413 D437 I438 G439 Y441E158-W411 VanDerWaalsContact OE1-CH2 3.29Å; E158-W411 WeakPolarHBondContact OE1-CH2 3.4Å; E158-W411 WeakPolarHBondContact OE1-CZ2 3.35Å; I173-W411 HydrophobicContact CG2-CH2 3.82Å; I173-W411 HydrophobicContact CG2-CZ3 3.98Å; E268-W411 PolarHBondContact OE1-NE1 3.39Å; H331-W411 AromaticContact NE2-NE1 3.91Å; F336-W411 HydrophobicContact CD1-CG 4.41Å; F336-W411 AromaticContact CE1-CD2 3.72Å; F336-W411 HydrophobicContact CE1-CD2 3.72Å; F336-W411 AromaticContact CE1-CE2 3.74Å; F336-W411 HydrophobicContact CE1-CE3 4.16Å; F336-W411 AromaticContact CE1-CG 3.97Å; F336-W411 HydrophobicContact CE1-CG 3.97Å; F336-W411 HydrophobicContact CE1-CZ2 4.17Å; F336-W411 AromaticContact CE1-NE1 3.97Å; F336-W411 HydrophobicContact CZ-CD2 4.33Å; F336-W411 HydrophobicContact CZ-CE3 4.33Å; F336-W411 HydrophobicContact CZ-CH2 4.39Å; F336-W411 HydrophobicContact CZ-CZ2 4.43Å; F336-W411 HydrophobicContact CZ-CZ3 4.36Å; W337-W411 HydrophobicContact CH2-CB 3.69Å; W337-W411 HydrophobicContact CZ2-CB 4.36Å; W411-C413 HydrophobicContact CD2-CB 4.07Å; W411-C413 HydrophobicContact CE3-CB 4.15Å; W411-C413 HydrophobicContact CH2-CB 3.69Å; W411-C413 HydrophobicContact CZ2-CB 3.53Å; W411-C413 VanDerWaalsContact CZ2-SG 3.53Å; W411-C413 HydrophobicContact CZ3-CB 3.98Å; W411-D437 VanDerWaalsContact CZ3-OD2 3.27Å; W411-D437 WeakPolarHBondContact CZ3-OD2 3.44Å; W411-I438 CarbonylContact O-C 3.54Å; W411-I438 WeakPolarHBondContact O-CA 3.38Å; W411-G439 PolarHBondContact N-O 3.31Å; W411-G439 PolarHBondContact O-N 3.15Å; W411-Y441 HydrophobicContact CB-CE2 4.3Å
412L98.8Very high95.4Very high1 Ų126.9 Ų26.91%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-114.3113.9176.2-55.9179.9000108.8F255 G269 Q271 L394 I398 V436 D437 I438F255-L412 HydrophobicContact CE1-CB 4.07Å; F255-L412 HydrophobicContact CE2-CB 3.93Å; F255-L412 HydrophobicContact CZ-CB 3.63Å; F255-L412 WeakPolarHBondContact CZ-O 3.22Å; G269-L412 PolarHBondContact N-O 3.06Å; G269-L412 PolarHBondContact O-N 3.39Å; Q271-L412 HydrophobicContact CB-CD1 4.42Å; L394-L412 HydrophobicContact CD1-CD2 4.21Å; I398-L412 HydrophobicContact CD1-CD1 4.49Å; L412-V436 HydrophobicContact CB-CG2 4.35Å; L412-V436 HydrophobicContact CD2-CG2 4.48Å; L412-D437 WeakPolarHBondContact CA-O 3.39Å; L412-I438 HydrophobicContact CD2-CB 4.42Å; L412-I438 HydrophobicContact CD2-CG1 4.02Å; L412-I438 HydrophobicContact CD2-CG2 4.15Å
413C98.5Very high95.3Very high0 Ų024.5 Ų24.50%014%0.135CC..EExtended strand (participates in β ladder)trans-126.9112.6-177-165.80000110.5I173 E174 S175 W411 V436 D437I173-C413 HydrophobicContact CD1-CB 4.02Å; I173-C413 WeakPolarHBondContact CD1-O 3.39Å; E174-C413 PolarHBondContact O-SG 3.08Å; S175-C413 PolarHBondContact N-SG 3.08Å; W411-C413 HydrophobicContact CD2-CB 4.07Å; W411-C413 HydrophobicContact CE3-CB 4.15Å; W411-C413 HydrophobicContact CH2-CB 3.69Å; W411-C413 HydrophobicContact CZ2-CB 3.53Å; W411-C413 VanDerWaalsContact CZ2-SG 3.53Å; W411-C413 HydrophobicContact CZ3-CB 3.98Å; C413-V436 CarbonylContact O-C 3.55Å; C413-V436 WeakPolarHBondContact O-CA 3.29Å; C413-D437 HydrophobicContact CB-CB 4.15Å; C413-D437 PolarHBondContact N-O 2.99Å; C413-D437 PolarHBondContact O-N 2.86Å
414P98.5Very high95.3Very high0 Ų019.7 Ų19.70%011%0.113CC..EExtended strand (participates in β ladder)trans-82.3144.2-175.832.9-28.7000111.2S177 H178 F255 S259 V267 M391 Y435S177-P414 CarbonylContact C-O 3.57Å; H178-P414 HydrophobicContact CB-CB 3.93Å; H178-P414 HydrophobicContact CB-CG 3.94Å; H178-P414 PolarHBondContact N-O 2.92Å; F255-P414 HydrophobicContact CE1-CB 4.25Å; F255-P414 HydrophobicContact CE2-CG 4.41Å; F255-P414 HydrophobicContact CZ-CB 4.05Å; F255-P414 HydrophobicContact CZ-CG 3.93Å; S259-P414 VanDerWaalsContact OG-CB 3.25Å; S259-P414 WeakPolarHBondContact OG-CB 3.42Å; S259-P414 WeakPolarHBondContact OG-CG 3.35Å; V267-P414 HydrophobicContact CB-CG 3.77Å; V267-P414 HydrophobicContact CG1-CG 3.84Å; V267-P414 WeakPolarHBondContact O-CD 3.17Å; M391-P414 HydrophobicContact CE-CB 3.91Å; P414-Y435 WeakPolarHBondContact CA-O 3.32Å
415F98.2Very high95.3Very high0 Ų019 Ų190%011%0.11CC..EExtended strand (participates in β ladder)trans-144.3145.9174.269.5-78.2000113.4I173 S177 L182 L388 L417 Y435I173-F415 HydrophobicContact CD1-CB 3.7Å; I173-F415 HydrophobicContact CD1-CD1 3.24Å; I173-F415 HydrophobicContact CD1-CE1 4.05Å; I173-F415 HydrophobicContact CD1-CG 3.71Å; I173-F415 HydrophobicContact CG1-CB 3.91Å; I173-F415 HydrophobicContact CG1-CD1 4.29Å; I173-F415 HydrophobicContact CG1-CG 4.3Å; S177-F415 WeakPolarHBondContact O-CA 3.43Å; L182-F415 HydrophobicContact CD1-CD2 4.36Å; L182-F415 HydrophobicContact CD1-CE2 4.22Å; L182-F415 HydrophobicContact CD2-CB 4.3Å; L182-F415 HydrophobicContact CD2-CD2 3.65Å; L182-F415 HydrophobicContact CD2-CE2 4.06Å; L182-F415 HydrophobicContact CD2-CG 3.98Å; L182-F415 HydrophobicContact CG-CD2 3.89Å; L182-F415 HydrophobicContact CG-CE2 4.24Å; L388-F415 HydrophobicContact CB-CE1 3.99Å; L388-F415 HydrophobicContact CB-CZ 3.84Å; L388-F415 HydrophobicContact CD1-CE1 4.4Å; L388-F415 HydrophobicContact CD1-CZ 3.97Å; L388-F415 HydrophobicContact CD2-CE1 3.83Å; L388-F415 HydrophobicContact CD2-CZ 4.23Å; L388-F415 HydrophobicContact CG-CE1 4.29Å; L388-F415 HydrophobicContact CG-CZ 4.24Å; F415-L417 HydrophobicContact CD2-CB 4.41Å; F415-L417 HydrophobicContact CD2-CD1 4.46Å; F415-L417 HydrophobicContact CE2-CB 4.15Å; F415-L417 HydrophobicContact CE2-CD1 4.03Å; F415-L417 HydrophobicContact CE2-CG 4.45Å; F415-Y435 HydrophobicContact CE1-CG 4.28Å; F415-Y435 HydrophobicContact CE2-CG 4.08Å; F415-Y435 AromaticContact CZ-CD1 3.94Å; F415-Y435 HydrophobicContact CZ-CD1 3.94Å; F415-Y435 AromaticContact CZ-CG 3.75Å; F415-Y435 HydrophobicContact CZ-CG 3.75Å; F415-Y435 PolarHBondContact N-O 3.49Å; F415-Y435 PolarHBondContact O-N 2.86Å
416L96.8Very high95.2Very high21 Ų2119 Ų1911%0.1111%0.109CC..EExtended strand (participates in β ladder)trans-92.8123.4176.2-170.263.3000109.4S177 H178 G181 E432S177-L416 PolarHBondContact O-N 3.44Å; H178-L416 WeakPolarHBondContact O-CB 3.43Å; G181-L416 WeakPolarHBondContact CA-O 3.29Å; L416-E432 HydrophobicContact CD1-CB 3.96Å; L416-E432 HydrophobicContact CD1-CG 4Å; L416-E432 WeakPolarHBondContact CD2-OE2 2.85Å; L416-E432 HydrophobicContact CG-CB 4.21Å; L416-E432 HydrophobicContact CG-CG 4.48Å
417L96.4Very high94.8Very high0 Ų023.3 Ų23.30%013%0.126CC..EExtended strand (participates in β ladder)trans-104.6110.8178.7-162.463.8000109L182 F415 V424 P426 E432 E433 Y435 F468L182-L417 HydrophobicContact CD1-CD1 3.97Å; F415-L417 HydrophobicContact CD2-CB 4.41Å; F415-L417 HydrophobicContact CD2-CD1 4.46Å; F415-L417 HydrophobicContact CE2-CB 4.15Å; F415-L417 HydrophobicContact CE2-CD1 4.03Å; F415-L417 HydrophobicContact CE2-CG 4.45Å; L417-V424 HydrophobicContact CD1-CG1 3.87Å; L417-V424 HydrophobicContact CD2-CG1 3.85Å; L417-V424 HydrophobicContact CG-CG1 4.46Å; L417-P426 HydrophobicContact CB-CG 4.11Å; L417-P426 HydrophobicContact CD2-CG 4.22Å; L417-P426 HydrophobicContact CG-CG 4.15Å; L417-P426 WeakPolarHBondContact O-CG 3.47Å; L417-E432 WeakPolarHBondContact O-CA 3.17Å; L417-E433 PolarHBondContact N-O 3.37Å; L417-E433 PolarHBondContact O-N 3.07Å; L417-Y435 HydrophobicContact CB-CD2 3.93Å; L417-Y435 HydrophobicContact CB-CE2 4.16Å; L417-Y435 HydrophobicContact CD2-CD2 4.25Å; L417-Y435 HydrophobicContact CD2-CE2 3.9Å; L417-F468 HydrophobicContact CD2-CE2 3.82Å; L417-F468 HydrophobicContact CD2-CZ 4.32Å
418P94.7Very high93.9Very high42 Ų4225.7 Ų25.727%0.27315%0.147SC..  trans-76.8158.8177.833.3-34.1000110.8H185 P426H185-P418 WeakPolarHBondContact CE1-CD 3.47Å; P418-P426 WeakPolarHBondContact O-CD 3.34Å
419P92.7Very high92.9Very high61 Ų6129.6 Ų29.640%0.39617%0.166SC..  trans-60.1148.3167.229.2-35.5000110.1Q429P419-Q429 WeakPolarHBondContact CB-O 3.4Å
420G89.2Confident91.9Very high39 Ų3937.3 Ų37.340%0.40220%0.201SC..  trans-174.5178-175.600000112.8H425G420-H425 PolarHBondContact O-CD2 3.07Å
421R88.1Confident91.4Very high94 Ų9444.3 Ų44.336%0.35523%0.234SC..SBendtrans-115.81.7-177.562.9178.6174.2163.9-0.9114.3S208 D209 H212 L490S208-R421 PolarHBondContact O-NH2 3.4Å; S208-R421 PolarHBondContact OG-NH2 3.19Å; D209-R421 IonicContact OD1-CZ 2.82Å; D209-R421 IonicContact OD1-NH1 3.98Å; D209-R421 PolarHBondContact OD1-NH1 3.07Å; D209-R421 IonicContact OD1-NH2 3.53Å; H212-R421 HydrophobicContact CB-CG 3.71Å; H212-R421 PolarHBondContact CD2-NE 2.62Å; H212-R421 PolarHBondContact CD2-NH2 2.96Å; R421-L490 HydrophobicContact CB-CD2 4.42Å; R421-L490 HydrophobicContact CG-CD2 4.02Å; R421-L490 WeakPolarHBondContact O-CD2 3.13Å
422G92.8Very high91.1Very high11 Ų1148.9 Ų48.911%0.11326%0.255CS..SBendtrans-74.8-178.7172.100000111.6H212 V424 H425H212-G422 VanDerWaalsContact O-CA 3.23Å; H212-G422 WeakPolarHBondContact O-CA 3.47Å; G422-V424 PolarHBondContact O-N 3.23Å; G422-V424 VanDerWaalsContact O-N 3.11Å; G422-H425 PolarHBondContact O-CD2 3.23Å
423M94.8Very high91Very high5 Ų550.5 Ų50.53%0.02526%0.263CS..SBendtrans-60.3-25.2-178-72.917960.700114.6W216 F482 W483 F486 D487 Y491 V507W216-M423 HydrophobicContact CB-CB 4.23Å; W216-M423 HydrophobicContact CB-CE 4.38Å; W216-M423 HydrophobicContact CB-SD 3.96Å; M423-F482 HydrophobicContact CE-CE1 4.46Å; M423-F482 HydrophobicContact CE-CZ 4.2Å; M423-W483 HydrophobicContact CE-CH2 3.95Å; M423-W483 HydrophobicContact CE-CZ3 3.82Å; M423-F486 HydrophobicContact CB-CB 4.32Å; M423-F486 HydrophobicContact CB-CD1 4.19Å; M423-F486 HydrophobicContact CE-CB 3.9Å; M423-F486 HydrophobicContact CE-CD1 4.06Å; M423-F486 HydrophobicContact CE-CD2 4.22Å; M423-F486 HydrophobicContact CE-CG 3.81Å; M423-F486 WeakPolarHBondContact O-CA 3.48Å; M423-D487 WeakPolarHBondContact CA-O 3.44Å; M423-D487 PolarHBondContact O-N 2.65Å; M423-Y491 HydrophobicContact SD-CD2 4.21Å; M423-Y491 HydrophobicContact SD-CG 4.31Å; M423-V507 HydrophobicContact CE-CG1 4.23Å
424V94.8Very high91Very high12 Ų1252.3 Ų52.37%0.07327%0.272CS..  trans-123.4118.6-174.3177.20000109W216 L417 G422 F468 F486W216-V424 HydrophobicContact CD2-CG2 3.63Å; W216-V424 HydrophobicContact CE3-CG2 4.15Å; W216-V424 HydrophobicContact CG-CG2 3.87Å; W216-V424 HydrophobicContact CH2-CG2 4.46Å; W216-V424 HydrophobicContact CZ2-CG2 3.98Å; L417-V424 HydrophobicContact CD1-CG1 3.87Å; L417-V424 HydrophobicContact CD2-CG1 3.85Å; L417-V424 HydrophobicContact CG-CG1 4.46Å; G422-V424 PolarHBondContact O-N 3.23Å; G422-V424 VanDerWaalsContact O-N 3.11Å; V424-F468 HydrophobicContact CB-CD1 4.48Å; V424-F468 HydrophobicContact CB-CE1 4.18Å; V424-F468 HydrophobicContact CB-CZ 4.42Å; V424-F468 HydrophobicContact CG1-CD1 4.13Å; V424-F468 HydrophobicContact CG1-CD2 4Å; V424-F468 HydrophobicContact CG1-CE1 3.88Å; V424-F468 HydrophobicContact CG1-CE2 3.79Å; V424-F468 HydrophobicContact CG1-CG 4.19Å; V424-F468 HydrophobicContact CG1-CZ 3.74Å; V424-F468 HydrophobicContact CG2-CD1 3.89Å; V424-F468 HydrophobicContact CG2-CE1 4Å; V424-F468 HydrophobicContact CG2-CG 4.42Å; V424-F486 HydrophobicContact CG2-CD1 3.57Å; V424-F486 HydrophobicContact CG2-CE1 3.53Å
425H93.5Very high91Very high21 Ų2152.3 Ų52.310%0.09727%0.273CS..  trans-157.1161.5173.260.172.7000109.1G420 G422 F468 D487G420-H425 PolarHBondContact O-CD2 3.07Å; G422-H425 PolarHBondContact O-CD2 3.23Å; H425-F468 WeakPolarHBondContact O-CZ 3.4Å; H425-D487 VanDerWaalsContact NE2-CB 3.34Å; H425-D487 WeakPolarHBondContact NE2-CB 3.48Å; H425-D487 IonicContact NE2-OD2 2.75Å; H425-D487 PolarHBondContact NE2-OD2 2.9Å
426P92.1Very high91Very high0 Ų052.3 Ų52.30%027%0.273CS..  trans-58.9149.9174.8-22.635.3000111.2L417 P418 A428 E433L417-P426 HydrophobicContact CB-CG 4.11Å; L417-P426 HydrophobicContact CD2-CG 4.22Å; L417-P426 HydrophobicContact CG-CG 4.15Å; L417-P426 WeakPolarHBondContact O-CG 3.47Å; P418-P426 WeakPolarHBondContact O-CD 3.34Å; P426-A428 VanDerWaalsContact C-N 3.3Å; P426-A428 PolarHBondContact O-N 2.93Å; P426-E433 HydrophobicContact CB-CB 3.93Å; P426-E433 HydrophobicContact CG-CB 4.01Å
427K85.9Confident91.1Very high133 Ų13351.3 Ų51.358%0.57827%0.267SS*.SBendtrans-63.2-40.3175.9-176.8174.8-176.7-171.60111.6Q429 H466K427-Q429 VanDerWaalsContact C-N 3.32Å; K427-Q429 PolarHBondContact O-N 3.07Å; K427-H466 HydrophobicContact CB-CB 4.33Å; K427-H466 HydrophobicContact CD-CB 4.33Å; K427-H466 WeakPolarHBondContact CD-CD2 3.21Å; K427-H466 WeakPolarHBondContact CD-NE2 3.34Å; K427-H466 PolarHBondContact NZ-CE1 3.38Å; K427-H466 PolarHBondContact NZ-NE2 3.25Å
428A76.6Confident91.2Very high55 Ų5551.3 Ų51.346%0.45527%0.267SS..SBendtrans-76.587.3169.400000108P426 Q430 E431P426-A428 VanDerWaalsContact C-N 3.3Å; P426-A428 PolarHBondContact O-N 2.93Å; A428-Q430 PolarHBondContact O-N 3.33Å; A428-E431 PolarHBondContact O-N 3.26Å
429Q74.8Confident91.3Very high113 Ų11349.3 Ų49.353%0.52825%0.254SS..THydrogen-bonded Turntrans-60.4-1.2-173.3-68.4-178.8-11.600115.1P419 K427P419-Q429 WeakPolarHBondContact CB-O 3.4Å; K427-Q429 VanDerWaalsContact C-N 3.32Å; K427-Q429 PolarHBondContact O-N 3.07Å
430Q76.6Confident91.4Very high169 Ų16946.4 Ų46.479%0.7924%0.235SC*.THydrogen-bonded Turntrans-97.3-20-176.6-63.3107.6-4.100114.7A428A428-Q430 PolarHBondContact O-N 3.33Å
431E87.6Confident91.6Very high148 Ų14845 Ų4569%0.69222%0.218SC*.SBendtrans-133.9154.4-173-66.6-175.6-179.100111.9A428A428-E431 PolarHBondContact O-N 3.26Å
432E92.9Very high91.7Very high101 Ų10140.7 Ų40.747%0.47220%0.203SC..  trans-69.1137.9168.560.9-176.4-156.100110K262 L416 L417K262-E432 IonicContact NZ-OE1 3.21Å; K262-E432 PolarHBondContact NZ-OE1 3.37Å; L416-E432 HydrophobicContact CD1-CB 3.96Å; L416-E432 HydrophobicContact CD1-CG 4Å; L416-E432 WeakPolarHBondContact CD2-OE2 2.85Å; L416-E432 HydrophobicContact CG-CB 4.21Å; L416-E432 HydrophobicContact CG-CG 4.48Å; L417-E432 WeakPolarHBondContact O-CA 3.17Å
433E96Very high91.5Very high36 Ų3646.1 Ų46.117%0.16823%0.225CC..EExtended strand (participates in β ladder)trans-124.8137.1178.7-178.2169.7-156.600110K392 L417 P426 Y435K392-E433 WeakPolarHBondContact CE-OE1 3.31Å; K392-E433 IonicContact NZ-OE1 2.94Å; K392-E433 PolarHBondContact NZ-OE1 3Å; L417-E433 PolarHBondContact N-O 3.37Å; L417-E433 PolarHBondContact O-N 3.07Å; P426-E433 HydrophobicContact CB-CB 3.93Å; P426-E433 HydrophobicContact CG-CB 4.01Å; E433-Y435 HydrophobicContact CB-CD2 4.28Å; E433-Y435 HydrophobicContact CB-CE2 3.86Å; E433-Y435 HydrophobicContact CG-CD2 4.05Å; E433-Y435 HydrophobicContact CG-CE2 3.69Å; E433-Y435 WeakPolarHBondContact O-CD2 3.26Å
434L97.4Very high91.2Very high37 Ų3747 Ų4719%0.19423%0.231CC..EExtended strand (participates in β ladder)trans-82.2125.5177-172.369.3000109.6H178 M391H178-L434 HydrophobicContact CB-CD1 4.12Å; M391-L434 HydrophobicContact CB-CB 4.26Å; M391-L434 HydrophobicContact CB-CD2 4.19Å; M391-L434 HydrophobicContact CB-CG 4.11Å; M391-L434 VanDerWaalsContact CB-O 3.22Å; M391-L434 WeakPolarHBondContact CB-O 3.42Å; M391-L434 HydrophobicContact CE-CD2 3.81Å; M391-L434 HydrophobicContact CE-CG 3.97Å; M391-L434 HydrophobicContact CG-CD2 4.03Å; M391-L434 HydrophobicContact CG-CG 4.44Å; M391-L434 PolarHBondContact N-O 3.43Å
435Y98.4Very high90.9Very high1 Ų153.3 Ų53.30%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-116170.1175.7-79.3-116.9000110.2V389 P390 P414 F415 L417 E433 H466 F468V389-Y435 CarbonylContact O-C 3.57Å; V389-Y435 VanDerWaalsContact O-CA 3.28Å; V389-Y435 WeakPolarHBondContact O-CA 3.13Å; V389-Y435 WeakPolarHBondContact O-CB 3.08Å; V389-Y435 WeakPolarHBondContact O-CD1 3.25Å; P390-Y435 HydrophobicContact CB-CE1 4.36Å; P390-Y435 HydrophobicContact CG-CD1 4.19Å; P390-Y435 HydrophobicContact CG-CE1 3.62Å; P390-Y435 HydrophobicContact CG-CE2 4.39Å; P414-Y435 WeakPolarHBondContact CA-O 3.32Å; F415-Y435 HydrophobicContact CE1-CG 4.28Å; F415-Y435 HydrophobicContact CE2-CG 4.08Å; F415-Y435 AromaticContact CZ-CD1 3.94Å; F415-Y435 HydrophobicContact CZ-CD1 3.94Å; F415-Y435 AromaticContact CZ-CG 3.75Å; F415-Y435 HydrophobicContact CZ-CG 3.75Å; F415-Y435 PolarHBondContact N-O 3.49Å; F415-Y435 PolarHBondContact O-N 2.86Å; L417-Y435 HydrophobicContact CB-CD2 3.93Å; L417-Y435 HydrophobicContact CB-CE2 4.16Å; L417-Y435 HydrophobicContact CD2-CD2 4.25Å; L417-Y435 HydrophobicContact CD2-CE2 3.9Å; E433-Y435 HydrophobicContact CB-CD2 4.28Å; E433-Y435 HydrophobicContact CB-CE2 3.86Å; E433-Y435 HydrophobicContact CG-CD2 4.05Å; E433-Y435 HydrophobicContact CG-CE2 3.69Å; E433-Y435 WeakPolarHBondContact O-CD2 3.26Å; Y435-H466 PolarHBondContact OH-O 3.44Å; Y435-F468 HydrophobicContact CE1-CD2 4.05Å; Y435-F468 AromaticContact CE1-CE2 3.74Å; Y435-F468 HydrophobicContact CE1-CE2 3.74Å
436V98.6Very high90.6Very high0 Ų054.1 Ų54.10%026%0.264CS..EExtended strand (participates in β ladder)trans-137.1133174.452.80000109.1F255 L388 V389 M391 L394 L412 C413 I438F255-V436 HydrophobicContact CE1-CB 4.23Å; F255-V436 HydrophobicContact CE1-CG2 3.6Å; F255-V436 HydrophobicContact CZ-CG2 4.14Å; L388-V436 WeakPolarHBondContact CA-O 3.48Å; V389-V436 HydrophobicContact CG2-CG1 3.64Å; V389-V436 PolarHBondContact N-O 3.22Å; V389-V436 PolarHBondContact O-N 2.99Å; M391-V436 HydrophobicContact CE-CB 3.89Å; M391-V436 HydrophobicContact CE-CG1 4.47Å; M391-V436 HydrophobicContact SD-CB 4.23Å; M391-V436 HydrophobicContact SD-CG1 4.21Å; L394-V436 HydrophobicContact CB-CG1 4.21Å; L394-V436 HydrophobicContact CD1-CG1 3.84Å; L394-V436 HydrophobicContact CD1-CG2 4.24Å; L394-V436 HydrophobicContact CG-CG1 4.42Å; L412-V436 HydrophobicContact CB-CG2 4.35Å; L412-V436 HydrophobicContact CD2-CG2 4.48Å; C413-V436 CarbonylContact O-C 3.55Å; C413-V436 WeakPolarHBondContact O-CA 3.29Å; V436-I438 HydrophobicContact CG2-CG1 4.35Å
437D98.4Very high89.9Confident0 Ų063.7 Ų63.70%031%0.306CS..EExtended strand (participates in β ladder)trans-81.8130.4163.3-172.314000110.2I173 D386 L388 W411 L412 C413 M470I173-D437 HydrophobicContact CD1-CB 3.65Å; I173-D437 HydrophobicContact CG2-CB 4.49Å; D386-D437 VanDerWaalsContact CB-OD1 3.29Å; D386-D437 WeakPolarHBondContact CB-OD1 3.44Å; L388-D437 HydrophobicContact CD2-CB 3.46Å; L388-D437 VanDerWaalsContact CD2-CB 3.46Å; L388-D437 VanDerWaalsContact CD2-CG 3.46Å; L388-D437 WeakPolarHBondContact CD2-OD1 3.45Å; W411-D437 VanDerWaalsContact CZ3-OD2 3.27Å; W411-D437 WeakPolarHBondContact CZ3-OD2 3.44Å; L412-D437 WeakPolarHBondContact CA-O 3.39Å; C413-D437 HydrophobicContact CB-CB 4.15Å; C413-D437 PolarHBondContact N-O 2.99Å; C413-D437 PolarHBondContact O-N 2.86Å; D437-M470 WeakPolarHBondContact OD2-CE 3.49Å
438I98.5Very high89.5Confident0 Ų065.7 Ų65.70%032%0.317CS..EExtended strand (participates in β ladder)trans-113.393.8174.7-52.9175.6000107.5M387 V389 L394 A397 F401 L410 W411 L412 V436M387-I438 PolarHBondContact N-O 2.89Å; M387-I438 PolarHBondContact O-N 3.44Å; V389-I438 HydrophobicContact CG2-CD1 3.76Å; V389-I438 HydrophobicContact CG2-CG1 4.36Å; L394-I438 HydrophobicContact CD1-CD1 3.91Å; L394-I438 HydrophobicContact CD1-CG1 4.27Å; A397-I438 HydrophobicContact CB-CD1 3.42Å; A397-I438 VanDerWaalsContact CB-CD1 3.42Å; F401-I438 HydrophobicContact CD1-CG2 3.88Å; F401-I438 HydrophobicContact CD2-CG2 4.34Å; F401-I438 HydrophobicContact CE1-CB 4.33Å; F401-I438 HydrophobicContact CE1-CG2 3.69Å; F401-I438 HydrophobicContact CE2-CB 4.37Å; F401-I438 HydrophobicContact CE2-CG2 4.15Å; F401-I438 HydrophobicContact CG-CG2 4.21Å; F401-I438 HydrophobicContact CZ-CB 4.03Å; F401-I438 HydrophobicContact CZ-CG2 3.82Å; L410-I438 HydrophobicContact CD1-CG2 4.32Å; W411-I438 CarbonylContact O-C 3.54Å; W411-I438 WeakPolarHBondContact O-CA 3.38Å; L412-I438 HydrophobicContact CD2-CB 4.42Å; L412-I438 HydrophobicContact CD2-CG1 4.02Å; L412-I438 HydrophobicContact CD2-CG2 4.15Å; V436-I438 HydrophobicContact CG2-CG1 4.35Å
439G97.1Very high89.9Confident0 Ų065 Ų650%030%0.304CS..EExtended strand (participates in β ladder)trans-84.8121.2177.500000111.9Q385 D386 L410 W411Q385-G439 CarbonylContact O-C 3.56Å; Q385-G439 WeakPolarHBondContact O-CA 3.5Å; D386-G439 WeakPolarHBondContact OD1-CA 3.49Å; L410-G439 CarbonylContact C-O 3.57Å; L410-G439 WeakPolarHBondContact CA-O 3.46Å; W411-G439 PolarHBondContact N-O 3.31Å; W411-G439 PolarHBondContact O-N 3.15Å
440A95.7Very high90.4Very high0 Ų064.9 Ų64.90%030%0.303CS..EExtended strand (participates in β ladder)trans-120.5116.3175.200000110.2V383 V384 Q385 F401 I405 V407 L410V383-A440 HydrophobicContact CG1-CB 4.42Å; V384-A440 WeakPolarHBondContact CA-O 3.33Å; Q385-A440 PolarHBondContact N-O 3.48Å; Q385-A440 PolarHBondContact O-N 3.33Å; F401-A440 HydrophobicContact CD1-CB 3.9Å; F401-A440 HydrophobicContact CE1-CB 3.72Å; I405-A440 HydrophobicContact CD1-CB 3.58Å; V407-A440 HydrophobicContact CB-CB 4.48Å; V407-A440 HydrophobicContact CG1-CB 4.41Å; L410-A440 HydrophobicContact CD2-CB 3.68Å
441Y93.1Very high90.8Very high9 Ų957.5 Ų57.54%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-130.3121.6-179.4-32.5-62000109.4F336 W337 E338 V383 V384 D386 V407 W411 Y472F336-Y441 HydrophobicContact CB-CD2 4.07Å; F336-Y441 HydrophobicContact CB-CE2 4.21Å; F336-Y441 HydrophobicContact CD1-CE2 4.04Å; F336-Y441 HydrophobicContact CD2-CE2 4.06Å; F336-Y441 HydrophobicContact CE1-CE2 4.35Å; F336-Y441 HydrophobicContact CE2-CE2 4.37Å; F336-Y441 HydrophobicContact CG-CD2 4.21Å; F336-Y441 AromaticContact CG-CE2 3.86Å; F336-Y441 HydrophobicContact CG-CE2 3.86Å; F336-Y441 HydrophobicContact CZ-CE2 4.47Å; W337-Y441 AromaticContact CE2-CD2 3.63Å; W337-Y441 HydrophobicContact CH2-CD2 4.33Å; W337-Y441 HydrophobicContact CH2-CE2 4.44Å; W337-Y441 AromaticContact CZ2-CD2 3.52Å; W337-Y441 HydrophobicContact CZ2-CD2 3.52Å; W337-Y441 AromaticContact CZ2-CE2 3.99Å; W337-Y441 HydrophobicContact CZ2-CE2 3.99Å; W337-Y441 AromaticContact NE1-CD2 3.79Å; W337-Y441 PolarHBondContact NE1-O 3.08Å; E338-Y441 VanDerWaalsContact OE1-C 3.3Å; E338-Y441 WeakPolarHBondContact OE1-CB 3.35Å; V383-Y441 VanDerWaalsContact O-CA 3.27Å; V383-Y441 WeakPolarHBondContact O-CA 3.11Å; V384-Y441 HydrophobicContact CG1-CD1 3.98Å; V384-Y441 HydrophobicContact CG1-CE1 4.39Å; D386-Y441 PolarHBondContact OD1-OH 3.05Å; D386-Y441 WeakPolarHBondContact OD2-CE1 3.06Å; D386-Y441 PolarHBondContact OD2-OH 2.93Å; V407-Y441 WeakPolarHBondContact CG1-O 3.26Å; W411-Y441 HydrophobicContact CB-CE2 4.3Å; Y441-Y472 WeakPolarHBondContact CE1-OH 3.42Å
442G90.4Very high90.9Very high4 Ų455.8 Ų55.84%0.04126%0.261CS..EExtended strand (participates in β ladder)trans143.3-177.4178.200000114.7E338 H382 V383 P444E338-G442 PolarHBondContact OE1-N 2.92Å; H382-G442 WeakPolarHBondContact CE1-CA 3.42Å; V383-G442 PolarHBondContact N-O 2.9Å; V383-G442 PolarHBondContact O-N 2.96Å; G442-P444 WeakPolarHBondContact O-CD 3.39Å
443E88.6Confident90.9Very high124 Ų12453.9 Ų53.958%0.57926%0.256SS*.  trans-77.3124.2176-63.4-176.1175.600111.9H381H381-E443 WeakPolarHBondContact O-CA 3.43Å
444P89.3Confident90.7Very high23 Ų2352.5 Ų52.515%0.14925%0.251CS..  trans-62.2142.4174.2-27.339.9000112.9H381 V383 I405 V407 G442 F449H381-P444 WeakPolarHBondContact O-CD 3.32Å; V383-P444 HydrophobicContact CB-CG 4.29Å; V383-P444 HydrophobicContact CG2-CG 3.41Å; V383-P444 VanDerWaalsContact CG2-CG 3.41Å; I405-P444 VanDerWaalsContact O-CA 3.26Å; I405-P444 WeakPolarHBondContact O-CA 3.42Å; I405-P444 WeakPolarHBondContact O-CB 3.29Å; V407-P444 HydrophobicContact CG2-CB 4.29Å; V407-P444 HydrophobicContact CG2-CG 4.09Å; G442-P444 WeakPolarHBondContact O-CD 3.39Å; P444-F449 HydrophobicContact CB-CB 4.16Å; P444-F449 HydrophobicContact CB-CD1 4.02Å; P444-F449 HydrophobicContact CB-CD2 3.69Å; P444-F449 HydrophobicContact CB-CE1 4.34Å; P444-F449 HydrophobicContact CB-CE2 4.04Å; P444-F449 HydrophobicContact CB-CG 3.67Å; P444-F449 HydrophobicContact CB-CZ 4.34Å; P444-F449 HydrophobicContact CG-CD1 3.83Å; P444-F449 HydrophobicContact CG-CD2 3.88Å; P444-F449 HydrophobicContact CG-CE1 3.66Å; P444-F449 HydrophobicContact CG-CE2 3.72Å; P444-F449 HydrophobicContact CG-CG 3.92Å; P444-F449 HydrophobicContact CG-CZ 3.6Å
445K87.7Confident90.4Very high146 Ų14651 Ų5164%0.63524%0.243SC*.  trans-108.67.7-177-62.5179.6-176.8170.70113.9I405 N406I405-K445 PolarHBondContact O-N 2.94Å; N406-K445 HydrophobicContact CB-CB 4.37Å
446V86.5Confident90.3Very high38 Ų3854.5 Ų54.523%0.2326%0.257CS..  trans-80.1139.6177.6-600000110.7N406 H448 F449N406-V446 HydrophobicContact CB-CG1 3.64Å; V446-H448 PolarHBondContact O-N 2.59Å; V446-F449 HydrophobicContact CG2-CB 3.57Å; V446-F449 HydrophobicContact CG2-CD2 4.01Å; V446-F449 HydrophobicContact CG2-CG 4.25Å; V446-F449 PolarHBondContact O-N 2.55Å
447K76.9Confident90.1Very high201 Ų20157.9 Ų57.987%0.87427%0.272SS*.THydrogen-bonded Turntrans-61.8-26.8-171.7-72.8-176.9177.5179.10114.8
448H78.3Confident90Very high174 Ų17457.9 Ų57.981%0.80627%0.272SS*.THydrogen-bonded Turntrans-128.245.3-176.2-58.5-57.9000110.8V446 E450V446-H448 PolarHBondContact O-N 2.59Å; H448-E450 PolarHBondContact O-N 2.93Å
449F84.1Confident89.9Confident41 Ų4157.9 Ų57.918%0.1827%0.272CS..  trans-61.4124.2177-178.4-112.7000110.4Q380 V383 I405 P444 V446 A451 S454Q380-F449 WeakPolarHBondContact O-CD1 3.43Å; Q380-F449 VanDerWaalsContact O-CE1 3.25Å; Q380-F449 WeakPolarHBondContact O-CE1 3.43Å; V383-F449 HydrophobicContact CG2-CE1 4.41Å; V383-F449 HydrophobicContact CG2-CE2 4.03Å; V383-F449 HydrophobicContact CG2-CZ 3.55Å; I405-F449 HydrophobicContact CG2-CE2 3.94Å; P444-F449 HydrophobicContact CB-CB 4.16Å; P444-F449 HydrophobicContact CB-CD1 4.02Å; P444-F449 HydrophobicContact CB-CD2 3.69Å; P444-F449 HydrophobicContact CB-CE1 4.34Å; P444-F449 HydrophobicContact CB-CE2 4.04Å; P444-F449 HydrophobicContact CB-CG 3.67Å; P444-F449 HydrophobicContact CB-CZ 4.34Å; P444-F449 HydrophobicContact CG-CD1 3.83Å; P444-F449 HydrophobicContact CG-CD2 3.88Å; P444-F449 HydrophobicContact CG-CE1 3.66Å; P444-F449 HydrophobicContact CG-CE2 3.72Å; P444-F449 HydrophobicContact CG-CG 3.92Å; P444-F449 HydrophobicContact CG-CZ 3.6Å; V446-F449 HydrophobicContact CG2-CB 3.57Å; V446-F449 HydrophobicContact CG2-CD2 4.01Å; V446-F449 HydrophobicContact CG2-CG 4.25Å; V446-F449 PolarHBondContact O-N 2.55Å; F449-A451 HydrophobicContact CE1-CB 3.8Å; F449-A451 VanDerWaalsContact CZ-CA 3.44Å; F449-A451 HydrophobicContact CZ-CB 3.94Å; F449-S454 WeakPolarHBondContact CD2-OG 3.45Å
450E86.4Confident90Very high111 Ų11162.3 Ų62.352%0.51929%0.291SS..  trans-122.8114.6165.7-171.5-168.2168.900108.1H448 K452 T453 S454H448-E450 PolarHBondContact O-N 2.93Å; E450-K452 VanDerWaalsContact C-N 3.32Å; E450-K452 PolarHBondContact O-N 3.11Å; E450-T453 PolarHBondContact O-N 2.68Å; E450-T453 PolarHBondContact OE1-OG1 2.86Å; E450-T453 WeakPolarHBondContact OE2-CB 3.5Å; E450-T453 PolarHBondContact OE2-OG1 3.14Å; E450-S454 PolarHBondContact N-OG 3.14Å; E450-S454 WeakPolarHBondContact O-CB 3.16Å; E450-S454 PolarHBondContact O-N 2.7Å; E450-S454 PolarHBondContact O-OG 2.81Å
451A85.5Confident90.1Very high13 Ų1363.7 Ų63.711%0.10730%0.298CS..Hα-helixtrans-52.4-46.9-171.100000113.4E379 F449 T455E379-A451 WeakPolarHBondContact O-CB 3.3Å; F449-A451 HydrophobicContact CE1-CB 3.8Å; F449-A451 VanDerWaalsContact CZ-CA 3.44Å; F449-A451 HydrophobicContact CZ-CB 3.94Å; A451-T455 WeakPolarHBondContact O-CB 3.39Å; A451-T455 PolarHBondContact O-N 2.92Å; A451-T455 VanDerWaalsContact O-N 3.07Å; A451-T455 PolarHBondContact O-OG1 3.4Å
452K89.6Confident90.3Very high112 Ų11263.3 Ų63.349%0.48730%0.296SS..Hα-helixtrans-65.7-53.5179.3179.1174.3-178.2-1710111.7E450 T455 R456 Y476E450-K452 VanDerWaalsContact C-N 3.32Å; E450-K452 PolarHBondContact O-N 3.11Å; K452-T455 PolarHBondContact O-N 3.13Å; K452-R456 WeakPolarHBondContact O-CB 3.25Å; K452-R456 WeakPolarHBondContact O-CG 3.21Å; K452-R456 PolarHBondContact O-N 3.35Å; K452-Y476 HydrophobicContact CB-CD1 3.96Å; K452-Y476 HydrophobicContact CB-CE1 3.77Å; K452-Y476 HydrophobicContact CD-CD1 4.1Å; K452-Y476 HydrophobicContact CD-CE1 4.36Å; K452-Y476 HydrophobicContact CG-CD1 3.57Å; K452-Y476 HydrophobicContact CG-CE1 3.89Å; K452-Y476 HydrophobicContact CG-CG 4.13Å
453T91.6Very high90.6Very high61 Ų6164.3 Ų64.337%0.37430%0.299SS..Hα-helixtrans-63.3-49.3-175.2-58.90000111.1E450 T455 R456 Q457E450-T453 PolarHBondContact O-N 2.68Å; E450-T453 PolarHBondContact OE1-OG1 2.86Å; E450-T453 WeakPolarHBondContact OE2-CB 3.5Å; E450-T453 PolarHBondContact OE2-OG1 3.14Å; T453-T455 PolarHBondContact O-N 3.07Å; T453-R456 PolarHBondContact O-N 2.9Å; T453-Q457 WeakPolarHBondContact O-CG 3.43Å; T453-Q457 PolarHBondContact O-N 2.98Å
454S92Very high91Very high8 Ų862.8 Ų62.86%0.05629%0.294CS..Hα-helixtrans-63.9-41.2-179.3-38.20000111.5F449 E450 Q457 L458F449-S454 WeakPolarHBondContact CD2-OG 3.45Å; E450-S454 PolarHBondContact N-OG 3.14Å; E450-S454 WeakPolarHBondContact O-CB 3.16Å; E450-S454 PolarHBondContact O-N 2.7Å; E450-S454 PolarHBondContact O-OG 2.81Å; S454-Q457 WeakPolarHBondContact O-CB 3.36Å; S454-Q457 PolarHBondContact O-N 3.37Å; S454-L458 PolarHBondContact O-N 3.32Å; S454-L458 VanDerWaalsContact O-N 3.14Å
455T92.5Very high91.4Very high5 Ų562.4 Ų62.43%0.03129%0.292CS..Hα-helixtrans-65-43.5175.5-55.90000111.2A451 K452 T453 Q457 L458 E459 Y476A451-T455 WeakPolarHBondContact O-CB 3.39Å; A451-T455 PolarHBondContact O-N 2.92Å; A451-T455 VanDerWaalsContact O-N 3.07Å; A451-T455 PolarHBondContact O-OG1 3.4Å; K452-T455 PolarHBondContact O-N 3.13Å; T453-T455 PolarHBondContact O-N 3.07Å; T455-Q457 PolarHBondContact O-N 3.13Å; T455-L458 WeakPolarHBondContact O-CB 3.08Å; T455-L458 PolarHBondContact O-N 3.41Å; T455-L458 VanDerWaalsContact O-N 3.09Å; T455-E459 HydrophobicContact CG2-CG 4.09Å; T455-E459 WeakPolarHBondContact O-CB 3.41Å; T455-E459 VanDerWaalsContact O-CG 3.3Å; T455-E459 WeakPolarHBondContact O-CG 3.25Å; T455-E459 PolarHBondContact O-N 3.48Å; T455-Y476 HydrophobicContact CG2-CD2 3.71Å; T455-Y476 HydrophobicContact CG2-CE2 4.28Å
456R94.9Very high91.8Very high75 Ų7559.3 Ų59.328%0.28328%0.28SS..Hα-helixtrans-60.9-34.1176.4-75.9-175.463.372.810112.8K452 T453 E459 K460 Y476 E481K452-R456 WeakPolarHBondContact O-CB 3.25Å; K452-R456 WeakPolarHBondContact O-CG 3.21Å; K452-R456 PolarHBondContact O-N 3.35Å; T453-R456 PolarHBondContact O-N 2.9Å; R456-E459 WeakPolarHBondContact CA-OE2 3.44Å; R456-K460 VanDerWaalsContact O-CB 3.31Å; R456-K460 WeakPolarHBondContact O-CB 3.37Å; R456-K460 PolarHBondContact O-N 3.26Å; R456-Y476 PolarHBondContact NH1-O 3.04Å; R456-E481 IonicContact CZ-OE1 3.05Å; R456-E481 IonicContact CZ-OE2 2.62Å; R456-E481 IonicContact NH1-OE1 2.71Å; R456-E481 IonicContact NH1-OE2 3.5Å; R456-E481 PolarHBondContact NH1-OE2 3.26Å; R456-E481 IonicContact NH2-OE1 2.87Å; R456-E481 PolarHBondContact NH2-OE1 3.12Å; R456-E481 IonicContact NH2-OE2 3.44Å; R456-E481 PolarHBondContact NH2-OE2 2.99Å
457Q95.5Very high92.3Very high70 Ų7057.5 Ų57.533%0.32727%0.269SS..Hα-helixtrans-66.1-39174.3-72-55.5-23.900112.6E404 T453 S454 T455 F461E404-Q457 HydrophobicContact CG-CB 4.11Å; E404-Q457 WeakPolarHBondContact OE2-CB 3.35Å; T453-Q457 WeakPolarHBondContact O-CG 3.43Å; T453-Q457 PolarHBondContact O-N 2.98Å; S454-Q457 WeakPolarHBondContact O-CB 3.36Å; S454-Q457 PolarHBondContact O-N 3.37Å; T455-Q457 PolarHBondContact O-N 3.13Å; Q457-F461 PolarHBondContact O-N 3.49Å
458L96.1Very high93.3Very high1 Ų148.3 Ų48.31%0.00523%0.229CC..Hα-helixtrans-68.6-48172.9-68.6173.8000111.5M387 R400 F401 E404 I405 S454 T455 K460 F461 V462M387-L458 HydrophobicContact CE-CB 4.16Å; R400-L458 HydrophobicContact CB-CD2 4.45Å; R400-L458 HydrophobicContact CG-CD2 3.88Å; F401-L458 HydrophobicContact CD2-CD2 3.66Å; F401-L458 HydrophobicContact CE2-CD2 3.94Å; F401-L458 HydrophobicContact CG-CD2 4.21Å; E404-L458 HydrophobicContact CB-CD2 4.17Å; E404-L458 HydrophobicContact CB-CG 4.17Å; E404-L458 HydrophobicContact CG-CD2 4.26Å; E404-L458 HydrophobicContact CG-CG 4.43Å; I405-L458 HydrophobicContact CD1-CD1 4.29Å; I405-L458 HydrophobicContact CG2-CD1 3.89Å; S454-L458 PolarHBondContact O-N 3.32Å; S454-L458 VanDerWaalsContact O-N 3.14Å; T455-L458 WeakPolarHBondContact O-CB 3.08Å; T455-L458 PolarHBondContact O-N 3.41Å; T455-L458 VanDerWaalsContact O-N 3.09Å; L458-K460 VanDerWaalsContact C-N 3.3Å; L458-K460 PolarHBondContact O-N 3.1Å; L458-F461 PolarHBondContact O-N 2.74Å; L458-F461 VanDerWaalsContact O-N 3.16Å; L458-V462 VanDerWaalsContact O-CG2 3.3Å; L458-V462 WeakPolarHBondContact O-CG2 3.04Å; L458-V462 PolarHBondContact O-N 3.14Å
459E96.9Very high94.1Very high0 Ų040.1 Ų40.10%019%0.191CC..Hα-helixtrans-54.7-46.9176.3-71.7171.3155.700110.9M387 T455 R456 F461 V462 R463 Q469 V475 Y476 M477M387-E459 HydrophobicContact CE-CG 4.25Å; T455-E459 HydrophobicContact CG2-CG 4.09Å; T455-E459 WeakPolarHBondContact O-CB 3.41Å; T455-E459 VanDerWaalsContact O-CG 3.3Å; T455-E459 WeakPolarHBondContact O-CG 3.25Å; T455-E459 PolarHBondContact O-N 3.48Å; R456-E459 WeakPolarHBondContact CA-OE2 3.44Å; E459-F461 PolarHBondContact O-N 3.23Å; E459-V462 PolarHBondContact O-N 3.18Å; E459-R463 WeakPolarHBondContact O-CG 3.34Å; E459-R463 PolarHBondContact O-N 3.43Å; E459-R463 PolarHBondContact O-NH1 3.4Å; E459-Q469 PolarHBondContact OE1-OE1 2.81Å; E459-V475 WeakPolarHBondContact OE1-CA 3.47Å; E459-Y476 PolarHBondContact OE1-N 2.7Å; E459-M477 HydrophobicContact CB-CE 4.16Å; E459-M477 HydrophobicContact CB-CG 3.88Å; E459-M477 HydrophobicContact CB-SD 3.93Å; E459-M477 HydrophobicContact CG-CE 3.82Å; E459-M477 HydrophobicContact CG-CG 4.13Å; E459-M477 HydrophobicContact CG-SD 4.25Å; E459-M477 PolarHBondContact OE1-N 3.01Å; E459-M477 PolarHBondContact OE2-N 3.22Å; E459-M477 VanDerWaalsContact OE2-N 3.12Å
460K97.8Very high94.5Very high92 Ų9238.7 Ų38.740%0.419%0.185SC..Hα-helixtrans-59.5-49.2177.1-170.4-162.4178.1-51.60111.6R456 L458 V462 R463 D464R456-K460 VanDerWaalsContact O-CB 3.31Å; R456-K460 WeakPolarHBondContact O-CB 3.37Å; R456-K460 PolarHBondContact O-N 3.26Å; L458-K460 VanDerWaalsContact C-N 3.3Å; L458-K460 PolarHBondContact O-N 3.1Å; K460-V462 VanDerWaalsContact C-N 3.28Å; K460-V462 PolarHBondContact O-N 2.92Å; K460-R463 PolarHBondContact O-N 3.18Å; K460-D464 IonicContact NZ-OD1 3.39Å; K460-D464 PolarHBondContact NZ-OD1 3.41Å; K460-D464 IonicContact NZ-OD2 3.05Å; K460-D464 PolarHBondContact NZ-OD2 2.99Å; K460-D464 PolarHBondContact O-N 2.93Å
461F98.1Very high94.7Very high30 Ų3033.9 Ų33.913%0.13216%0.163CC..Hα-helixtrans-57.4-44178.6169-92.8000111.6V389 A396 A397 R400 Q457 L458 E459 R463 D464 V465V389-F461 HydrophobicContact CG1-CE1 4.46Å; A396-F461 HydrophobicContact CB-CE2 4.12Å; A396-F461 HydrophobicContact CB-CZ 3.99Å; A397-F461 VanDerWaalsContact CA-CE1 3.47Å; A397-F461 HydrophobicContact CB-CE1 3.54Å; A397-F461 HydrophobicContact CB-CZ 3.94Å; R400-F461 HydrophobicContact CB-CD1 4.5Å; R400-F461 HydrophobicContact CB-CG 4.4Å; R400-F461 HydrophobicContact CG-CB 4.11Å; R400-F461 HydrophobicContact CG-CD1 4.46Å; R400-F461 HydrophobicContact CG-CD2 4.41Å; R400-F461 HydrophobicContact CG-CG 4.05Å; Q457-F461 PolarHBondContact O-N 3.49Å; L458-F461 PolarHBondContact O-N 2.74Å; L458-F461 VanDerWaalsContact O-N 3.16Å; E459-F461 PolarHBondContact O-N 3.23Å; F461-R463 VanDerWaalsContact C-N 3.32Å; F461-R463 PolarHBondContact O-N 3.13Å; F461-D464 WeakPolarHBondContact O-CB 3.48Å; F461-D464 PolarHBondContact O-N 3.34Å; F461-V465 HydrophobicContact CE1-CG1 4.42Å; F461-V465 HydrophobicContact CE1-CG2 4.16Å; F461-V465 HydrophobicContact CE2-CG1 3.95Å; F461-V465 HydrophobicContact CZ-CG1 3.9Å; F461-V465 HydrophobicContact CZ-CG2 4.41Å; F461-V465 WeakPolarHBondContact O-CG2 3.49Å; F461-V465 PolarHBondContact O-N 3.45Å; F461-V465 VanDerWaalsContact O-N 3.16Å
462V97.8Very high94.8Very high1 Ų136.6 Ų36.61%0.00617%0.171CC..Hα-helixtrans-59.9-43.1178.6171.10000111M387 V389 L458 E459 K460 V465 H466 G467 M485M387-V462 HydrophobicContact CB-CG2 3.69Å; M387-V462 HydrophobicContact CG-CG2 3.85Å; M387-V462 HydrophobicContact SD-CG2 3.82Å; V389-V462 HydrophobicContact CG1-CG2 4.15Å; L458-V462 VanDerWaalsContact O-CG2 3.3Å; L458-V462 WeakPolarHBondContact O-CG2 3.04Å; L458-V462 PolarHBondContact O-N 3.14Å; E459-V462 PolarHBondContact O-N 3.18Å; K460-V462 VanDerWaalsContact C-N 3.28Å; K460-V462 PolarHBondContact O-N 2.92Å; V462-V465 WeakPolarHBondContact O-CG2 3.46Å; V462-V465 PolarHBondContact O-N 2.94Å; V462-H466 PolarHBondContact O-N 3.18Å; V462-G467 VanDerWaalsContact CG1-C 3.42Å; V462-G467 WeakPolarHBondContact O-CA 3.41Å; V462-G467 PolarHBondContact O-N 3.25Å; V462-M485 HydrophobicContact CG1-SD 4.5Å
463R97.1Very high94.7Very high24 Ų2431.4 Ų31.49%0.09115%0.149CC..Hα-helixtrans-63.4-44.7174.3-63.9-163.8-51.2-83.76.7112.8E459 K460 F461 V465 H466 M477 E481 E484 M485E459-R463 WeakPolarHBondContact O-CG 3.34Å; E459-R463 PolarHBondContact O-N 3.43Å; E459-R463 PolarHBondContact O-NH1 3.4Å; K460-R463 PolarHBondContact O-N 3.18Å; F461-R463 VanDerWaalsContact C-N 3.32Å; F461-R463 PolarHBondContact O-N 3.13Å; R463-V465 PolarHBondContact O-N 3.09Å; R463-V465 VanDerWaalsContact O-N 3.15Å; R463-H466 PolarHBondContact O-N 3.46Å; R463-M477 HydrophobicContact CG-SD 4.31Å; R463-M477 VanDerWaalsContact NH1-CG 3.29Å; R463-M477 PolarHBondContact NH1-SD 3.14Å; R463-E481 WeakPolarHBondContact CD-O 3.24Å; R463-E481 IonicContact CZ-OE1 3.07Å; R463-E481 IonicContact NH2-OE1 2.7Å; R463-E481 PolarHBondContact NH2-OE1 2.87Å; R463-E484 WeakPolarHBondContact CD-OE2 3.41Å; R463-E484 IonicContact CZ-OE2 2.88Å; R463-E484 IonicContact NE-OE2 3.88Å; R463-E484 PolarHBondContact NE-OE2 3.2Å; R463-M485 HydrophobicContact CG-CG 3.54Å; R463-M485 HydrophobicContact CG-SD 4.16Å
464D97.4Very high94.4Very high92 Ų9230.3 Ų30.349%0.49214%0.14SC..Hα-helixtrans-58.2-30-179.7-66.3-21.4000111.9K460 F461K460-D464 IonicContact NZ-OD1 3.39Å; K460-D464 PolarHBondContact NZ-OD1 3.41Å; K460-D464 IonicContact NZ-OD2 3.05Å; K460-D464 PolarHBondContact NZ-OD2 2.99Å; K460-D464 PolarHBondContact O-N 2.93Å; F461-D464 WeakPolarHBondContact O-CB 3.48Å; F461-D464 PolarHBondContact O-N 3.34Å
465V96.8Very high94.3Very high16 Ų1629.9 Ų29.910%0.09714%0.137CC..THydrogen-bonded Turntrans-101.211.2178.8-56.10000114.2V389 P390 H393 F461 V462 R463 G467V389-V465 HydrophobicContact CB-CG2 4.38Å; V389-V465 HydrophobicContact CG1-CG2 4.15Å; P390-V465 WeakPolarHBondContact CD-O 3.45Å; P390-V465 VanDerWaalsContact CG-O 3.31Å; P390-V465 WeakPolarHBondContact CG-O 3.48Å; H393-V465 HydrophobicContact CB-CB 4.31Å; H393-V465 HydrophobicContact CB-CG1 4.27Å; F461-V465 HydrophobicContact CE1-CG1 4.42Å; F461-V465 HydrophobicContact CE1-CG2 4.16Å; F461-V465 HydrophobicContact CE2-CG1 3.95Å; F461-V465 HydrophobicContact CZ-CG1 3.9Å; F461-V465 HydrophobicContact CZ-CG2 4.41Å; F461-V465 WeakPolarHBondContact O-CG2 3.49Å; F461-V465 PolarHBondContact O-N 3.45Å; F461-V465 VanDerWaalsContact O-N 3.16Å; V462-V465 WeakPolarHBondContact O-CG2 3.46Å; V462-V465 PolarHBondContact O-N 2.94Å; R463-V465 PolarHBondContact O-N 3.09Å; R463-V465 VanDerWaalsContact O-N 3.15Å; V465-G467 VanDerWaalsContact C-N 3.29Å; V465-G467 PolarHBondContact O-N 2.67Å
466H96.1Very high94.3Very high81 Ų8131.4 Ų31.438%0.37514%0.143SC..THydrogen-bonded Turntrans58.339.7-178.6-49.6-54.7000113.7K427 Y435 V462 R463K427-H466 HydrophobicContact CB-CB 4.33Å; K427-H466 HydrophobicContact CD-CB 4.33Å; K427-H466 WeakPolarHBondContact CD-CD2 3.21Å; K427-H466 WeakPolarHBondContact CD-NE2 3.34Å; K427-H466 PolarHBondContact NZ-CE1 3.38Å; K427-H466 PolarHBondContact NZ-NE2 3.25Å; Y435-H466 PolarHBondContact OH-O 3.44Å; V462-H466 PolarHBondContact O-N 3.18Å; R463-H466 PolarHBondContact O-N 3.46Å
467G97Very high94.3Very high0 Ų027.9 Ų27.90%013%0.13CC..  trans-90.7-179.8168.500000113L388 V462 V465L388-G467 CarbonylContact O-C 3.56Å; L388-G467 WeakPolarHBondContact O-CA 3.4Å; V462-G467 VanDerWaalsContact CG1-C 3.42Å; V462-G467 WeakPolarHBondContact O-CA 3.41Å; V462-G467 PolarHBondContact O-N 3.25Å; V465-G467 VanDerWaalsContact C-N 3.29Å; V465-G467 PolarHBondContact O-N 2.67Å
468F96.9Very high94.3Very high8 Ų827.9 Ų27.94%0.03513%0.132CC..EExtended strand (participates in β ladder)trans-131.2155.1-180-49.1-90.9000109.9L388 L417 V424 H425 Y435 M485 F486L388-F468 WeakPolarHBondContact CA-O 3.48Å; L388-F468 HydrophobicContact CB-CB 4.2Å; L388-F468 WeakPolarHBondContact CB-O 3.05Å; L388-F468 HydrophobicContact CD1-CB 4.22Å; L388-F468 PolarHBondContact N-O 2.65Å; L388-F468 PolarHBondContact O-N 2.69Å; L417-F468 HydrophobicContact CD2-CE2 3.82Å; L417-F468 HydrophobicContact CD2-CZ 4.32Å; V424-F468 HydrophobicContact CB-CD1 4.48Å; V424-F468 HydrophobicContact CB-CE1 4.18Å; V424-F468 HydrophobicContact CB-CZ 4.42Å; V424-F468 HydrophobicContact CG1-CD1 4.13Å; V424-F468 HydrophobicContact CG1-CD2 4Å; V424-F468 HydrophobicContact CG1-CE1 3.88Å; V424-F468 HydrophobicContact CG1-CE2 3.79Å; V424-F468 HydrophobicContact CG1-CG 4.19Å; V424-F468 HydrophobicContact CG1-CZ 3.74Å; V424-F468 HydrophobicContact CG2-CD1 3.89Å; V424-F468 HydrophobicContact CG2-CE1 4Å; V424-F468 HydrophobicContact CG2-CG 4.42Å; H425-F468 WeakPolarHBondContact O-CZ 3.4Å; Y435-F468 HydrophobicContact CE1-CD2 4.05Å; Y435-F468 AromaticContact CE1-CE2 3.74Å; Y435-F468 HydrophobicContact CE1-CE2 3.74Å; F468-M485 HydrophobicContact CD1-CB 4.47Å; F468-M485 VanDerWaalsContact CD1-O 3.22Å; F468-M485 WeakPolarHBondContact CD1-O 3.45Å; F468-M485 WeakPolarHBondContact CE1-O 3.26Å; F468-F486 HydrophobicContact CB-CE1 4.31Å; F468-F486 AromaticContact CD1-CD1 3.8Å; F468-F486 HydrophobicContact CD1-CD1 3.8Å; F468-F486 AromaticContact CD1-CE1 3.72Å; F468-F486 HydrophobicContact CD1-CE1 3.72Å; F468-F486 HydrophobicContact CE1-CD1 4.28Å; F468-F486 HydrophobicContact CG-CE1 4.44Å
469Q95.7Very high94.3Very high1 Ų131.8 Ų31.81%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-107.5137.1172.1-178.6-178.35.200110.4W216 M387 E459 L471 D474 M477 M485W216-Q469 WeakPolarHBondContact CZ3-O 3.46Å; M387-Q469 HydrophobicContact CE-CG 4.06Å; M387-Q469 HydrophobicContact SD-CB 3.88Å; M387-Q469 HydrophobicContact SD-CG 3.65Å; E459-Q469 PolarHBondContact OE1-OE1 2.81Å; Q469-L471 PolarHBondContact O-N 3.1Å; Q469-D474 PolarHBondContact NE2-O 2.94Å; Q469-M477 HydrophobicContact CB-CE 4.49Å; Q469-M485 HydrophobicContact CB-CE 4.38Å; Q469-M485 HydrophobicContact CB-SD 4.2Å
470M93.3Very high94.2Very high12 Ų1239.4 Ų39.46%0.05918%0.182CC..  trans-64.3124.9172.6-70.4-150.617500112T171 I173 D386 L388 D437 Y472 A473T171-M470 HydrophobicContact CG2-CB 4.18Å; T171-M470 HydrophobicContact CG2-CE 3.86Å; T171-M470 HydrophobicContact CG2-CG 3.78Å; T171-M470 HydrophobicContact CG2-SD 3.43Å; T171-M470 WeakPolarHBondContact CG2-SD 3.24Å; I173-M470 HydrophobicContact CB-CE 4.29Å; I173-M470 HydrophobicContact CG2-CE 3.42Å; I173-M470 VanDerWaalsContact CG2-CE 3.42Å; D386-M470 HydrophobicContact CB-CB 3.85Å; D386-M470 HydrophobicContact CB-CE 4.43Å; D386-M470 HydrophobicContact CB-CG 3.53Å; D386-M470 HydrophobicContact CB-SD 3.75Å; D386-M470 PolarHBondContact O-N 3.01Å; L388-M470 HydrophobicContact CD2-CE 3.99Å; L388-M470 HydrophobicContact CD2-CG 4.31Å; L388-M470 HydrophobicContact CG-CG 4.43Å; D437-M470 WeakPolarHBondContact OD2-CE 3.49Å; M470-Y472 HydrophobicContact CB-CD1 3.79Å; M470-Y472 HydrophobicContact CB-CE1 3.95Å; M470-Y472 PolarHBondContact O-N 3.14Å; M470-Y472 HydrophobicContact SD-CD1 4.04Å; M470-Y472 HydrophobicContact SD-CE1 3.79Å; M470-A473 PolarHBondContact O-N 3.07Å; M470-A473 VanDerWaalsContact O-N 3.14Å
471L90.8Very high94.2Very high10 Ų1036.2 Ų36.25%0.05217%0.169CC..THydrogen-bonded Turntrans-76.425-175.4-55-173.9000114R103 W216 Q469 F482 F486 V507 I511R103-L471 VanDerWaalsContact CZ-C 3.47Å; R103-L471 PolarHBondContact NH1-O 3.23Å; R103-L471 PolarHBondContact NH2-O 3.35Å; W216-L471 HydrophobicContact CE3-CD1 3.85Å; W216-L471 HydrophobicContact CE3-CG 3.84Å; W216-L471 HydrophobicContact CZ3-CD1 4.43Å; W216-L471 HydrophobicContact CZ3-CG 3.91Å; Q469-L471 PolarHBondContact O-N 3.1Å; L471-F482 HydrophobicContact CD1-CE2 4.33Å; L471-F482 HydrophobicContact CD1-CZ 4.43Å; L471-F482 HydrophobicContact CD2-CE2 3.75Å; L471-F486 HydrophobicContact CD1-CZ 4.42Å; L471-F486 HydrophobicContact CD2-CE2 4.11Å; L471-F486 HydrophobicContact CD2-CZ 3.98Å; L471-F486 HydrophobicContact CG-CZ 4.33Å; L471-V507 HydrophobicContact CD1-CG2 3.89Å; L471-I511 HydrophobicContact CB-CG2 4.26Å; L471-I511 HydrophobicContact CD2-CD1 4.32Å
472Y86.8Confident94.1Very high70 Ų7034.8 Ų34.828%0.27516%0.162SC..THydrogen-bonded Turntrans-110.3-10.6164.792.9-88.5000113.8R103 V384 D386 Y441 M470R103-Y472 VanDerWaalsContact CZ-O 3.27Å; R103-Y472 PolarHBondContact NE-O 3.44Å; R103-Y472 PolarHBondContact NH2-O 3.01Å; V384-Y472 HydrophobicContact CG1-CE2 3.69Å; D386-Y472 HydrophobicContact CB-CE1 4.36Å; D386-Y472 WeakPolarHBondContact OD2-CE1 3.39Å; D386-Y472 PolarHBondContact OD2-OH 3.14Å; Y441-Y472 WeakPolarHBondContact CE1-OH 3.42Å; M470-Y472 HydrophobicContact CB-CD1 3.79Å; M470-Y472 HydrophobicContact CB-CE1 3.95Å; M470-Y472 PolarHBondContact O-N 3.14Å; M470-Y472 HydrophobicContact SD-CD1 4.04Å; M470-Y472 HydrophobicContact SD-CE1 3.79Å
473A87.1Confident94Very high3 Ų337 Ų373%0.02517%0.171CC..SBendtrans-88.8175.3178.600000115.4R103 V384 M470 V475 R516R103-A473 PolarHBondContact NE-O 3.27Å; R103-A473 PolarHBondContact NH2-O 3.34Å; V384-A473 VanDerWaalsContact O-CB 3.24Å; V384-A473 WeakPolarHBondContact O-CB 3.24Å; M470-A473 PolarHBondContact O-N 3.07Å; M470-A473 VanDerWaalsContact O-N 3.14Å; A473-V475 PolarHBondContact O-N 3.07Å; A473-R516 VanDerWaalsContact O-CZ 3.26Å; A473-R516 PolarHBondContact O-NH1 3.43Å; A473-R516 PolarHBondContact O-NH2 3.04Å
474D85.8Confident93.9Very high37 Ų3742 Ų4220%0.19820%0.195CC..  trans-69.8126.8177.5-92.3-15.5000113.3Q385 Q469 Y476 K513 R516Q385-D474 PolarHBondContact NE2-O 2.84Å; Q469-D474 PolarHBondContact NE2-O 2.94Å; D474-Y476 HydrophobicContact CB-CD2 4.33Å; D474-Y476 HydrophobicContact CB-CE2 3.78Å; D474-K513 IonicContact OD1-NZ 3.12Å; D474-K513 PolarHBondContact OD1-NZ 3.45Å; D474-K513 IonicContact OD2-NZ 3.98Å; D474-K513 PolarHBondContact OD2-NZ 3.44Å; D474-R516 VanDerWaalsContact CA-NH1 3.3Å; D474-R516 IonicContact OD1-CZ 2.96Å; D474-R516 IonicContact OD1-NH1 3.32Å; D474-R516 PolarHBondContact OD1-NH1 2.93Å
475V90.5Very high93.7Very high0 Ų038.2 Ų38.20%018%0.175CC..BIsolated β-bridgetrans-113.8108.9-179.2-178.70000109.5E459 A473 M477 I511 K513E459-V475 WeakPolarHBondContact OE1-CA 3.47Å; A473-V475 PolarHBondContact O-N 3.07Å; V475-M477 HydrophobicContact CG1-CB 4.08Å; V475-M477 HydrophobicContact CG1-CE 3.87Å; V475-I511 HydrophobicContact CB-CD1 3.91Å; V475-I511 HydrophobicContact CG1-CD1 3.69Å; V475-I511 HydrophobicContact CG2-CD1 3.84Å; V475-K513 WeakPolarHBondContact O-CB 3.12Å; V475-K513 PolarHBondContact O-N 3.2Å
476Y92.7Very high93.6Very high36 Ų3638 Ų3814%0.14117%0.172CC..  trans-103.9-5178.5-69.9-84.1000113.4K452 T455 R456 E459 D474 K513K452-Y476 HydrophobicContact CB-CD1 3.96Å; K452-Y476 HydrophobicContact CB-CE1 3.77Å; K452-Y476 HydrophobicContact CD-CD1 4.1Å; K452-Y476 HydrophobicContact CD-CE1 4.36Å; K452-Y476 HydrophobicContact CG-CD1 3.57Å; K452-Y476 HydrophobicContact CG-CE1 3.89Å; K452-Y476 HydrophobicContact CG-CG 4.13Å; T455-Y476 HydrophobicContact CG2-CD2 3.71Å; T455-Y476 HydrophobicContact CG2-CE2 4.28Å; R456-Y476 PolarHBondContact NH1-O 3.04Å; E459-Y476 PolarHBondContact OE1-N 2.7Å; D474-Y476 HydrophobicContact CB-CD2 4.33Å; D474-Y476 HydrophobicContact CB-CE2 3.78Å; Y476-K513 HydrophobicContact CD1-CB 4.16Å; Y476-K513 HydrophobicContact CD1-CG 4.16Å; Y476-K513 HydrophobicContact CE1-CB 4.24Å; Y476-K513 HydrophobicContact CE1-CD 4.06Å; Y476-K513 HydrophobicContact CE1-CG 3.72Å
477M94.4Very high93.5Very high2 Ų236.1 Ų36.11%0.0117%0.165CC..  trans-54.1145.8166.5-77.5173.7-69.300111.5E459 R463 Q469 V475 E481 M485 Y508E459-M477 HydrophobicContact CB-CE 4.16Å; E459-M477 HydrophobicContact CB-CG 3.88Å; E459-M477 HydrophobicContact CB-SD 3.93Å; E459-M477 HydrophobicContact CG-CE 3.82Å; E459-M477 HydrophobicContact CG-CG 4.13Å; E459-M477 HydrophobicContact CG-SD 4.25Å; E459-M477 PolarHBondContact OE1-N 3.01Å; E459-M477 PolarHBondContact OE2-N 3.22Å; E459-M477 VanDerWaalsContact OE2-N 3.12Å; R463-M477 HydrophobicContact CG-SD 4.31Å; R463-M477 VanDerWaalsContact NH1-CG 3.29Å; R463-M477 PolarHBondContact NH1-SD 3.14Å; Q469-M477 HydrophobicContact CB-CE 4.49Å; V475-M477 HydrophobicContact CG1-CB 4.08Å; V475-M477 HydrophobicContact CG1-CE 3.87Å; M477-E481 VanDerWaalsContact CA-OE2 3.29Å; M477-E481 WeakPolarHBondContact CA-OE2 3.07Å; M477-E481 HydrophobicContact CB-CB 3.85Å; M477-E481 HydrophobicContact CG-CB 3.88Å; M477-E481 HydrophobicContact SD-CB 4.41Å; M477-M485 HydrophobicContact CE-CE 3.18Å; M477-M485 HydrophobicContact CE-SD 3.9Å; M477-M485 HydrophobicContact SD-CE 3.57Å; M477-M485 VanDerWaalsContact SD-CE 3.57Å; M477-M485 HydrophobicContact SD-SD 3.98Å; M477-Y508 PolarHBondContact O-OH 3.21Å; M477-Y508 VanDerWaalsContact O-OH 3.09Å
478D95.4Very high93.4Very high70 Ų7036.6 Ų36.637%0.37417%0.17SC..  trans-75.5-179162.568.445.2000111.4E480 E481 F482 Y508D478-E480 PolarHBondContact OD1-N 3.36Å; D478-E481 PolarHBondContact N-OE2 3.34Å; D478-E481 WeakPolarHBondContact OD1-CG 3.35Å; D478-E481 PolarHBondContact OD1-N 3.46Å; D478-F482 WeakPolarHBondContact O-CB 3.44Å; D478-F482 PolarHBondContact O-N 3.02Å; D478-Y508 VanDerWaalsContact C-CE2 3.45Å; D478-Y508 WeakPolarHBondContact CA-OH 3.38Å; D478-Y508 WeakPolarHBondContact O-CE2 3.32Å
479R95.6Very high93.3Very high83 Ų8343.5 Ų43.531%0.31320%0.202SC..Hα-helixtrans-69.3-37-175.8-173.3-176.4-57.6-92.1-0.9112F482 W483 E506 Y508 D509R479-F482 PolarHBondContact O-N 2.79Å; R479-W483 VanDerWaalsContact O-CD1 3.24Å; R479-W483 PolarHBondContact O-N 3.19Å; R479-E506 IonicContact NH1-OE1 2.72Å; R479-E506 PolarHBondContact NH1-OE1 3.49Å; R479-E506 IonicContact NH1-OE2 3.22Å; R479-E506 PolarHBondContact NH1-OE2 2.75Å; R479-Y508 HydrophobicContact CB-CD1 3.9Å; R479-Y508 HydrophobicContact CB-CD2 4.4Å; R479-Y508 HydrophobicContact CB-CE1 3.79Å; R479-Y508 HydrophobicContact CB-CE2 4.33Å; R479-Y508 HydrophobicContact CB-CG 4.19Å; R479-Y508 HydrophobicContact CG-CD1 4Å; R479-Y508 HydrophobicContact CG-CE1 4.41Å; R479-Y508 HydrophobicContact CG-CG 4.07Å; R479-Y508 VanDerWaalsContact CZ-CD1 3.47Å; R479-Y508 PolarHBondContact N-OH 3.35Å; R479-D509 IonicContact CZ-OD1 3.79Å; R479-D509 IonicContact CZ-OD2 3.05Å; R479-D509 IonicContact NH1-OD1 2.69Å; R479-D509 IonicContact NH1-OD2 3.74Å; R479-D509 PolarHBondContact NH1-OD2 3.19Å; R479-D509 VanDerWaalsContact NH2-CG 3.29Å; R479-D509 IonicContact NH2-OD1 3.95Å; R479-D509 PolarHBondContact NH2-OD1 2.79Å; R479-D509 IonicContact NH2-OD2 3.07Å; R479-D509 PolarHBondContact NH2-OD2 2.81Å
480E95.9Very high93.4Very high159 Ų15944.4 Ų44.474%0.74321%0.206SC*.Hα-helixtrans-69.4-48.6-178.9-65.5-180-17900109D478 F482 W483 E484D478-E480 PolarHBondContact OD1-N 3.36Å; E480-F482 PolarHBondContact O-N 3.48Å; E480-W483 PolarHBondContact O-N 2.83Å; E480-W483 VanDerWaalsContact O-N 3.09Å; E480-E484 PolarHBondContact O-N 3.3Å
481E96.4Very high93.6Very high26 Ų2643.9 Ų43.912%0.12120%0.204CC..Hα-helixtrans-56.2-38173.4-68179.8128.200112.1R456 R463 M477 D478 E484R456-E481 IonicContact CZ-OE1 3.05Å; R456-E481 IonicContact CZ-OE2 2.62Å; R456-E481 IonicContact NH1-OE1 2.71Å; R456-E481 IonicContact NH1-OE2 3.5Å; R456-E481 PolarHBondContact NH1-OE2 3.26Å; R456-E481 IonicContact NH2-OE1 2.87Å; R456-E481 PolarHBondContact NH2-OE1 3.12Å; R456-E481 IonicContact NH2-OE2 3.44Å; R456-E481 PolarHBondContact NH2-OE2 2.99Å; R463-E481 WeakPolarHBondContact CD-O 3.24Å; R463-E481 IonicContact CZ-OE1 3.07Å; R463-E481 IonicContact NH2-OE1 2.7Å; R463-E481 PolarHBondContact NH2-OE1 2.87Å; M477-E481 VanDerWaalsContact CA-OE2 3.29Å; M477-E481 WeakPolarHBondContact CA-OE2 3.07Å; M477-E481 HydrophobicContact CB-CB 3.85Å; M477-E481 HydrophobicContact CG-CB 3.88Å; M477-E481 HydrophobicContact SD-CB 4.41Å; D478-E481 PolarHBondContact N-OE2 3.34Å; D478-E481 WeakPolarHBondContact OD1-CG 3.35Å; D478-E481 PolarHBondContact OD1-N 3.46Å; E481-E484 WeakPolarHBondContact O-CB 3.39Å; E481-E484 PolarHBondContact O-N 3.24Å
482F95.9Very high94Very high0 Ų046.6 Ų46.60%022%0.216CC..Hα-helixtrans-62.3-46.6176170.9-91.3000112.1M423 L471 D478 R479 E480 E484 M485 F486 V507 Y508 I511M423-F482 HydrophobicContact CE-CE1 4.46Å; M423-F482 HydrophobicContact CE-CZ 4.2Å; L471-F482 HydrophobicContact CD1-CE2 4.33Å; L471-F482 HydrophobicContact CD1-CZ 4.43Å; L471-F482 HydrophobicContact CD2-CE2 3.75Å; D478-F482 WeakPolarHBondContact O-CB 3.44Å; D478-F482 PolarHBondContact O-N 3.02Å; R479-F482 PolarHBondContact O-N 2.79Å; E480-F482 PolarHBondContact O-N 3.48Å; F482-E484 VanDerWaalsContact C-N 3.28Å; F482-E484 PolarHBondContact O-N 3.06Å; F482-M485 HydrophobicContact CD2-CE 4.28Å; F482-M485 PolarHBondContact O-N 3.28Å; F482-F486 HydrophobicContact CD1-CD2 4.35Å; F482-F486 HydrophobicContact CD2-CD2 4.18Å; F482-F486 AromaticContact CD2-CE2 3.92Å; F482-F486 HydrophobicContact CD2-CE2 3.92Å; F482-F486 AromaticContact CE1-CD2 3.9Å; F482-F486 HydrophobicContact CE1-CD2 3.9Å; F482-F486 HydrophobicContact CE1-CE2 4.38Å; F482-F486 AromaticContact CE2-CD2 3.74Å; F482-F486 HydrophobicContact CE2-CD2 3.74Å; F482-F486 AromaticContact CE2-CE2 3.38Å; F482-F486 HydrophobicContact CE2-CE2 3.38Å; F482-F486 HydrophobicContact CE2-CZ 4.43Å; F482-F486 HydrophobicContact CG-CD2 4.47Å; F482-F486 AromaticContact CZ-CD2 3.57Å; F482-F486 HydrophobicContact CZ-CD2 3.57Å; F482-F486 AromaticContact CZ-CE2 3.63Å; F482-F486 HydrophobicContact CZ-CE2 3.63Å; F482-F486 WeakPolarHBondContact O-CD2 3.32Å; F482-V507 HydrophobicContact CE1-CG1 3.69Å; F482-V507 HydrophobicContact CZ-CG1 3.67Å; F482-V507 HydrophobicContact CZ-CG2 4.26Å; F482-Y508 HydrophobicContact CB-CD2 3.65Å; F482-Y508 HydrophobicContact CB-CE2 4.07Å; F482-Y508 HydrophobicContact CD1-CD2 4.25Å; F482-Y508 HydrophobicContact CD2-CD2 4.16Å; F482-Y508 AromaticContact CG-CD2 3.76Å; F482-Y508 HydrophobicContact CG-CD2 3.76Å; F482-I511 HydrophobicContact CD2-CD1 3.75Å; F482-I511 HydrophobicContact CE2-CD1 3.68Å; F482-I511 HydrophobicContact CE2-CG1 4.21Å
483W95.7Very high94.5Very high47 Ų4747.7 Ų47.718%0.17822%0.222CC..Hα-helixtrans-75.4-14.3-178.5-75117.3000113.3M423 R479 E480 M485 F486 Y491 H492 E506 V507M423-W483 HydrophobicContact CE-CH2 3.95Å; M423-W483 HydrophobicContact CE-CZ3 3.82Å; R479-W483 VanDerWaalsContact O-CD1 3.24Å; R479-W483 PolarHBondContact O-N 3.19Å; E480-W483 PolarHBondContact O-N 2.83Å; E480-W483 VanDerWaalsContact O-N 3.09Å; W483-M485 PolarHBondContact O-N 3.37Å; W483-F486 HydrophobicContact CE3-CB 4.08Å; W483-F486 HydrophobicContact CZ3-CB 4.11Å; W483-F486 PolarHBondContact O-N 2.99Å; W483-Y491 AromaticContact CH2-CD1 3.4Å; W483-Y491 HydrophobicContact CH2-CD1 3.4Å; W483-Y491 AromaticContact CH2-CE1 3.67Å; W483-Y491 HydrophobicContact CH2-CE1 3.67Å; W483-Y491 HydrophobicContact CH2-CG 4.19Å; W483-Y491 AromaticContact CZ2-CD1 3.91Å; W483-Y491 HydrophobicContact CZ2-CD1 3.91Å; W483-Y491 AromaticContact CZ2-CE1 3.8Å; W483-Y491 HydrophobicContact CZ2-CE1 3.8Å; W483-Y491 HydrophobicContact CZ3-CD1 4.42Å; W483-H492 AromaticContact CD2-NE2 3.87Å; W483-H492 AromaticContact CE2-CE1 3.78Å; W483-H492 AromaticContact CE2-NE2 3.29Å; W483-H492 VanDerWaalsContact CE2-NE2 3.29Å; W483-H492 AromaticContact CH2-NE2 3.69Å; W483-H492 AromaticContact CZ2-CE1 3.43Å; W483-H492 VanDerWaalsContact CZ2-CE1 3.43Å; W483-H492 WeakPolarHBondContact CZ2-CE1 3.31Å; W483-H492 AromaticContact CZ2-NE2 3.2Å; W483-H492 WeakPolarHBondContact CZ2-NE2 3.39Å; W483-H492 AromaticContact NE1-NE2 3.73Å; W483-E506 HydrophobicContact CZ2-CG 4.34Å; W483-E506 WeakPolarHBondContact CZ2-OE1 3.37Å; W483-E506 PolarHBondContact NE1-OE1 3.25Å; W483-V507 HydrophobicContact CH2-CG1 3.92Å; W483-V507 HydrophobicContact CZ2-CG1 3.87Å
484E95Very high95Very high128 Ų12847.9 Ų47.960%0.59822%0.223SC*.Hα-helixtrans-63.2-28167.1-71.3173.2177.800112.8R463 E480 E481 F482R463-E484 WeakPolarHBondContact CD-OE2 3.41Å; R463-E484 IonicContact CZ-OE2 2.88Å; R463-E484 IonicContact NE-OE2 3.88Å; R463-E484 PolarHBondContact NE-OE2 3.2Å; E480-E484 PolarHBondContact O-N 3.3Å; E481-E484 WeakPolarHBondContact O-CB 3.39Å; E481-E484 PolarHBondContact O-N 3.24Å; F482-E484 VanDerWaalsContact C-N 3.28Å; F482-E484 PolarHBondContact O-N 3.06Å
485M93.2Very high95.6Very high14 Ų1446.6 Ų46.67%0.06922%0.215CC..Hα-helixtrans-80.6-31.7177.8-69-174-61.500113.3V462 R463 F468 Q469 M477 F482 W483V462-M485 HydrophobicContact CG1-SD 4.5Å; R463-M485 HydrophobicContact CG-CG 3.54Å; R463-M485 HydrophobicContact CG-SD 4.16Å; F468-M485 HydrophobicContact CD1-CB 4.47Å; F468-M485 VanDerWaalsContact CD1-O 3.22Å; F468-M485 WeakPolarHBondContact CD1-O 3.45Å; F468-M485 WeakPolarHBondContact CE1-O 3.26Å; Q469-M485 HydrophobicContact CB-CE 4.38Å; Q469-M485 HydrophobicContact CB-SD 4.2Å; M477-M485 HydrophobicContact CE-CE 3.18Å; M477-M485 HydrophobicContact CE-SD 3.9Å; M477-M485 HydrophobicContact SD-CE 3.57Å; M477-M485 VanDerWaalsContact SD-CE 3.57Å; M477-M485 HydrophobicContact SD-SD 3.98Å; F482-M485 HydrophobicContact CD2-CE 4.28Å; F482-M485 PolarHBondContact O-N 3.28Å; W483-M485 PolarHBondContact O-N 3.37Å
486F94.5Very high95.9Very high10 Ų1049.3 Ų49.34%0.04424%0.237CC..SBendtrans-120.3144-166-62-74000112W216 M423 V424 F468 L471 F482 W483 G488W216-F486 HydrophobicContact CD2-CE1 4.22Å; W216-F486 AromaticContact CE3-CE1 3.53Å; W216-F486 HydrophobicContact CE3-CE1 3.53Å; W216-F486 AromaticContact CE3-CZ 3.84Å; W216-F486 HydrophobicContact CE3-CZ 3.84Å; W216-F486 AromaticContact CZ3-CE1 3.7Å; W216-F486 HydrophobicContact CZ3-CE1 3.7Å; W216-F486 AromaticContact CZ3-CZ 3.8Å; W216-F486 HydrophobicContact CZ3-CZ 3.8Å; M423-F486 HydrophobicContact CB-CB 4.32Å; M423-F486 HydrophobicContact CB-CD1 4.19Å; M423-F486 HydrophobicContact CE-CB 3.9Å; M423-F486 HydrophobicContact CE-CD1 4.06Å; M423-F486 HydrophobicContact CE-CD2 4.22Å; M423-F486 HydrophobicContact CE-CG 3.81Å; M423-F486 WeakPolarHBondContact O-CA 3.48Å; V424-F486 HydrophobicContact CG2-CD1 3.57Å; V424-F486 HydrophobicContact CG2-CE1 3.53Å; F468-F486 HydrophobicContact CB-CE1 4.31Å; F468-F486 AromaticContact CD1-CD1 3.8Å; F468-F486 HydrophobicContact CD1-CD1 3.8Å; F468-F486 AromaticContact CD1-CE1 3.72Å; F468-F486 HydrophobicContact CD1-CE1 3.72Å; F468-F486 HydrophobicContact CE1-CD1 4.28Å; F468-F486 HydrophobicContact CG-CE1 4.44Å; L471-F486 HydrophobicContact CD1-CZ 4.42Å; L471-F486 HydrophobicContact CD2-CE2 4.11Å; L471-F486 HydrophobicContact CD2-CZ 3.98Å; L471-F486 HydrophobicContact CG-CZ 4.33Å; F482-F486 HydrophobicContact CD1-CD2 4.35Å; F482-F486 HydrophobicContact CD2-CD2 4.18Å; F482-F486 AromaticContact CD2-CE2 3.92Å; F482-F486 HydrophobicContact CD2-CE2 3.92Å; F482-F486 AromaticContact CE1-CD2 3.9Å; F482-F486 HydrophobicContact CE1-CD2 3.9Å; F482-F486 HydrophobicContact CE1-CE2 4.38Å; F482-F486 AromaticContact CE2-CD2 3.74Å; F482-F486 HydrophobicContact CE2-CD2 3.74Å; F482-F486 AromaticContact CE2-CE2 3.38Å; F482-F486 HydrophobicContact CE2-CE2 3.38Å; F482-F486 HydrophobicContact CE2-CZ 4.43Å; F482-F486 HydrophobicContact CG-CD2 4.47Å; F482-F486 AromaticContact CZ-CD2 3.57Å; F482-F486 HydrophobicContact CZ-CD2 3.57Å; F482-F486 AromaticContact CZ-CE2 3.63Å; F482-F486 HydrophobicContact CZ-CE2 3.63Å; F482-F486 WeakPolarHBondContact O-CD2 3.32Å; W483-F486 HydrophobicContact CE3-CB 4.08Å; W483-F486 HydrophobicContact CZ3-CB 4.11Å; W483-F486 PolarHBondContact O-N 2.99Å; F486-G488 PolarHBondContact O-N 2.92Å; F486-G488 VanDerWaalsContact O-N 3.15Å
487D94.4Very high96.1Very high43 Ų4353.3 Ų53.323%0.2326%0.258CS..  trans-77102167.4-171.7-20.3000110.4M423 H425 H489M423-D487 WeakPolarHBondContact CA-O 3.44Å; M423-D487 PolarHBondContact O-N 2.65Å; H425-D487 VanDerWaalsContact NE2-CB 3.34Å; H425-D487 WeakPolarHBondContact NE2-CB 3.48Å; H425-D487 IonicContact NE2-OD2 2.75Å; H425-D487 PolarHBondContact NE2-OD2 2.9Å; D487-H489 VanDerWaalsContact OD1-CB 3.3Å; D487-H489 WeakPolarHBondContact OD1-CB 3.14Å; D487-H489 IonicContact OD1-CD2 2.82Å; D487-H489 PolarHBondContact OD1-CD2 3.25Å; D487-H489 IonicContact OD1-CG 2.8Å; D487-H489 PolarHBondContact OD1-N 3.4Å
488G94.8Very high96.2Very high9 Ų955.6 Ų55.69%0.09327%0.269CS..  trans-81.1-7.8179.500000115.6F486 L490 Y491 H492F486-G488 PolarHBondContact O-N 2.92Å; F486-G488 VanDerWaalsContact O-N 3.15Å; G488-L490 PolarHBondContact O-N 2.95Å; G488-Y491 PolarHBondContact O-N 2.87Å; G488-H492 WeakPolarHBondContact O-CB 3.37Å; G488-H492 PolarHBondContact O-CD2 2.85Å; G488-H492 PolarHBondContact O-N 3.05Å
489H95.9Very high96.2Very high154 Ų15453.7 Ų53.771%0.71327%0.266SS*.Hα-helixtrans-60.3-53.2-167.8-77.9-73.8000112.7D487 K493D487-H489 VanDerWaalsContact OD1-CB 3.3Å; D487-H489 WeakPolarHBondContact OD1-CB 3.14Å; D487-H489 IonicContact OD1-CD2 2.82Å; D487-H489 PolarHBondContact OD1-CD2 3.25Å; D487-H489 IonicContact OD1-CG 2.8Å; D487-H489 PolarHBondContact OD1-N 3.4Å; H489-K493 WeakPolarHBondContact O-CB 3.33Å; H489-K493 PolarHBondContact O-N 3.39Å
490L97.4Very high96.2Very high19 Ų1949.7 Ų49.710%0.09925%0.251CS..Hα-helixtrans-65.2-42.3-179.6-176.860.6000111.7D209 H212 A213 R421 G488 K493 L494D209-L490 HydrophobicContact CB-CD1 3.85Å; H212-L490 HydrophobicContact CB-CD2 3.91Å; A213-L490 HydrophobicContact CB-CD2 4.18Å; A213-L490 HydrophobicContact CB-CG 4.12Å; R421-L490 HydrophobicContact CB-CD2 4.42Å; R421-L490 HydrophobicContact CG-CD2 4.02Å; R421-L490 WeakPolarHBondContact O-CD2 3.13Å; G488-L490 PolarHBondContact O-N 2.95Å; L490-K493 PolarHBondContact O-N 3.17Å; L490-L494 HydrophobicContact CD1-CD1 4.32Å; L490-L494 HydrophobicContact CD1-CG 4.45Å; L490-L494 HydrophobicContact CG-CD1 4.31Å; L490-L494 WeakPolarHBondContact O-CG 3.34Å; L490-L494 PolarHBondContact O-N 2.76Å
491Y97.8Very high96.1Very high2 Ų247.1 Ų47.11%0.00824%0.238CC..Hα-helixtrans-60-48.9178.4170.2-98.1000111.9T220 L221 M423 W483 G488 L494 R495 E506 V507T220-Y491 VanDerWaalsContact OG1-CE2 3.3Å; T220-Y491 WeakPolarHBondContact OG1-CE2 3.38Å; T220-Y491 PolarHBondContact OG1-OH 3Å; L221-Y491 HydrophobicContact CD1-CD2 4.12Å; L221-Y491 HydrophobicContact CD2-CD2 4.04Å; L221-Y491 HydrophobicContact CD2-CE2 4.06Å; L221-Y491 HydrophobicContact CG-CD2 4.16Å; L221-Y491 HydrophobicContact CG-CE2 4.12Å; M423-Y491 HydrophobicContact SD-CD2 4.21Å; M423-Y491 HydrophobicContact SD-CG 4.31Å; W483-Y491 AromaticContact CH2-CD1 3.4Å; W483-Y491 HydrophobicContact CH2-CD1 3.4Å; W483-Y491 AromaticContact CH2-CE1 3.67Å; W483-Y491 HydrophobicContact CH2-CE1 3.67Å; W483-Y491 HydrophobicContact CH2-CG 4.19Å; W483-Y491 AromaticContact CZ2-CD1 3.91Å; W483-Y491 HydrophobicContact CZ2-CD1 3.91Å; W483-Y491 AromaticContact CZ2-CE1 3.8Å; W483-Y491 HydrophobicContact CZ2-CE1 3.8Å; W483-Y491 HydrophobicContact CZ3-CD1 4.42Å; G488-Y491 PolarHBondContact O-N 2.87Å; Y491-L494 PolarHBondContact O-N 3.27Å; Y491-R495 HydrophobicContact CE1-CG 4.37Å; Y491-R495 HydrophobicContact CE2-CG 4.38Å; Y491-R495 WeakPolarHBondContact O-CG 3.35Å; Y491-R495 PolarHBondContact O-N 2.82Å; Y491-R495 WeakPolarHBondContact OH-CD 3.33Å; Y491-E506 HydrophobicContact CE1-CG 3.89Å; Y491-V507 HydrophobicContact CE1-CG1 4.14Å; Y491-V507 PolarHBondContact OH-N 3.43Å
492H97.8Very high95.9Very high66 Ų6651.7 Ų51.731%0.30626%0.259SS..Hα-helixtrans-70.4-35.4-179.7-71.2-60.2000113.1W483 G488 R495 A496 E506W483-H492 AromaticContact CD2-NE2 3.87Å; W483-H492 AromaticContact CE2-CE1 3.78Å; W483-H492 AromaticContact CE2-NE2 3.29Å; W483-H492 VanDerWaalsContact CE2-NE2 3.29Å; W483-H492 AromaticContact CH2-NE2 3.69Å; W483-H492 AromaticContact CZ2-CE1 3.43Å; W483-H492 VanDerWaalsContact CZ2-CE1 3.43Å; W483-H492 WeakPolarHBondContact CZ2-CE1 3.31Å; W483-H492 AromaticContact CZ2-NE2 3.2Å; W483-H492 WeakPolarHBondContact CZ2-NE2 3.39Å; W483-H492 AromaticContact NE1-NE2 3.73Å; G488-H492 WeakPolarHBondContact O-CB 3.37Å; G488-H492 PolarHBondContact O-CD2 2.85Å; G488-H492 PolarHBondContact O-N 3.05Å; H492-R495 PolarHBondContact O-N 2.97Å; H492-A496 PolarHBondContact O-N 3.29Å; H492-E506 IonicContact CE1-OE1 3.95Å; H492-E506 IonicContact CE1-OE2 3.17Å
493K97.9Very high95.9Very high93 Ų9351.8 Ų51.840%0.40426%0.26SS..Hα-helixtrans-55.7-56.3172.1176.4-169.5168.8-164.80110.2D209 H489 L490 R495 A496 E497D209-K493 IonicContact OD2-NZ 3.46Å; D209-K493 PolarHBondContact OD2-NZ 2.87Å; H489-K493 WeakPolarHBondContact O-CB 3.33Å; H489-K493 PolarHBondContact O-N 3.39Å; L490-K493 PolarHBondContact O-N 3.17Å; K493-R495 VanDerWaalsContact C-N 3.3Å; K493-R495 PolarHBondContact O-N 2.8Å; K493-A496 WeakPolarHBondContact O-CB 3.21Å; K493-A496 PolarHBondContact O-N 3.49Å; K493-E497 WeakPolarHBondContact CE-OE1 3.22Å; K493-E497 WeakPolarHBondContact CG-OE1 3.49Å; K493-E497 PolarHBondContact O-N 3.01Å
494L98Very high95.9Very high8 Ų849.6 Ų49.64%0.04225%0.251CS..Hα-helixtrans-64.2-34.7-179-72.1173.8000112.8D209 L210 A213 L221 L490 Y491 A496 E497 L498D209-L494 HydrophobicContact CB-CD1 4.31Å; D209-L494 HydrophobicContact CB-CD2 4.1Å; D209-L494 WeakPolarHBondContact O-CD1 3.19Å; L210-L494 HydrophobicContact CB-CD1 4.48Å; L210-L494 HydrophobicContact CD1-CD1 4.43Å; A213-L494 HydrophobicContact CB-CD1 3.31Å; L221-L494 HydrophobicContact CD2-CB 4.39Å; L490-L494 HydrophobicContact CD1-CD1 4.32Å; L490-L494 HydrophobicContact CD1-CG 4.45Å; L490-L494 HydrophobicContact CG-CD1 4.31Å; L490-L494 WeakPolarHBondContact O-CG 3.34Å; L490-L494 PolarHBondContact O-N 2.76Å; Y491-L494 PolarHBondContact O-N 3.27Å; L494-A496 PolarHBondContact O-N 3.36Å; L494-E497 PolarHBondContact O-N 3.05Å; L494-L498 HydrophobicContact CB-CD1 4.22Å; L494-L498 HydrophobicContact CD2-CD1 4.28Å; L494-L498 VanDerWaalsContact O-CB 3.27Å; L494-L498 WeakPolarHBondContact O-CB 3.31Å; L494-L498 WeakPolarHBondContact O-CG 3.49Å; L494-L498 PolarHBondContact O-N 3.47Å
495R97.7Very high95.9Very high10 Ų1043.7 Ų43.74%0.03822%0.224CC..Hα-helixtrans-60-35174.6-78.5-178.163.380.6-0.6113.1T220 L221 Y491 H492 K493 C500 K501 F504 P505T220-R495 PolarHBondContact O-NH1 3.34Å; L221-R495 HydrophobicContact CD2-CG 3.52Å; Y491-R495 HydrophobicContact CE1-CG 4.37Å; Y491-R495 HydrophobicContact CE2-CG 4.38Å; Y491-R495 WeakPolarHBondContact O-CG 3.35Å; Y491-R495 PolarHBondContact O-N 2.82Å; Y491-R495 WeakPolarHBondContact OH-CD 3.33Å; H492-R495 PolarHBondContact O-N 2.97Å; K493-R495 VanDerWaalsContact C-N 3.3Å; K493-R495 PolarHBondContact O-N 2.8Å; R495-C500 HydrophobicContact CB-CB 4.02Å; R495-C500 HydrophobicContact CG-CB 3.87Å; R495-C500 PolarHBondContact NH2-O 2.96Å; R495-C500 PolarHBondContact O-N 2.83Å; R495-K501 HydrophobicContact CB-CG 4.26Å; R495-K501 PolarHBondContact O-N 2.82Å; R495-F504 PolarHBondContact NH2-O 3.24Å; R495-P505 PolarHBondContact NH1-O 3.33Å; R495-P505 VanDerWaalsContact NH1-O 3.12Å
496A97.4Very high96Very high56 Ų5644.4 Ų44.446%0.46323%0.227SC..Hα-helixtrans-74.4-47.9175.600000111.2H492 K493 L494 L498 G499H492-A496 PolarHBondContact O-N 3.29Å; K493-A496 WeakPolarHBondContact O-CB 3.21Å; K493-A496 PolarHBondContact O-N 3.49Å; L494-A496 PolarHBondContact O-N 3.36Å; A496-L498 PolarHBondContact O-N 2.86Å; A496-G499 PolarHBondContact O-N 3.47Å
497E97Very high96Very high121 Ų12144 Ų4457%0.56523%0.225SC*.Hα-helixtrans-65.7-35.8-176.4-69.5174.3174.100113.1K493 L494K493-E497 WeakPolarHBondContact CE-OE1 3.22Å; K493-E497 WeakPolarHBondContact CG-OE1 3.49Å; K493-E497 PolarHBondContact O-N 3.01Å; L494-E497 PolarHBondContact O-N 3.05Å
498L96.3Very high96Very high49 Ų4943.3 Ų43.326%0.25722%0.22SC..THydrogen-bonded Turntrans-96.48-175.4-55.5176.3000113.5L194 L210 L494 A496 C500L194-L498 HydrophobicContact CD1-CD2 4.16Å; L210-L498 HydrophobicContact CD1-CD1 4.05Å; L494-L498 HydrophobicContact CB-CD1 4.22Å; L494-L498 HydrophobicContact CD2-CD1 4.28Å; L494-L498 VanDerWaalsContact O-CB 3.27Å; L494-L498 WeakPolarHBondContact O-CB 3.31Å; L494-L498 WeakPolarHBondContact O-CG 3.49Å; L494-L498 PolarHBondContact O-N 3.47Å; A496-L498 PolarHBondContact O-N 2.86Å; L498-C500 VanDerWaalsContact C-N 3.26Å; L498-C500 PolarHBondContact O-N 2.81Å
499G94.8Very high95.9Very high30 Ų3045.6 Ų45.631%0.30923%0.23SC..THydrogen-bonded Turntrans63.429.2-178.800000113.8A496 A503A496-G499 PolarHBondContact O-N 3.47Å; G499-A503 WeakPolarHBondContact O-CB 3.18Å
500C96.1Very high95.7Very high0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-78.7-20.5-178.4-57.50000113.1R495 L498 E502 A503 F504R495-C500 HydrophobicContact CB-CB 4.02Å; R495-C500 HydrophobicContact CG-CB 3.87Å; R495-C500 PolarHBondContact NH2-O 2.96Å; R495-C500 PolarHBondContact O-N 2.83Å; L498-C500 VanDerWaalsContact C-N 3.26Å; L498-C500 PolarHBondContact O-N 2.81Å; C500-E502 VanDerWaalsContact C-N 3.25Å; C500-E502 PolarHBondContact O-N 3.49Å; C500-A503 PolarHBondContact O-N 3.4Å; C500-F504 HydrophobicContact CB-CD2 3.91Å; C500-F504 PolarHBondContact O-N 2.88Å; C500-F504 VanDerWaalsContact O-O 3.08Å
501K94.8Very high95.3Very high105 Ų10538.5 Ų38.546%0.45720%0.196SC..Hα-helixtrans-61-38-178.7-72.7-177.2177.9179.70111.7Y89 R495Y89-K501 VanDerWaalsContact CE1-O 3.24Å; Y89-K501 WeakPolarHBondContact CE1-O 3.43Å; R495-K501 HydrophobicContact CB-CG 4.26Å; R495-K501 PolarHBondContact O-N 2.82Å
502E92.3Very high94.9Very high122 Ų12238.6 Ų38.657%0.5720%0.197SC*.Hα-helixtrans-89.7-25.4179.2-56.475-164.400111.8Y89 C500Y89-E502 VanDerWaalsContact CD1-O 3.29Å; Y89-E502 WeakPolarHBondContact CD1-O 3.07Å; C500-E502 VanDerWaalsContact C-N 3.25Å; C500-E502 PolarHBondContact O-N 3.49Å
503A95.5Very high94.2Very high1 Ų137.4 Ų37.41%0.00819%0.191CC..Hα-helixtrans-91-28.7-174.700000114.6W81 Y89 M90 A195 G499 C500W81-A503 HydrophobicContact CH2-CB 3.67Å; W81-A503 HydrophobicContact CZ2-CB 4.44Å; W81-A503 HydrophobicContact CZ3-CB 4.14Å; Y89-A503 CarbonylContact C-O 3.55Å; M90-A503 HydrophobicContact CE-CB 3.89Å; M90-A503 PolarHBondContact N-O 3.29Å; A195-A503 HydrophobicContact CB-CB 3.44Å; A195-A503 VanDerWaalsContact CB-CB 3.44Å; G499-A503 WeakPolarHBondContact O-CB 3.18Å; C500-A503 PolarHBondContact O-N 3.4Å
504F96.3Very high93.5Very high1 Ų137.3 Ų37.30%0.00420%0.202CC..SBendtrans-138146.6-174-57.4-70.8000110.9M90 A195 T220 F223 R495 C500M90-F504 HydrophobicContact CB-CD1 4.18Å; M90-F504 HydrophobicContact CB-CE1 3.96Å; M90-F504 HydrophobicContact CE-CE1 4.02Å; M90-F504 HydrophobicContact CE-CZ 3.89Å; A195-F504 HydrophobicContact CB-CE2 4Å; T220-F504 WeakPolarHBondContact O-CB 3.46Å; T220-F504 WeakPolarHBondContact O-CD2 3.22Å; F223-F504 HydrophobicContact CD2-CZ 4.44Å; F223-F504 HydrophobicContact CE1-CE1 4.1Å; F223-F504 AromaticContact CE2-CE1 3.81Å; F223-F504 HydrophobicContact CE2-CE1 3.81Å; F223-F504 HydrophobicContact CE2-CZ 4.02Å; F223-F504 AromaticContact CZ-CE1 3.61Å; F223-F504 HydrophobicContact CZ-CE1 3.61Å; F223-F504 HydrophobicContact CZ-CZ 4.29Å; R495-F504 PolarHBondContact NH2-O 3.24Å; C500-F504 HydrophobicContact CB-CD2 3.91Å; C500-F504 PolarHBondContact O-N 2.88Å; C500-F504 VanDerWaalsContact O-O 3.08Å
505P94.4Very high92.6Very high4 Ų437.6 Ų37.63%0.02621%0.206CC..  trans-61.8162.2166.833.2-37.5000109.8Y89 T220 R495 D509 K510Y89-P505 HydrophobicContact CD2-CB 3.86Å; Y89-P505 HydrophobicContact CE2-CB 4.21Å; T220-P505 VanDerWaalsContact CB-O 3.29Å; T220-P505 WeakPolarHBondContact CB-O 3.47Å; T220-P505 WeakPolarHBondContact CG2-O 3.15Å; R495-P505 PolarHBondContact NH1-O 3.33Å; R495-P505 VanDerWaalsContact NH1-O 3.12Å; P505-D509 HydrophobicContact CB-CB 3.97Å; P505-K510 HydrophobicContact CB-CG 4.24Å; P505-K510 HydrophobicContact CG-CD 3.82Å; P505-K510 HydrophobicContact CG-CG 3.58Å
506E95.3Very high91.6Very high30 Ų3037.5 Ų37.514%0.1421%0.206CC..  trans-70.2160.9168.9-157.2-178.8115.500110.7R479 W483 Y491 H492 Y508 D509 K510R479-E506 IonicContact NH1-OE1 2.72Å; R479-E506 PolarHBondContact NH1-OE1 3.49Å; R479-E506 IonicContact NH1-OE2 3.22Å; R479-E506 PolarHBondContact NH1-OE2 2.75Å; W483-E506 HydrophobicContact CZ2-CG 4.34Å; W483-E506 WeakPolarHBondContact CZ2-OE1 3.37Å; W483-E506 PolarHBondContact NE1-OE1 3.25Å; Y491-E506 HydrophobicContact CE1-CG 3.89Å; H492-E506 IonicContact CE1-OE1 3.95Å; H492-E506 IonicContact CE1-OE2 3.17Å; E506-Y508 VanDerWaalsContact C-N 3.27Å; E506-Y508 PolarHBondContact O-N 3.21Å; E506-D509 WeakPolarHBondContact CB-OD2 3.15Å; E506-D509 PolarHBondContact N-OD2 3.42Å; E506-D509 PolarHBondContact O-N 2.99Å; E506-D509 VanDerWaalsContact O-N 3.13Å; E506-K510 PolarHBondContact O-N 3.44Å
507V95Very high89.8Confident0 Ų038.6 Ų38.60%020%0.201CC..Hα-helixtrans-54.1-46175.4620000111C218 M423 L471 F482 W483 Y491 D509 K510 I511C218-V507 HydrophobicContact CB-CG2 4.09Å; M423-V507 HydrophobicContact CE-CG1 4.23Å; L471-V507 HydrophobicContact CD1-CG2 3.89Å; F482-V507 HydrophobicContact CE1-CG1 3.69Å; F482-V507 HydrophobicContact CZ-CG1 3.67Å; F482-V507 HydrophobicContact CZ-CG2 4.26Å; W483-V507 HydrophobicContact CH2-CG1 3.92Å; W483-V507 HydrophobicContact CZ2-CG1 3.87Å; Y491-V507 HydrophobicContact CE1-CG1 4.14Å; Y491-V507 PolarHBondContact OH-N 3.43Å; V507-D509 VanDerWaalsContact C-N 3.32Å; V507-D509 PolarHBondContact O-N 2.84Å; V507-K510 PolarHBondContact O-N 3.48Å; V507-K510 VanDerWaalsContact O-N 3.07Å; V507-I511 VanDerWaalsContact O-CG1 3.22Å; V507-I511 WeakPolarHBondContact O-CG1 3.35Å; V507-I511 PolarHBondContact O-N 2.88Å
508Y94.8Very high89.4Confident29 Ų2934.5 Ų34.511%0.11418%0.183CC..Hα-helixtrans-57.9-42.4177.5178.4-96.2000112.4M477 D478 R479 F482 E506 K510 I511 C512M477-Y508 PolarHBondContact O-OH 3.21Å; M477-Y508 VanDerWaalsContact O-OH 3.09Å; D478-Y508 VanDerWaalsContact C-CE2 3.45Å; D478-Y508 WeakPolarHBondContact CA-OH 3.38Å; D478-Y508 WeakPolarHBondContact O-CE2 3.32Å; R479-Y508 HydrophobicContact CB-CD1 3.9Å; R479-Y508 HydrophobicContact CB-CD2 4.4Å; R479-Y508 HydrophobicContact CB-CE1 3.79Å; R479-Y508 HydrophobicContact CB-CE2 4.33Å; R479-Y508 HydrophobicContact CB-CG 4.19Å; R479-Y508 HydrophobicContact CG-CD1 4Å; R479-Y508 HydrophobicContact CG-CE1 4.41Å; R479-Y508 HydrophobicContact CG-CG 4.07Å; R479-Y508 VanDerWaalsContact CZ-CD1 3.47Å; R479-Y508 PolarHBondContact N-OH 3.35Å; F482-Y508 HydrophobicContact CB-CD2 3.65Å; F482-Y508 HydrophobicContact CB-CE2 4.07Å; F482-Y508 HydrophobicContact CD1-CD2 4.25Å; F482-Y508 HydrophobicContact CD2-CD2 4.16Å; F482-Y508 AromaticContact CG-CD2 3.76Å; F482-Y508 HydrophobicContact CG-CD2 3.76Å; E506-Y508 VanDerWaalsContact C-N 3.27Å; E506-Y508 PolarHBondContact O-N 3.21Å; Y508-K510 PolarHBondContact O-N 3.31Å; Y508-K510 VanDerWaalsContact O-N 3.14Å; Y508-I511 HydrophobicContact CD2-CD1 4.23Å; Y508-I511 PolarHBondContact O-N 2.96Å; Y508-C512 HydrophobicContact CD1-CB 4.26Å; Y508-C512 HydrophobicContact CD2-CB 4.24Å; Y508-C512 HydrophobicContact CE1-CB 3.76Å; Y508-C512 HydrophobicContact CE2-CB 3.71Å; Y508-C512 VanDerWaalsContact CZ-CB 3.45Å; Y508-C512 WeakPolarHBondContact O-CB 3.15Å; Y508-C512 PolarHBondContact O-N 3.26Å; Y508-C512 PolarHBondContact O-SG 3.03Å
509D92.7Very high89.1Confident57 Ų5733.7 Ų33.731%0.30518%0.179SC..Hα-helixtrans-67.1-15-179.9-65.4-54.3000113.8R479 P505 E506 V507 A515R479-D509 IonicContact CZ-OD1 3.79Å; R479-D509 IonicContact CZ-OD2 3.05Å; R479-D509 IonicContact NH1-OD1 2.69Å; R479-D509 IonicContact NH1-OD2 3.74Å; R479-D509 PolarHBondContact NH1-OD2 3.19Å; R479-D509 VanDerWaalsContact NH2-CG 3.29Å; R479-D509 IonicContact NH2-OD1 3.95Å; R479-D509 PolarHBondContact NH2-OD1 2.79Å; R479-D509 IonicContact NH2-OD2 3.07Å; R479-D509 PolarHBondContact NH2-OD2 2.81Å; P505-D509 HydrophobicContact CB-CB 3.97Å; E506-D509 WeakPolarHBondContact CB-OD2 3.15Å; E506-D509 PolarHBondContact N-OD2 3.42Å; E506-D509 PolarHBondContact O-N 2.99Å; E506-D509 VanDerWaalsContact O-N 3.13Å; V507-D509 VanDerWaalsContact C-N 3.32Å; V507-D509 PolarHBondContact O-N 2.84Å; D509-A515 WeakPolarHBondContact O-CB 3.27Å
510K89.8Confident88.7Confident20 Ų2033.9 Ų33.99%0.08717%0.171CC..Hα-helixtrans-92.4-27.1173.2-66.2-176.868.4174.30112.9Y107 C218 T220 P505 E506 V507 Y508Y107-K510 HydrophobicContact CE1-CB 4.27Å; Y107-K510 HydrophobicContact CE1-CG 4.38Å; C218-K510 PolarHBondContact O-NZ 2.81Å; T220-K510 HydrophobicContact CG2-CD 3.43Å; T220-K510 VanDerWaalsContact CG2-CD 3.43Å; T220-K510 HydrophobicContact CG2-CG 4.38Å; P505-K510 HydrophobicContact CB-CG 4.24Å; P505-K510 HydrophobicContact CG-CD 3.82Å; P505-K510 HydrophobicContact CG-CG 3.58Å; E506-K510 PolarHBondContact O-N 3.44Å; V507-K510 PolarHBondContact O-N 3.48Å; V507-K510 VanDerWaalsContact O-N 3.07Å; Y508-K510 PolarHBondContact O-N 3.31Å; Y508-K510 VanDerWaalsContact O-N 3.14Å
511I89.5Confident88.3Confident4 Ų435.9 Ų35.92%0.02118%0.181CC..Hα-helixtrans-108.5-23.9-167.864.891.8000112.7L471 V475 F482 V507 Y508 R516L471-I511 HydrophobicContact CB-CG2 4.26Å; L471-I511 HydrophobicContact CD2-CD1 4.32Å; V475-I511 HydrophobicContact CB-CD1 3.91Å; V475-I511 HydrophobicContact CG1-CD1 3.69Å; V475-I511 HydrophobicContact CG2-CD1 3.84Å; F482-I511 HydrophobicContact CD2-CD1 3.75Å; F482-I511 HydrophobicContact CE2-CD1 3.68Å; F482-I511 HydrophobicContact CE2-CG1 4.21Å; V507-I511 VanDerWaalsContact O-CG1 3.22Å; V507-I511 WeakPolarHBondContact O-CG1 3.35Å; V507-I511 PolarHBondContact O-N 2.88Å; Y508-I511 HydrophobicContact CD2-CD1 4.23Å; Y508-I511 PolarHBondContact O-N 2.96Å; I511-R516 PolarHBondContact O-NE 3.4Å; I511-R516 PolarHBondContact O-NH2 2.85Å
512C89.6Confident87.9Confident4 Ų431.6 Ų31.63%0.02716%0.164CC..BIsolated β-bridgetrans-61.5152.9-179.867.90000112.2Y508 S514 A515Y508-C512 HydrophobicContact CD1-CB 4.26Å; Y508-C512 HydrophobicContact CD2-CB 4.24Å; Y508-C512 HydrophobicContact CE1-CB 3.76Å; Y508-C512 HydrophobicContact CE2-CB 3.71Å; Y508-C512 VanDerWaalsContact CZ-CB 3.45Å; Y508-C512 WeakPolarHBondContact O-CB 3.15Å; Y508-C512 PolarHBondContact O-N 3.26Å; Y508-C512 PolarHBondContact O-SG 3.03Å; C512-S514 PolarHBondContact O-N 3.46Å; C512-S514 PolarHBondContact SG-OG 2.91Å; C512-A515 WeakPolarHBondContact O-CB 3.48Å; C512-A515 PolarHBondContact O-N 2.81Å; C512-A515 VanDerWaalsContact O-N 3.12Å
513K83.1Confident87.6Confident42 Ų4225.5 Ų25.518%0.18314%0.137CC..G310 helixtrans-57.6-35.1-177.7-172.970.9178.7-177.60112.6E379 D474 V475 Y476 A515 R516E379-K513 WeakPolarHBondContact OE2-CE 3.35Å; E379-K513 IonicContact OE2-NZ 2.94Å; E379-K513 PolarHBondContact OE2-NZ 2.94Å; D474-K513 IonicContact OD1-NZ 3.12Å; D474-K513 PolarHBondContact OD1-NZ 3.45Å; D474-K513 IonicContact OD2-NZ 3.98Å; D474-K513 PolarHBondContact OD2-NZ 3.44Å; V475-K513 WeakPolarHBondContact O-CB 3.12Å; V475-K513 PolarHBondContact O-N 3.2Å; Y476-K513 HydrophobicContact CD1-CB 4.16Å; Y476-K513 HydrophobicContact CD1-CG 4.16Å; Y476-K513 HydrophobicContact CE1-CB 4.24Å; Y476-K513 HydrophobicContact CE1-CD 4.06Å; Y476-K513 HydrophobicContact CE1-CG 3.72Å; K513-A515 VanDerWaalsContact C-N 3.28Å; K513-A515 PolarHBondContact O-N 3.26Å; K513-R516 WeakPolarHBondContact O-CB 3.45Å; K513-R516 PolarHBondContact O-N 2.88Å
514S82.6Confident87.1Confident91 Ų9127.3 Ų27.364%0.63615%0.146SC*.G310 helixtrans-66.2-28.4179.9600000113.4K106 C512 R516K106-S514 PolarHBondContact NZ-O 3.35Å; K106-S514 VanDerWaalsContact NZ-O 3.12Å; C512-S514 PolarHBondContact O-N 3.46Å; C512-S514 PolarHBondContact SG-OG 2.91Å; S514-R516 PolarHBondContact O-N 2.97Å
515A79.5Confident86.3Confident14 Ų1429.3 Ų29.312%0.11616%0.157CC..G310 helixtrans-73.3-6.4174.400000113.7K106 D509 C512 K513K106-A515 WeakPolarHBondContact CB-O 3.16Å; K106-A515 PolarHBondContact N-O 3.41Å; D509-A515 WeakPolarHBondContact O-CB 3.27Å; C512-A515 WeakPolarHBondContact O-CB 3.48Å; C512-A515 PolarHBondContact O-N 2.81Å; C512-A515 VanDerWaalsContact O-N 3.12Å; K513-A515 VanDerWaalsContact C-N 3.28Å; K513-A515 PolarHBondContact O-N 3.26Å
516R76.6Confident85.7Confident8 Ų831.4 Ų31.43%0.0317%0.168CC..BIsolated β-bridgetrans-103.2149.2-179.6-52177.9-163.1-167.37.4110R103 K106 A473 D474 I511 K513 S514R103-R516 VanDerWaalsContact CD-NH1 3.29Å; R103-R516 VanDerWaalsContact CG-NH1 3.32Å; R103-R516 VanDerWaalsContact NE-NH2 3.2Å; K106-R516 WeakPolarHBondContact CD-O 3.27Å; K106-R516 WeakPolarHBondContact CE-O 3.38Å; K106-R516 PolarHBondContact NZ-O 2.88Å; A473-R516 VanDerWaalsContact O-CZ 3.26Å; A473-R516 PolarHBondContact O-NH1 3.43Å; A473-R516 PolarHBondContact O-NH2 3.04Å; D474-R516 VanDerWaalsContact CA-NH1 3.3Å; D474-R516 IonicContact OD1-CZ 2.96Å; D474-R516 IonicContact OD1-NH1 3.32Å; D474-R516 PolarHBondContact OD1-NH1 2.93Å; I511-R516 PolarHBondContact O-NE 3.4Å; I511-R516 PolarHBondContact O-NH2 2.85Å; K513-R516 WeakPolarHBondContact O-CB 3.45Å; K513-R516 PolarHBondContact O-N 2.88Å; S514-R516 PolarHBondContact O-N 2.97Å
517H59.8Low84.8Confident78 Ų7831.5 Ų31.536%0.36117%0.171SC..  trans-66.40171.2-84.6-67.2000111.4V104 K106 K109 R375V104-H517 HydrophobicContact CB-CB 4.46Å; V104-H517 PolarHBondContact O-N 3.28Å; K106-H517 VanDerWaalsContact CG-CE1 3.49Å; K106-H517 WeakPolarHBondContact CG-CE1 3.3Å; K109-H517 PolarHBondContact NZ-CE1 3.29Å; K109-H517 PolarHBondContact NZ-NE2 3.5Å; R375-H517 VanDerWaalsContact CZ-C 3.42Å; R375-H517 VanDerWaalsContact NH1-CB 3.29Å; R375-H517 PolarHBondContact NH2-O 3.1Å; R375-H517 PolarHBondContact NH2-OXT 2.66Å

Retrieved 517 of 517 residues in 526.8 ms (Link to these results)

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