A0A087XED2_POEFO Loading...

Aldehyde dehydrogenase 1 family, member A2

AlphaFold DB , UniProt , Accession A0A087XED2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 422 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
1M96.9Very high98.6Very high131 Ų13163.6 Ų63.665%0.64533%0.327SS*.  0134.90176.9-172.3-55.300107.4E5 R6 L9 P136M1-E5 HydrophobicContact CG-CB 3.59Å; M1-E5 HydrophobicContact SD-CB 4.07Å; M1-R6 HydrophobicContact CG-CG 4.31Å; M1-R6 HydrophobicContact SD-CB 4.4Å; M1-R6 HydrophobicContact SD-CG 3.64Å; M1-L9 HydrophobicContact CE-CD1 3.62Å; M1-L9 HydrophobicContact SD-CD1 3.72Å; M1-P136 HydrophobicContact CE-CG 3.64Å
2D98.6Very high98.7Very high115 Ų11566.4 Ų66.462%0.61534%0.335SS*.  trans-62.2153.2176.8-63.1-19.2000111.3S4 E5 R6D2-S4 VanDerWaalsContact C-N 3.29Å; D2-S4 PolarHBondContact O-N 2.92Å; D2-E5 HydrophobicContact CB-CB 4.49Å; D2-E5 HydrophobicContact CB-CG 4.2Å; D2-E5 PolarHBondContact O-N 3.08Å; D2-R6 PolarHBondContact O-N 3.35Å
3A98.7Very high98.7Very high33 Ų3361.4 Ų61.427%0.27331%0.309SS..Hα-helixtrans-62.3-38.9-179.500000112.4E5 R6 G7 A58 D59A3-E5 VanDerWaalsContact C-N 3.35Å; A3-E5 PolarHBondContact O-N 3.01Å; A3-R6 WeakPolarHBondContact O-CB 3.42Å; A3-R6 PolarHBondContact O-N 3.46Å; A3-G7 PolarHBondContact O-N 3.41Å; A3-A58 WeakPolarHBondContact CB-O 3.46Å; A3-A58 VanDerWaalsContact O-CB 3.23Å; A3-A58 WeakPolarHBondContact O-CB 3.39Å; A3-D59 HydrophobicContact CB-CB 3.94Å
4S98.8Very high98.7Very high50 Ų5057 Ų5735%0.3529%0.287SS..Hα-helixtrans-62.3-38.2174.751.30000112.8D2 R6 G7 R8D2-S4 VanDerWaalsContact C-N 3.29Å; D2-S4 PolarHBondContact O-N 2.92Å; S4-R6 VanDerWaalsContact C-N 3.35Å; S4-R6 PolarHBondContact O-N 3.11Å; S4-G7 CarbonylContact O-C 3.57Å; S4-G7 WeakPolarHBondContact O-CA 3.33Å; S4-G7 PolarHBondContact O-N 2.83Å; S4-G7 VanDerWaalsContact O-N 3.09Å; S4-R8 PolarHBondContact O-N 3.26Å
5E98.8Very high98.7Very high83 Ų8358.1 Ų58.139%0.38829%0.294SS..Hα-helixtrans-67.8-32.9178.2-68.8-55.8123.100112.3M1 D2 A3 G7 R8 L9M1-E5 HydrophobicContact CG-CB 3.59Å; M1-E5 HydrophobicContact SD-CB 4.07Å; D2-E5 HydrophobicContact CB-CB 4.49Å; D2-E5 HydrophobicContact CB-CG 4.2Å; D2-E5 PolarHBondContact O-N 3.08Å; A3-E5 VanDerWaalsContact C-N 3.35Å; A3-E5 PolarHBondContact O-N 3.01Å; E5-G7 VanDerWaalsContact C-N 3.28Å; E5-G7 PolarHBondContact O-N 3.47Å; E5-R8 PolarHBondContact O-N 3.24Å; E5-R8 WeakPolarHBondContact OE1-CD 3.47Å; E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 2.88Å
6R98.8Very high98.7Very high52 Ų5254.8 Ų54.820%0.19628%0.278CS..Hα-helixtrans-60.5-42169-61.2-165.6-56.6-86.6-0.5111.1M1 D2 A3 S4 L9 L10 A58 V105 A106M1-R6 HydrophobicContact CG-CG 4.31Å; M1-R6 HydrophobicContact SD-CB 4.4Å; M1-R6 HydrophobicContact SD-CG 3.64Å; D2-R6 PolarHBondContact O-N 3.35Å; A3-R6 WeakPolarHBondContact O-CB 3.42Å; A3-R6 PolarHBondContact O-N 3.46Å; S4-R6 VanDerWaalsContact C-N 3.35Å; S4-R6 PolarHBondContact O-N 3.11Å; R6-L9 PolarHBondContact O-N 2.74Å; R6-L10 PolarHBondContact O-N 2.82Å; R6-L10 VanDerWaalsContact O-N 3.1Å; R6-A58 HydrophobicContact CB-CB 4.21Å; R6-A58 PolarHBondContact NH2-O 2.72Å; R6-V105 WeakPolarHBondContact CD-O 3.17Å; R6-V105 PolarHBondContact NE-O 3.36Å; R6-A106 PolarHBondContact NE-O 2.65Å; R6-A106 PolarHBondContact NH2-O 3.49Å
7G98.8Very high98.7Very high7 Ų751.6 Ų51.67%0.07226%0.261CS..Hα-helixtrans-59.7-45.4173.500000112.2A3 S4 E5 L9 L10 A11 A55A3-G7 PolarHBondContact O-N 3.41Å; S4-G7 CarbonylContact O-C 3.57Å; S4-G7 WeakPolarHBondContact O-CA 3.33Å; S4-G7 PolarHBondContact O-N 2.83Å; S4-G7 VanDerWaalsContact O-N 3.09Å; E5-G7 VanDerWaalsContact C-N 3.28Å; E5-G7 PolarHBondContact O-N 3.47Å; G7-L9 VanDerWaalsContact C-N 3.35Å; G7-L9 PolarHBondContact O-N 3.08Å; G7-L10 PolarHBondContact O-N 3.04Å; G7-A11 WeakPolarHBondContact O-CB 3.11Å; G7-A11 PolarHBondContact O-N 2.98Å; G7-A55 VanDerWaalsContact CA-O 3.27Å; G7-A55 WeakPolarHBondContact CA-O 3.29Å; G7-A55 VanDerWaalsContact O-CB 3.29Å; G7-A55 WeakPolarHBondContact O-CB 3.28Å
8R98.9Very high98.7Very high169 Ų16953.1 Ų53.164%0.63827%0.267SS*.Hα-helixtrans-59.9-41.1176.2-70.2-175.968.4107.12.9112.9S4 E5 A11 K12S4-R8 PolarHBondContact O-N 3.26Å; E5-R8 PolarHBondContact O-N 3.24Å; E5-R8 WeakPolarHBondContact OE1-CD 3.47Å; R8-A11 PolarHBondContact O-N 2.64Å; R8-K12 WeakPolarHBondContact O-CB 3.38Å; R8-K12 PolarHBondContact O-N 3.08Å
9L98.9Very high98.8Very high26 Ų2657.3 Ų57.314%0.13628%0.279CS..Hα-helixtrans-65.4-41.1176.9-69.1174.7000112.2M1 E5 R6 G7 K12 L13 A133 F135M1-L9 HydrophobicContact CE-CD1 3.62Å; M1-L9 HydrophobicContact SD-CD1 3.72Å; E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 2.88Å; R6-L9 PolarHBondContact O-N 2.74Å; G7-L9 VanDerWaalsContact C-N 3.35Å; G7-L9 PolarHBondContact O-N 3.08Å; L9-K12 PolarHBondContact O-N 3.34Å; L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 PolarHBondContact O-N 2.97Å; L9-A133 WeakPolarHBondContact CD2-O 3.26Å; L9-F135 HydrophobicContact CB-CD1 4.19Å; L9-F135 HydrophobicContact CB-CD2 4.46Å; L9-F135 HydrophobicContact CB-CE1 3.61Å; L9-F135 HydrophobicContact CB-CE2 3.95Å; L9-F135 HydrophobicContact CB-CZ 3.51Å; L9-F135 HydrophobicContact CD1-CD1 3.95Å; L9-F135 HydrophobicContact CD1-CE1 4.08Å; L9-F135 HydrophobicContact CD1-CG 4.44Å; L9-F135 HydrophobicContact CG-CE1 4.49Å
10L98.9Very high98.8Very high0 Ų055.5 Ų55.50%027%0.271CS..Hα-helixtrans-64.6-41.8174.3-77.3171.9000112.1R6 G7 L13 A14 L51 A55 L101 A102 V105 A106 F135R6-L10 PolarHBondContact O-N 2.82Å; R6-L10 VanDerWaalsContact O-N 3.1Å; G7-L10 PolarHBondContact O-N 3.04Å; L10-L13 PolarHBondContact O-N 3.4Å; L10-A14 PolarHBondContact O-N 2.93Å; L10-L51 HydrophobicContact CD2-CD2 4.26Å; L10-A55 HydrophobicContact CB-CB 3.69Å; L10-L101 HydrophobicContact CD2-CD2 4.12Å; L10-A102 HydrophobicContact CD2-CB 4.49Å; L10-V105 HydrophobicContact CD1-CB 4.48Å; L10-V105 HydrophobicContact CD1-CG1 4.18Å; L10-V105 HydrophobicContact CD2-CB 4.23Å; L10-V105 HydrophobicContact CD2-CG1 4Å; L10-V105 HydrophobicContact CG-CG1 4Å; L10-A106 HydrophobicContact CD1-CB 3.92Å; L10-F135 HydrophobicContact CD2-CZ 4.18Å; L10-F135 HydrophobicContact CG-CZ 4.34Å
11A98.9Very high98.8Very high34 Ų3453.4 Ų53.428%0.28126%0.262SS..Hα-helixtrans-62.6-44.1174.700000111.2G7 R8 L13 A14 D15 A55G7-A11 WeakPolarHBondContact O-CB 3.11Å; G7-A11 PolarHBondContact O-N 2.98Å; R8-A11 PolarHBondContact O-N 2.64Å; A11-L13 VanDerWaalsContact C-N 3.33Å; A11-L13 PolarHBondContact O-N 2.91Å; A11-A14 WeakPolarHBondContact O-CB 3.2Å; A11-A14 PolarHBondContact O-N 3.2Å; A11-A14 VanDerWaalsContact O-N 3.1Å; A11-D15 PolarHBondContact O-N 3.35Å; A11-A55 HydrophobicContact CB-CB 4.09Å
12K98.9Very high98.8Very high97 Ų9751.5 Ų51.542%0.42226%0.258SS..Hα-helixtrans-61.2-41.5176.1-178.359.1178.5176.10112R8 L9 A14 D15 L16 A133R8-K12 WeakPolarHBondContact O-CB 3.38Å; R8-K12 PolarHBondContact O-N 3.08Å; L9-K12 PolarHBondContact O-N 3.34Å; K12-A14 VanDerWaalsContact C-N 3.31Å; K12-A14 PolarHBondContact O-N 2.8Å; K12-D15 PolarHBondContact O-N 3.03Å; K12-L16 WeakPolarHBondContact O-CG 3.36Å; K12-L16 PolarHBondContact O-N 2.93Å; K12-A133 HydrophobicContact CB-CB 4.45Å; K12-A133 HydrophobicContact CG-CB 4.08Å
13L98.9Very high98.9Very high1 Ų152 Ų521%0.00525%0.252CS..Hα-helixtrans-61.3-41.2173.9179.560.5000111.5L9 L10 A11 D15 L16 V17 L51 L101 L129 T130 A133 F135L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 PolarHBondContact O-N 2.97Å; L10-L13 PolarHBondContact O-N 3.4Å; A11-L13 VanDerWaalsContact C-N 3.33Å; A11-L13 PolarHBondContact O-N 2.91Å; L13-D15 VanDerWaalsContact C-N 3.31Å; L13-D15 PolarHBondContact O-N 3.37Å; L13-L16 PolarHBondContact O-N 2.76Å; L13-V17 HydrophobicContact CD1-CG2 4.39Å; L13-V17 WeakPolarHBondContact O-CG2 3.19Å; L13-V17 PolarHBondContact O-N 3.14Å; L13-L51 HydrophobicContact CD2-CD1 4.48Å; L13-L51 HydrophobicContact CD2-CD2 3.99Å; L13-L51 HydrophobicContact CG-CD1 4.18Å; L13-L101 HydrophobicContact CD2-CD2 4.15Å; L13-L129 HydrophobicContact CD1-CB 3.68Å; L13-T130 HydrophobicContact CD1-CG2 4Å; L13-T130 HydrophobicContact CD2-CG2 3.83Å; L13-A133 HydrophobicContact CB-CB 4.28Å; L13-F135 HydrophobicContact CB-CE2 4.13Å; L13-F135 HydrophobicContact CD2-CE2 4.13Å
14A98.9Very high98.9Very high0 Ų050.4 Ų50.40%024%0.239CC..Hα-helixtrans-60.1-41.5175.100000112L10 A11 K12 L16 V17 E18 I48 L51 R52L10-A14 PolarHBondContact O-N 2.93Å; A11-A14 WeakPolarHBondContact O-CB 3.2Å; A11-A14 PolarHBondContact O-N 3.2Å; A11-A14 VanDerWaalsContact O-N 3.1Å; K12-A14 VanDerWaalsContact C-N 3.31Å; K12-A14 PolarHBondContact O-N 2.8Å; A14-L16 VanDerWaalsContact C-N 3.34Å; A14-L16 PolarHBondContact O-N 3.09Å; A14-V17 PolarHBondContact O-N 3.41Å; A14-E18 WeakPolarHBondContact O-CB 3.33Å; A14-E18 PolarHBondContact O-N 2.94Å; A14-I48 HydrophobicContact CB-CG2 4.47Å; A14-L51 HydrophobicContact CB-CB 3.71Å; A14-L51 HydrophobicContact CB-CD1 4.22Å; A14-R52 HydrophobicContact CB-CG 3.64Å
15D98.9Very high98.9Very high74 Ų7448 Ų4840%0.39622%0.222SC..Hα-helixtrans-65.6-36.2177.4-61.5-22.1000112.3A11 K12 L13 E18 R19 R52A11-D15 PolarHBondContact O-N 3.35Å; K12-D15 PolarHBondContact O-N 3.03Å; L13-D15 VanDerWaalsContact C-N 3.31Å; L13-D15 PolarHBondContact O-N 3.37Å; D15-E18 PolarHBondContact O-N 2.89Å; D15-R19 WeakPolarHBondContact O-CB 3.31Å; D15-R19 PolarHBondContact O-N 3.25Å; D15-R52 IonicContact OD1-CZ 3.65Å; D15-R52 IonicContact OD1-NE 3.4Å; D15-R52 IonicContact OD1-NH2 2.74Å; D15-R52 PolarHBondContact OD1-NH2 3.26Å
16L98.9Very high98.9Very high5 Ų546.7 Ų46.73%0.02622%0.22CC..Hα-helixtrans-70.7-39.8175.6-66.4177.5000112.1K12 L13 A14 E18 R19 D20 L129 E132 A133K12-L16 WeakPolarHBondContact O-CG 3.36Å; K12-L16 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 2.76Å; A14-L16 VanDerWaalsContact C-N 3.34Å; A14-L16 PolarHBondContact O-N 3.09Å; L16-E18 VanDerWaalsContact C-N 3.31Å; L16-R19 WeakPolarHBondContact O-CB 3.38Å; L16-R19 PolarHBondContact O-N 3.34Å; L16-D20 PolarHBondContact O-N 3.46Å; L16-L129 HydrophobicContact CB-CB 4.4Å; L16-L129 HydrophobicContact CB-CD1 4.38Å; L16-L129 HydrophobicContact CB-CD2 4.3Å; L16-L129 WeakPolarHBondContact CD1-O 3.41Å; L16-E132 HydrophobicContact CD1-CB 3.87Å; L16-E132 HydrophobicContact CD1-CG 3.84Å; L16-E132 HydrophobicContact CD2-CG 4.34Å; L16-E132 WeakPolarHBondContact CD2-OE1 3.13Å; L16-A133 HydrophobicContact CD1-CB 3.94Å
17V98.9Very high98.8Very high0 Ų045.3 Ų45.30%022%0.216CC..Hα-helixtrans-62.6-41.7172170.30000110.3L13 A14 D20 S21 L24 L44 T47 I48 L51 L129L13-V17 HydrophobicContact CD1-CG2 4.39Å; L13-V17 WeakPolarHBondContact O-CG2 3.19Å; L13-V17 PolarHBondContact O-N 3.14Å; A14-V17 PolarHBondContact O-N 3.41Å; V17-D20 CarbonylContact O-C 3.6Å; V17-D20 PolarHBondContact O-N 2.77Å; V17-S21 WeakPolarHBondContact O-CA 3.49Å; V17-S21 PolarHBondContact O-N 2.9Å; V17-S21 PolarHBondContact O-OG 3.06Å; V17-L24 HydrophobicContact CB-CD1 4.33Å; V17-L24 HydrophobicContact CG1-CD1 3.87Å; V17-L24 HydrophobicContact CG2-CD1 4.36Å; V17-L44 HydrophobicContact CG1-CD1 3.81Å; V17-T47 HydrophobicContact CG1-CG2 4Å; V17-I48 HydrophobicContact CB-CG1 4.41Å; V17-I48 HydrophobicContact CG1-CD1 4.44Å; V17-I48 HydrophobicContact CG1-CG1 3.77Å; V17-L51 HydrophobicContact CG2-CD1 4.09Å; V17-L129 HydrophobicContact CG2-CD1 3.85Å
18E98.9Very high98.8Very high79 Ų7945 Ų4537%0.36921%0.212SC..Hα-helixtrans-63.7-46.1176.9-171.2169.4-109.100111.5A14 D15 L16 D20 S21 I48 R52A14-E18 WeakPolarHBondContact O-CB 3.33Å; A14-E18 PolarHBondContact O-N 2.94Å; D15-E18 PolarHBondContact O-N 2.89Å; L16-E18 VanDerWaalsContact C-N 3.31Å; E18-D20 VanDerWaalsContact C-N 3.26Å; E18-D20 PolarHBondContact O-N 3.36Å; E18-S21 VanDerWaalsContact CA-OG 3.3Å; E18-S21 WeakPolarHBondContact CA-OG 3.49Å; E18-S21 WeakPolarHBondContact O-CB 3.34Å; E18-S21 PolarHBondContact O-N 3.39Å; E18-S21 PolarHBondContact O-OG 3.38Å; E18-I48 HydrophobicContact CB-CD1 3.85Å; E18-I48 HydrophobicContact CB-CG1 4.35Å; E18-I48 HydrophobicContact CG-CD1 4.09Å; E18-R52 VanDerWaalsContact CD-NH2 3.33Å; E18-R52 IonicContact OE1-CZ 3.95Å; E18-R52 IonicContact OE1-NH1 3.99Å; E18-R52 PolarHBondContact OE1-NH1 3.32Å; E18-R52 IonicContact OE1-NH2 3Å; E18-R52 PolarHBondContact OE1-NH2 3.46Å; E18-R52 IonicContact OE2-CZ 3.96Å; E18-R52 IonicContact OE2-NH1 2.64Å; E18-R52 IonicContact OE2-NH2 2.69Å; E18-R52 PolarHBondContact OE2-NH2 2.79Å
19R98.9Very high98.8Very high132 Ų13236.9 Ų36.950%0.49818%0.182SC..Hα-helixtrans-52.5-45173.5-177.4-164.670.8-163.4-6.4111.7D15 L16 E132D15-R19 WeakPolarHBondContact O-CB 3.31Å; D15-R19 PolarHBondContact O-N 3.25Å; L16-R19 WeakPolarHBondContact O-CB 3.38Å; L16-R19 PolarHBondContact O-N 3.34Å; R19-E132 IonicContact CZ-OE1 2.83Å; R19-E132 IonicContact CZ-OE2 3.72Å; R19-E132 IonicContact NH1-OE1 2.73Å; R19-E132 PolarHBondContact NH1-OE1 3.24Å; R19-E132 IonicContact NH1-OE2 3.97Å; R19-E132 PolarHBondContact NH1-OE2 2.84Å; R19-E132 IonicContact NH2-OE1 3.24Å; R19-E132 IonicContact NH2-OE2 2.74Å; R19-E132 PolarHBondContact NH2-OE2 3.16Å
20D98.9Very high98.8Very high22 Ų2241.5 Ų41.512%0.11821%0.206CC..THydrogen-bonded Turntrans-95.415.1-174.4-65.5-4.8000113.1L16 V17 E18 V22 Y23 L24 Y125 L129L16-D20 PolarHBondContact O-N 3.46Å; V17-D20 CarbonylContact O-C 3.6Å; V17-D20 PolarHBondContact O-N 2.77Å; E18-D20 VanDerWaalsContact C-N 3.26Å; E18-D20 PolarHBondContact O-N 3.36Å; D20-V22 VanDerWaalsContact C-N 3.32Å; D20-V22 PolarHBondContact O-N 2.93Å; D20-Y23 WeakPolarHBondContact O-CB 3.36Å; D20-Y23 PolarHBondContact O-N 3.49Å; D20-L24 HydrophobicContact CB-CD1 4.41Å; D20-L24 HydrophobicContact CB-CG 4.48Å; D20-L24 PolarHBondContact O-N 3.41Å; D20-Y125 HydrophobicContact CB-CE1 4Å; D20-Y125 WeakPolarHBondContact OD2-CE1 3.36Å; D20-Y125 PolarHBondContact OD2-OH 3.01Å; D20-L129 WeakPolarHBondContact OD2-CD2 3.32Å
21S98.8Very high98.8Very high12 Ų1243.1 Ų43.18%0.08422%0.215CC..Hα-helixtrans-52.7-45-171.6-65.90000113.7V17 E18 A25V17-S21 WeakPolarHBondContact O-CA 3.49Å; V17-S21 PolarHBondContact O-N 2.9Å; V17-S21 PolarHBondContact O-OG 3.06Å; E18-S21 VanDerWaalsContact CA-OG 3.3Å; E18-S21 WeakPolarHBondContact CA-OG 3.49Å; E18-S21 WeakPolarHBondContact O-CB 3.34Å; E18-S21 PolarHBondContact O-N 3.39Å; E18-S21 PolarHBondContact O-OG 3.38Å; S21-A25 WeakPolarHBondContact O-CB 3.23Å; S21-A25 PolarHBondContact O-N 3.42Å
22V98.7Very high98.8Very high90 Ų9041.7 Ų41.755%0.54520%0.203SC..Hα-helixtrans-66-42.1-179176.20000110.7D20 T26 F36D20-V22 VanDerWaalsContact C-N 3.32Å; D20-V22 PolarHBondContact O-N 2.93Å; V22-T26 WeakPolarHBondContact O-CB 3.44Å; V22-T26 PolarHBondContact O-N 3.48Å; V22-T26 PolarHBondContact O-OG1 3.24Å; V22-F36 HydrophobicContact CG1-CZ 4.33Å
23Y98.8Very high98.7Very high126 Ų12637.6 Ų37.649%0.49419%0.188SC..Hα-helixtrans-67-47.8179.1-179-102.6000111.3D20 A25 T26 I27 Y125D20-Y23 WeakPolarHBondContact O-CB 3.36Å; D20-Y23 PolarHBondContact O-N 3.49Å; Y23-A25 PolarHBondContact O-N 3.24Å; Y23-T26 WeakPolarHBondContact O-CB 3.46Å; Y23-T26 PolarHBondContact O-N 2.91Å; Y23-T26 VanDerWaalsContact O-N 3.16Å; Y23-I27 HydrophobicContact CD1-CD1 3.8Å; Y23-I27 HydrophobicContact CE1-CD1 3.18Å; Y23-I27 HydrophobicContact CE1-CG1 4.25Å; Y23-I27 HydrophobicContact CE2-CD1 4.26Å; Y23-I27 VanDerWaalsContact CZ-CD1 3.48Å; Y23-I27 PolarHBondContact O-N 2.95Å; Y23-Y125 HydrophobicContact CD1-CD1 4.47Å; Y23-Y125 HydrophobicContact CD1-CD2 4.3Å; Y23-Y125 AromaticContact CD1-CE1 3.97Å; Y23-Y125 HydrophobicContact CD1-CE1 3.97Å; Y23-Y125 AromaticContact CD1-CE2 3.81Å; Y23-Y125 HydrophobicContact CD1-CE2 3.81Å; Y23-Y125 AromaticContact CD1-CZ 3.6Å; Y23-Y125 HydrophobicContact CE1-CD1 4.5Å; Y23-Y125 AromaticContact CE1-CD2 3.59Å; Y23-Y125 HydrophobicContact CE1-CD2 3.59Å; Y23-Y125 HydrophobicContact CE1-CE1 4.2Å; Y23-Y125 AromaticContact CE1-CE2 3.24Å; Y23-Y125 HydrophobicContact CE1-CE2 3.24Å; Y23-Y125 HydrophobicContact CE1-CG 4.2Å; Y23-Y125 AromaticContact CE1-CZ 3.58Å
24L98.8Very high98.7Very high0 Ų037.9 Ų37.90%019%0.189CC..Hα-helixtrans-59.8-45.2175.6-82.1174000112.2V17 D20 T26 I27 E28 L44 L94 T122 Y125 L129V17-L24 HydrophobicContact CB-CD1 4.33Å; V17-L24 HydrophobicContact CG1-CD1 3.87Å; V17-L24 HydrophobicContact CG2-CD1 4.36Å; D20-L24 HydrophobicContact CB-CD1 4.41Å; D20-L24 HydrophobicContact CB-CG 4.48Å; D20-L24 PolarHBondContact O-N 3.41Å; L24-T26 VanDerWaalsContact C-N 3.27Å; L24-T26 PolarHBondContact O-N 3.01Å; L24-I27 PolarHBondContact O-N 3.36Å; L24-E28 VanDerWaalsContact O-CB 3.3Å; L24-E28 WeakPolarHBondContact O-CB 3.23Å; L24-E28 PolarHBondContact O-N 2.98Å; L24-L44 HydrophobicContact CB-CD1 4.03Å; L24-L44 HydrophobicContact CB-CD2 4.45Å; L24-L44 HydrophobicContact CD1-CD1 4.18Å; L24-L94 HydrophobicContact CB-CD1 4.21Å; L24-L94 HydrophobicContact CD2-CD2 4.02Å; L24-T122 HydrophobicContact CD2-CG2 4.4Å; L24-Y125 HydrophobicContact CD1-CD1 4.44Å; L24-Y125 HydrophobicContact CD2-CD1 3.38Å; L24-Y125 HydrophobicContact CD2-CE1 4.15Å; L24-Y125 HydrophobicContact CD2-CG 4.03Å; L24-Y125 HydrophobicContact CG-CD1 3.91Å; L24-Y125 HydrophobicContact CG-CE1 4.19Å; L24-L129 HydrophobicContact CD1-CD1 4.25Å
25A98.8Very high98.7Very high0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-63.6-34.1176.700000112.2S21 Y23 S29 F36 T39 L40 L44S21-A25 WeakPolarHBondContact O-CB 3.23Å; S21-A25 PolarHBondContact O-N 3.42Å; Y23-A25 PolarHBondContact O-N 3.24Å; A25-S29 WeakPolarHBondContact O-CB 3.42Å; A25-S29 PolarHBondContact O-N 3.13Å; A25-F36 HydrophobicContact CB-CD2 4.14Å; A25-F36 HydrophobicContact CB-CE2 3.77Å; A25-T39 HydrophobicContact CB-CG2 3.91Å; A25-L40 HydrophobicContact CB-CB 3.98Å; A25-L40 HydrophobicContact CB-CD1 4.03Å; A25-L44 HydrophobicContact CB-CD2 3.92Å; A25-L44 HydrophobicContact CB-CG 4.45Å
26T98.8Very high98.7Very high54 Ų5436.8 Ų36.833%0.33118%0.182SC..Hα-helixtrans-66-48.6175.7-57.30000111.2V22 Y23 L24 S29 L30 F257V22-T26 WeakPolarHBondContact O-CB 3.44Å; V22-T26 PolarHBondContact O-N 3.48Å; V22-T26 PolarHBondContact O-OG1 3.24Å; Y23-T26 WeakPolarHBondContact O-CB 3.46Å; Y23-T26 PolarHBondContact O-N 2.91Å; Y23-T26 VanDerWaalsContact O-N 3.16Å; L24-T26 VanDerWaalsContact C-N 3.27Å; L24-T26 PolarHBondContact O-N 3.01Å; T26-S29 PolarHBondContact O-N 2.77Å; T26-L30 VanDerWaalsContact O-CB 3.25Å; T26-L30 WeakPolarHBondContact O-CB 3.38Å; T26-L30 PolarHBondContact O-N 3.12Å; T26-F257 HydrophobicContact CG2-CE1 3.98Å; T26-F257 HydrophobicContact CG2-CZ 4Å
27I98.5Very high98.6Very high23 Ų2339.8 Ų39.812%0.11820%0.198CC..Hα-helixtrans-63.7-43.8177.3-62.1171.2000110.4Y23 L24 L30 N31 L121 T122Y23-I27 HydrophobicContact CD1-CD1 3.8Å; Y23-I27 HydrophobicContact CE1-CD1 3.18Å; Y23-I27 HydrophobicContact CE1-CG1 4.25Å; Y23-I27 HydrophobicContact CE2-CD1 4.26Å; Y23-I27 VanDerWaalsContact CZ-CD1 3.48Å; Y23-I27 PolarHBondContact O-N 2.95Å; L24-I27 PolarHBondContact O-N 3.36Å; I27-L30 PolarHBondContact O-N 2.94Å; I27-N31 WeakPolarHBondContact O-CB 3.25Å; I27-N31 PolarHBondContact O-N 3.49Å; I27-L121 HydrophobicContact CG2-CB 3.57Å; I27-L121 HydrophobicContact CG2-CD1 4.32Å; I27-T122 HydrophobicContact CB-CG2 3.76Å; I27-T122 HydrophobicContact CG2-CG2 3.55Å
28E98.7Very high98.5Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-61.4-47.5-179.5-169.981.6151.100110.6L24 N31 S32 T39 P93 L94 T122L24-E28 VanDerWaalsContact O-CB 3.3Å; L24-E28 WeakPolarHBondContact O-CB 3.23Å; L24-E28 PolarHBondContact O-N 2.98Å; E28-N31 PolarHBondContact O-N 2.86Å; E28-S32 VanDerWaalsContact O-CB 3.28Å; E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3Å; E28-S32 PolarHBondContact O-OG 3.42Å; E28-T39 HydrophobicContact CB-CG2 3.65Å; E28-T39 HydrophobicContact CG-CG2 3.71Å; E28-P93 WeakPolarHBondContact OE1-CB 3.4Å; E28-P93 WeakPolarHBondContact OE1-CD 3.28Å; E28-L94 HydrophobicContact CB-CD1 3.87Å; E28-L94 HydrophobicContact CG-CD1 3.97Å; E28-L94 HydrophobicContact CG-CG 4.41Å; E28-L94 WeakPolarHBondContact OE1-CB 3.25Å; E28-L94 PolarHBondContact OE1-N 3.09Å; E28-T122 HydrophobicContact CB-CG2 3.84Å; E28-T122 VanDerWaalsContact OE2-CB 3.26Å; E28-T122 WeakPolarHBondContact OE2-CB 3.49Å; E28-T122 WeakPolarHBondContact OE2-CG2 3.47Å; E28-T122 PolarHBondContact OE2-OG1 3.39Å
29S98.7Very high98.5Very high0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-61-45.7176.5-178.80000111.8A25 T26 N31 G33 K34 P256A25-S29 WeakPolarHBondContact O-CB 3.42Å; A25-S29 PolarHBondContact O-N 3.13Å; T26-S29 PolarHBondContact O-N 2.77Å; S29-N31 PolarHBondContact O-N 3.05Å; S29-G33 VanDerWaalsContact O-CA 3.29Å; S29-G33 WeakPolarHBondContact O-CA 3.45Å; S29-G33 PolarHBondContact O-N 3.41Å; S29-K34 WeakPolarHBondContact CA-O 3.4Å; S29-K34 VanDerWaalsContact CB-O 3.23Å; S29-K34 WeakPolarHBondContact CB-O 3.25Å; S29-K34 PolarHBondContact OG-O 3.41Å; S29-P256 WeakPolarHBondContact OG-CB 3.29Å
30L98.6Very high98.5Very high123 Ų12333.1 Ų33.164%0.64418%0.177SC*.Hα-helixtrans-61.1-44.9177.3178.465.2000112.3T26 I27 F257T26-L30 VanDerWaalsContact O-CB 3.25Å; T26-L30 WeakPolarHBondContact O-CB 3.38Å; T26-L30 PolarHBondContact O-N 3.12Å; I27-L30 PolarHBondContact O-N 2.94Å; L30-F257 HydrophobicContact CB-CE2 4.36Å; L30-F257 HydrophobicContact CB-CZ 4.08Å; L30-F257 HydrophobicContact CD1-CE2 4.39Å
31N98.5Very high98.5Very high33 Ų3338.6 Ų38.618%0.17620%0.2CC..Hα-helixtrans-82.4-35.5-171.7-166.3-178.3000112.2I27 E28 S29 Q118 T119 L121I27-N31 WeakPolarHBondContact O-CB 3.25Å; I27-N31 PolarHBondContact O-N 3.49Å; E28-N31 PolarHBondContact O-N 2.86Å; S29-N31 PolarHBondContact O-N 3.05Å; N31-Q118 PolarHBondContact ND2-O 3.23Å; N31-T119 VanDerWaalsContact OD1-CA 3.29Å; N31-T119 WeakPolarHBondContact OD1-CA 3.39Å; N31-L121 HydrophobicContact CB-CD1 4.24Å; N31-L121 WeakPolarHBondContact OD1-CB 3.31Å; N31-L121 VanDerWaalsContact OD1-CG 3.24Å; N31-L121 WeakPolarHBondContact OD1-CG 3.32Å; N31-L121 PolarHBondContact OD1-N 2.8Å
32S98.1Very high98.4Very high5 Ų541.2 Ų41.24%0.03522%0.215CC..Hα-helixtrans-99.4-18.4-175.869.30000114.5E28 K34E28-S32 VanDerWaalsContact O-CB 3.28Å; E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3Å; E28-S32 PolarHBondContact O-OG 3.42Å; S32-K34 VanDerWaalsContact C-N 3.32Å; S32-K34 VanDerWaalsContact OG-CG 3.26Å; S32-K34 WeakPolarHBondContact OG-CG 3.36Å; S32-K34 PolarHBondContact OG-N 3.13Å
33G98Very high98.4Very high11 Ų1137 Ų3711%0.11319%0.19CC..  trans82.63.1-173.500000114.4S29 P256 G264 P265S29-G33 VanDerWaalsContact O-CA 3.29Å; S29-G33 WeakPolarHBondContact O-CA 3.45Å; S29-G33 PolarHBondContact O-N 3.41Å; G33-P256 VanDerWaalsContact O-CG 3.25Å; G33-P256 WeakPolarHBondContact O-CG 3.34Å; G33-G264 WeakPolarHBondContact O-CA 3.34Å; G33-P265 WeakPolarHBondContact O-CD 3.23Å
34K98.3Very high98.3Very high6 Ų631 Ų313%0.02617%0.167CC..  trans-65.7139.3177.4-71.6178.5-175-141.60112.5S29 S32 F36 T39 D43 N91 F92 N219 P256S29-K34 WeakPolarHBondContact CA-O 3.4Å; S29-K34 VanDerWaalsContact CB-O 3.23Å; S29-K34 WeakPolarHBondContact CB-O 3.25Å; S29-K34 PolarHBondContact OG-O 3.41Å; S32-K34 VanDerWaalsContact C-N 3.32Å; S32-K34 VanDerWaalsContact OG-CG 3.26Å; S32-K34 WeakPolarHBondContact OG-CG 3.36Å; S32-K34 PolarHBondContact OG-N 3.13Å; K34-F36 PolarHBondContact O-N 3.33Å; K34-T39 WeakPolarHBondContact CB-OG1 3.38Å; K34-D43 IonicContact NZ-OD1 2.77Å; K34-D43 PolarHBondContact NZ-OD1 3.06Å; K34-D43 IonicContact NZ-OD2 3.69Å; K34-N91 WeakPolarHBondContact CE-O 3.45Å; K34-N91 PolarHBondContact NZ-O 3.1Å; K34-F92 VanDerWaalsContact NZ-CE1 3.26Å; K34-N219 WeakPolarHBondContact CE-OD1 3.3Å; K34-N219 WeakPolarHBondContact CG-OD1 3.37Å; K34-P256 WeakPolarHBondContact O-CB 3.28Å
35P98.6Very high98.3Very high11 Ų1134.1 Ų34.17%0.07118%0.181CC..  trans-56.3132.7171.1-23.234.1000111.6L37 P38 T39 P256 T261P35-L37 PolarHBondContact O-N 3.48Å; P35-P38 HydrophobicContact CB-CG 3.99Å; P35-P38 VanDerWaalsContact O-CD 3.31Å; P35-P38 WeakPolarHBondContact O-CD 3.18Å; P35-T39 PolarHBondContact O-N 3.02Å; P35-T39 VanDerWaalsContact O-N 3.08Å; P35-T39 PolarHBondContact O-OG1 3.17Å; P35-P256 CarbonylContact C-O 3.53Å; P35-P256 VanDerWaalsContact CA-O 3.31Å; P35-P256 WeakPolarHBondContact CA-O 3.29Å; P35-T261 HydrophobicContact CB-CG2 4.46Å; P35-T261 HydrophobicContact CG-CG2 4.12Å
36F98.8Very high98.3Very high40 Ų4035.3 Ų35.318%0.17519%0.191CC..Hα-helixtrans-58.5-42.7-170.4168.5-96.7000113.1V22 A25 K34 T39 L40 P256 F257V22-F36 HydrophobicContact CG1-CZ 4.33Å; A25-F36 HydrophobicContact CB-CD2 4.14Å; A25-F36 HydrophobicContact CB-CE2 3.77Å; K34-F36 PolarHBondContact O-N 3.33Å; F36-T39 WeakPolarHBondContact O-CB 3.23Å; F36-T39 PolarHBondContact O-N 2.7Å; F36-L40 HydrophobicContact CE1-CD2 4.09Å; F36-L40 HydrophobicContact CZ-CD2 4.03Å; F36-L40 WeakPolarHBondContact O-CB 3.18Å; F36-L40 PolarHBondContact O-N 3.16Å; F36-P256 PolarHBondContact N-O 3.22Å; F36-F257 HydrophobicContact CB-CD1 3.85Å; F36-F257 HydrophobicContact CB-CE1 4.23Å; F36-F257 HydrophobicContact CD2-CD1 4.32Å; F36-F257 HydrophobicContact CD2-CE1 4.12Å; F36-F257 HydrophobicContact CG-CD1 4.25Å; F36-F257 HydrophobicContact CG-CE1 4.47Å
37L98.4Very high98.3Very high68 Ų6832.8 Ų32.836%0.35618%0.175SC..Hα-helixtrans-65.3-51.2-177.8-62.4176.2000111.9P35 T39 L40 F41 P259P35-L37 PolarHBondContact O-N 3.48Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 2.93Å; L37-L40 PolarHBondContact O-N 3.34Å; L37-F41 HydrophobicContact CB-CD2 4.31Å; L37-F41 HydrophobicContact CB-CE2 4.44Å; L37-F41 HydrophobicContact CD2-CE2 3.99Å; L37-F41 WeakPolarHBondContact O-CD2 3.38Å; L37-F41 PolarHBondContact O-N 2.59Å; L37-P259 HydrophobicContact CD1-CB 3.89Å
38P97.1Very high98.3Very high46 Ų4631.7 Ų31.730%0.29917%0.17SC..Hα-helixtrans-52.1-43.6168-30.835.3000113.8P35 L40 F41 V42P35-P38 HydrophobicContact CB-CG 3.99Å; P35-P38 VanDerWaalsContact O-CD 3.31Å; P35-P38 WeakPolarHBondContact O-CD 3.18Å; P38-L40 PolarHBondContact O-N 2.92Å; P38-F41 PolarHBondContact O-N 3.21Å; P38-V42 WeakPolarHBondContact O-CA 3.42Å; P38-V42 WeakPolarHBondContact O-CB 3.47Å; P38-V42 WeakPolarHBondContact O-CG2 3.2Å; P38-V42 PolarHBondContact O-N 3.48Å
39T98.4Very high98.3Very high0 Ų037.8 Ų37.80%020%0.196CC..Iπ-helixtrans-60.1-44.4177.3-64.10000112.5A25 E28 K34 P35 F36 L37 D43 L44A25-T39 HydrophobicContact CB-CG2 3.91Å; E28-T39 HydrophobicContact CB-CG2 3.65Å; E28-T39 HydrophobicContact CG-CG2 3.71Å; K34-T39 WeakPolarHBondContact CB-OG1 3.38Å; P35-T39 PolarHBondContact O-N 3.02Å; P35-T39 VanDerWaalsContact O-N 3.08Å; P35-T39 PolarHBondContact O-OG1 3.17Å; F36-T39 WeakPolarHBondContact O-CB 3.23Å; F36-T39 PolarHBondContact O-N 2.7Å; L37-T39 VanDerWaalsContact C-N 3.29Å; L37-T39 PolarHBondContact O-N 2.93Å; T39-D43 HydrophobicContact CG2-CB 4.43Å; T39-D43 WeakPolarHBondContact O-CB 3.31Å; T39-D43 PolarHBondContact O-N 2.91Å; T39-L44 HydrophobicContact CG2-CD2 4.19Å; T39-L44 PolarHBondContact O-N 3.48Å
40L98.4Very high98.3Very high26 Ų2637.8 Ų37.814%0.13620%0.196CC..Iπ-helixtrans-68.4-43.1179.5-178.761.9000112.5A25 F36 L37 P38 L44A25-L40 HydrophobicContact CB-CB 3.98Å; A25-L40 HydrophobicContact CB-CD1 4.03Å; F36-L40 HydrophobicContact CE1-CD2 4.09Å; F36-L40 HydrophobicContact CZ-CD2 4.03Å; F36-L40 WeakPolarHBondContact O-CB 3.18Å; F36-L40 PolarHBondContact O-N 3.16Å; L37-L40 PolarHBondContact O-N 3.34Å; P38-L40 PolarHBondContact O-N 2.92Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å
41F98.1Very high98.3Very high136 Ų13632.1 Ų32.160%0.59617%0.166SC*.Iπ-helixtrans-93.4-16.7-172-65.2-60.5000114.5L37 P38 Q45L37-F41 HydrophobicContact CB-CD2 4.31Å; L37-F41 HydrophobicContact CB-CE2 4.44Å; L37-F41 HydrophobicContact CD2-CE2 3.99Å; L37-F41 WeakPolarHBondContact O-CD2 3.38Å; L37-F41 PolarHBondContact O-N 2.59Å; P38-F41 PolarHBondContact O-N 3.21Å; F41-Q45 WeakPolarHBondContact O-CB 3.41Å; F41-Q45 VanDerWaalsContact O-CG 3.28Å; F41-Q45 WeakPolarHBondContact O-CG 3.48Å
42V97.4Very high98.4Very high67 Ų6735 Ų3541%0.40618%0.175SC..Iπ-helixtrans-113.2-68179.8-172.60000110.3P38 L44 Q45 A46 F218P38-V42 WeakPolarHBondContact O-CA 3.42Å; P38-V42 WeakPolarHBondContact O-CB 3.47Å; P38-V42 WeakPolarHBondContact O-CG2 3.2Å; P38-V42 PolarHBondContact O-N 3.48Å; V42-L44 PolarHBondContact O-N 3.31Å; V42-Q45 PolarHBondContact O-N 3.3Å; V42-A46 VanDerWaalsContact O-CB 3.29Å; V42-A46 WeakPolarHBondContact O-CB 3.41Å; V42-A46 PolarHBondContact O-N 3.03Å; V42-F218 HydrophobicContact CG1-CZ 4.13Å
43D98.1Very high98.4Very high3 Ų336.9 Ų36.92%0.01618%0.181CC..Iπ-helixtrans-61-48.4-174-62.9-123.4000112.6K34 T39 A46 T47 F92K34-D43 IonicContact NZ-OD1 2.77Å; K34-D43 PolarHBondContact NZ-OD1 3.06Å; K34-D43 IonicContact NZ-OD2 3.69Å; T39-D43 HydrophobicContact CG2-CB 4.43Å; T39-D43 WeakPolarHBondContact O-CB 3.31Å; T39-D43 PolarHBondContact O-N 2.91Å; D43-A46 PolarHBondContact O-N 3.19Å; D43-T47 WeakPolarHBondContact O-CB 3.42Å; D43-T47 PolarHBondContact O-N 3.15Å; D43-T47 PolarHBondContact O-OG1 3.34Å; D43-F92 VanDerWaalsContact OD1-CD1 3.26Å; D43-F92 WeakPolarHBondContact OD1-CD1 3.4Å
44L98.3Very high98.4Very high0 Ų036.3 Ų36.30%018%0.176CC..Hα-helixtrans-65.9-43.4179.1-98.2-62.7000111.5V17 L24 A25 T39 L40 V42 A46 T47 I48 L94V17-L44 HydrophobicContact CG1-CD1 3.81Å; L24-L44 HydrophobicContact CB-CD1 4.03Å; L24-L44 HydrophobicContact CB-CD2 4.45Å; L24-L44 HydrophobicContact CD1-CD1 4.18Å; A25-L44 HydrophobicContact CB-CD2 3.92Å; A25-L44 HydrophobicContact CB-CG 4.45Å; T39-L44 HydrophobicContact CG2-CD2 4.19Å; T39-L44 PolarHBondContact O-N 3.48Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å; V42-L44 PolarHBondContact O-N 3.31Å; L44-A46 PolarHBondContact O-N 2.99Å; L44-T47 WeakPolarHBondContact O-CB 3.45Å; L44-T47 PolarHBondContact O-N 2.88Å; L44-I48 WeakPolarHBondContact O-CD1 3.18Å; L44-I48 VanDerWaalsContact O-CG1 3.28Å; L44-I48 WeakPolarHBondContact O-CG1 3.27Å; L44-I48 PolarHBondContact O-N 2.92Å; L44-L94 HydrophobicContact CD1-CD1 4.37Å; L44-L94 HydrophobicContact CD2-CD1 3.43Å; L44-L94 VanDerWaalsContact CD2-CD1 3.43Å
45Q98.2Very high98.5Very high65 Ų6536.6 Ų36.630%0.30418%0.179SC..Hα-helixtrans-64.4-41.2178.5-67.4-57.6-47.500111.8F41 V42 T47 K49F41-Q45 WeakPolarHBondContact O-CB 3.41Å; F41-Q45 VanDerWaalsContact O-CG 3.28Å; F41-Q45 WeakPolarHBondContact O-CG 3.48Å; V42-Q45 PolarHBondContact O-N 3.3Å; Q45-T47 VanDerWaalsContact C-N 3.35Å; Q45-K49 VanDerWaalsContact O-CB 3.3Å; Q45-K49 WeakPolarHBondContact O-CB 3.3Å; Q45-K49 VanDerWaalsContact O-CG 3.22Å; Q45-K49 WeakPolarHBondContact O-CG 3.35Å; Q45-K49 PolarHBondContact O-N 2.87Å
46A98.3Very high98.5Very high24 Ų2437.8 Ų37.820%0.19819%0.193CC..Hα-helixtrans-63.4-41173.600000111.6V42 D43 L44 T50 M95V42-A46 VanDerWaalsContact O-CB 3.29Å; V42-A46 WeakPolarHBondContact O-CB 3.41Å; V42-A46 PolarHBondContact O-N 3.03Å; D43-A46 PolarHBondContact O-N 3.19Å; L44-A46 PolarHBondContact O-N 2.99Å; A46-T50 VanDerWaalsContact O-CB 3.29Å; A46-T50 WeakPolarHBondContact O-CB 3.4Å; A46-T50 PolarHBondContact O-N 3.38Å; A46-T50 PolarHBondContact O-OG1 2.86Å; A46-M95 HydrophobicContact CB-CG 4.13Å; A46-M95 HydrophobicContact CB-SD 3.74Å
47T98.8Very high98.5Very high1 Ų138.2 Ų38.21%0.00619%0.194CC..Hα-helixtrans-58.6-52.5175.9-63.10000111.3V17 D43 L44 Q45 T50 L51 M95 A98V17-T47 HydrophobicContact CG1-CG2 4Å; D43-T47 WeakPolarHBondContact O-CB 3.42Å; D43-T47 PolarHBondContact O-N 3.15Å; D43-T47 PolarHBondContact O-OG1 3.34Å; L44-T47 WeakPolarHBondContact O-CB 3.45Å; L44-T47 PolarHBondContact O-N 2.88Å; Q45-T47 VanDerWaalsContact C-N 3.35Å; T47-T50 PolarHBondContact O-N 3.24Å; T47-L51 HydrophobicContact CG2-CD1 4.37Å; T47-L51 WeakPolarHBondContact O-CG 3.36Å; T47-L51 PolarHBondContact O-N 2.91Å; T47-M95 WeakPolarHBondContact OG1-CA 3.14Å; T47-M95 PolarHBondContact OG1-N 2.91Å; T47-A98 HydrophobicContact CG2-CB 3.95Å
48I98.9Very high98.5Very high1 Ų135.1 Ų35.11%0.00518%0.178CC..Hα-helixtrans-62.9-47.2-179.5-65.9160.9000110.7A14 V17 E18 L44 T50 L51 R52A14-I48 HydrophobicContact CB-CG2 4.47Å; V17-I48 HydrophobicContact CB-CG1 4.41Å; V17-I48 HydrophobicContact CG1-CD1 4.44Å; V17-I48 HydrophobicContact CG1-CG1 3.77Å; E18-I48 HydrophobicContact CB-CD1 3.85Å; E18-I48 HydrophobicContact CB-CG1 4.35Å; E18-I48 HydrophobicContact CG-CD1 4.09Å; L44-I48 WeakPolarHBondContact O-CD1 3.18Å; L44-I48 VanDerWaalsContact O-CG1 3.28Å; L44-I48 WeakPolarHBondContact O-CG1 3.27Å; L44-I48 PolarHBondContact O-N 2.92Å; I48-T50 VanDerWaalsContact C-N 3.3Å; I48-T50 PolarHBondContact O-N 3.08Å; I48-L51 PolarHBondContact O-N 2.98Å; I48-R52 VanDerWaalsContact CG2-NH1 3.27Å; I48-R52 WeakPolarHBondContact O-CB 3.35Å; I48-R52 WeakPolarHBondContact O-CG 3.29Å; I48-R52 PolarHBondContact O-N 2.82Å
49K98.9Very high98.6Very high127 Ų12736.6 Ų36.655%0.55218%0.183SC*.Hα-helixtrans-59.9-40.6177.5-75174.4-179.1178.50111.6Q45 R52 Y53Q45-K49 VanDerWaalsContact O-CB 3.3Å; Q45-K49 WeakPolarHBondContact O-CB 3.3Å; Q45-K49 VanDerWaalsContact O-CG 3.22Å; Q45-K49 WeakPolarHBondContact O-CG 3.35Å; Q45-K49 PolarHBondContact O-N 2.87Å; K49-R52 PolarHBondContact O-N 3.43Å; K49-Y53 VanDerWaalsContact O-CB 3.27Å; K49-Y53 WeakPolarHBondContact O-CB 3.32Å; K49-Y53 PolarHBondContact O-N 3.18Å
50T98.9Very high98.6Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-64.6-45.5178.2-67.70000112.9A46 T47 I48 Y53 F54 A98 A102 T383 L399A46-T50 VanDerWaalsContact O-CB 3.29Å; A46-T50 WeakPolarHBondContact O-CB 3.4Å; A46-T50 PolarHBondContact O-N 3.38Å; A46-T50 PolarHBondContact O-OG1 2.86Å; T47-T50 PolarHBondContact O-N 3.24Å; I48-T50 VanDerWaalsContact C-N 3.3Å; I48-T50 PolarHBondContact O-N 3.08Å; T50-Y53 PolarHBondContact O-N 3.03Å; T50-F54 HydrophobicContact CG2-CD2 3.94Å; T50-F54 HydrophobicContact CG2-CE2 4.11Å; T50-F54 WeakPolarHBondContact O-CD2 3.45Å; T50-F54 PolarHBondContact O-N 3.01Å; T50-A98 HydrophobicContact CG2-CB 4.1Å; T50-A102 HydrophobicContact CG2-CB 4.22Å; T50-T383 HydrophobicContact CG2-CG2 4.17Å; T50-T383 PolarHBondContact OG1-OG1 2.85Å; T50-T383 VanDerWaalsContact OG1-OG1 3.08Å; T50-L399 HydrophobicContact CG2-CD2 4.31Å
51L98.9Very high98.6Very high4 Ų442.6 Ų42.62%0.02121%0.21CC..Hα-helixtrans-60.5-46.9175.2-68169000111.5L10 L13 A14 V17 T47 I48 A55 A98 L101 A102L10-L51 HydrophobicContact CD2-CD2 4.26Å; L13-L51 HydrophobicContact CD2-CD1 4.48Å; L13-L51 HydrophobicContact CD2-CD2 3.99Å; L13-L51 HydrophobicContact CG-CD1 4.18Å; A14-L51 HydrophobicContact CB-CB 3.71Å; A14-L51 HydrophobicContact CB-CD1 4.22Å; V17-L51 HydrophobicContact CG2-CD1 4.09Å; T47-L51 HydrophobicContact CG2-CD1 4.37Å; T47-L51 WeakPolarHBondContact O-CG 3.36Å; T47-L51 PolarHBondContact O-N 2.91Å; I48-L51 PolarHBondContact O-N 2.98Å; L51-A55 VanDerWaalsContact O-CB 3.32Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.21Å; L51-A98 HydrophobicContact CD2-CB 4.46Å; L51-A98 HydrophobicContact CG-CB 4.29Å; L51-L101 HydrophobicContact CD2-CD2 4.48Å; L51-A102 HydrophobicContact CD2-CB 4.07Å
52R98.9Very high98.6Very high95 Ų9542.8 Ų42.836%0.35821%0.213SC..Hα-helixtrans-64.8-40.2179.5-73179.9171.4150.30.2112.9A14 D15 E18 I48 K49 A55 G56A14-R52 HydrophobicContact CB-CG 3.64Å; D15-R52 IonicContact OD1-CZ 3.65Å; D15-R52 IonicContact OD1-NE 3.4Å; D15-R52 IonicContact OD1-NH2 2.74Å; D15-R52 PolarHBondContact OD1-NH2 3.26Å; E18-R52 VanDerWaalsContact CD-NH2 3.33Å; E18-R52 IonicContact OE1-CZ 3.95Å; E18-R52 IonicContact OE1-NH1 3.99Å; E18-R52 PolarHBondContact OE1-NH1 3.32Å; E18-R52 IonicContact OE1-NH2 3Å; E18-R52 PolarHBondContact OE1-NH2 3.46Å; E18-R52 IonicContact OE2-CZ 3.96Å; E18-R52 IonicContact OE2-NH1 2.64Å; E18-R52 IonicContact OE2-NH2 2.69Å; E18-R52 PolarHBondContact OE2-NH2 2.79Å; I48-R52 VanDerWaalsContact CG2-NH1 3.27Å; I48-R52 WeakPolarHBondContact O-CB 3.35Å; I48-R52 WeakPolarHBondContact O-CG 3.29Å; I48-R52 PolarHBondContact O-N 2.82Å; K49-R52 PolarHBondContact O-N 3.43Å; R52-A55 WeakPolarHBondContact O-CB 3.42Å; R52-A55 PolarHBondContact O-N 2.88Å; R52-G56 PolarHBondContact O-N 2.68Å
53Y98.9Very high98.6Very high43 Ų4341.3 Ų41.317%0.16921%0.211CC..Hα-helixtrans-60.9-51.6177.7178.4-97.5000111.5K49 T50 A55 G56 Y57 T383 Q384 G400K49-Y53 VanDerWaalsContact O-CB 3.27Å; K49-Y53 WeakPolarHBondContact O-CB 3.32Å; K49-Y53 PolarHBondContact O-N 3.18Å; T50-Y53 PolarHBondContact O-N 3.03Å; Y53-A55 VanDerWaalsContact C-N 3.35Å; Y53-A55 PolarHBondContact O-N 2.84Å; Y53-G56 PolarHBondContact O-N 3.43Å; Y53-G56 VanDerWaalsContact O-N 3.09Å; Y53-Y57 HydrophobicContact CD1-CD2 4.26Å; Y53-Y57 HydrophobicContact CD1-CE2 4.37Å; Y53-Y57 AromaticContact CE1-CD2 3.84Å; Y53-Y57 HydrophobicContact CE1-CD2 3.84Å; Y53-Y57 AromaticContact CE1-CE2 3.61Å; Y53-Y57 HydrophobicContact CE1-CE2 3.61Å; Y53-Y57 HydrophobicContact CE2-CD2 4.49Å; Y53-Y57 AromaticContact CE2-CE2 3.81Å; Y53-Y57 HydrophobicContact CE2-CE2 3.81Å; Y53-Y57 AromaticContact CZ-CD2 3.98Å; Y53-Y57 AromaticContact CZ-CE2 3.28Å; Y53-Y57 WeakPolarHBondContact OH-CE2 3.26Å; Y53-Y57 PolarHBondContact OH-OH 3.42Å; Y53-T383 HydrophobicContact CD1-CG2 3.5Å; Y53-T383 HydrophobicContact CD2-CG2 4.37Å; Y53-T383 HydrophobicContact CE1-CG2 4.29Å; Y53-T383 HydrophobicContact CG-CG2 3.54Å; Y53-Q384 HydrophobicContact CD2-CG 4.07Å; Y53-Q384 HydrophobicContact CE2-CB 4.06Å; Y53-Q384 HydrophobicContact CE2-CG 3.68Å; Y53-G400 WeakPolarHBondContact OH-CA 3.38Å
54F98.9Very high98.6Very high0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-74.2-25.3-178.9-76.8-62.1000113.3T50 G56 Y57 A58 A102 P103 A106 T383 L399 G400 L404T50-F54 HydrophobicContact CG2-CD2 3.94Å; T50-F54 HydrophobicContact CG2-CE2 4.11Å; T50-F54 WeakPolarHBondContact O-CD2 3.45Å; T50-F54 PolarHBondContact O-N 3.01Å; F54-G56 PolarHBondContact O-N 3.3Å; F54-Y57 PolarHBondContact O-N 2.98Å; F54-Y57 VanDerWaalsContact O-N 3.09Å; F54-A58 PolarHBondContact O-N 2.77Å; F54-A102 HydrophobicContact CB-CB 3.8Å; F54-A102 HydrophobicContact CD2-CB 3.7Å; F54-A102 HydrophobicContact CG-CB 4.09Å; F54-P103 HydrophobicContact CD1-CB 3.98Å; F54-P103 HydrophobicContact CD2-CB 4.38Å; F54-P103 HydrophobicContact CD2-CG 4.5Å; F54-P103 HydrophobicContact CE1-CB 3.74Å; F54-P103 HydrophobicContact CE2-CB 4.14Å; F54-P103 HydrophobicContact CE2-CG 4.16Å; F54-P103 HydrophobicContact CG-CB 4.29Å; F54-P103 HydrophobicContact CZ-CB 3.81Å; F54-P103 HydrophobicContact CZ-CG 4.2Å; F54-A106 HydrophobicContact CB-CB 4.24Å; F54-A106 WeakPolarHBondContact O-CB 3.33Å; F54-T383 HydrophobicContact CE2-CG2 4.3Å; F54-L399 HydrophobicContact CE2-CD2 4.34Å; F54-G400 WeakPolarHBondContact CE1-O 3.36Å; F54-L404 HydrophobicContact CD1-CD2 3.7Å; F54-L404 HydrophobicContact CD1-CG 4.32Å; F54-L404 HydrophobicContact CE1-CD2 3.73Å; F54-L404 HydrophobicContact CE1-CG 3.94Å
55A98.9Very high98.6Very high12 Ų1249.4 Ų49.410%0.09927%0.265CS..Hα-helixtrans-54-41.9165.500000111.4G7 L10 A11 L51 R52 Y53 Y57G7-A55 VanDerWaalsContact CA-O 3.27Å; G7-A55 WeakPolarHBondContact CA-O 3.29Å; G7-A55 VanDerWaalsContact O-CB 3.29Å; G7-A55 WeakPolarHBondContact O-CB 3.28Å; L10-A55 HydrophobicContact CB-CB 3.69Å; A11-A55 HydrophobicContact CB-CB 4.09Å; L51-A55 VanDerWaalsContact O-CB 3.32Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 3.21Å; R52-A55 WeakPolarHBondContact O-CB 3.42Å; R52-A55 PolarHBondContact O-N 2.88Å; Y53-A55 VanDerWaalsContact C-N 3.35Å; Y53-A55 PolarHBondContact O-N 2.84Å; A55-Y57 VanDerWaalsContact C-N 3.28Å; A55-Y57 PolarHBondContact O-N 3.09Å
56G98.8Very high98.6Very high35 Ų3549.5 Ų49.536%0.36127%0.267SS..Hα-helixtrans-67.8-20.9177.700000114.9R52 Y53 F54 K60R52-G56 PolarHBondContact O-N 2.68Å; Y53-G56 PolarHBondContact O-N 3.43Å; Y53-G56 VanDerWaalsContact O-N 3.09Å; F54-G56 PolarHBondContact O-N 3.3Å; G56-K60 WeakPolarHBondContact O-CD 3.47Å; G56-K60 WeakPolarHBondContact O-CE 3.28Å; G56-K60 PolarHBondContact O-NZ 3.13Å
57Y98.6Very high98.6Very high50 Ų5054 Ų5420%0.19629%0.294CS..Hα-helixtrans-90.7-16.5-178.9-94.1-85.7000114.5Y53 F54 A55 D59 K60 E401 L404Y53-Y57 HydrophobicContact CD1-CD2 4.26Å; Y53-Y57 HydrophobicContact CD1-CE2 4.37Å; Y53-Y57 AromaticContact CE1-CD2 3.84Å; Y53-Y57 HydrophobicContact CE1-CD2 3.84Å; Y53-Y57 AromaticContact CE1-CE2 3.61Å; Y53-Y57 HydrophobicContact CE1-CE2 3.61Å; Y53-Y57 HydrophobicContact CE2-CD2 4.49Å; Y53-Y57 AromaticContact CE2-CE2 3.81Å; Y53-Y57 HydrophobicContact CE2-CE2 3.81Å; Y53-Y57 AromaticContact CZ-CD2 3.98Å; Y53-Y57 AromaticContact CZ-CE2 3.28Å; Y53-Y57 WeakPolarHBondContact OH-CE2 3.26Å; Y53-Y57 PolarHBondContact OH-OH 3.42Å; F54-Y57 PolarHBondContact O-N 2.98Å; F54-Y57 VanDerWaalsContact O-N 3.09Å; A55-Y57 VanDerWaalsContact C-N 3.28Å; A55-Y57 PolarHBondContact O-N 3.09Å; Y57-D59 PolarHBondContact O-N 3.43Å; Y57-K60 PolarHBondContact O-N 3.36Å; Y57-E401 HydrophobicContact CE1-CB 4.2Å; Y57-E401 HydrophobicContact CE1-CG 3.97Å; Y57-L404 HydrophobicContact CD1-CD1 3.18Å; Y57-L404 HydrophobicContact CD2-CD1 4.43Å; Y57-L404 HydrophobicContact CE1-CD1 3.75Å; Y57-L404 HydrophobicContact CG-CD1 3.55Å
58A98.8Very high98.5Very high2 Ų257.7 Ų57.72%0.01731%0.312CS..THydrogen-bonded Turntrans-54.4-34.1-16800000113.8A3 R6 F54 A106A3-A58 WeakPolarHBondContact CB-O 3.46Å; A3-A58 VanDerWaalsContact O-CB 3.23Å; A3-A58 WeakPolarHBondContact O-CB 3.39Å; R6-A58 HydrophobicContact CB-CB 4.21Å; R6-A58 PolarHBondContact NH2-O 2.72Å; F54-A58 PolarHBondContact O-N 2.77Å; A58-A106 HydrophobicContact CB-CB 4.32Å
59D98.7Very high98.5Very high77 Ų7764.4 Ų64.441%0.41235%0.348SS..THydrogen-bonded Turntrans-105.510.1178.466.6-9.1000114.8A3 Y57A3-D59 HydrophobicContact CB-CB 3.94Å; Y57-D59 PolarHBondContact O-N 3.43Å
60K98.8Very high98.4Very high108 Ų10860 Ų6047%0.4734%0.339SS..  trans-114.412.9-178.2-64.9173.4-167.763.10113.2G56 Y57 H62G56-K60 WeakPolarHBondContact O-CD 3.47Å; G56-K60 WeakPolarHBondContact O-CE 3.28Å; G56-K60 PolarHBondContact O-NZ 3.13Å; Y57-K60 PolarHBondContact O-N 3.36Å; K60-H62 PolarHBondContact O-CE1 2.95Å; K60-H62 PolarHBondContact O-N 2.9Å; K60-H62 PolarHBondContact O-ND1 2.88Å
61I98.4Very high98.4Very high45 Ų4563.5 Ų63.523%0.23136%0.355CS..  trans-84.989.2175.8-58.6161000107.9Y78 C107 L404 T408I61-Y78 HydrophobicContact CG2-CD2 4.48Å; I61-Y78 HydrophobicContact CG2-CG 4.39Å; I61-C107 HydrophobicContact CD1-CB 4.27Å; I61-L404 HydrophobicContact CD1-CD2 4.47Å; I61-L404 HydrophobicContact CG1-CD1 4.38Å; I61-T408 HydrophobicContact CG2-CG2 4.13Å
62H98.5Very high98.4Very high139 Ų13967.1 Ų67.164%0.64437%0.369SS*.  trans-90.4140.6-176.7-52.4113.9000112K60 Y78K60-H62 PolarHBondContact O-CE1 2.95Å; K60-H62 PolarHBondContact O-N 2.9Å; K60-H62 PolarHBondContact O-ND1 2.88Å; H62-Y78 WeakPolarHBondContact O-CD2 3.33Å; H62-Y78 VanDerWaalsContact O-CE2 3.23Å; H62-Y78 WeakPolarHBondContact O-CE2 3.43Å
63G97.8Very high98.4Very high36 Ų3666.5 Ų66.537%0.37137%0.373SS..  trans-76.9-171.6160.500000112T76G63-T76 WeakPolarHBondContact CA-O 3.34Å
64T98.1Very high98.4Very high76 Ų7664.8 Ų64.847%0.46637%0.367SS..  trans-129.6138.2-176.2-50.40000110.1I66 F75 T76T64-I66 HydrophobicContact CG2-CG1 4.37Å; T64-F75 CarbonylContact O-C 3.54Å; T64-F75 WeakPolarHBondContact O-CA 3.1Å; T64-F75 WeakPolarHBondContact O-CB 3.38Å; T64-T76 PolarHBondContact N-OG1 3.29Å; T64-T76 PolarHBondContact O-N 3.24Å
65S98.4Very high98.3Very high97 Ų9767.9 Ų67.968%0.67838%0.38SS*.EExtended strand (participates in β ladder)trans-84.2127.8163.3550000109.8
66I98.6Very high98.3Very high67 Ų6767.6 Ų67.634%0.34438%0.377SS..EExtended strand (participates in β ladder)trans-113.8123-171.6-58.1173.6000109.7T64 M68 T74 T76T64-I66 HydrophobicContact CG2-CG1 4.37Å; I66-M68 PolarHBondContact O-N 2.72Å; I66-T74 HydrophobicContact CB-CG2 4.04Å; I66-T74 HydrophobicContact CD1-CG2 4.24Å; I66-T74 PolarHBondContact N-O 2.86Å; I66-T76 HydrophobicContact CD1-CG2 3.73Å
67P97.4Very high98.3Very high120 Ų12072.2 Ų72.278%0.77938%0.384SS*.  trans-77.765.3175.834-35.7000110.7
68M97.4Very high98.3Very high77 Ų7773.6 Ų73.638%0.37939%0.389SS..  trans-61.9146.4177.6-179.4-178.217100110.9I66 Y72 T74 T414 K420I66-M68 PolarHBondContact O-N 2.72Å; M68-Y72 HydrophobicContact CE-CD2 4.23Å; M68-Y72 HydrophobicContact SD-CD2 4.47Å; M68-T74 PolarHBondContact SD-OG1 2.9Å; M68-T414 HydrophobicContact SD-CG2 4.02Å; M68-K420 PolarHBondContact O-NZ 2.67Å
69D98.3Very high98.3Very high142 Ų14275.8 Ų75.876%0.75940%0.399SS*.SBendtrans-59149.6173.3-69.4-21.6000112.9Y72D69-Y72 WeakPolarHBondContact O-CD2 3.21Å
70G97.6Very high98.3Very high36 Ų3675 Ų7537%0.37140%0.398SS..SBendtrans77-172.4-178.200000114.6Y72 K420G70-Y72 VanDerWaalsContact C-N 3.31Å; G70-Y72 PolarHBondContact O-N 3.45Å; G70-K420 WeakPolarHBondContact O-CD 3.19Å; G70-K420 WeakPolarHBondContact O-CE 3.39Å; G70-K420 PolarHBondContact O-NZ 2.81Å
71E98.3Very high98.3Very high72 Ų7270.9 Ų70.934%0.33638%0.381SS..SBendtrans-84.768-175.1-47.9-53.8134.100111.5M417 S419 K420E71-M417 WeakPolarHBondContact CB-O 3.38Å; E71-M417 PolarHBondContact O-N 2.61Å; E71-S419 VanDerWaalsContact OE2-C 3.29Å; E71-S419 WeakPolarHBondContact OE2-CA 3.38Å; E71-K420 WeakPolarHBondContact OE2-CB 3.41Å; E71-K420 PolarHBondContact OE2-N 2.89Å
72Y98.5Very high98.3Very high81 Ų8169.9 Ų69.932%0.31838%0.382SS..EExtended strand (participates in β ladder)trans-134.1140.1-179.2-59-80.9000112.3M68 D69 G70 T414 I415 K416M68-Y72 HydrophobicContact CE-CD2 4.23Å; M68-Y72 HydrophobicContact SD-CD2 4.47Å; D69-Y72 WeakPolarHBondContact O-CD2 3.21Å; G70-Y72 VanDerWaalsContact C-N 3.31Å; G70-Y72 PolarHBondContact O-N 3.45Å; Y72-T414 HydrophobicContact CD1-CG2 3.71Å; Y72-T414 HydrophobicContact CG-CG2 3.97Å; Y72-I415 CarbonylContact C-O 3.52Å; Y72-I415 VanDerWaalsContact CA-O 3.29Å; Y72-I415 WeakPolarHBondContact CA-O 3.48Å; Y72-K416 HydrophobicContact CD1-CB 4.27Å; Y72-K416 HydrophobicContact CD1-CD 4.1Å; Y72-K416 HydrophobicContact CE1-CB 4.08Å; Y72-K416 HydrophobicContact CE1-CD 3.53Å; Y72-K416 HydrophobicContact CE1-CG 4.41Å
73L98.3Very high98.4Very high82 Ų8265.3 Ų65.343%0.42936%0.363SS..EExtended strand (participates in β ladder)trans-94116.4162.8171.961.9000107.6F75 T414 I415 M417L73-F75 HydrophobicContact CG-CD1 4.37Å; L73-T414 WeakPolarHBondContact O-CA 3.42Å; L73-I415 HydrophobicContact CB-CB 4.47Å; L73-I415 PolarHBondContact N-O 3.36Å; L73-I415 PolarHBondContact O-N 2.92Å; L73-M417 HydrophobicContact CB-CG 3.86Å; L73-M417 HydrophobicContact CB-SD 3.82Å
74T98.6Very high98.4Very high6 Ų663.6 Ų63.64%0.03735%0.346CS..EExtended strand (participates in β ladder)trans-122.2133.3179.6-62.10000110.8I66 M68 T412 I413 T414I66-T74 HydrophobicContact CB-CG2 4.04Å; I66-T74 HydrophobicContact CD1-CG2 4.24Å; I66-T74 PolarHBondContact N-O 2.86Å; M68-T74 PolarHBondContact SD-OG1 2.9Å; T74-T412 HydrophobicContact CG2-CG2 3.66Å; T74-I413 VanDerWaalsContact CA-O 3.3Å; T74-I413 WeakPolarHBondContact CA-O 3.41Å; T74-T414 WeakPolarHBondContact CG2-OG1 3.49Å; T74-T414 WeakPolarHBondContact OG1-CG2 3.29Å; T74-T414 PolarHBondContact OG1-OG1 3.44Å; T74-T414 VanDerWaalsContact OG1-OG1 3.07Å
75F98.7Very high98.5Very high66 Ų6660 Ų6029%0.28932%0.324SS..EExtended strand (participates in β ladder)trans-148.3164.3173.261.2-85.3000111.2T64 L73 I413 I415T64-F75 CarbonylContact O-C 3.54Å; T64-F75 WeakPolarHBondContact O-CA 3.1Å; T64-F75 WeakPolarHBondContact O-CB 3.38Å; L73-F75 HydrophobicContact CG-CD1 4.37Å; F75-I413 HydrophobicContact CD2-CB 4.49Å; F75-I413 HydrophobicContact CD2-CD1 4.47Å; F75-I413 HydrophobicContact CE1-CB 4.2Å; F75-I413 HydrophobicContact CE1-CG2 3.93Å; F75-I413 HydrophobicContact CE2-CB 4.07Å; F75-I413 HydrophobicContact CE2-CD1 3.65Å; F75-I413 HydrophobicContact CE2-CG1 4.42Å; F75-I413 HydrophobicContact CE2-CG2 4.39Å; F75-I413 HydrophobicContact CZ-CB 3.92Å; F75-I413 HydrophobicContact CZ-CD1 3.95Å; F75-I413 HydrophobicContact CZ-CG2 3.74Å; F75-I413 PolarHBondContact N-O 2.91Å; F75-I413 PolarHBondContact O-N 3.07Å; F75-I415 HydrophobicContact CE1-CD1 4.21Å
76T98.7Very high98.5Very high6 Ų655.3 Ų55.34%0.03729%0.291CS..EExtended strand (participates in β ladder)trans-110.7152.2178.6640000111.9G63 T64 I66 Q410 K411G63-T76 WeakPolarHBondContact CA-O 3.34Å; T64-T76 PolarHBondContact N-OG1 3.29Å; T64-T76 PolarHBondContact O-N 3.24Å; I66-T76 HydrophobicContact CD1-CG2 3.73Å; T76-Q410 HydrophobicContact CG2-CG 4.3Å; T76-K411 CarbonylContact C-O 3.6Å; T76-K411 VanDerWaalsContact CA-O 3.23Å; T76-K411 WeakPolarHBondContact CA-O 3.47Å
77R98.5Very high98.5Very high132 Ų13252.7 Ų52.750%0.49828%0.278SS..EExtended strand (participates in β ladder)trans-117.9135.6164.2-68.617361.687.62108.3E79 K411 I413R77-E79 HydrophobicContact CB-CG 4.27Å; R77-E79 IonicContact NE-OE1 2.95Å; R77-E79 PolarHBondContact NE-OE1 2.75Å; R77-K411 PolarHBondContact N-O 3.36Å; R77-K411 PolarHBondContact O-N 2.55Å; R77-I413 VanDerWaalsContact CD-CD1 3.49Å; R77-I413 HydrophobicContact CG-CD1 4.04Å
78Y98.5Very high98.6Very high79 Ų7947.2 Ų47.231%0.3124%0.242SC..EExtended strand (participates in β ladder)trans-95.5110.1163.9-72.2-68.7000108.3I61 H62 Q410I61-Y78 HydrophobicContact CG2-CD2 4.48Å; I61-Y78 HydrophobicContact CG2-CG 4.39Å; H62-Y78 WeakPolarHBondContact O-CD2 3.33Å; H62-Y78 VanDerWaalsContact O-CE2 3.23Å; H62-Y78 WeakPolarHBondContact O-CE2 3.43Å; Y78-Q410 HydrophobicContact CD1-CB 3.98Å; Y78-Q410 HydrophobicContact CD1-CG 4.17Å; Y78-Q410 HydrophobicContact CE1-CB 3.69Å; Y78-Q410 HydrophobicContact CE1-CG 3.67Å; Y78-Q410 VanDerWaalsContact CE1-OE1 3.26Å; Y78-Q410 PolarHBondContact OH-OE1 3.18Å
79E98.8Very high98.6Very high47 Ų4744.2 Ų44.222%0.2223%0.228CC..EExtended strand (participates in β ladder)trans-99.4155.5178.2-63.3-176.4173.200109.2R77 T408 E409 K411R77-E79 HydrophobicContact CB-CG 4.27Å; R77-E79 IonicContact NE-OE1 2.95Å; R77-E79 PolarHBondContact NE-OE1 2.75Å; E79-T408 CarbonylContact O-C 3.45Å; E79-T408 VanDerWaalsContact O-CA 3.27Å; E79-T408 WeakPolarHBondContact O-CA 3.46Å; E79-E409 PolarHBondContact N-O 3.31Å; E79-E409 PolarHBondContact O-N 2.85Å; E79-K411 WeakPolarHBondContact OE1-CE 3.48Å; E79-K411 IonicContact OE1-NZ 2.72Å; E79-K411 PolarHBondContact OE1-NZ 2.85Å; E79-K411 VanDerWaalsContact OE2-CE 3.28Å; E79-K411 WeakPolarHBondContact OE2-CE 3.3Å; E79-K411 IonicContact OE2-NZ 2.81Å; E79-K411 PolarHBondContact OE2-NZ 2.91Å
80P98.8Very high98.7Very high60 Ų6039.3 Ų39.339%0.3920%0.199SC..EExtended strand (participates in β ladder)trans-58.8146.8166.826-33.6000109.5G82 C107 G108P80-G82 VanDerWaalsContact C-N 3.35Å; P80-C107 WeakPolarHBondContact CB-O 3.49Å; P80-G108 WeakPolarHBondContact CB-O 3.41Å
81I98.8Very high98.7Very high22 Ų2238 Ų3811%0.11318%0.184CC..  trans-65.5-42.1174.7-63.1171.6000110.4N109 D161 K162 R186 E406 E409I81-N109 WeakPolarHBondContact CA-OD1 3.35Å; I81-N109 PolarHBondContact N-OD1 2.84Å; I81-D161 HydrophobicContact CG2-CB 3.74Å; I81-K162 HydrophobicContact CD1-CB 4.41Å; I81-K162 HydrophobicContact CD1-CD 3.65Å; I81-K162 HydrophobicContact CG2-CB 4.03Å; I81-R186 VanDerWaalsContact CD1-NH1 3.32Å; I81-E406 WeakPolarHBondContact CD1-O 3.49Å; I81-E409 HydrophobicContact CG1-CB 4.4Å
82G98.8Very high98.7Very high24 Ų2435 Ų3525%0.24717%0.17CC..SBendtrans136.6-122.1-179.600000112.6P80 N109 T110 D161P80-G82 VanDerWaalsContact C-N 3.35Å; G82-N109 PolarHBondContact N-OD1 2.91Å; G82-N109 WeakPolarHBondContact O-CB 3.45Å; G82-T110 PolarHBondContact O-N 3.36Å; G82-D161 WeakPolarHBondContact CA-OD2 3.38Å
83V98.9Very high98.7Very high43 Ų4331.2 Ų31.226%0.26116%0.155SC..EExtended strand (participates in β ladder)trans-85.6114.6177-175.70000109.8V112 I160 D161 K162V83-V112 HydrophobicContact CG1-CG2 4.24Å; V83-I160 HydrophobicContact CG1-CG1 4.05Å; V83-D161 PolarHBondContact N-OD2 3.13Å; V83-D161 PolarHBondContact O-N 2.78Å; V83-K162 PolarHBondContact O-N 3.5Å
84C98.9Very high98.6Very high0 Ų027.3 Ų27.30%013%0.134CC..EExtended strand (participates in β ladder)trans-101.9112.4178.6-65.30000111.1Q86 T110 V111 V112 K162 Y407C84-Q86 HydrophobicContact CB-CG 4.48Å; C84-T110 PolarHBondContact N-O 3.25Å; C84-V111 WeakPolarHBondContact O-CA 3.35Å; C84-V112 PolarHBondContact O-N 3.48Å; C84-K162 CarbonylContact C-O 3.53Å; C84-K162 WeakPolarHBondContact CA-O 3.19Å; C84-Y407 HydrophobicContact CB-CE1 4.3Å
85G98.9Very high98.6Very high0 Ų028 Ų280%014%0.137CC..EExtended strand (participates in β ladder)trans-74.5127.6165.200000110.6V112 K162 V163 A164G85-V112 CarbonylContact C-O 3.55Å; G85-V112 WeakPolarHBondContact CA-O 3.33Å; G85-K162 PolarHBondContact N-O 2.87Å; G85-V163 CarbonylContact O-C 3.23Å; G85-V163 VanDerWaalsContact O-CA 3.24Å; G85-V163 WeakPolarHBondContact O-CA 3.26Å; G85-A164 PolarHBondContact O-N 2.89Å
86Q98.9Very high98.6Very high0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-129.1122.3-177.4-62.5-176.2-33.200109.8C84 K100 V111 V112 L113 K114 A164 Y407C84-Q86 HydrophobicContact CB-CG 4.48Å; Q86-K100 HydrophobicContact CB-CB 4.3Å; Q86-K100 HydrophobicContact CG-CB 4.34Å; Q86-K100 VanDerWaalsContact NE2-C 3.29Å; Q86-K100 PolarHBondContact NE2-O 2.87Å; Q86-V111 HydrophobicContact CB-CG1 4.44Å; Q86-V111 HydrophobicContact CG-CG1 4.17Å; Q86-V112 PolarHBondContact N-O 3.47Å; Q86-L113 HydrophobicContact CB-CB 4.31Å; Q86-L113 HydrophobicContact CB-CD1 4.32Å; Q86-L113 HydrophobicContact CB-CG 4.25Å; Q86-L113 CarbonylContact O-C 3.55Å; Q86-L113 VanDerWaalsContact O-CA 3.24Å; Q86-L113 WeakPolarHBondContact O-CA 3.26Å; Q86-K114 PolarHBondContact O-N 2.64Å; Q86-A164 WeakPolarHBondContact CA-O 3.39Å; Q86-A164 HydrophobicContact CG-CB 4.44Å; Q86-Y407 PolarHBondContact NE2-OH 2.64Å
87I98.9Very high98.6Very high11 Ų1125.1 Ų25.16%0.05613%0.125CC..EExtended strand (participates in β ladder)trans-121.5119.9-177.1-58.2167000107.8K114 I154 V163 A164 F165 T166 I175I87-K114 HydrophobicContact CG1-CB 4.36Å; I87-K114 HydrophobicContact CG2-CD 4.18Å; I87-I154 HydrophobicContact CD1-CB 4.38Å; I87-I154 HydrophobicContact CD1-CG2 4.15Å; I87-I154 HydrophobicContact CG1-CD1 4.47Å; I87-I154 HydrophobicContact CG1-CG2 4.3Å; I87-V163 HydrophobicContact CD1-CG2 4.33Å; I87-A164 PolarHBondContact N-O 2.89Å; I87-F165 HydrophobicContact CB-CD2 3.83Å; I87-F165 HydrophobicContact CD1-CD2 4.47Å; I87-F165 HydrophobicContact CG2-CD2 3.69Å; I87-F165 HydrophobicContact CG2-CE2 3.95Å; I87-T166 PolarHBondContact O-N 3.48Å; I87-I175 HydrophobicContact CD1-CD1 3.88Å
88I98.9Very high98.6Very high5 Ų519 Ų193%0.02610%0.102CC..  trans-118.2151.8-172.362.5170.4000112.6M96 T97 K100 L113 K114 P115 A116I88-M96 HydrophobicContact CB-CB 3.98Å; I88-M96 HydrophobicContact CD1-CB 4.35Å; I88-M96 HydrophobicContact CG2-CB 4.06Å; I88-T97 VanDerWaalsContact CD1-OG1 3.24Å; I88-T97 WeakPolarHBondContact CD1-OG1 3.39Å; I88-K100 HydrophobicContact CG2-CB 4.5Å; I88-K100 HydrophobicContact CG2-CG 3.62Å; I88-L113 HydrophobicContact CD1-CD2 4Å; I88-L113 HydrophobicContact CG1-CD2 4.29Å; I88-K114 PolarHBondContact N-O 2.9Å; I88-K114 VanDerWaalsContact N-O 3.17Å; I88-P115 HydrophobicContact CD1-CB 4.43Å; I88-P115 HydrophobicContact CG1-CB 4.43Å; I88-A116 PolarHBondContact O-N 2.69Å
89P98.8Very high98.7Very high15 Ų1515.9 Ų15.910%0.0979%0.09CC..  trans-83.5176.8-179.438.1-40.4000111.5N91 M96 T166P89-N91 WeakPolarHBondContact CB-OD1 3.41Å; P89-N91 WeakPolarHBondContact CG-OD1 3.26Å; P89-M96 HydrophobicContact CG-CG 4.04Å; P89-T166 WeakPolarHBondContact CD-O 3.26Å; P89-T166 HydrophobicContact CG-CG2 3.84Å
90W98.7Very high98.7Very high39 Ų3913.6 Ų13.615%0.1488%0.079CC..SBendtrans-89.7-10.9-177.849.4-101.9000114.5P93 A116 Q118 T119 Q222 I267 H271 F323W90-P93 VanDerWaalsContact O-CD 3.27Å; W90-P93 WeakPolarHBondContact O-CD 3.46Å; W90-P93 WeakPolarHBondContact O-CG 3.19Å; W90-A116 HydrophobicContact CB-CB 3.61Å; W90-A116 HydrophobicContact CG-CB 4.41Å; W90-Q118 HydrophobicContact CB-CB 3.99Å; W90-Q118 HydrophobicContact CG-CB 4.45Å; W90-T119 VanDerWaalsContact CA-OG1 3.24Å; W90-T119 WeakPolarHBondContact CA-OG1 3.43Å; W90-T119 HydrophobicContact CB-CG2 3.9Å; W90-T119 WeakPolarHBondContact CB-OG1 3.46Å; W90-Q222 HydrophobicContact CH2-CB 3.8Å; W90-Q222 HydrophobicContact CH2-CG 3.75Å; W90-Q222 VanDerWaalsContact CH2-OE1 3.32Å; W90-Q222 HydrophobicContact CZ3-CB 3.7Å; W90-Q222 HydrophobicContact CZ3-CG 3.85Å; W90-Q222 VanDerWaalsContact CZ3-OE1 3.29Å; W90-I267 HydrophobicContact CB-CG1 4.28Å; W90-I267 HydrophobicContact CD2-CB 4.02Å; W90-I267 HydrophobicContact CD2-CG1 3.86Å; W90-I267 HydrophobicContact CD2-CG2 3.77Å; W90-I267 HydrophobicContact CE3-CB 3.51Å; W90-I267 HydrophobicContact CE3-CD1 4.19Å; W90-I267 HydrophobicContact CE3-CG1 3.62Å; W90-I267 HydrophobicContact CE3-CG2 3.66Å; W90-I267 HydrophobicContact CG-CG1 4.14Å; W90-I267 HydrophobicContact CH2-CB 4.09Å; W90-I267 HydrophobicContact CH2-CG2 3.54Å; W90-I267 HydrophobicContact CZ2-CG2 3.65Å; W90-I267 HydrophobicContact CZ3-CB 3.58Å; W90-I267 HydrophobicContact CZ3-CG1 4.23Å; W90-I267 HydrophobicContact CZ3-CG2 3.57Å; W90-H271 AromaticContact CH2-CD2 3.96Å; W90-H271 AromaticContact CH2-NE2 3.96Å; W90-F323 AromaticContact CH2-CD1 3.52Å; W90-F323 HydrophobicContact CH2-CD1 3.52Å; W90-F323 AromaticContact CH2-CE1 3.45Å; W90-F323 HydrophobicContact CH2-CE1 3.45Å; W90-F323 VanDerWaalsContact CH2-CE1 3.45Å; W90-F323 AromaticContact CZ2-CD1 3.77Å; W90-F323 HydrophobicContact CZ2-CD1 3.77Å; W90-F323 AromaticContact CZ2-CE1 3.67Å; W90-F323 HydrophobicContact CZ2-CE1 3.67Å; W90-F323 HydrophobicContact CZ3-CE1 4.15Å
91N98.6Very high98.6Very high9 Ų910.9 Ų10.95%0.0486%0.061CC..SBendtrans-83.6-22-167.469.2-43.3000113.9K34 P89 N219 Q222 F323K34-N91 WeakPolarHBondContact CE-O 3.45Å; K34-N91 PolarHBondContact NZ-O 3.1Å; P89-N91 WeakPolarHBondContact CB-OD1 3.41Å; P89-N91 WeakPolarHBondContact CG-OD1 3.26Å; N91-N219 PolarHBondContact O-ND2 3.25Å; N91-Q222 HydrophobicContact CB-CB 4.29Å; N91-Q222 WeakPolarHBondContact CB-O 3.16Å; N91-Q222 PolarHBondContact ND2-O 3.38Å; N91-F323 HydrophobicContact CB-CE1 3.91Å; N91-F323 HydrophobicContact CB-CZ 4.09Å; N91-F323 WeakPolarHBondContact ND2-CZ 3.28Å
92F98.6Very high98.6Very high9 Ų99.8 Ų9.84%0.0396%0.056CC..SBendtrans-142.767.8167.2-63.2-96.9000111.3K34 D43 L94 M95 M96 F218 N219 C223K34-F92 VanDerWaalsContact NZ-CE1 3.26Å; D43-F92 VanDerWaalsContact OD1-CD1 3.26Å; D43-F92 WeakPolarHBondContact OD1-CD1 3.4Å; F92-L94 PolarHBondContact O-N 3.29Å; F92-M95 HydrophobicContact CB-CB 4.04Å; F92-M95 HydrophobicContact CB-CE 3.86Å; F92-M95 HydrophobicContact CD1-CE 3.63Å; F92-M95 HydrophobicContact CD1-SD 4.47Å; F92-M95 HydrophobicContact CD2-CE 4.27Å; F92-M95 HydrophobicContact CE1-CE 4.31Å; F92-M95 HydrophobicContact CG-CE 3.67Å; F92-M95 PolarHBondContact O-N 3.01Å; F92-M96 HydrophobicContact CB-CG 4.16Å; F92-M96 VanDerWaalsContact O-CB 3.27Å; F92-M96 WeakPolarHBondContact O-CB 3.31Å; F92-M96 VanDerWaalsContact O-CG 3.23Å; F92-M96 WeakPolarHBondContact O-CG 3.29Å; F92-M96 PolarHBondContact O-N 3.21Å; F92-F218 AromaticContact CE1-CE1 3.66Å; F92-F218 HydrophobicContact CE1-CE1 3.66Å; F92-F218 HydrophobicContact CE1-CZ 4.07Å; F92-F218 HydrophobicContact CZ-CD1 4.2Å; F92-F218 AromaticContact CZ-CE1 3.57Å; F92-F218 HydrophobicContact CZ-CE1 3.57Å; F92-F218 HydrophobicContact CZ-CZ 4.4Å; F92-N219 HydrophobicContact CE1-CB 4.43Å; F92-N219 WeakPolarHBondContact CE2-ND2 3.35Å; F92-N219 HydrophobicContact CZ-CB 3.83Å; F92-N219 WeakPolarHBondContact CZ-ND2 3.34Å; F92-C223 HydrophobicContact CE2-CB 4.24Å; F92-C223 HydrophobicContact CZ-CB 4.42Å
93P98.6Very high98.6Very high0 Ų08.8 Ų8.80%05%0.045CC..Hα-helixtrans-54.9-50.6-169.4-24.130.6000114.6E28 W90 T97 T119E28-P93 WeakPolarHBondContact OE1-CB 3.4Å; E28-P93 WeakPolarHBondContact OE1-CD 3.28Å; W90-P93 VanDerWaalsContact O-CD 3.27Å; W90-P93 WeakPolarHBondContact O-CD 3.46Å; W90-P93 WeakPolarHBondContact O-CG 3.19Å; P93-T97 WeakPolarHBondContact O-CB 3.44Å; P93-T97 PolarHBondContact O-N 3.39Å; P93-T97 PolarHBondContact O-OG1 2.62Å; P93-T119 VanDerWaalsContact CG-CB 3.44Å; P93-T119 HydrophobicContact CG-CG2 3.93Å; P93-T119 VanDerWaalsContact CG-OG1 3.27Å; P93-T119 WeakPolarHBondContact CG-OG1 3.2Å
94L96.6Very high98.6Very high0 Ų06.7 Ų6.70%03%0.032CC..Hα-helixtrans-63.4-51178.8-80172.4000112L24 E28 L44 F92 M96 T97 A98 T122 I126L24-L94 HydrophobicContact CB-CD1 4.21Å; L24-L94 HydrophobicContact CD2-CD2 4.02Å; E28-L94 HydrophobicContact CB-CD1 3.87Å; E28-L94 HydrophobicContact CG-CD1 3.97Å; E28-L94 HydrophobicContact CG-CG 4.41Å; E28-L94 WeakPolarHBondContact OE1-CB 3.25Å; E28-L94 PolarHBondContact OE1-N 3.09Å; L44-L94 HydrophobicContact CD1-CD1 4.37Å; L44-L94 HydrophobicContact CD2-CD1 3.43Å; L44-L94 VanDerWaalsContact CD2-CD1 3.43Å; F92-L94 PolarHBondContact O-N 3.29Å; L94-M96 PolarHBondContact O-N 3.04Å; L94-T97 WeakPolarHBondContact O-CB 3.48Å; L94-T97 PolarHBondContact O-N 3.07Å; L94-A98 PolarHBondContact O-N 3.16Å; L94-A98 VanDerWaalsContact O-N 3.1Å; L94-T122 HydrophobicContact CD1-CG2 4.19Å; L94-T122 HydrophobicContact CD2-CG2 4.32Å; L94-T122 HydrophobicContact CG-CG2 4.11Å; L94-I126 HydrophobicContact CD2-CD1 3.49Å; L94-I126 VanDerWaalsContact CD2-CD1 3.49Å; L94-I126 HydrophobicContact CD2-CG1 4.03Å
95M98.1Very high98.6Very high20 Ų206.9 Ų6.910%0.0993%0.033CC..Hα-helixtrans-63.8-44.2-176.7-171.6174.975.500111.3A46 T47 F92 T97 A98 W99A46-M95 HydrophobicContact CB-CG 4.13Å; A46-M95 HydrophobicContact CB-SD 3.74Å; T47-M95 WeakPolarHBondContact OG1-CA 3.14Å; T47-M95 PolarHBondContact OG1-N 2.91Å; F92-M95 HydrophobicContact CB-CB 4.04Å; F92-M95 HydrophobicContact CB-CE 3.86Å; F92-M95 HydrophobicContact CD1-CE 3.63Å; F92-M95 HydrophobicContact CD1-SD 4.47Å; F92-M95 HydrophobicContact CD2-CE 4.27Å; F92-M95 HydrophobicContact CE1-CE 4.31Å; F92-M95 HydrophobicContact CG-CE 3.67Å; F92-M95 PolarHBondContact O-N 3.01Å; M95-T97 VanDerWaalsContact C-N 3.32Å; M95-T97 PolarHBondContact O-N 3.18Å; M95-A98 PolarHBondContact O-N 3.01Å; M95-W99 HydrophobicContact CE-CZ2 4.01Å; M95-W99 HydrophobicContact CG-CZ2 4.49Å; M95-W99 VanDerWaalsContact CG-NE1 3.28Å; M95-W99 PolarHBondContact O-N 2.75Å; M95-W99 HydrophobicContact SD-CZ2 4.18Å
96M98.8Very high98.6Very high12 Ų126.9 Ų6.96%0.0593%0.033CC..Hα-helixtrans-66.3-34.3177.7-68.6-62.6101.500112.2I88 P89 F92 L94 A98 W99 K100 T166I88-M96 HydrophobicContact CB-CB 3.98Å; I88-M96 HydrophobicContact CD1-CB 4.35Å; I88-M96 HydrophobicContact CG2-CB 4.06Å; P89-M96 HydrophobicContact CG-CG 4.04Å; F92-M96 HydrophobicContact CB-CG 4.16Å; F92-M96 VanDerWaalsContact O-CB 3.27Å; F92-M96 WeakPolarHBondContact O-CB 3.31Å; F92-M96 VanDerWaalsContact O-CG 3.23Å; F92-M96 WeakPolarHBondContact O-CG 3.29Å; F92-M96 PolarHBondContact O-N 3.21Å; L94-M96 PolarHBondContact O-N 3.04Å; M96-A98 VanDerWaalsContact C-N 3.35Å; M96-W99 HydrophobicContact CE-CB 4.48Å; M96-W99 HydrophobicContact CE-CD2 3.53Å; M96-W99 HydrophobicContact CE-CE3 3.59Å; M96-W99 HydrophobicContact CE-CG 3.96Å; M96-W99 HydrophobicContact CE-CH2 4.28Å; M96-W99 HydrophobicContact CE-CZ2 4.22Å; M96-W99 HydrophobicContact CE-CZ3 3.98Å; M96-W99 PolarHBondContact O-N 2.88Å; M96-W99 HydrophobicContact SD-CE3 4.48Å; M96-K100 WeakPolarHBondContact O-CB 3.33Å; M96-K100 WeakPolarHBondContact O-CG 3.48Å; M96-K100 PolarHBondContact O-N 3.08Å; M96-K100 VanDerWaalsContact O-N 3.15Å; M96-T166 HydrophobicContact SD-CG2 4.1Å
97T98.8Very high98.6Very high1 Ų17.2 Ų7.21%0.0064%0.036CC..Hα-helixtrans-59-47.8171.4-60.50000110.7I88 P93 L94 M95 K100 L101 L113 C123 I126I88-T97 VanDerWaalsContact CD1-OG1 3.24Å; I88-T97 WeakPolarHBondContact CD1-OG1 3.39Å; P93-T97 WeakPolarHBondContact O-CB 3.44Å; P93-T97 PolarHBondContact O-N 3.39Å; P93-T97 PolarHBondContact O-OG1 2.62Å; L94-T97 WeakPolarHBondContact O-CB 3.48Å; L94-T97 PolarHBondContact O-N 3.07Å; M95-T97 VanDerWaalsContact C-N 3.32Å; M95-T97 PolarHBondContact O-N 3.18Å; T97-K100 PolarHBondContact O-N 3.24Å; T97-L101 WeakPolarHBondContact O-CB 3.37Å; T97-L101 PolarHBondContact O-N 2.73Å; T97-L113 HydrophobicContact CG2-CD1 4.19Å; T97-C123 PolarHBondContact OG1-SG 3.01Å; T97-I126 HydrophobicContact CG2-CD1 3.82Å; T97-I126 HydrophobicContact CG2-CG2 4.18Å
98A98.8Very high98.6Very high3 Ų38.1 Ų8.13%0.0255%0.047CC..Hα-helixtrans-66.4-42.6178.900000113T47 T50 L51 L94 M95 M96 K100 A102T47-A98 HydrophobicContact CG2-CB 3.95Å; T50-A98 HydrophobicContact CG2-CB 4.1Å; L51-A98 HydrophobicContact CD2-CB 4.46Å; L51-A98 HydrophobicContact CG-CB 4.29Å; L94-A98 PolarHBondContact O-N 3.16Å; L94-A98 VanDerWaalsContact O-N 3.1Å; M95-A98 PolarHBondContact O-N 3.01Å; M96-A98 VanDerWaalsContact C-N 3.35Å; A98-K100 PolarHBondContact O-N 2.66Å; A98-A102 WeakPolarHBondContact O-CB 3.07Å; A98-A102 PolarHBondContact O-N 2.86Å
99W98.8Very high98.6Very high13 Ų138 Ų85%0.0495%0.047CC..Hα-helixtrans-59.1-32.6178.5-77.233.5000112.5M95 M96 P103 L381 F387 E398 L399M95-W99 HydrophobicContact CE-CZ2 4.01Å; M95-W99 HydrophobicContact CG-CZ2 4.49Å; M95-W99 VanDerWaalsContact CG-NE1 3.28Å; M95-W99 PolarHBondContact O-N 2.75Å; M95-W99 HydrophobicContact SD-CZ2 4.18Å; M96-W99 HydrophobicContact CE-CB 4.48Å; M96-W99 HydrophobicContact CE-CD2 3.53Å; M96-W99 HydrophobicContact CE-CE3 3.59Å; M96-W99 HydrophobicContact CE-CG 3.96Å; M96-W99 HydrophobicContact CE-CH2 4.28Å; M96-W99 HydrophobicContact CE-CZ2 4.22Å; M96-W99 HydrophobicContact CE-CZ3 3.98Å; M96-W99 PolarHBondContact O-N 2.88Å; M96-W99 HydrophobicContact SD-CE3 4.48Å; W99-P103 WeakPolarHBondContact O-CD 3.26Å; W99-P103 WeakPolarHBondContact O-CG 3.49Å; W99-L381 HydrophobicContact CH2-CD1 4.3Å; W99-F387 HydrophobicContact CH2-CD1 4.22Å; W99-F387 HydrophobicContact CH2-CG 4.36Å; W99-F387 HydrophobicContact CZ3-CB 4.45Å; W99-F387 AromaticContact CZ3-CD1 3.76Å; W99-F387 HydrophobicContact CZ3-CD1 3.76Å; W99-F387 HydrophobicContact CZ3-CE1 4.32Å; W99-F387 HydrophobicContact CZ3-CG 4.24Å; W99-E398 HydrophobicContact CE3-CB 4.37Å; W99-L399 HydrophobicContact CD2-CD1 4.13Å; W99-L399 HydrophobicContact CD2-CD2 3.72Å; W99-L399 HydrophobicContact CD2-CG 4Å; W99-L399 HydrophobicContact CE3-CD1 4.19Å; W99-L399 HydrophobicContact CE3-CD2 4.25Å; W99-L399 HydrophobicContact CE3-CG 4.04Å; W99-L399 HydrophobicContact CG-CD2 3.84Å; W99-L399 HydrophobicContact CH2-CD1 3.62Å; W99-L399 HydrophobicContact CH2-CG 4.38Å; W99-L399 HydrophobicContact CZ2-CD1 3.56Å; W99-L399 HydrophobicContact CZ2-CD2 4.48Å; W99-L399 HydrophobicContact CZ2-CG 4.34Å; W99-L399 HydrophobicContact CZ3-CD1 3.94Å; W99-L399 HydrophobicContact CZ3-CG 4.23Å
100K98.9Very high98.6Very high0 Ų09.6 Ų9.60%06%0.056CC..Hα-helixtrans-86-53179-65.2-67179.9-68.20112.2Q86 I88 M96 T97 A98 A104 L113 A164 T166 E398Q86-K100 HydrophobicContact CB-CB 4.3Å; Q86-K100 HydrophobicContact CG-CB 4.34Å; Q86-K100 VanDerWaalsContact NE2-C 3.29Å; Q86-K100 PolarHBondContact NE2-O 2.87Å; I88-K100 HydrophobicContact CG2-CB 4.5Å; I88-K100 HydrophobicContact CG2-CG 3.62Å; M96-K100 WeakPolarHBondContact O-CB 3.33Å; M96-K100 WeakPolarHBondContact O-CG 3.48Å; M96-K100 PolarHBondContact O-N 3.08Å; M96-K100 VanDerWaalsContact O-N 3.15Å; T97-K100 PolarHBondContact O-N 3.24Å; A98-K100 PolarHBondContact O-N 2.66Å; K100-A104 WeakPolarHBondContact O-CB 2.82Å; K100-L113 HydrophobicContact CB-CD1 4.5Å; K100-A164 HydrophobicContact CD-CB 4Å; K100-T166 WeakPolarHBondContact CE-OG1 3.27Å; K100-T166 PolarHBondContact NZ-OG1 3.47Å; K100-E398 VanDerWaalsContact CD-OE1 3.22Å; K100-E398 WeakPolarHBondContact CD-OE1 3.36Å; K100-E398 WeakPolarHBondContact CE-OE1 3.28Å; K100-E398 IonicContact NZ-OE1 2.59Å; K100-E398 PolarHBondContact NZ-OE1 3.37Å; K100-E398 IonicContact NZ-OE2 3.29Å; K100-E398 PolarHBondContact NZ-OE2 3.48Å
101L98.3Very high98.6Very high2 Ų27.7 Ų7.71%0.015%0.049CC..Hα-helixtrans-68.3-42.8-171.6-177.5148.7000112L10 L13 L51 T97 A104 V105 I140L10-L101 HydrophobicContact CD2-CD2 4.12Å; L13-L101 HydrophobicContact CD2-CD2 4.15Å; L51-L101 HydrophobicContact CD2-CD2 4.48Å; T97-L101 WeakPolarHBondContact O-CB 3.37Å; T97-L101 PolarHBondContact O-N 2.73Å; L101-A104 PolarHBondContact O-N 2.59Å; L101-V105 HydrophobicContact CD2-CG2 4.11Å; L101-V105 HydrophobicContact CG-CG2 4.15Å; L101-V105 WeakPolarHBondContact O-CB 3.26Å; L101-V105 VanDerWaalsContact O-CG2 3.29Å; L101-V105 WeakPolarHBondContact O-CG2 3.38Å; L101-V105 PolarHBondContact O-N 2.69Å; L101-I140 HydrophobicContact CD1-CB 4.39Å; L101-I140 HydrophobicContact CD1-CD1 3.8Å; L101-I140 HydrophobicContact CD1-CG1 3.81Å; L101-I140 HydrophobicContact CD1-CG2 3.63Å; L101-I140 HydrophobicContact CD2-CD1 4.14Å; L101-I140 HydrophobicContact CG-CD1 4.18Å; L101-I140 HydrophobicContact CG-CG1 4.23Å
102A98.8Very high98.7Very high0 Ų08.6 Ų8.60%06%0.055CC..Hα-helixtrans-62.4-52.9-171.600000113.8L10 T50 L51 F54 A98 A106L10-A102 HydrophobicContact CD2-CB 4.49Å; T50-A102 HydrophobicContact CG2-CB 4.22Å; L51-A102 HydrophobicContact CD2-CB 4.07Å; F54-A102 HydrophobicContact CB-CB 3.8Å; F54-A102 HydrophobicContact CD2-CB 3.7Å; F54-A102 HydrophobicContact CG-CB 4.09Å; A98-A102 WeakPolarHBondContact O-CB 3.07Å; A98-A102 PolarHBondContact O-N 2.86Å; A102-A106 VanDerWaalsContact O-CB 3.28Å; A102-A106 WeakPolarHBondContact O-CB 3.3Å; A102-A106 PolarHBondContact O-N 3.38Å
103P98.9Very high98.7Very high2 Ų28.1 Ų8.11%0.0135%0.053CC..Hα-helixtrans-66.3-38177.425.1-33.6000112.6F54 W99 V105 A106 C107 L404 Y407F54-P103 HydrophobicContact CD1-CB 3.98Å; F54-P103 HydrophobicContact CD2-CB 4.38Å; F54-P103 HydrophobicContact CD2-CG 4.5Å; F54-P103 HydrophobicContact CE1-CB 3.74Å; F54-P103 HydrophobicContact CE2-CB 4.14Å; F54-P103 HydrophobicContact CE2-CG 4.16Å; F54-P103 HydrophobicContact CG-CB 4.29Å; F54-P103 HydrophobicContact CZ-CB 3.81Å; F54-P103 HydrophobicContact CZ-CG 4.2Å; W99-P103 WeakPolarHBondContact O-CD 3.26Å; W99-P103 WeakPolarHBondContact O-CG 3.49Å; P103-V105 PolarHBondContact O-N 2.59Å; P103-A106 PolarHBondContact O-N 3.32Å; P103-C107 PolarHBondContact O-N 3.06Å; P103-C107 PolarHBondContact O-SG 2.82Å; P103-C107 VanDerWaalsContact O-SG 3.37Å; P103-L404 HydrophobicContact CB-CD2 4.26Å; P103-Y407 HydrophobicContact CB-CD2 3.84Å; P103-Y407 HydrophobicContact CB-CE2 4.08Å; P103-Y407 HydrophobicContact CG-CD2 4.05Å; P103-Y407 HydrophobicContact CG-CE2 3.75Å
104A98.9Very high98.7Very high0 Ų08.3 Ų8.30%05%0.053CC..Hα-helixtrans-59.2-49.6179.200000111.5K100 L101 C107 G108 N109 V111 Y407K100-A104 WeakPolarHBondContact O-CB 2.82Å; L101-A104 PolarHBondContact O-N 2.59Å; A104-C107 PolarHBondContact O-N 3.31Å; A104-G108 PolarHBondContact O-N 2.86Å; A104-N109 HydrophobicContact CB-CB 4.34Å; A104-N109 VanDerWaalsContact O-CB 3.29Å; A104-N109 WeakPolarHBondContact O-CB 3.15Å; A104-N109 PolarHBondContact O-N 2.9Å; A104-N109 PolarHBondContact O-ND2 3.43Å; A104-V111 HydrophobicContact CB-CG2 3.82Å; A104-Y407 HydrophobicContact CB-CD1 3.65Å; A104-Y407 HydrophobicContact CB-CE1 3.6Å; A104-Y407 HydrophobicContact CB-CG 4.23Å
105V98.7Very high98.8Very high4 Ų48.3 Ų8.32%0.0245%0.053CC..Hα-helixtrans-70.2-38.2179.9170.40000111.7R6 L10 L101 P103 C107 G108 F135 I140R6-V105 WeakPolarHBondContact CD-O 3.17Å; R6-V105 PolarHBondContact NE-O 3.36Å; L10-V105 HydrophobicContact CD1-CB 4.48Å; L10-V105 HydrophobicContact CD1-CG1 4.18Å; L10-V105 HydrophobicContact CD2-CB 4.23Å; L10-V105 HydrophobicContact CD2-CG1 4Å; L10-V105 HydrophobicContact CG-CG1 4Å; L101-V105 HydrophobicContact CD2-CG2 4.11Å; L101-V105 HydrophobicContact CG-CG2 4.15Å; L101-V105 WeakPolarHBondContact O-CB 3.26Å; L101-V105 VanDerWaalsContact O-CG2 3.29Å; L101-V105 WeakPolarHBondContact O-CG2 3.38Å; L101-V105 PolarHBondContact O-N 2.69Å; P103-V105 PolarHBondContact O-N 2.59Å; V105-C107 VanDerWaalsContact C-N 3.28Å; V105-C107 PolarHBondContact O-N 3.4Å; V105-G108 WeakPolarHBondContact O-CA 3.36Å; V105-G108 PolarHBondContact O-N 3.17Å; V105-F135 HydrophobicContact CG1-CD1 4.42Å; V105-F135 HydrophobicContact CG1-CE1 3.52Å; V105-F135 HydrophobicContact CG1-CZ 4.19Å; V105-I140 HydrophobicContact CG2-CD1 4.24Å; V105-I140 HydrophobicContact CG2-CG1 4.19Å
106A98.8Very high98.8Very high0 Ų07.6 Ų7.60%05%0.05CC..Hα-helixtrans-57.5-43.4175.200000111.3R6 L10 F54 A58 A102 P103 G108 L404R6-A106 PolarHBondContact NE-O 2.65Å; R6-A106 PolarHBondContact NH2-O 3.49Å; L10-A106 HydrophobicContact CD1-CB 3.92Å; F54-A106 HydrophobicContact CB-CB 4.24Å; F54-A106 WeakPolarHBondContact O-CB 3.33Å; A58-A106 HydrophobicContact CB-CB 4.32Å; A102-A106 VanDerWaalsContact O-CB 3.28Å; A102-A106 WeakPolarHBondContact O-CB 3.3Å; A102-A106 PolarHBondContact O-N 3.38Å; P103-A106 PolarHBondContact O-N 3.32Å; A106-G108 PolarHBondContact O-N 3.25Å; A106-L404 HydrophobicContact CB-CD2 4.4Å
107C98.9Very high98.8Very high7 Ų710.3 Ų10.35%0.0476%0.063CC..THydrogen-bonded Turntrans-71.5-9.4174.1-65.50000114.2I61 P80 P103 A104 V105 N109 L404 Y407 T408I61-C107 HydrophobicContact CD1-CB 4.27Å; P80-C107 WeakPolarHBondContact CB-O 3.49Å; P103-C107 PolarHBondContact O-N 3.06Å; P103-C107 PolarHBondContact O-SG 2.82Å; P103-C107 VanDerWaalsContact O-SG 3.37Å; A104-C107 PolarHBondContact O-N 3.31Å; V105-C107 VanDerWaalsContact C-N 3.28Å; V105-C107 PolarHBondContact O-N 3.4Å; C107-N109 WeakPolarHBondContact CB-ND2 3.38Å; C107-L404 VanDerWaalsContact SG-CD2 3.58Å; C107-Y407 WeakPolarHBondContact CB-O 3.3Å; C107-T408 HydrophobicContact CB-CG2 4.16Å
108G98.8Very high98.8Very high29 Ų2913.2 Ų13.230%0.2998%0.076SC..THydrogen-bonded Turntrans89.917.7177.500000115.3P80 A104 V105 A106P80-G108 WeakPolarHBondContact CB-O 3.41Å; A104-G108 PolarHBondContact O-N 2.86Å; V105-G108 WeakPolarHBondContact O-CA 3.36Å; V105-G108 PolarHBondContact O-N 3.17Å; A106-G108 PolarHBondContact O-N 3.25Å
109N98.9Very high98.8Very high4 Ų413.1 Ų13.12%0.0218%0.075CC..  trans-77.4165.2175.2-60-84.2000111.8I81 G82 A104 C107 Y407I81-N109 WeakPolarHBondContact CA-OD1 3.35Å; I81-N109 PolarHBondContact N-OD1 2.84Å; G82-N109 PolarHBondContact N-OD1 2.91Å; G82-N109 WeakPolarHBondContact O-CB 3.45Å; A104-N109 HydrophobicContact CB-CB 4.34Å; A104-N109 VanDerWaalsContact O-CB 3.29Å; A104-N109 WeakPolarHBondContact O-CB 3.15Å; A104-N109 PolarHBondContact O-N 2.9Å; A104-N109 PolarHBondContact O-ND2 3.43Å; C107-N109 WeakPolarHBondContact CB-ND2 3.38Å; N109-Y407 PolarHBondContact ND2-O 3.43Å
110T98.9Very high98.8Very high47 Ų4713.7 Ų13.729%0.2888%0.081SC..EExtended strand (participates in β ladder)trans-106.3154.2164.661.50000109.9G82 C84 V139G82-T110 PolarHBondContact O-N 3.36Å; C84-T110 PolarHBondContact N-O 3.25Å; T110-V139 CarbonylContact C-O 3.49Å; T110-V139 WeakPolarHBondContact CA-O 3.35Å
111V98.9Very high98.8Very high0 Ų017.7 Ų17.70%010%0.102CC..EExtended strand (participates in β ladder)trans-126.3136.5-168.71720000111.5C84 Q86 A104 L113 V139 N141C84-V111 WeakPolarHBondContact O-CA 3.35Å; Q86-V111 HydrophobicContact CB-CG1 4.44Å; Q86-V111 HydrophobicContact CG-CG1 4.17Å; A104-V111 HydrophobicContact CB-CG2 3.82Å; V111-L113 HydrophobicContact CG1-CB 3.78Å; V111-V139 PolarHBondContact N-O 3.31Å; V111-N141 PolarHBondContact O-N 3.34Å; V111-N141 PolarHBondContact O-ND2 2.77Å
112V98.9Very high98.8Very high27 Ų2717.6 Ų17.616%0.16410%0.101CC..EExtended strand (participates in β ladder)trans-116.6100.8160.7-1780000107.7V83 C84 G85 Q86 N141 L143 I154V83-V112 HydrophobicContact CG1-CG2 4.24Å; C84-V112 PolarHBondContact O-N 3.48Å; G85-V112 CarbonylContact C-O 3.55Å; G85-V112 WeakPolarHBondContact CA-O 3.33Å; Q86-V112 PolarHBondContact N-O 3.47Å; V112-N141 CarbonylContact C-O 3.56Å; V112-N141 WeakPolarHBondContact CA-O 3.47Å; V112-L143 HydrophobicContact CG1-CD1 3.72Å; V112-L143 HydrophobicContact CG1-CG 4.36Å; V112-I154 HydrophobicContact CG1-CD1 4.1Å; V112-I154 HydrophobicContact CG1-CG1 4.29Å
113L98.9Very high98.8Very high0 Ų017.6 Ų17.60%010%0.101CC..EExtended strand (participates in β ladder)trans-101.4128.6-175.3-174.4149.2000111Q86 I88 T97 K100 V111 P115 N141 I142 L143Q86-L113 HydrophobicContact CB-CB 4.31Å; Q86-L113 HydrophobicContact CB-CD1 4.32Å; Q86-L113 HydrophobicContact CB-CG 4.25Å; Q86-L113 CarbonylContact O-C 3.55Å; Q86-L113 VanDerWaalsContact O-CA 3.24Å; Q86-L113 WeakPolarHBondContact O-CA 3.26Å; I88-L113 HydrophobicContact CD1-CD2 4Å; I88-L113 HydrophobicContact CG1-CD2 4.29Å; T97-L113 HydrophobicContact CG2-CD1 4.19Å; K100-L113 HydrophobicContact CB-CD1 4.5Å; V111-L113 HydrophobicContact CG1-CB 3.78Å; L113-P115 HydrophobicContact CD2-CB 4.41Å; L113-N141 PolarHBondContact N-O 3.08Å; L113-I142 HydrophobicContact CB-CG1 4.39Å; L113-I142 HydrophobicContact CD2-CG2 4.04Å; L113-I142 CarbonylContact O-C 3.52Å; L113-I142 WeakPolarHBondContact O-CA 3.45Å; L113-L143 PolarHBondContact O-N 3.02Å
114K98.9Very high98.8Very high4 Ų420.8 Ų20.82%0.01712%0.118CC..EExtended strand (participates in β ladder)trans-107.7109.8172.4-174.3-91.3169.4-156.10109.3Q86 I87 I88 E117 L143 G145 A150 I154Q86-K114 PolarHBondContact O-N 2.64Å; I87-K114 HydrophobicContact CG1-CB 4.36Å; I87-K114 HydrophobicContact CG2-CD 4.18Å; I88-K114 PolarHBondContact N-O 2.9Å; I88-K114 VanDerWaalsContact N-O 3.17Å; K114-E117 IonicContact NZ-OE2 3.79Å; K114-E117 PolarHBondContact NZ-OE2 2.93Å; K114-L143 WeakPolarHBondContact CG-O 3.36Å; K114-G145 VanDerWaalsContact CE-C 3.49Å; K114-G145 WeakPolarHBondContact CE-O 3.4Å; K114-G145 PolarHBondContact NZ-O 3.03Å; K114-A150 HydrophobicContact CG-CB 4.04Å; K114-I154 HydrophobicContact CB-CD1 3.64Å
115P98.8Very high98.8Very high0 Ų023.7 Ų23.70%013%0.13CC..  trans-74.1158171.833.1-34.2000111I88 L113 P120 C123 I142 P144I88-P115 HydrophobicContact CD1-CB 4.43Å; I88-P115 HydrophobicContact CG1-CB 4.43Å; L113-P115 HydrophobicContact CD2-CB 4.41Å; P115-P120 HydrophobicContact CG-CB 4.12Å; P115-C123 HydrophobicContact CB-CB 3.8Å; P115-C123 HydrophobicContact CG-CB 4.2Å; P115-I142 HydrophobicContact CG-CG2 4.18Å; P115-P144 HydrophobicContact CG-CB 4.17Å
116A98.5Very high98.8Very high4 Ų423.8 Ų23.83%0.03313%0.13CC..  trans-59.5141.4172.100000111.4I88 W90 Q118 T119I88-A116 PolarHBondContact O-N 2.69Å; W90-A116 HydrophobicContact CB-CB 3.61Å; W90-A116 HydrophobicContact CG-CB 4.41Å; A116-Q118 PolarHBondContact O-N 3.3Å; A116-T119 CarbonylContact O-C 3.53Å; A116-T119 PolarHBondContact O-N 2.97Å; A116-T119 VanDerWaalsContact O-N 3.08Å
117E98.4Very high98.7Very high69 Ų6925.2 Ų25.232%0.32214%0.142SC..THydrogen-bonded Turntrans-62.4-26.1-178.448.8-93.3-12600112.6K114 Y146 G147K114-E117 IonicContact NZ-OE2 3.79Å; K114-E117 PolarHBondContact NZ-OE2 2.93Å; E117-Y146 HydrophobicContact CB-CD1 3.84Å; E117-Y146 HydrophobicContact CB-CE1 3.92Å; E117-Y146 HydrophobicContact CB-CG 4.43Å; E117-Y146 HydrophobicContact CG-CD1 3.68Å; E117-Y146 HydrophobicContact CG-CE1 3.89Å; E117-G147 PolarHBondContact OE1-N 2.98Å
118Q98.7Very high98.7Very high62 Ų6227.6 Ų27.629%0.2916%0.161SC..THydrogen-bonded Turntrans-72.3-32.3176.2-58.882.2-3.200112.1N31 W90 A116 I267N31-Q118 PolarHBondContact ND2-O 3.23Å; W90-Q118 HydrophobicContact CB-CB 3.99Å; W90-Q118 HydrophobicContact CG-CB 4.45Å; A116-Q118 PolarHBondContact O-N 3.3Å; Q118-I267 HydrophobicContact CB-CD1 4.18Å; Q118-I267 HydrophobicContact CB-CG1 3.78Å; Q118-I267 HydrophobicContact CG-CG1 4.09Å
119T98.6Very high98.7Very high1 Ų126.3 Ų26.31%0.00615%0.148CC..SBendtrans-13756.7-167.958.60000114.6N31 W90 P93 A116 I267N31-T119 VanDerWaalsContact OD1-CA 3.29Å; N31-T119 WeakPolarHBondContact OD1-CA 3.39Å; W90-T119 VanDerWaalsContact CA-OG1 3.24Å; W90-T119 WeakPolarHBondContact CA-OG1 3.43Å; W90-T119 HydrophobicContact CB-CG2 3.9Å; W90-T119 WeakPolarHBondContact CB-OG1 3.46Å; P93-T119 VanDerWaalsContact CG-CB 3.44Å; P93-T119 HydrophobicContact CG-CG2 3.93Å; P93-T119 VanDerWaalsContact CG-OG1 3.27Å; P93-T119 WeakPolarHBondContact CG-OG1 3.2Å; A116-T119 CarbonylContact O-C 3.53Å; A116-T119 PolarHBondContact O-N 2.97Å; A116-T119 VanDerWaalsContact O-N 3.08Å; T119-I267 HydrophobicContact CG2-CD1 3.62Å
120P98.8Very high98.7Very high25 Ų2526.6 Ų26.616%0.16215%0.15CC..  trans-81.4-18.8-176.233-36.3000114.1P115 T122 C123 L124 P144P115-P120 HydrophobicContact CG-CB 4.12Å; P120-T122 PolarHBondContact O-N 3.04Å; P120-C123 WeakPolarHBondContact O-CB 3.4Å; P120-C123 PolarHBondContact O-N 2.98Å; P120-L124 HydrophobicContact CB-CD1 4.45Å; P120-L124 WeakPolarHBondContact O-CG 3.5Å; P120-L124 PolarHBondContact O-N 2.82Å; P120-P144 HydrophobicContact CB-CB 3.92Å
121L98.8Very high98.7Very high84 Ų8432.7 Ų32.744%0.4417%0.172SC..Hα-helixtrans-67.6-45.7-158.7-61.6-179.1000113.7I27 N31 C123 L124 Y125I27-L121 HydrophobicContact CG2-CB 3.57Å; I27-L121 HydrophobicContact CG2-CD1 4.32Å; N31-L121 HydrophobicContact CB-CD1 4.24Å; N31-L121 WeakPolarHBondContact OD1-CB 3.31Å; N31-L121 VanDerWaalsContact OD1-CG 3.24Å; N31-L121 WeakPolarHBondContact OD1-CG 3.32Å; N31-L121 PolarHBondContact OD1-N 2.8Å; L121-C123 VanDerWaalsContact C-N 3.34Å; L121-L124 PolarHBondContact O-N 2.82Å; L121-Y125 PolarHBondContact O-N 2.98Å
122T98.7Very high98.7Very high0 Ų037.4 Ų37.40%019%0.194CC..Hα-helixtrans-69.4-33.9179.246.90000112.7L24 I27 E28 L94 P120 L124 Y125 I126L24-T122 HydrophobicContact CD2-CG2 4.4Å; I27-T122 HydrophobicContact CB-CG2 3.76Å; I27-T122 HydrophobicContact CG2-CG2 3.55Å; E28-T122 HydrophobicContact CB-CG2 3.84Å; E28-T122 VanDerWaalsContact OE2-CB 3.26Å; E28-T122 WeakPolarHBondContact OE2-CB 3.49Å; E28-T122 WeakPolarHBondContact OE2-CG2 3.47Å; E28-T122 PolarHBondContact OE2-OG1 3.39Å; L94-T122 HydrophobicContact CD1-CG2 4.19Å; L94-T122 HydrophobicContact CD2-CG2 4.32Å; L94-T122 HydrophobicContact CG-CG2 4.11Å; P120-T122 PolarHBondContact O-N 3.04Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-Y125 PolarHBondContact O-N 3Å; T122-I126 PolarHBondContact O-N 3.35Å
123C98.6Very high98.7Very high0 Ų036.6 Ų36.60%019%0.19CC..Hα-helixtrans-62.7-43.2174-56.90000110.6T97 P115 P120 L121 I126 A127 I142T97-C123 PolarHBondContact OG1-SG 3.01Å; P115-C123 HydrophobicContact CB-CB 3.8Å; P115-C123 HydrophobicContact CG-CB 4.2Å; P120-C123 WeakPolarHBondContact O-CB 3.4Å; P120-C123 PolarHBondContact O-N 2.98Å; L121-C123 VanDerWaalsContact C-N 3.34Å; C123-I126 WeakPolarHBondContact O-CB 3.41Å; C123-I126 PolarHBondContact O-N 2.99Å; C123-A127 PolarHBondContact O-N 3.4Å; C123-A127 VanDerWaalsContact O-N 3.13Å; C123-I142 HydrophobicContact CB-CG2 4.33Å; C123-I142 VanDerWaalsContact O-CD1 3.23Å; C123-I142 WeakPolarHBondContact O-CD1 3.42Å
124L98.8Very high98.7Very high70 Ų7038.9 Ų38.937%0.36621%0.214SC..Hα-helixtrans-65.6-36.4175-69.2173.8000112.6P120 L121 T122 A127 A128 I142 P144P120-L124 HydrophobicContact CB-CD1 4.45Å; P120-L124 WeakPolarHBondContact O-CG 3.5Å; P120-L124 PolarHBondContact O-N 2.82Å; L121-L124 PolarHBondContact O-N 2.82Å; T122-L124 VanDerWaalsContact C-N 3.34Å; L124-A127 WeakPolarHBondContact O-CB 3.28Å; L124-A127 PolarHBondContact O-N 3.32Å; L124-A128 PolarHBondContact O-N 2.91Å; L124-I142 HydrophobicContact CD2-CG2 4.19Å; L124-P144 HydrophobicContact CD1-CG 4.24Å; L124-P144 HydrophobicContact CD2-CG 4.08Å
125Y98.8Very high98.7Very high61 Ų6139.8 Ų39.824%0.23922%0.218CC..Hα-helixtrans-65.3-39.9173.6-166.3-94.7000111.6D20 Y23 L24 L121 T122 A127 A128 L129D20-Y125 HydrophobicContact CB-CE1 4Å; D20-Y125 WeakPolarHBondContact OD2-CE1 3.36Å; D20-Y125 PolarHBondContact OD2-OH 3.01Å; Y23-Y125 HydrophobicContact CD1-CD1 4.47Å; Y23-Y125 HydrophobicContact CD1-CD2 4.3Å; Y23-Y125 AromaticContact CD1-CE1 3.97Å; Y23-Y125 HydrophobicContact CD1-CE1 3.97Å; Y23-Y125 AromaticContact CD1-CE2 3.81Å; Y23-Y125 HydrophobicContact CD1-CE2 3.81Å; Y23-Y125 AromaticContact CD1-CZ 3.6Å; Y23-Y125 HydrophobicContact CE1-CD1 4.5Å; Y23-Y125 AromaticContact CE1-CD2 3.59Å; Y23-Y125 HydrophobicContact CE1-CD2 3.59Å; Y23-Y125 HydrophobicContact CE1-CE1 4.2Å; Y23-Y125 AromaticContact CE1-CE2 3.24Å; Y23-Y125 HydrophobicContact CE1-CE2 3.24Å; Y23-Y125 HydrophobicContact CE1-CG 4.2Å; Y23-Y125 AromaticContact CE1-CZ 3.58Å; L24-Y125 HydrophobicContact CD1-CD1 4.44Å; L24-Y125 HydrophobicContact CD2-CD1 3.38Å; L24-Y125 HydrophobicContact CD2-CE1 4.15Å; L24-Y125 HydrophobicContact CD2-CG 4.03Å; L24-Y125 HydrophobicContact CG-CD1 3.91Å; L24-Y125 HydrophobicContact CG-CE1 4.19Å; L121-Y125 PolarHBondContact O-N 2.98Å; T122-Y125 PolarHBondContact O-N 3Å; Y125-A127 VanDerWaalsContact C-N 3.26Å; Y125-A127 PolarHBondContact O-N 3Å; Y125-A128 WeakPolarHBondContact O-CA 3.3Å; Y125-A128 VanDerWaalsContact O-CB 3.3Å; Y125-A128 WeakPolarHBondContact O-CB 3.29Å; Y125-A128 PolarHBondContact O-N 3.21Å; Y125-L129 HydrophobicContact CD1-CD1 4.02Å; Y125-L129 HydrophobicContact CD1-CD2 4.46Å; Y125-L129 HydrophobicContact CD1-CG 4.06Å; Y125-L129 HydrophobicContact CE1-CD1 3.9Å; Y125-L129 HydrophobicContact CE1-CD2 3.85Å; Y125-L129 HydrophobicContact CE1-CG 3.93Å; Y125-L129 PolarHBondContact O-N 3.47Å; Y125-L129 VanDerWaalsContact O-N 3.13Å
126I98.5Very high98.7Very high6 Ų642.3 Ų42.33%0.03123%0.234CC..Hα-helixtrans-56.6-39.8170.9-73.4178.1000111.1L94 T97 T122 C123 A128 L129 T130L94-I126 HydrophobicContact CD2-CD1 3.49Å; L94-I126 VanDerWaalsContact CD2-CD1 3.49Å; L94-I126 HydrophobicContact CD2-CG1 4.03Å; T97-I126 HydrophobicContact CG2-CD1 3.82Å; T97-I126 HydrophobicContact CG2-CG2 4.18Å; T122-I126 PolarHBondContact O-N 3.35Å; C123-I126 WeakPolarHBondContact O-CB 3.41Å; C123-I126 PolarHBondContact O-N 2.99Å; I126-A128 PolarHBondContact O-N 2.92Å; I126-L129 CarbonylContact O-C 3.58Å; I126-L129 WeakPolarHBondContact O-CA 3.3Å; I126-L129 WeakPolarHBondContact O-CB 3.5Å; I126-L129 PolarHBondContact O-N 2.86Å; I126-T130 HydrophobicContact CG2-CG2 4.11Å; I126-T130 WeakPolarHBondContact O-CG2 3.22Å; I126-T130 PolarHBondContact O-N 3.36Å
127A98.4Very high98.7Very high30 Ų3048.7 Ų48.725%0.24828%0.275CS..Hα-helixtrans-61-31.8175.100000113.4C123 L124 Y125 T130 K131 I142C123-A127 PolarHBondContact O-N 3.4Å; C123-A127 VanDerWaalsContact O-N 3.13Å; L124-A127 WeakPolarHBondContact O-CB 3.28Å; L124-A127 PolarHBondContact O-N 3.32Å; Y125-A127 VanDerWaalsContact C-N 3.26Å; Y125-A127 PolarHBondContact O-N 3Å; A127-T130 WeakPolarHBondContact CA-OG1 3.28Å; A127-T130 PolarHBondContact O-OG1 3.43Å; A127-K131 PolarHBondContact O-N 2.77Å; A127-I142 HydrophobicContact CB-CB 4.35Å; A127-I142 HydrophobicContact CB-CD1 3.91Å; A127-I142 HydrophobicContact CB-CG1 4.16Å
128A98.8Very high98.7Very high56 Ų5647.2 Ų47.246%0.46328%0.279SS..Hα-helixtrans-67.2-42.2172.400000110.9L124 Y125 I126 K131 E132L124-A128 PolarHBondContact O-N 2.91Å; Y125-A128 WeakPolarHBondContact O-CA 3.3Å; Y125-A128 VanDerWaalsContact O-CB 3.3Å; Y125-A128 WeakPolarHBondContact O-CB 3.29Å; Y125-A128 PolarHBondContact O-N 3.21Å; I126-A128 PolarHBondContact O-N 2.92Å; A128-K131 WeakPolarHBondContact O-CB 3.05Å; A128-K131 PolarHBondContact O-N 3.48Å; A128-E132 PolarHBondContact O-N 2.97Å
129L98.9Very high98.7Very high3 Ų345.7 Ų45.72%0.01627%0.274CS..Hα-helixtrans-68.4-32177.9-58.1-175.1000113L13 L16 V17 D20 L24 Y125 I126 K131 E132 A133L13-L129 HydrophobicContact CD1-CB 3.68Å; L16-L129 HydrophobicContact CB-CB 4.4Å; L16-L129 HydrophobicContact CB-CD1 4.38Å; L16-L129 HydrophobicContact CB-CD2 4.3Å; L16-L129 WeakPolarHBondContact CD1-O 3.41Å; V17-L129 HydrophobicContact CG2-CD1 3.85Å; D20-L129 WeakPolarHBondContact OD2-CD2 3.32Å; L24-L129 HydrophobicContact CD1-CD1 4.25Å; Y125-L129 HydrophobicContact CD1-CD1 4.02Å; Y125-L129 HydrophobicContact CD1-CD2 4.46Å; Y125-L129 HydrophobicContact CD1-CG 4.06Å; Y125-L129 HydrophobicContact CE1-CD1 3.9Å; Y125-L129 HydrophobicContact CE1-CD2 3.85Å; Y125-L129 HydrophobicContact CE1-CG 3.93Å; Y125-L129 PolarHBondContact O-N 3.47Å; Y125-L129 VanDerWaalsContact O-N 3.13Å; I126-L129 CarbonylContact O-C 3.58Å; I126-L129 WeakPolarHBondContact O-CA 3.3Å; I126-L129 WeakPolarHBondContact O-CB 3.5Å; I126-L129 PolarHBondContact O-N 2.86Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-E132 PolarHBondContact O-N 3.38Å; L129-A133 VanDerWaalsContact O-CB 3.3Å; L129-A133 WeakPolarHBondContact O-CB 3.44Å; L129-A133 PolarHBondContact O-N 2.95Å
130T98.8Very high98.7Very high9 Ų946.7 Ų46.76%0.05528%0.279CS..Hα-helixtrans-67-37.5174.862.20000110.9L13 I126 A127 A133 G134 F135 I140L13-T130 HydrophobicContact CD1-CG2 4Å; L13-T130 HydrophobicContact CD2-CG2 3.83Å; I126-T130 HydrophobicContact CG2-CG2 4.11Å; I126-T130 WeakPolarHBondContact O-CG2 3.22Å; I126-T130 PolarHBondContact O-N 3.36Å; A127-T130 WeakPolarHBondContact CA-OG1 3.28Å; A127-T130 PolarHBondContact O-OG1 3.43Å; T130-A133 PolarHBondContact O-N 3.15Å; T130-G134 PolarHBondContact O-N 3.25Å; T130-F135 HydrophobicContact CG2-CD2 4.45Å; T130-F135 WeakPolarHBondContact O-CD2 3.22Å; T130-F135 PolarHBondContact O-N 2.97Å; T130-I140 HydrophobicContact CG2-CD1 3.71Å; T130-I140 HydrophobicContact CG2-CG2 4.41Å
131K98.8Very high98.7Very high175 Ų17548.5 Ų48.576%0.76129%0.287SS*.Hα-helixtrans-63.9-45.7171.8-174.2-178.8179.1-177.60111.5A127 A128 L129 A133 G134A127-K131 PolarHBondContact O-N 2.77Å; A128-K131 WeakPolarHBondContact O-CB 3.05Å; A128-K131 PolarHBondContact O-N 3.48Å; L129-K131 VanDerWaalsContact C-N 3.32Å; K131-A133 VanDerWaalsContact C-N 3.33Å; K131-A133 PolarHBondContact O-N 3.31Å; K131-G134 PolarHBondContact O-N 2.89Å; K131-G134 VanDerWaalsContact O-N 3.15Å
132E98.8Very high98.7Very high100 Ų10045.4 Ų45.447%0.46727%0.271SS..Hα-helixtrans-62.9-37.7176.9-174.2-175.8171.600112.3L16 R19 A128 L129 G134L16-E132 HydrophobicContact CD1-CB 3.87Å; L16-E132 HydrophobicContact CD1-CG 3.84Å; L16-E132 HydrophobicContact CD2-CG 4.34Å; L16-E132 WeakPolarHBondContact CD2-OE1 3.13Å; R19-E132 IonicContact CZ-OE1 2.83Å; R19-E132 IonicContact CZ-OE2 3.72Å; R19-E132 IonicContact NH1-OE1 2.73Å; R19-E132 PolarHBondContact NH1-OE1 3.24Å; R19-E132 IonicContact NH1-OE2 3.97Å; R19-E132 PolarHBondContact NH1-OE2 2.84Å; R19-E132 IonicContact NH2-OE1 3.24Å; R19-E132 IonicContact NH2-OE2 2.74Å; R19-E132 PolarHBondContact NH2-OE2 3.16Å; A128-E132 PolarHBondContact O-N 2.97Å; L129-E132 PolarHBondContact O-N 3.38Å; E132-G134 PolarHBondContact O-N 3.3Å
133A98.8Very high98.7Very high10 Ų1049.8 Ų49.88%0.08329%0.294CS..Hα-helixtrans-65.5-17.1176.200000113.3L9 K12 L13 L16 L129 T130 K131 F135L9-A133 WeakPolarHBondContact CD2-O 3.26Å; K12-A133 HydrophobicContact CB-CB 4.45Å; K12-A133 HydrophobicContact CG-CB 4.08Å; L13-A133 HydrophobicContact CB-CB 4.28Å; L16-A133 HydrophobicContact CD1-CB 3.94Å; L129-A133 VanDerWaalsContact O-CB 3.3Å; L129-A133 WeakPolarHBondContact O-CB 3.44Å; L129-A133 PolarHBondContact O-N 2.95Å; T130-A133 PolarHBondContact O-N 3.15Å; K131-A133 VanDerWaalsContact C-N 3.33Å; K131-A133 PolarHBondContact O-N 3.31Å; A133-F135 HydrophobicContact CB-CD2 3.99Å; A133-F135 HydrophobicContact CB-CE2 4.05Å
134G98.8Very high98.7Very high48 Ų4853 Ų5350%0.49531%0.314SS..THydrogen-bonded Turntrans90.522.9177.500000114.4T130 K131 E132T130-G134 PolarHBondContact O-N 3.25Å; K131-G134 PolarHBondContact O-N 2.89Å; K131-G134 VanDerWaalsContact O-N 3.15Å; E132-G134 PolarHBondContact O-N 3.3Å
135F98.8Very high98.6Very high22 Ų2250.6 Ų50.610%0.09631%0.307CS..PPolyproline II helixtrans-59.8136.8170.5-78.2-83.6000110.5L9 L10 L13 V105 T130 A133 V139 I140L9-F135 HydrophobicContact CB-CD1 4.19Å; L9-F135 HydrophobicContact CB-CD2 4.46Å; L9-F135 HydrophobicContact CB-CE1 3.61Å; L9-F135 HydrophobicContact CB-CE2 3.95Å; L9-F135 HydrophobicContact CB-CZ 3.51Å; L9-F135 HydrophobicContact CD1-CD1 3.95Å; L9-F135 HydrophobicContact CD1-CE1 4.08Å; L9-F135 HydrophobicContact CD1-CG 4.44Å; L9-F135 HydrophobicContact CG-CE1 4.49Å; L10-F135 HydrophobicContact CD2-CZ 4.18Å; L10-F135 HydrophobicContact CG-CZ 4.34Å; L13-F135 HydrophobicContact CB-CE2 4.13Å; L13-F135 HydrophobicContact CD2-CE2 4.13Å; V105-F135 HydrophobicContact CG1-CD1 4.42Å; V105-F135 HydrophobicContact CG1-CE1 3.52Å; V105-F135 HydrophobicContact CG1-CZ 4.19Å; T130-F135 HydrophobicContact CG2-CD2 4.45Å; T130-F135 WeakPolarHBondContact O-CD2 3.22Å; T130-F135 PolarHBondContact O-N 2.97Å; A133-F135 HydrophobicContact CB-CD2 3.99Å; A133-F135 HydrophobicContact CB-CE2 4.05Å; F135-V139 HydrophobicContact CD1-CG1 4.28Å; F135-I140 HydrophobicContact CB-CD1 4.48Å; F135-I140 HydrophobicContact CD1-CD1 3.98Å; F135-I140 HydrophobicContact CD2-CD1 4.16Å; F135-I140 HydrophobicContact CE1-CD1 4.26Å; F135-I140 HydrophobicContact CE2-CD1 4.4Å; F135-I140 HydrophobicContact CG-CD1 3.93Å; F135-I140 HydrophobicContact CZ-CD1 4.44Å
136P98.8Very high98.6Very high53 Ų5355.1 Ų55.134%0.34433%0.325SS..PPolyproline II helixtrans-57143.4175.4-24.232.2000111.8M1 G138 V139M1-P136 HydrophobicContact CE-CG 3.64Å; P136-G138 PolarHBondContact O-N 2.78Å; P136-V139 HydrophobicContact CB-CG2 3.84Å; P136-V139 HydrophobicContact CG-CG2 4.16Å; P136-V139 WeakPolarHBondContact O-CB 3.36Å; P136-V139 WeakPolarHBondContact O-CG2 3.49Å; P136-V139 PolarHBondContact O-N 2.82Å
137P98.6Very high98.6Very high138 Ų13856.1 Ų56.190%0.89634%0.337SS*.THydrogen-bonded Turntrans-53.7136.4176.4-26.634.9000112.1V139P137-V139 VanDerWaalsContact C-N 3.33Å; P137-V139 PolarHBondContact O-N 2.54Å
138G97.9Very high98.6Very high39 Ų3960 Ų6040%0.40236%0.36SS..THydrogen-bonded Turntrans85.7-9.4179.400000115.5P136 N141P136-G138 PolarHBondContact O-N 2.78Å; G138-N141 PolarHBondContact O-ND2 2.79Å
139V98.8Very high98.6Very high30 Ų3061.7 Ų61.718%0.18236%0.364CS..SBendtrans-67.7-39.5176.6175.40000111.5T110 V111 F135 P136 P137T110-V139 CarbonylContact C-O 3.49Å; T110-V139 WeakPolarHBondContact CA-O 3.35Å; V111-V139 PolarHBondContact N-O 3.31Å; F135-V139 HydrophobicContact CD1-CG1 4.28Å; P136-V139 HydrophobicContact CB-CG2 3.84Å; P136-V139 HydrophobicContact CG-CG2 4.16Å; P136-V139 WeakPolarHBondContact O-CB 3.36Å; P136-V139 WeakPolarHBondContact O-CG2 3.49Å; P136-V139 PolarHBondContact O-N 2.82Å; P137-V139 VanDerWaalsContact C-N 3.33Å; P137-V139 PolarHBondContact O-N 2.54Å
140I98.9Very high98.6Very high21 Ų2162.9 Ų62.911%0.10837%0.374CS..EExtended strand (participates in β ladder)trans-128119.6177.2-65.1150000108L101 V105 T130 F135 I142L101-I140 HydrophobicContact CD1-CB 4.39Å; L101-I140 HydrophobicContact CD1-CD1 3.8Å; L101-I140 HydrophobicContact CD1-CG1 3.81Å; L101-I140 HydrophobicContact CD1-CG2 3.63Å; L101-I140 HydrophobicContact CD2-CD1 4.14Å; L101-I140 HydrophobicContact CG-CD1 4.18Å; L101-I140 HydrophobicContact CG-CG1 4.23Å; V105-I140 HydrophobicContact CG2-CD1 4.24Å; V105-I140 HydrophobicContact CG2-CG1 4.19Å; T130-I140 HydrophobicContact CG2-CD1 3.71Å; T130-I140 HydrophobicContact CG2-CG2 4.41Å; F135-I140 HydrophobicContact CB-CD1 4.48Å; F135-I140 HydrophobicContact CD1-CD1 3.98Å; F135-I140 HydrophobicContact CD2-CD1 4.16Å; F135-I140 HydrophobicContact CE1-CD1 4.26Å; F135-I140 HydrophobicContact CE2-CD1 4.4Å; F135-I140 HydrophobicContact CG-CD1 3.93Å; F135-I140 HydrophobicContact CZ-CD1 4.44Å; I140-I142 HydrophobicContact CG2-CD1 4.39Å; I140-I142 HydrophobicContact CG2-CG1 4.09Å
141N98.9Very high98.6Very high63 Ų6362.6 Ų62.634%0.33737%0.373SS..EExtended strand (participates in β ladder)trans-122.4124176.6-49.1-87.9000107.8V111 V112 L113 G138V111-N141 PolarHBondContact O-N 3.34Å; V111-N141 PolarHBondContact O-ND2 2.77Å; V112-N141 CarbonylContact C-O 3.56Å; V112-N141 WeakPolarHBondContact CA-O 3.47Å; L113-N141 PolarHBondContact N-O 3.08Å; G138-N141 PolarHBondContact O-ND2 2.79Å
142I98.8Very high98.6Very high20 Ų2056.4 Ų56.410%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-113.9118.7179.9-56.4-167.3000109L113 P115 C123 L124 A127 I140L113-I142 HydrophobicContact CB-CG1 4.39Å; L113-I142 HydrophobicContact CD2-CG2 4.04Å; L113-I142 CarbonylContact O-C 3.52Å; L113-I142 WeakPolarHBondContact O-CA 3.45Å; P115-I142 HydrophobicContact CG-CG2 4.18Å; C123-I142 HydrophobicContact CB-CG2 4.33Å; C123-I142 VanDerWaalsContact O-CD1 3.23Å; C123-I142 WeakPolarHBondContact O-CD1 3.42Å; L124-I142 HydrophobicContact CD2-CG2 4.19Å; A127-I142 HydrophobicContact CB-CB 4.35Å; A127-I142 HydrophobicContact CB-CD1 3.91Å; A127-I142 HydrophobicContact CB-CG1 4.16Å; I140-I142 HydrophobicContact CG2-CD1 4.39Å; I140-I142 HydrophobicContact CG2-CG1 4.09Å
143L98.4Very high98.6Very high91 Ų9154.1 Ų54.148%0.47635%0.353SS..  trans-119.791.9-172.1-64-177.5000110.7V112 L113 K114V112-L143 HydrophobicContact CG1-CD1 3.72Å; V112-L143 HydrophobicContact CG1-CG 4.36Å; L113-L143 PolarHBondContact O-N 3.02Å; K114-L143 WeakPolarHBondContact CG-O 3.36Å
144P98.6Very high98.6Very high67 Ų6754.1 Ų54.144%0.43535%0.352SS..  trans-65.6141.9173.930.6-35.5000110.2P115 P120 L124P115-P144 HydrophobicContact CG-CB 4.17Å; P120-P144 HydrophobicContact CB-CB 3.92Å; L124-P144 HydrophobicContact CD1-CG 4.24Å; L124-P144 HydrophobicContact CD2-CG 4.08Å
145G97.8Very high98.6Very high21 Ų2151.9 Ų51.922%0.21633%0.328CS..  trans173-174.2-178.100000111.1K114K114-G145 VanDerWaalsContact CE-C 3.49Å; K114-G145 WeakPolarHBondContact CE-O 3.4Å; K114-G145 PolarHBondContact NZ-O 3.03Å
146Y98.7Very high98.6Very high156 Ų15653.9 Ų53.961%0.61235%0.345SS*.  trans-90.6158.2179.1-70.1-86.2000112E117 T149 A150 G151E117-Y146 HydrophobicContact CB-CD1 3.84Å; E117-Y146 HydrophobicContact CB-CE1 3.92Å; E117-Y146 HydrophobicContact CB-CG 4.43Å; E117-Y146 HydrophobicContact CG-CD1 3.68Å; E117-Y146 HydrophobicContact CG-CE1 3.89Å; Y146-T149 PolarHBondContact O-OG1 3Å; Y146-A150 PolarHBondContact O-N 2.92Å; Y146-G151 PolarHBondContact O-N 3.32Å
147G98.2Very high98.6Very high27 Ų2756.1 Ų56.128%0.27835%0.351SS..Iπ-helixtrans-55.5-58.7175.900000113.7E117 T149 G151 A152E117-G147 PolarHBondContact OE1-N 2.98Å; G147-T149 PolarHBondContact O-N 2.85Å; G147-T149 VanDerWaalsContact O-N 3.08Å; G147-G151 CarbonylContact O-C 3.37Å; G147-G151 WeakPolarHBondContact O-CA 3.35Å; G147-G151 PolarHBondContact O-N 3.36Å; G147-G151 VanDerWaalsContact O-N 3.09Å; G147-A152 PolarHBondContact O-N 2.73Å
148P98.4Very high98.6Very high112 Ų11255.7 Ų55.773%0.72734%0.338SS*.Iπ-helixtrans-63.6-15.9-176.2-26.136.1000115.6A152P148-A152 VanDerWaalsContact O-CB 3.31Å; P148-A152 WeakPolarHBondContact O-CB 3.18Å
149T98.7Very high98.7Very high91 Ų9155.8 Ų55.856%0.55834%0.339SS*.Iπ-helixtrans-104.3-80.6177.854.60000110.5Y146 G147 G151 A153Y146-T149 PolarHBondContact O-OG1 3Å; G147-T149 PolarHBondContact O-N 2.85Å; G147-T149 VanDerWaalsContact O-N 3.08Å; T149-G151 PolarHBondContact O-N 2.77Å; T149-A153 VanDerWaalsContact O-CB 3.23Å; T149-A153 WeakPolarHBondContact O-CB 3.5Å; T149-A153 PolarHBondContact O-N 3.35Å
150A98.7Very high98.7Very high27 Ų2754.8 Ų54.822%0.22333%0.333CS..Iπ-helixtrans-64-42-175.900000112.5K114 Y146 I154K114-A150 HydrophobicContact CG-CB 4.04Å; Y146-A150 PolarHBondContact O-N 2.92Å; A150-I154 WeakPolarHBondContact O-CG1 3.11Å; A150-I154 PolarHBondContact O-N 3.01Å; A150-I154 VanDerWaalsContact O-N 3.11Å
151G98.8Very high98.7Very high3 Ų357 Ų573%0.03135%0.345CS..Iπ-helixtrans-66.3-48.1178.700000112.7Y146 G147 T149 A153 I154 A155Y146-G151 PolarHBondContact O-N 3.32Å; G147-G151 CarbonylContact O-C 3.37Å; G147-G151 WeakPolarHBondContact O-CA 3.35Å; G147-G151 PolarHBondContact O-N 3.36Å; G147-G151 VanDerWaalsContact O-N 3.09Å; T149-G151 PolarHBondContact O-N 2.77Å; G151-A153 VanDerWaalsContact C-N 3.34Å; G151-A153 PolarHBondContact O-N 2.95Å; G151-I154 PolarHBondContact O-N 2.99Å; G151-A155 PolarHBondContact O-N 3.02Å
152A98.7Very high98.7Very high45 Ų4554 Ų5437%0.37233%0.329SS..Hα-helixtrans-62.2-41.717700000111.8G147 P148 I154 A155 S156G147-A152 PolarHBondContact O-N 2.73Å; P148-A152 VanDerWaalsContact O-CB 3.31Å; P148-A152 WeakPolarHBondContact O-CB 3.18Å; A152-I154 VanDerWaalsContact C-N 3.33Å; A152-I154 PolarHBondContact O-N 3.46Å; A152-A155 PolarHBondContact O-N 3.48Å; A152-A155 VanDerWaalsContact O-N 3.16Å; A152-S156 PolarHBondContact O-N 3.32Å; A152-S156 PolarHBondContact O-OG 2.96Å; A152-S156 VanDerWaalsContact O-OG 3.08Å
153A98.9Very high98.7Very high53 Ų5353 Ų5344%0.43832%0.324SS..Hα-helixtrans-58.6-43.6175.900000111.8T149 G151 H157T149-A153 VanDerWaalsContact O-CB 3.23Å; T149-A153 WeakPolarHBondContact O-CB 3.5Å; T149-A153 PolarHBondContact O-N 3.35Å; G151-A153 VanDerWaalsContact C-N 3.34Å; G151-A153 PolarHBondContact O-N 2.95Å; A153-H157 VanDerWaalsContact O-CB 3.29Å; A153-H157 WeakPolarHBondContact O-CB 3.41Å; A153-H157 PolarHBondContact O-N 3.31Å
154I98.9Very high98.7Very high10 Ų1048.7 Ų48.75%0.05130%0.301CS..Hα-helixtrans-60.7-48.5173.8-73.1167.8000110.9I87 V112 K114 A150 G151 A152 S156 H157 I160 V163I87-I154 HydrophobicContact CD1-CB 4.38Å; I87-I154 HydrophobicContact CD1-CG2 4.15Å; I87-I154 HydrophobicContact CG1-CD1 4.47Å; I87-I154 HydrophobicContact CG1-CG2 4.3Å; V112-I154 HydrophobicContact CG1-CD1 4.1Å; V112-I154 HydrophobicContact CG1-CG1 4.29Å; K114-I154 HydrophobicContact CB-CD1 3.64Å; A150-I154 WeakPolarHBondContact O-CG1 3.11Å; A150-I154 PolarHBondContact O-N 3.01Å; A150-I154 VanDerWaalsContact O-N 3.11Å; G151-I154 PolarHBondContact O-N 2.99Å; A152-I154 VanDerWaalsContact C-N 3.33Å; A152-I154 PolarHBondContact O-N 3.46Å; I154-S156 VanDerWaalsContact C-N 3.32Å; I154-S156 PolarHBondContact O-N 3.3Å; I154-H157 PolarHBondContact O-N 3.25Å; I154-I160 HydrophobicContact CB-CD1 4.23Å; I154-I160 HydrophobicContact CG1-CD1 4.34Å; I154-I160 HydrophobicContact CG2-CD1 3.87Å; I154-V163 HydrophobicContact CG2-CG2 4.34Å
155A98.8Very high98.7Very high1 Ų146.2 Ų46.21%0.00828%0.284CS..Hα-helixtrans-63.8-35.4-17600000112.9G151 A152 I175 A178 K185G151-A155 PolarHBondContact O-N 3.02Å; A152-A155 PolarHBondContact O-N 3.48Å; A152-A155 VanDerWaalsContact O-N 3.16Å; A155-I175 HydrophobicContact CB-CD1 3.62Å; A155-A178 HydrophobicContact CB-CB 3.88Å; A155-K185 WeakPolarHBondContact O-CE 3.49Å; A155-K185 PolarHBondContact O-NZ 3.18Å
156S98.8Very high98.8Very high63 Ų6345.8 Ų45.844%0.44128%0.277SS..Hα-helixtrans-96.3-1.8-179.568.60000114.5A152 I154 M158 S182A152-S156 PolarHBondContact O-N 3.32Å; A152-S156 PolarHBondContact O-OG 2.96Å; A152-S156 VanDerWaalsContact O-OG 3.08Å; I154-S156 VanDerWaalsContact C-N 3.32Å; I154-S156 PolarHBondContact O-N 3.3Å; S156-M158 PolarHBondContact O-N 3.32Å; S156-S182 WeakPolarHBondContact O-CB 3.5Å
157H98.9Very high98.8Very high101 Ų10139.3 Ų39.347%0.46826%0.258SS..  trans-65.4133-175.5-160.4-93.4000111.5A153 I154 G159 I160 K185A153-H157 VanDerWaalsContact O-CB 3.29Å; A153-H157 WeakPolarHBondContact O-CB 3.41Å; A153-H157 PolarHBondContact O-N 3.31Å; I154-H157 PolarHBondContact O-N 3.25Å; H157-G159 VanDerWaalsContact C-N 3.35Å; H157-G159 WeakPolarHBondContact ND1-CA 3.49Å; H157-G159 PolarHBondContact ND1-N 3.33Å; H157-I160 HydrophobicContact CB-CB 4.21Å; H157-I160 HydrophobicContact CB-CD1 3.82Å; H157-I160 HydrophobicContact CB-CG1 3.88Å; H157-K185 VanDerWaalsContact O-CE 3.25Å; H157-K185 WeakPolarHBondContact O-CE 3.29Å; H157-K185 PolarHBondContact O-NZ 3.49Å
158M98.8Very high98.8Very high128 Ų12840.4 Ų40.463%0.63126%0.261SS*.THydrogen-bonded Turntrans-74.7-23.2-178.6-68.6-60-6700113.8S156 N183S156-M158 PolarHBondContact O-N 3.32Å; M158-N183 HydrophobicContact CE-CB 3.76Å; M158-N183 PolarHBondContact O-ND2 2.87Å; M158-N183 HydrophobicContact SD-CB 3.89Å
159G98.8Very high98.8Very high42 Ų4235.6 Ų35.643%0.43323%0.229SC..THydrogen-bonded Turntrans-99.517.1178.300000115H157H157-G159 VanDerWaalsContact C-N 3.35Å; H157-G159 WeakPolarHBondContact ND1-CA 3.49Å; H157-G159 PolarHBondContact ND1-N 3.33Å
160I98.9Very high98.8Very high9 Ų938.1 Ų38.15%0.04624%0.235CC..  trans-106.1127171.5-72.4-178.3000108V83 I154 H157 K162 N183 K185V83-I160 HydrophobicContact CG1-CG1 4.05Å; I154-I160 HydrophobicContact CB-CD1 4.23Å; I154-I160 HydrophobicContact CG1-CD1 4.34Å; I154-I160 HydrophobicContact CG2-CD1 3.87Å; H157-I160 HydrophobicContact CB-CB 4.21Å; H157-I160 HydrophobicContact CB-CD1 3.82Å; H157-I160 HydrophobicContact CB-CG1 3.88Å; I160-K162 WeakPolarHBondContact CG2-O 3.33Å; I160-N183 PolarHBondContact O-ND2 3.1Å; I160-K185 HydrophobicContact CG2-CD 4.16Å; I160-K185 WeakPolarHBondContact O-CB 3.34Å; I160-K185 VanDerWaalsContact O-CE 3.28Å; I160-K185 WeakPolarHBondContact O-CE 3.18Å
161D98.9Very high98.8Very high66 Ų6639.5 Ų39.535%0.35324%0.241SC..  trans-89.5-27.8-171.2-54.4-58.4000112.6I81 G82 V83 K185 R186I81-D161 HydrophobicContact CG2-CB 3.74Å; G82-D161 WeakPolarHBondContact CA-OD2 3.38Å; V83-D161 PolarHBondContact N-OD2 3.13Å; V83-D161 PolarHBondContact O-N 2.78Å; D161-K185 WeakPolarHBondContact O-CA 3.11Å; D161-K185 WeakPolarHBondContact O-CB 3.38Å; D161-R186 PolarHBondContact O-N 3.44Å
162K98.9Very high98.8Very high0 Ų039.4 Ų39.40%024%0.239CC..EExtended strand (participates in β ladder)trans-142.3143.8176.7171.2180172.477.70111.3I81 V83 C84 G85 I160 R186 T188 E406 Y407I81-K162 HydrophobicContact CD1-CB 4.41Å; I81-K162 HydrophobicContact CD1-CD 3.65Å; I81-K162 HydrophobicContact CG2-CB 4.03Å; V83-K162 PolarHBondContact O-N 3.5Å; C84-K162 CarbonylContact C-O 3.53Å; C84-K162 WeakPolarHBondContact CA-O 3.19Å; G85-K162 PolarHBondContact N-O 2.87Å; I160-K162 WeakPolarHBondContact CG2-O 3.33Å; K162-R186 CarbonylContact C-O 3.51Å; K162-R186 VanDerWaalsContact CA-O 3.26Å; K162-R186 WeakPolarHBondContact CA-O 3.5Å; K162-R186 HydrophobicContact CB-CB 4.16Å; K162-R186 HydrophobicContact CG-CB 4.24Å; K162-T188 VanDerWaalsContact NZ-CG2 3.26Å; K162-T188 PolarHBondContact NZ-OG1 3.3Å; K162-E406 WeakPolarHBondContact CD-O 3.48Å; K162-E406 WeakPolarHBondContact CE-O 3.24Å; K162-E406 PolarHBondContact NZ-O 3.02Å; K162-Y407 HydrophobicContact CD-CD1 3.93Å; K162-Y407 HydrophobicContact CD-CE1 3.93Å; K162-Y407 VanDerWaalsContact CE-CE1 3.46Å
163V98.9Very high98.8Very high0 Ų043.2 Ų43.20%025%0.248CC..EExtended strand (participates in β ladder)trans-117.2131.8164.165.20000111.5G85 I87 I154 I175 K185 R186 I187 T188G85-V163 CarbonylContact O-C 3.23Å; G85-V163 VanDerWaalsContact O-CA 3.24Å; G85-V163 WeakPolarHBondContact O-CA 3.26Å; I87-V163 HydrophobicContact CD1-CG2 4.33Å; I154-V163 HydrophobicContact CG2-CG2 4.34Å; V163-I175 HydrophobicContact CG1-CG2 3.74Å; V163-I175 HydrophobicContact CG2-CG2 4.13Å; V163-K185 HydrophobicContact CB-CD 4Å; V163-K185 HydrophobicContact CG1-CD 3.87Å; V163-K185 HydrophobicContact CG1-CG 4.3Å; V163-R186 PolarHBondContact N-O 3.43Å; V163-I187 HydrophobicContact CG1-CB 4.38Å; V163-I187 HydrophobicContact CG1-CG2 3.73Å; V163-I187 WeakPolarHBondContact O-CA 3.3Å; V163-T188 PolarHBondContact O-N 3.44Å
164A98.9Very high98.8Very high1 Ų145.2 Ų45.21%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-114.8120.5168.400000108.9G85 Q86 I87 K100 T188 Y407G85-A164 PolarHBondContact O-N 2.89Å; Q86-A164 WeakPolarHBondContact CA-O 3.39Å; Q86-A164 HydrophobicContact CG-CB 4.44Å; I87-A164 PolarHBondContact N-O 2.89Å; K100-A164 HydrophobicContact CD-CB 4Å; A164-T188 WeakPolarHBondContact CA-O 3.42Å; A164-T188 WeakPolarHBondContact CB-OG1 3.46Å; A164-Y407 WeakPolarHBondContact CB-OH 3.41Å
165F98.9Very high98.8Very high14 Ų1445.2 Ų45.26%0.06125%0.25CS..EExtended strand (participates in β ladder)trans-120.5134.5-177.7171-93.2000110.8I87 V171 I175 T188 L189 E190 L191I87-F165 HydrophobicContact CB-CD2 3.83Å; I87-F165 HydrophobicContact CD1-CD2 4.47Å; I87-F165 HydrophobicContact CG2-CD2 3.69Å; I87-F165 HydrophobicContact CG2-CE2 3.95Å; F165-V171 HydrophobicContact CE1-CB 4.33Å; F165-V171 HydrophobicContact CE1-CG1 4.28Å; F165-V171 HydrophobicContact CE2-CB 4.37Å; F165-V171 HydrophobicContact CE2-CG1 3.61Å; F165-V171 HydrophobicContact CZ-CB 3.72Å; F165-V171 HydrophobicContact CZ-CG1 3.46Å; F165-V171 VanDerWaalsContact CZ-CG1 3.46Å; F165-I175 HydrophobicContact CB-CG1 4.13Å; F165-I175 HydrophobicContact CB-CG2 4.19Å; F165-I175 HydrophobicContact CD1-CG1 4.36Å; F165-I175 HydrophobicContact CD2-CD1 4.23Å; F165-I175 HydrophobicContact CD2-CG1 3.86Å; F165-I175 HydrophobicContact CE2-CG1 4.41Å; F165-I175 HydrophobicContact CG-CG1 3.85Å; F165-T188 PolarHBondContact N-O 3.26Å; F165-L189 HydrophobicContact CB-CD2 3.9Å; F165-L189 HydrophobicContact CD1-CD2 4.18Å; F165-L189 HydrophobicContact CG-CD2 4.48Å; F165-L189 WeakPolarHBondContact O-CA 3.49Å; F165-E190 PolarHBondContact O-N 2.99Å; F165-L191 HydrophobicContact CD1-CD2 3.72Å; F165-L191 HydrophobicContact CE1-CD2 3.66Å
166T98.9Very high98.8Very high13 Ų1349.3 Ų49.38%0.0827%0.269CS..EExtended strand (participates in β ladder)trans-122.1129.2165.9-56.60000110I87 P89 M96 K100 E190I87-T166 PolarHBondContact O-N 3.48Å; P89-T166 WeakPolarHBondContact CD-O 3.26Å; P89-T166 HydrophobicContact CG-CG2 3.84Å; M96-T166 HydrophobicContact SD-CG2 4.1Å; K100-T166 WeakPolarHBondContact CE-OG1 3.27Å; K100-T166 PolarHBondContact NZ-OG1 3.47Å; T166-E190 WeakPolarHBondContact CA-O 3.38Å; T166-E190 HydrophobicContact CG2-CB 3.86Å; T166-E190 WeakPolarHBondContact CG2-O 3.38Å; T166-E190 WeakPolarHBondContact OG1-CB 3.45Å
167G98.5Very high98.8Very high20 Ų2050.8 Ų50.821%0.20627%0.269CS..SBendtrans161.7-153.8-178.900000113.1E190 L191G167-E190 PolarHBondContact N-O 3.27Å; G167-L191 VanDerWaalsContact O-CA 3.26Å; G167-L191 WeakPolarHBondContact O-CA 3.24Å
168S98.6Very high98.8Very high49 Ų4947.1 Ų47.134%0.34326%0.256SS..  trans-66146.6-178.163.40000112.5E170 V171 G172S168-E170 PolarHBondContact O-N 2.92Å; S168-V171 PolarHBondContact O-N 3.44Å; S168-V171 WeakPolarHBondContact OG-CB 3.29Å; S168-V171 VanDerWaalsContact OG-CG2 3.3Å; S168-V171 WeakPolarHBondContact OG-CG2 3.4Å; S168-V171 PolarHBondContact OG-N 3.32Å; S168-G172 PolarHBondContact O-N 3.21Å
169T98.6Very high98.8Very high11 Ų1141 Ų417%0.06723%0.227CC..Hα-helixtrans-58.8-34.5174.3-61.60000113.5G172 K173 L191 G192 Y347 M392T169-G172 PolarHBondContact O-N 3.32Å; T169-K173 PolarHBondContact O-N 3.47Å; T169-K173 VanDerWaalsContact O-N 3.14Å; T169-L191 HydrophobicContact CG2-CD1 4.3Å; T169-L191 WeakPolarHBondContact OG1-CB 3.27Å; T169-G192 PolarHBondContact OG1-N 3.24Å; T169-Y347 WeakPolarHBondContact OG1-CE1 3.49Å; T169-M392 HydrophobicContact CG2-CB 4.04Å; T169-M392 HydrophobicContact CG2-CE 3.58Å; T169-M392 WeakPolarHBondContact CG2-O 3.41Å; T169-M392 PolarHBondContact OG1-O 3.18Å
170E98.5Very high98.8Very high145 Ų14541.1 Ų41.168%0.67823%0.228SC*.Hα-helixtrans-57.8-55.4175.2-176.7-178175.200111.7S168 G172 K173 L174S168-E170 PolarHBondContact O-N 2.92Å; E170-G172 VanDerWaalsContact C-N 3.3Å; E170-G172 PolarHBondContact O-N 3.45Å; E170-K173 WeakPolarHBondContact O-CB 3.3Å; E170-K173 PolarHBondContact O-N 2.91Å; E170-L174 PolarHBondContact O-N 3.31Å
171V98.7Very high98.8Very high56 Ų5648.2 Ų48.234%0.33926%0.258SS..Hα-helixtrans-64.9-34.7176.6178.20000111.6F165 S168 K173 L174 I175F165-V171 HydrophobicContact CE1-CB 4.33Å; F165-V171 HydrophobicContact CE1-CG1 4.28Å; F165-V171 HydrophobicContact CE2-CB 4.37Å; F165-V171 HydrophobicContact CE2-CG1 3.61Å; F165-V171 HydrophobicContact CZ-CB 3.72Å; F165-V171 HydrophobicContact CZ-CG1 3.46Å; F165-V171 VanDerWaalsContact CZ-CG1 3.46Å; S168-V171 PolarHBondContact O-N 3.44Å; S168-V171 WeakPolarHBondContact OG-CB 3.29Å; S168-V171 VanDerWaalsContact OG-CG2 3.3Å; S168-V171 WeakPolarHBondContact OG-CG2 3.4Å; S168-V171 PolarHBondContact OG-N 3.32Å; V171-K173 VanDerWaalsContact C-N 3.26Å; V171-K173 PolarHBondContact O-N 3Å; V171-L174 WeakPolarHBondContact O-CA 3.45Å; V171-L174 WeakPolarHBondContact O-CB 3.49Å; V171-L174 PolarHBondContact O-N 3.33Å; V171-I175 HydrophobicContact CG1-CG1 4.29Å; V171-I175 WeakPolarHBondContact O-CG1 3.49Å; V171-I175 PolarHBondContact O-N 2.75Å
172G98.8Very high98.8Very high0 Ų046.5 Ų46.50%025%0.251CS..Hα-helixtrans-55.3-39.217500000113.3S168 T169 E170 I175 Q176S168-G172 PolarHBondContact O-N 3.21Å; T169-G172 PolarHBondContact O-N 3.32Å; E170-G172 VanDerWaalsContact C-N 3.3Å; E170-G172 PolarHBondContact O-N 3.45Å; G172-I175 PolarHBondContact O-N 3.05Å; G172-Q176 PolarHBondContact O-N 3.28Å
173K98.9Very high98.8Very high126 Ų12648.6 Ų48.655%0.54826%0.262SS..Hα-helixtrans-63.2-42.6173.7-68.2176.1176.9-177.80112T169 E170 V171 I175 Q176 E177T169-K173 PolarHBondContact O-N 3.47Å; T169-K173 VanDerWaalsContact O-N 3.14Å; E170-K173 WeakPolarHBondContact O-CB 3.3Å; E170-K173 PolarHBondContact O-N 2.91Å; V171-K173 VanDerWaalsContact C-N 3.26Å; V171-K173 PolarHBondContact O-N 3Å; K173-I175 VanDerWaalsContact C-N 3.32Å; K173-I175 PolarHBondContact O-N 3.13Å; K173-Q176 WeakPolarHBondContact O-CB 3.46Å; K173-Q176 PolarHBondContact O-N 3.38Å; K173-E177 WeakPolarHBondContact O-CB 3.45Å; K173-E177 PolarHBondContact O-N 3.03Å
174L98.9Very high98.8Very high95 Ų9555.2 Ų55.250%0.49730%0.297SS..Hα-helixtrans-64.6-37.4177.5-58.4177.4000111.8E170 V171 E177 A178E170-L174 PolarHBondContact O-N 3.31Å; V171-L174 WeakPolarHBondContact O-CA 3.45Å; V171-L174 WeakPolarHBondContact O-CB 3.49Å; V171-L174 PolarHBondContact O-N 3.33Å; L174-E177 PolarHBondContact O-N 2.84Å; L174-A178 VanDerWaalsContact O-CB 3.3Å; L174-A178 WeakPolarHBondContact O-CB 3.32Å; L174-A178 PolarHBondContact O-N 2.81Å
175I98.9Very high98.8Very high10 Ų1055.7 Ų55.75%0.05130%0.299CS..Hα-helixtrans-62.5-47.1174.1-63.7-64.2000110.7I87 A155 V163 F165 V171 G172 K173 E177 A178 A179 L189I87-I175 HydrophobicContact CD1-CD1 3.88Å; A155-I175 HydrophobicContact CB-CD1 3.62Å; V163-I175 HydrophobicContact CG1-CG2 3.74Å; V163-I175 HydrophobicContact CG2-CG2 4.13Å; F165-I175 HydrophobicContact CB-CG1 4.13Å; F165-I175 HydrophobicContact CB-CG2 4.19Å; F165-I175 HydrophobicContact CD1-CG1 4.36Å; F165-I175 HydrophobicContact CD2-CD1 4.23Å; F165-I175 HydrophobicContact CD2-CG1 3.86Å; F165-I175 HydrophobicContact CE2-CG1 4.41Å; F165-I175 HydrophobicContact CG-CG1 3.85Å; V171-I175 HydrophobicContact CG1-CG1 4.29Å; V171-I175 WeakPolarHBondContact O-CG1 3.49Å; V171-I175 PolarHBondContact O-N 2.75Å; G172-I175 PolarHBondContact O-N 3.05Å; K173-I175 VanDerWaalsContact C-N 3.32Å; K173-I175 PolarHBondContact O-N 3.13Å; I175-E177 VanDerWaalsContact C-N 3.32Å; I175-E177 PolarHBondContact O-N 3.3Å; I175-A178 PolarHBondContact O-N 3.32Å; I175-A179 PolarHBondContact O-N 2.93Å; I175-L189 HydrophobicContact CB-CD2 4.28Å; I175-L189 HydrophobicContact CG2-CD2 4.03Å
176Q98.8Very high98.8Very high86 Ų8659.2 Ų59.240%0.40231%0.312SS..Hα-helixtrans-55.9-49.6176.2-124.7-4250.200110.9G172 K173 A179 G180 I187 L189G172-Q176 PolarHBondContact O-N 3.28Å; K173-Q176 WeakPolarHBondContact O-CB 3.46Å; K173-Q176 PolarHBondContact O-N 3.38Å; Q176-A179 PolarHBondContact O-N 2.76Å; Q176-G180 PolarHBondContact O-N 3.3Å; Q176-I187 HydrophobicContact CG-CD1 3.7Å; Q176-L189 HydrophobicContact CG-CD1 4.17Å
177E98.9Very high98.7Very high94 Ų9460.2 Ų60.244%0.43932%0.316SS..Hα-helixtrans-63.4-44-177.5-173.1-175.6174.200111.4K173 L174 I175 A179 G180 K181K173-E177 WeakPolarHBondContact O-CB 3.45Å; K173-E177 PolarHBondContact O-N 3.03Å; L174-E177 PolarHBondContact O-N 2.84Å; I175-E177 VanDerWaalsContact C-N 3.32Å; I175-E177 PolarHBondContact O-N 3.3Å; E177-A179 VanDerWaalsContact C-N 3.34Å; E177-A179 PolarHBondContact O-N 3.03Å; E177-G180 PolarHBondContact O-N 3.34Å; E177-K181 HydrophobicContact CG-CD 4.05Å; E177-K181 HydrophobicContact CG-CG 4.5Å; E177-K181 WeakPolarHBondContact O-CB 3.46Å; E177-K181 WeakPolarHBondContact O-CG 3.43Å; E177-K181 PolarHBondContact O-N 2.86Å; E177-K181 WeakPolarHBondContact OE1-CE 3.07Å; E177-K181 IonicContact OE1-NZ 2.64Å; E177-K181 PolarHBondContact OE1-NZ 3.44Å
178A98.8Very high98.8Very high24 Ų2459.7 Ų59.720%0.19831%0.309CS..Hα-helixtrans-63.3-39177.100000112.2A155 L174 I175 K181 S182A155-A178 HydrophobicContact CB-CB 3.88Å; L174-A178 VanDerWaalsContact O-CB 3.3Å; L174-A178 WeakPolarHBondContact O-CB 3.32Å; L174-A178 PolarHBondContact O-N 2.81Å; I175-A178 PolarHBondContact O-N 3.32Å; A178-K181 PolarHBondContact O-N 3.43Å; A178-S182 WeakPolarHBondContact O-CB 3.42Å; A178-S182 PolarHBondContact O-N 3.43Å; A178-S182 VanDerWaalsContact O-N 3.09Å; A178-S182 PolarHBondContact O-OG 3.38Å
179A98.8Very high98.8Very high1 Ų157.6 Ų57.61%0.00829%0.294CS..Hα-helixtrans-62.2-46.8173.600000111.2I175 Q176 E177 K181 S182 L184 K185 I187I175-A179 PolarHBondContact O-N 2.93Å; Q176-A179 PolarHBondContact O-N 2.76Å; E177-A179 VanDerWaalsContact C-N 3.34Å; E177-A179 PolarHBondContact O-N 3.03Å; A179-K181 PolarHBondContact O-N 3.24Å; A179-S182 PolarHBondContact O-N 3.47Å; A179-S182 PolarHBondContact O-OG 3.14Å; A179-L184 WeakPolarHBondContact O-CA 3.27Å; A179-L184 PolarHBondContact O-N 2.95Å; A179-K185 HydrophobicContact CB-CD 4.36Å; A179-K185 HydrophobicContact CB-CG 3.64Å; A179-I187 HydrophobicContact CB-CG2 3.45Å; A179-I187 VanDerWaalsContact CB-CG2 3.45Å
180G98.8Very high98.8Very high44 Ų4457.4 Ų57.445%0.45429%0.292SS..Hα-helixtrans-59.5-43.4176.200000113.8Q176 E177 L184Q176-G180 PolarHBondContact O-N 3.3Å; E177-G180 PolarHBondContact O-N 3.34Å; G180-L184 WeakPolarHBondContact O-CD2 3.36Å
181K98.8Very high98.8Very high158 Ų15851 Ų5169%0.68726%0.263SS*.Hα-helixtrans-74.9-20.8-179-76.2178.4171.4175.20114.5E177 A178 A179E177-K181 HydrophobicContact CG-CD 4.05Å; E177-K181 HydrophobicContact CG-CG 4.5Å; E177-K181 WeakPolarHBondContact O-CB 3.46Å; E177-K181 WeakPolarHBondContact O-CG 3.43Å; E177-K181 PolarHBondContact O-N 2.86Å; E177-K181 WeakPolarHBondContact OE1-CE 3.07Å; E177-K181 IonicContact OE1-NZ 2.64Å; E177-K181 PolarHBondContact OE1-NZ 3.44Å; A178-K181 PolarHBondContact O-N 3.43Å; A179-K181 PolarHBondContact O-N 3.24Å
182S98.8Very high98.8Very high29 Ų2948.5 Ų48.520%0.20325%0.248CC..THydrogen-bonded Turntrans-96.6-98-17654.80000111.5S156 A178 A179 K185S156-S182 WeakPolarHBondContact O-CB 3.5Å; A178-S182 WeakPolarHBondContact O-CB 3.42Å; A178-S182 PolarHBondContact O-N 3.43Å; A178-S182 VanDerWaalsContact O-N 3.09Å; A178-S182 PolarHBondContact O-OG 3.38Å; A179-S182 PolarHBondContact O-N 3.47Å; A179-S182 PolarHBondContact O-OG 3.14Å; S182-K185 PolarHBondContact OG-NZ 3.22Å
183N98.8Very high98.7Very high45 Ų4548.6 Ų48.624%0.24125%0.249CC..THydrogen-bonded Turntrans-119.414.9-171.369.2-19.6000113.5M158 I160 K185M158-N183 HydrophobicContact CE-CB 3.76Å; M158-N183 PolarHBondContact O-ND2 2.87Å; M158-N183 HydrophobicContact SD-CB 3.89Å; I160-N183 PolarHBondContact O-ND2 3.1Å; N183-K185 PolarHBondContact O-N 3.27Å; N183-K185 VanDerWaalsContact OD1-CB 3.24Å; N183-K185 WeakPolarHBondContact OD1-CB 3.35Å; N183-K185 WeakPolarHBondContact OD1-CE 3.49Å; N183-K185 WeakPolarHBondContact OD1-CG 3.28Å; N183-K185 PolarHBondContact OD1-N 2.92Å; N183-K185 VanDerWaalsContact OD1-N 3.15Å; N183-K185 PolarHBondContact OD1-NZ 3.42Å
184L98.8Very high98.7Very high139 Ų13942.7 Ų42.773%0.72822%0.223SC*.  trans5629.4-175.4-55.6176000113.2A179 G180A179-L184 WeakPolarHBondContact O-CA 3.27Å; A179-L184 PolarHBondContact O-N 2.95Å; G180-L184 WeakPolarHBondContact O-CD2 3.36Å
185K98.8Very high98.7Very high10 Ų1038.2 Ų38.24%0.04320%0.2CC..  trans-49.6143.7174.460.917865.660.50110.7A155 H157 I160 D161 V163 A179 S182 N183A155-K185 WeakPolarHBondContact O-CE 3.49Å; A155-K185 PolarHBondContact O-NZ 3.18Å; H157-K185 VanDerWaalsContact O-CE 3.25Å; H157-K185 WeakPolarHBondContact O-CE 3.29Å; H157-K185 PolarHBondContact O-NZ 3.49Å; I160-K185 HydrophobicContact CG2-CD 4.16Å; I160-K185 WeakPolarHBondContact O-CB 3.34Å; I160-K185 VanDerWaalsContact O-CE 3.28Å; I160-K185 WeakPolarHBondContact O-CE 3.18Å; D161-K185 WeakPolarHBondContact O-CA 3.11Å; D161-K185 WeakPolarHBondContact O-CB 3.38Å; V163-K185 HydrophobicContact CB-CD 4Å; V163-K185 HydrophobicContact CG1-CD 3.87Å; V163-K185 HydrophobicContact CG1-CG 4.3Å; A179-K185 HydrophobicContact CB-CD 4.36Å; A179-K185 HydrophobicContact CB-CG 3.64Å; S182-K185 PolarHBondContact OG-NZ 3.22Å; N183-K185 PolarHBondContact O-N 3.27Å; N183-K185 VanDerWaalsContact OD1-CB 3.24Å; N183-K185 WeakPolarHBondContact OD1-CB 3.35Å; N183-K185 WeakPolarHBondContact OD1-CE 3.49Å; N183-K185 WeakPolarHBondContact OD1-CG 3.28Å; N183-K185 PolarHBondContact OD1-N 2.92Å; N183-K185 VanDerWaalsContact OD1-N 3.15Å; N183-K185 PolarHBondContact OD1-NZ 3.42Å
186R98.8Very high98.7Very high89 Ų8938.1 Ų38.134%0.33620%0.2SC..EExtended strand (participates in β ladder)trans-61.6147177-69.9161.9160.7-134.4-12.4110.2I81 D161 K162 V163 T408 E409I81-R186 VanDerWaalsContact CD1-NH1 3.32Å; D161-R186 PolarHBondContact O-N 3.44Å; K162-R186 CarbonylContact C-O 3.51Å; K162-R186 VanDerWaalsContact CA-O 3.26Å; K162-R186 WeakPolarHBondContact CA-O 3.5Å; K162-R186 HydrophobicContact CB-CB 4.16Å; K162-R186 HydrophobicContact CG-CB 4.24Å; V163-R186 PolarHBondContact N-O 3.43Å; R186-T408 PolarHBondContact NH1-O 2.63Å; R186-E409 IonicContact CZ-OE1 3.46Å; R186-E409 IonicContact CZ-OE2 3.93Å; R186-E409 IonicContact NE-OE2 2.63Å; R186-E409 PolarHBondContact NE-OE2 2.86Å; R186-E409 IonicContact NH1-OE2 2.77Å; R186-E409 IonicContact NH2-OE1 2.78Å; R186-E409 PolarHBondContact NH2-OE1 2.99Å; R186-E409 IonicContact NH2-OE2 2.92Å; R186-E409 PolarHBondContact NH2-OE2 2.85Å
187I98.6Very high98.7Very high33 Ų3334 Ų3417%0.16918%0.181CC..EExtended strand (participates in β ladder)trans-128.8140.7-176.663.6120.6000111.5V163 Q176 A179 L189 N395V163-I187 HydrophobicContact CG1-CB 4.38Å; V163-I187 HydrophobicContact CG1-CG2 3.73Å; V163-I187 WeakPolarHBondContact O-CA 3.3Å; Q176-I187 HydrophobicContact CG-CD1 3.7Å; A179-I187 HydrophobicContact CB-CG2 3.45Å; A179-I187 VanDerWaalsContact CB-CG2 3.45Å; I187-L189 HydrophobicContact CD1-CD1 4.07Å; I187-L189 HydrophobicContact CD1-CG 4.07Å; I187-N395 HydrophobicContact CD1-CB 4.47Å
188T98.9Very high98.7Very high9 Ų929.6 Ų29.66%0.05516%0.16CC..EExtended strand (participates in β ladder)trans-133.3138.4161.244.50000109.3K162 V163 A164 F165 N395 E406K162-T188 VanDerWaalsContact NZ-CG2 3.26Å; K162-T188 PolarHBondContact NZ-OG1 3.3Å; V163-T188 PolarHBondContact O-N 3.44Å; A164-T188 WeakPolarHBondContact CA-O 3.42Å; A164-T188 WeakPolarHBondContact CB-OG1 3.46Å; F165-T188 PolarHBondContact N-O 3.26Å; T188-N395 CarbonylContact C-O 3.5Å; T188-N395 VanDerWaalsContact CA-O 3.32Å; T188-N395 WeakPolarHBondContact CA-O 3.41Å; T188-E406 HydrophobicContact CG2-CB 3.9Å; T188-E406 HydrophobicContact CG2-CG 3.8Å; T188-E406 VanDerWaalsContact CG2-OE2 3.31Å; T188-E406 WeakPolarHBondContact CG2-OE2 3.23Å
189L98.9Very high98.7Very high5 Ų528.4 Ų28.43%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-128.9125.8-172.4-59.1179.6000109.5F165 I175 Q176 I187 L191 G394 N395F165-L189 HydrophobicContact CB-CD2 3.9Å; F165-L189 HydrophobicContact CD1-CD2 4.18Å; F165-L189 HydrophobicContact CG-CD2 4.48Å; F165-L189 WeakPolarHBondContact O-CA 3.49Å; I175-L189 HydrophobicContact CB-CD2 4.28Å; I175-L189 HydrophobicContact CG2-CD2 4.03Å; Q176-L189 HydrophobicContact CG-CD1 4.17Å; I187-L189 HydrophobicContact CD1-CD1 4.07Å; I187-L189 HydrophobicContact CD1-CG 4.07Å; L189-L191 HydrophobicContact CB-CD1 4.02Å; L189-L191 HydrophobicContact CB-CD2 4.1Å; L189-L191 HydrophobicContact CB-CG 3.95Å; L189-L191 HydrophobicContact CD1-CD1 4.26Å; L189-G394 CarbonylContact O-C 3.54Å; L189-G394 WeakPolarHBondContact O-CA 3.23Å; L189-N395 PolarHBondContact N-O 3.34Å; L189-N395 PolarHBondContact O-N 3.1Å
190E98.8Very high98.7Very high8 Ų828.5 Ų28.54%0.03715%0.15CC..EExtended strand (participates in β ladder)trans-115.9108.3169.2-76.2-61.9143.300108.5F165 T166 G167 F387 G388 E398F165-E190 PolarHBondContact O-N 2.99Å; T166-E190 WeakPolarHBondContact CA-O 3.38Å; T166-E190 HydrophobicContact CG2-CB 3.86Å; T166-E190 WeakPolarHBondContact CG2-O 3.38Å; T166-E190 WeakPolarHBondContact OG1-CB 3.45Å; G167-E190 PolarHBondContact N-O 3.27Å; E190-F387 WeakPolarHBondContact OE2-CE1 3.3Å; E190-G388 WeakPolarHBondContact OE1-CA 3.45Å; E190-G388 WeakPolarHBondContact OE2-CA 3.16Å; E190-E398 HydrophobicContact CG-CG 3.88Å
191L98.8Very high98.7Very high11 Ų1128.2 Ų28.26%0.05814%0.144CC..  trans-117.4-167.3-163.7-51.4174000112.6F165 G167 T169 L189 M392 S393F165-L191 HydrophobicContact CD1-CD2 3.72Å; F165-L191 HydrophobicContact CE1-CD2 3.66Å; G167-L191 VanDerWaalsContact O-CA 3.26Å; G167-L191 WeakPolarHBondContact O-CA 3.24Å; T169-L191 HydrophobicContact CG2-CD1 4.3Å; T169-L191 WeakPolarHBondContact OG1-CB 3.27Å; L189-L191 HydrophobicContact CB-CD1 4.02Å; L189-L191 HydrophobicContact CB-CD2 4.1Å; L189-L191 HydrophobicContact CB-CG 3.95Å; L189-L191 HydrophobicContact CD1-CD1 4.26Å; L191-M392 WeakPolarHBondContact CD1-O 3.49Å; L191-S393 WeakPolarHBondContact CA-O 3.14Å; L191-S393 WeakPolarHBondContact CB-O 3.47Å; L191-S393 PolarHBondContact N-O 2.91Å
192G97.6Very high98.7Very high2 Ų223 Ų232%0.02112%0.123CC..  trans-69.8172.4-178.200000113.5T169 E321 Y347 S393T169-G192 PolarHBondContact OG1-N 3.24Å; G192-E321 WeakPolarHBondContact CA-OE1 3.44Å; G192-E321 WeakPolarHBondContact CA-OE2 2.99Å; G192-Y347 WeakPolarHBondContact O-CD1 3.38Å; G192-S393 WeakPolarHBondContact O-CB 3.41Å; G192-S393 PolarHBondContact O-OG 3.47Å
193G98.1Very high98.7Very high2 Ų222.2 Ų22.22%0.02112%0.119CC..  trans-146.5157.6178.100000114E321G193-E321 PolarHBondContact N-OE1 2.93Å; G193-E321 VanDerWaalsContact N-OE1 3.1Å
194K98.7Very high98.7Very high2 Ų224.8 Ų24.81%0.00913%0.133CC..  trans-131.165.5167.4-163.273.7-167.3179.60110S228 R229 I317 A318 E320 Y347K194-S228 WeakPolarHBondContact CD-OG 3.25Å; K194-S228 WeakPolarHBondContact CE-O 3.5Å; K194-S228 WeakPolarHBondContact CE-OG 3.42Å; K194-S228 PolarHBondContact NZ-OG 3.15Å; K194-R229 HydrophobicContact CG-CG 3.96Å; K194-R229 PolarHBondContact O-NE 2.92Å; K194-R229 PolarHBondContact O-NH2 2.96Å; K194-I317 VanDerWaalsContact CE-O 3.26Å; K194-I317 WeakPolarHBondContact CE-O 3.29Å; K194-I317 PolarHBondContact NZ-O 3Å; K194-A318 VanDerWaalsContact CE-O 3.26Å; K194-A318 WeakPolarHBondContact CE-O 3.35Å; K194-A318 VanDerWaalsContact CG-O 3.28Å; K194-A318 WeakPolarHBondContact CG-O 3.34Å; K194-E320 WeakPolarHBondContact CD-O 3.46Å; K194-E320 PolarHBondContact NZ-O 3.09Å; K194-Y347 HydrophobicContact CB-CD2 3.67Å; K194-Y347 HydrophobicContact CB-CE2 4.34Å; K194-Y347 HydrophobicContact CB-CG 4.41Å
195N98.8Very high98.7Very high1 Ų119.6 Ų19.61%0.00511%0.106CC..  trans-75128.3-158.6-51.8-64.1000112.3C224 T225 A226 G227 S228 R229 L349 V350N195-C224 PolarHBondContact ND2-O 2.92Å; N195-T225 PolarHBondContact ND2-O 3.04Å; N195-A226 WeakPolarHBondContact CB-O 3.42Å; N195-A226 PolarHBondContact ND2-O 2.87Å; N195-G227 CarbonylContact O-C 3.54Å; N195-S228 PolarHBondContact O-N 2.78Å; N195-R229 PolarHBondContact O-N 2.93Å; N195-L349 WeakPolarHBondContact OD1-CB 3.37Å; N195-V350 HydrophobicContact CB-CG2 3.64Å; N195-V350 WeakPolarHBondContact CB-O 3.26Å; N195-V350 PolarHBondContact OD1-N 2.88Å; N195-V350 PolarHBondContact OD1-O 2.93Å; N195-V350 VanDerWaalsContact OD1-O 3.11Å
196P98.8Very high98.7Very high9 Ų924 Ų246%0.05813%0.129CC..EExtended strand (participates in β ladder)trans-77.5135.6175.831.9-32000111.3R229 F231 A342 V350 A351 A352P196-R229 CarbonylContact C-O 3.58Å; P196-R229 WeakPolarHBondContact CA-O 3.36Å; P196-F231 HydrophobicContact CB-CD2 4.06Å; P196-F231 HydrophobicContact CB-CE2 3.78Å; P196-A342 HydrophobicContact CB-CB 3.72Å; P196-A342 HydrophobicContact CG-CB 3.83Å; P196-V350 WeakPolarHBondContact CD-O 3.42Å; P196-A351 HydrophobicContact CG-CB 3.79Å; P196-A351 CarbonylContact O-C 3.48Å; P196-A351 VanDerWaalsContact O-CA 3.25Å; P196-A351 WeakPolarHBondContact O-CA 3.37Å; P196-A352 PolarHBondContact O-N 2.95Å
197N98.9Very high98.7Very high0 Ų022.7 Ų22.70%013%0.131CC..EExtended strand (participates in β ladder)trans-120.8109.1169.9-175.913.2000108.6I199 A212 R229 I230 F231 F354 F378N197-I199 WeakPolarHBondContact OD1-CD1 3.24Å; N197-A212 WeakPolarHBondContact ND2-CB 3.29Å; N197-R229 PolarHBondContact N-O 3.35Å; N197-I230 HydrophobicContact CB-CG1 4.32Å; N197-I230 CarbonylContact O-C 3.58Å; N197-I230 VanDerWaalsContact O-CA 3.28Å; N197-I230 WeakPolarHBondContact O-CA 3.5Å; N197-F231 PolarHBondContact O-N 2.95Å; N197-F354 WeakPolarHBondContact OD1-CD2 3.45Å; N197-F354 VanDerWaalsContact OD1-CE2 3.26Å; N197-F354 WeakPolarHBondContact OD1-CE2 3.46Å; N197-F378 HydrophobicContact CB-CD2 4.42Å; N197-F378 HydrophobicContact CB-CE2 3.88Å
198I98.9Very high98.7Very high0 Ų021.1 Ų21.10%012%0.123CC..EExtended strand (participates in β ladder)trans-102.9122.5-168.9-56.1171.2000109.6F200 F231 F332 V338 A342 A352 V353 F354 I364 L368I198-F200 HydrophobicContact CG2-CD2 4.14Å; I198-F200 HydrophobicContact CG2-CE2 3.46Å; I198-F200 VanDerWaalsContact CG2-CE2 3.46Å; I198-F200 HydrophobicContact CG2-CZ 3.94Å; I198-F231 CarbonylContact C-O 3.56Å; I198-F231 WeakPolarHBondContact CA-O 3.48Å; I198-F231 HydrophobicContact CG1-CB 4.43Å; I198-F231 HydrophobicContact CG1-CD2 4.4Å; I198-F332 HydrophobicContact CG2-CE1 4Å; I198-F332 HydrophobicContact CG2-CZ 3.95Å; I198-V338 HydrophobicContact CD1-CG1 4.38Å; I198-V338 HydrophobicContact CD1-CG2 3.98Å; I198-V338 HydrophobicContact CG1-CG2 3.92Å; I198-V338 HydrophobicContact CG2-CG1 4.05Å; I198-V338 HydrophobicContact CG2-CG2 3.84Å; I198-A342 HydrophobicContact CD1-CB 4.08Å; I198-A352 PolarHBondContact N-O 3.03Å; I198-V353 CarbonylContact O-C 3.41Å; I198-V353 WeakPolarHBondContact O-CA 3.36Å; I198-F354 PolarHBondContact O-N 2.72Å; I198-I364 HydrophobicContact CD1-CG2 4.12Å; I198-L368 HydrophobicContact CD1-CD1 4.37Å; I198-L368 HydrophobicContact CD1-CD2 4.19Å
199I98.9Very high98.7Very high0 Ų021.1 Ų21.10%012%0.123CC..EExtended strand (participates in β ladder)trans-117110.3-176.2-42.7-58.4000109.6N197 A203 A208 I230 F231 V232 E233 I236 F240 F332 F354N197-I199 WeakPolarHBondContact OD1-CD1 3.24Å; I199-A203 HydrophobicContact CG2-CB 4.12Å; I199-A208 HydrophobicContact CD1-CB 4.26Å; I199-A208 HydrophobicContact CG2-CB 3.74Å; I199-I230 HydrophobicContact CG1-CG2 3.93Å; I199-F231 PolarHBondContact N-O 2.84Å; I199-V232 HydrophobicContact CB-CG1 4.44Å; I199-V232 HydrophobicContact CB-CG2 4.29Å; I199-V232 HydrophobicContact CG1-CG2 4.22Å; I199-E233 PolarHBondContact O-N 3.06Å; I199-I236 HydrophobicContact CG2-CD1 4.05Å; I199-F240 HydrophobicContact CB-CE2 4.42Å; I199-F240 HydrophobicContact CG1-CE2 3.9Å; I199-F240 HydrophobicContact CG1-CZ 4.14Å; I199-F240 HydrophobicContact CG2-CD2 4.19Å; I199-F240 HydrophobicContact CG2-CE2 4.04Å; I199-F332 WeakPolarHBondContact O-CE1 3.34Å; I199-F354 HydrophobicContact CD1-CB 3.84Å; I199-F354 HydrophobicContact CD1-CD2 3.38Å; I199-F354 HydrophobicContact CD1-CE2 4.16Å; I199-F354 HydrophobicContact CD1-CG 3.74Å; I199-F354 HydrophobicContact CG2-CB 4.37Å
200F98.9Very high98.7Very high2 Ų223.7 Ų23.71%0.00914%0.135CC..  trans-82.5157.5173.7-74.2-85.1000112I198 D202 A203 E233 I236 F332 I335 V338 V353 F354 K360 I364I198-F200 HydrophobicContact CG2-CD2 4.14Å; I198-F200 HydrophobicContact CG2-CE2 3.46Å; I198-F200 VanDerWaalsContact CG2-CE2 3.46Å; I198-F200 HydrophobicContact CG2-CZ 3.94Å; F200-D202 VanDerWaalsContact CB-OD1 3.29Å; F200-D202 WeakPolarHBondContact CB-OD1 3.4Å; F200-D202 PolarHBondContact O-N 3Å; F200-A203 WeakPolarHBondContact O-CB 3.4Å; F200-A203 PolarHBondContact O-N 3.38Å; F200-E233 WeakPolarHBondContact CA-OE2 3.24Å; F200-E233 WeakPolarHBondContact CD1-OE2 3.41Å; F200-I236 WeakPolarHBondContact O-CD1 3.19Å; F200-F332 HydrophobicContact CD1-CE2 4.19Å; F200-F332 AromaticContact CD1-CZ 3.95Å; F200-F332 HydrophobicContact CD1-CZ 3.95Å; F200-F332 AromaticContact CE1-CE2 3.64Å; F200-F332 HydrophobicContact CE1-CE2 3.64Å; F200-F332 AromaticContact CE1-CZ 3.72Å; F200-F332 HydrophobicContact CE1-CZ 3.72Å; F200-F332 HydrophobicContact CE2-CZ 4.4Å; F200-F332 HydrophobicContact CG-CZ 4.39Å; F200-F332 HydrophobicContact CZ-CE2 4.03Å; F200-F332 AromaticContact CZ-CZ 3.94Å; F200-F332 HydrophobicContact CZ-CZ 3.94Å; F200-I335 HydrophobicContact CE1-CD1 4.31Å; F200-I335 HydrophobicContact CE1-CG1 3.52Å; F200-I335 HydrophobicContact CZ-CG1 3.83Å; F200-V338 HydrophobicContact CZ-CG1 4.23Å; F200-V353 HydrophobicContact CD2-CG2 4.04Å; F200-V353 HydrophobicContact CE2-CG2 3.87Å; F200-F354 WeakPolarHBondContact CB-O 3.24Å; F200-F354 PolarHBondContact N-O 2.86Å; F200-K360 HydrophobicContact CD1-CD 3.94Å; F200-K360 HydrophobicContact CE1-CD 4.27Å; F200-K360 HydrophobicContact CG-CD 4.16Å; F200-I364 HydrophobicContact CD2-CD1 4.27Å; F200-I364 HydrophobicContact CE1-CD1 4.42Å; F200-I364 HydrophobicContact CE2-CD1 3.09Å; F200-I364 HydrophobicContact CZ-CD1 3.2Å
201A98.8Very high98.7Very high38 Ų3826.1 Ų26.131%0.31415%0.146SC..THydrogen-bonded Turntrans-62.9-21.4178.300000113.9E233 S235 I236A201-E233 HydrophobicContact CB-CB 4.32Å; A201-E233 HydrophobicContact CB-CG 4.31Å; A201-E233 VanDerWaalsContact CB-OE2 3.28Å; A201-E233 WeakPolarHBondContact CB-OE2 3.29Å; A201-E233 PolarHBondContact N-OE2 3.04Å; A201-S235 VanDerWaalsContact CB-OG 3.26Å; A201-S235 WeakPolarHBondContact CB-OG 3.17Å; A201-I236 HydrophobicContact CB-CG1 4.28Å; A201-I236 HydrophobicContact CB-CG2 3.94Å
202D98.7Very high98.7Very high48 Ų4825.6 Ų25.626%0.25714%0.144SC..THydrogen-bonded Turntrans-91.33.9175.463.313.6000113.6F200 T355 S356 K360F200-D202 VanDerWaalsContact CB-OD1 3.29Å; F200-D202 WeakPolarHBondContact CB-OD1 3.4Å; F200-D202 PolarHBondContact O-N 3Å; D202-T355 VanDerWaalsContact CG-OG1 3.26Å; D202-T355 VanDerWaalsContact OD1-CA 3.31Å; D202-T355 WeakPolarHBondContact OD1-CA 3.5Å; D202-T355 VanDerWaalsContact OD1-CB 3.29Å; D202-T355 WeakPolarHBondContact OD1-CB 3.45Å; D202-T355 PolarHBondContact OD1-OG1 2.72Å; D202-T355 PolarHBondContact OD2-OG1 3.02Å; D202-S356 PolarHBondContact O-OG 2.93Å; D202-K360 IonicContact OD2-NZ 2.88Å; D202-K360 PolarHBondContact OD2-NZ 3.44Å
203A98.8Very high98.8Very high13 Ų1325.5 Ų25.511%0.10714%0.143CC..SBendtrans-67.3151.917200000111.3I199 F200 L205 A208 F354I199-A203 HydrophobicContact CG2-CB 4.12Å; F200-A203 WeakPolarHBondContact O-CB 3.4Å; F200-A203 PolarHBondContact O-N 3.38Å; A203-L205 PolarHBondContact O-N 2.91Å; A203-A208 HydrophobicContact CB-CB 4.39Å; A203-F354 HydrophobicContact CB-CB 3.86Å
204D98.7Very high98.8Very high100 Ų10028.1 Ų28.154%0.53515%0.154SC..  trans-63.4106.4159.2-177.4-38.1000108.3D206 V207 A208D204-D206 VanDerWaalsContact C-N 3.33Å; D204-D206 PolarHBondContact O-N 2.99Å; D204-D206 PolarHBondContact OD1-N 3.42Å; D204-D206 VanDerWaalsContact OD1-N 3.12Å; D204-V207 HydrophobicContact CB-CB 4.03Å; D204-V207 HydrophobicContact CB-CG2 4.13Å; D204-V207 VanDerWaalsContact CG-CG2 3.48Å; D204-V207 PolarHBondContact O-N 3.06Å; D204-V207 PolarHBondContact OD1-N 3.3Å; D204-A208 VanDerWaalsContact O-CB 3.25Å; D204-A208 WeakPolarHBondContact O-CB 3.38Å; D204-A208 PolarHBondContact O-N 2.87Å
205L98.7Very high98.8Very high30 Ų3028.1 Ų28.116%0.15716%0.155CC..Hα-helixtrans-65.3-35.8-171.2-176.258.6000112.6A203 A208 V209 I236 E239 F240A203-L205 PolarHBondContact O-N 2.91Å; L205-A208 PolarHBondContact O-N 3.41Å; L205-V209 HydrophobicContact CD1-CG2 4.16Å; L205-V209 HydrophobicContact CG-CG2 4.49Å; L205-V209 WeakPolarHBondContact O-CB 3.44Å; L205-V209 VanDerWaalsContact O-CG2 3.23Å; L205-V209 WeakPolarHBondContact O-CG2 3.49Å; L205-V209 PolarHBondContact O-N 3.1Å; L205-I236 HydrophobicContact CD1-CD1 4.23Å; L205-E239 HydrophobicContact CD2-CB 4.45Å; L205-E239 HydrophobicContact CD2-CG 3.7Å; L205-F240 HydrophobicContact CD1-CB 4.14Å; L205-F240 HydrophobicContact CD1-CD2 3.65Å; L205-F240 HydrophobicContact CD1-CG 4.37Å
206D98.6Very high98.7Very high102 Ų10228.2 Ų28.255%0.54516%0.156SC..Hα-helixtrans-71-43.1-179.9-77.3-43.2000111D204 E210 R243D204-D206 VanDerWaalsContact C-N 3.33Å; D204-D206 PolarHBondContact O-N 2.99Å; D204-D206 PolarHBondContact OD1-N 3.42Å; D204-D206 VanDerWaalsContact OD1-N 3.12Å; D206-E210 PolarHBondContact O-N 2.97Å; D206-E210 VanDerWaalsContact O-N 3.13Å; D206-R243 IonicContact OD1-CZ 2.75Å; D206-R243 IonicContact OD1-NH1 3.88Å; D206-R243 PolarHBondContact OD1-NH1 3.35Å; D206-R243 IonicContact OD2-NH1 2.86Å; D206-R243 PolarHBondContact OD2-NH1 2.91Å
207V98.7Very high98.7Very high61 Ų6127.8 Ų27.837%0.3715%0.153SC..Hα-helixtrans-62.3-46173.3174.20000110.5D204 V209 E210 Q211 F354D204-V207 HydrophobicContact CB-CB 4.03Å; D204-V207 HydrophobicContact CB-CG2 4.13Å; D204-V207 VanDerWaalsContact CG-CG2 3.48Å; D204-V207 PolarHBondContact O-N 3.06Å; D204-V207 PolarHBondContact OD1-N 3.3Å; V207-V209 PolarHBondContact O-N 2.9Å; V207-E210 PolarHBondContact O-N 2.91Å; V207-Q211 HydrophobicContact CG1-CG 4.01Å; V207-Q211 VanDerWaalsContact O-CB 3.26Å; V207-Q211 WeakPolarHBondContact O-CB 3.16Å; V207-Q211 WeakPolarHBondContact O-CG 3.42Å; V207-Q211 PolarHBondContact O-N 3.1Å; V207-F354 HydrophobicContact CG1-CE1 4.37Å
208A98.8Very high98.7Very high0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-61.4-43.8-179.600000112.2I199 A203 D204 L205 A212 F240 F354I199-A208 HydrophobicContact CD1-CB 4.26Å; I199-A208 HydrophobicContact CG2-CB 3.74Å; A203-A208 HydrophobicContact CB-CB 4.39Å; D204-A208 VanDerWaalsContact O-CB 3.25Å; D204-A208 WeakPolarHBondContact O-CB 3.38Å; D204-A208 PolarHBondContact O-N 2.87Å; L205-A208 PolarHBondContact O-N 3.41Å; A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 2.63Å; A208-F240 HydrophobicContact CB-CE2 4.2Å; A208-F354 HydrophobicContact CB-CB 4.32Å; A208-F354 HydrophobicContact CB-CD1 3.95Å; A208-F354 HydrophobicContact CB-CG 4.21Å
209V98.9Very high98.7Very high9 Ų930.9 Ų30.96%0.05517%0.167CC..Hα-helixtrans-63.5-48.3177.7168.30000111.3L205 V207 A212 H213 F240 R243L205-V209 HydrophobicContact CD1-CG2 4.16Å; L205-V209 HydrophobicContact CG-CG2 4.49Å; L205-V209 WeakPolarHBondContact O-CB 3.44Å; L205-V209 VanDerWaalsContact O-CG2 3.23Å; L205-V209 WeakPolarHBondContact O-CG2 3.49Å; L205-V209 PolarHBondContact O-N 3.1Å; V207-V209 PolarHBondContact O-N 2.9Å; V209-A212 PolarHBondContact O-N 3.21Å; V209-H213 VanDerWaalsContact O-CB 3.28Å; V209-H213 WeakPolarHBondContact O-CB 3.42Å; V209-H213 PolarHBondContact O-N 2.98Å; V209-F240 HydrophobicContact CB-CE2 4.46Å; V209-F240 HydrophobicContact CG2-CD2 3.63Å; V209-F240 HydrophobicContact CG2-CE2 3.7Å; V209-F240 HydrophobicContact CG2-CG 4.15Å; V209-F240 HydrophobicContact CG2-CZ 4.29Å; V209-R243 HydrophobicContact CB-CB 4.49Å; V209-R243 HydrophobicContact CG1-CB 3.95Å; V209-R243 HydrophobicContact CG2-CB 3.93Å
210E98.8Very high98.7Very high60 Ų6031 Ų3128%0.2817%0.169SC..Hα-helixtrans-67.1-42.8-179.4-176.360.5-149.700111.4D206 V207 H213 Q214 R247D206-E210 PolarHBondContact O-N 2.97Å; D206-E210 VanDerWaalsContact O-N 3.13Å; V207-E210 PolarHBondContact O-N 2.91Å; E210-H213 WeakPolarHBondContact O-CB 3.4Å; E210-H213 PolarHBondContact O-N 3.18Å; E210-Q214 WeakPolarHBondContact O-CG 3.42Å; E210-Q214 PolarHBondContact O-N 3.41Å; E210-Q214 PolarHBondContact OE1-NE2 3.5Å; E210-R247 IonicContact OE1-CZ 3.69Å; E210-R247 IonicContact OE1-NE 3.26Å; E210-R247 PolarHBondContact OE1-NE 3.4Å; E210-R247 IonicContact OE1-NH2 3.74Å; E210-R247 PolarHBondContact OE1-NH2 3.45Å; E210-R247 WeakPolarHBondContact OE2-CD 3.45Å; E210-R247 IonicContact OE2-CZ 3.26Å; E210-R247 IonicContact OE2-NE 2.88Å; E210-R247 PolarHBondContact OE2-NE 3.1Å; E210-R247 IonicContact OE2-NH2 2.64Å
211Q98.8Very high98.6Very high58 Ų5831 Ų3127%0.27117%0.169SC..Hα-helixtrans-66.3-39.7178.3-70.1-71.5-49.700112V207 G215 F354V207-Q211 HydrophobicContact CG1-CG 4.01Å; V207-Q211 VanDerWaalsContact O-CB 3.26Å; V207-Q211 WeakPolarHBondContact O-CB 3.16Å; V207-Q211 WeakPolarHBondContact O-CG 3.42Å; V207-Q211 PolarHBondContact O-N 3.1Å; Q211-G215 WeakPolarHBondContact O-CA 3.5Å; Q211-G215 PolarHBondContact O-N 3.33Å; Q211-F354 HydrophobicContact CB-CE1 3.69Å; Q211-F354 HydrophobicContact CB-CZ 3.45Å; Q211-F354 VanDerWaalsContact CB-CZ 3.45Å; Q211-F354 HydrophobicContact CG-CE1 3.91Å; Q211-F354 HydrophobicContact CG-CZ 4.03Å
212A98.8Very high98.6Very high0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-67.8-36.4175.100000112.1N197 A208 V209 G215 V216 I230 F240N197-A212 WeakPolarHBondContact ND2-CB 3.29Å; A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 2.63Å; V209-A212 PolarHBondContact O-N 3.21Å; A212-G215 PolarHBondContact O-N 3.44Å; A212-V216 WeakPolarHBondContact O-CG1 3.27Å; A212-V216 PolarHBondContact O-N 3.27Å; A212-I230 HydrophobicContact CB-CD1 3.96Å; A212-F240 HydrophobicContact CB-CZ 3.76Å
213H98.9Very high98.6Very high0 Ų027.5 Ų27.50%015%0.145CC..Hα-helixtrans-61.6-54.2172.5178.882.7000111.1V209 E210 G215 V216 F217 R247V209-H213 VanDerWaalsContact O-CB 3.28Å; V209-H213 WeakPolarHBondContact O-CB 3.42Å; V209-H213 PolarHBondContact O-N 2.98Å; E210-H213 WeakPolarHBondContact O-CB 3.4Å; E210-H213 PolarHBondContact O-N 3.18Å; H213-G215 VanDerWaalsContact C-N 3.27Å; H213-G215 PolarHBondContact O-N 3.02Å; H213-V216 PolarHBondContact O-N 3.47Å; H213-F217 AromaticContact CE1-CD2 3.29Å; H213-F217 WeakPolarHBondContact CE1-CD2 3.23Å; H213-F217 AromaticContact CE1-CE2 3.73Å; H213-F217 AromaticContact CE1-CG 3.92Å; H213-F217 AromaticContact CG-CD2 3.82Å; H213-F217 AromaticContact ND1-CD2 3.18Å; H213-F217 WeakPolarHBondContact ND1-CD2 3.44Å; H213-F217 AromaticContact ND1-CE2 3.45Å; H213-F217 WeakPolarHBondContact ND1-CE2 3.25Å; H213-F217 AromaticContact NE2-CD2 3.98Å; H213-F217 WeakPolarHBondContact O-CB 3.35Å; H213-F217 VanDerWaalsContact O-CD2 3.27Å; H213-F217 WeakPolarHBondContact O-CD2 3.38Å; H213-F217 PolarHBondContact O-N 2.82Å; H213-R247 HydrophobicContact CB-CG 3.93Å; H213-R247 VanDerWaalsContact CG-CG 3.43Å; H213-R247 WeakPolarHBondContact ND1-CG 3.38Å; H213-R247 PolarHBondContact NE2-NH1 3.23Å
214Q98.6Very high98.6Very high57 Ų5728.3 Ų28.327%0.26615%0.15SC..Hα-helixtrans-61.1-39.2176.2-64.3-56.9-28.500111.5E210 V216 F218E210-Q214 WeakPolarHBondContact O-CG 3.42Å; E210-Q214 PolarHBondContact O-N 3.41Å; E210-Q214 PolarHBondContact OE1-NE2 3.5Å; Q214-V216 PolarHBondContact O-N 2.84Å; Q214-V216 VanDerWaalsContact O-N 3.15Å; Q214-F218 WeakPolarHBondContact O-CB 3.47Å; Q214-F218 PolarHBondContact O-N 2.92Å
215G98.3Very high98.6Very high3 Ų323.6 Ų23.63%0.03113%0.125CC..Hα-helixtrans-58.1-28.2-179.600000114.3Q211 A212 H213 A226 G227Q211-G215 WeakPolarHBondContact O-CA 3.5Å; Q211-G215 PolarHBondContact O-N 3.33Å; A212-G215 PolarHBondContact O-N 3.44Å; H213-G215 VanDerWaalsContact C-N 3.27Å; H213-G215 PolarHBondContact O-N 3.02Å; G215-A226 VanDerWaalsContact O-CA 3.3Å; G215-A226 WeakPolarHBondContact O-CA 3.22Å; G215-G227 PolarHBondContact O-N 3.48Å
216V98.4Very high98.6Very high3 Ų322.7 Ų22.72%0.01812%0.122CC..Hα-helixtrans-106.2-34177.372.30000113.9A212 H213 Q214 G221 Q327A212-V216 WeakPolarHBondContact O-CG1 3.27Å; A212-V216 PolarHBondContact O-N 3.27Å; H213-V216 PolarHBondContact O-N 3.47Å; Q214-V216 PolarHBondContact O-N 2.84Å; Q214-V216 VanDerWaalsContact O-N 3.15Å; V216-G221 WeakPolarHBondContact O-CA 3.45Å; V216-Q327 HydrophobicContact CG1-CB 3.83Å; V216-Q327 HydrophobicContact CG1-CG 3.87Å; V216-Q327 HydrophobicContact CG2-CB 4.47Å
217F98.8Very high98.6Very high0 Ų017.9 Ų17.90%010%0.096CC..Hα-helixtrans-93.3-12.1-174.2-69.8-74.1000114.4H213 N219 A220 G221 A248 R251 P305 V307 P325 Q327H213-F217 AromaticContact CE1-CD2 3.29Å; H213-F217 WeakPolarHBondContact CE1-CD2 3.23Å; H213-F217 AromaticContact CE1-CE2 3.73Å; H213-F217 AromaticContact CE1-CG 3.92Å; H213-F217 AromaticContact CG-CD2 3.82Å; H213-F217 AromaticContact ND1-CD2 3.18Å; H213-F217 WeakPolarHBondContact ND1-CD2 3.44Å; H213-F217 AromaticContact ND1-CE2 3.45Å; H213-F217 WeakPolarHBondContact ND1-CE2 3.25Å; H213-F217 AromaticContact NE2-CD2 3.98Å; H213-F217 WeakPolarHBondContact O-CB 3.35Å; H213-F217 VanDerWaalsContact O-CD2 3.27Å; H213-F217 WeakPolarHBondContact O-CD2 3.38Å; H213-F217 PolarHBondContact O-N 2.82Å; F217-N219 PolarHBondContact O-N 3.46Å; F217-A220 PolarHBondContact O-N 2.86Å; F217-A220 VanDerWaalsContact O-N 3.13Å; F217-G221 PolarHBondContact O-N 3.41Å; F217-A248 HydrophobicContact CE2-CB 4.42Å; F217-A248 HydrophobicContact CZ-CB 4.32Å; F217-R251 PolarHBondContact O-NH2 2.93Å; F217-R251 VanDerWaalsContact O-NH2 3.09Å; F217-P305 HydrophobicContact CD1-CB 4.25Å; F217-P305 HydrophobicContact CE1-CB 3.73Å; F217-P305 HydrophobicContact CZ-CB 4.22Å; F217-V307 HydrophobicContact CZ-CG2 4.21Å; F217-P325 HydrophobicContact CD1-CB 3.68Å; F217-P325 HydrophobicContact CE1-CB 3.91Å; F217-P325 WeakPolarHBondContact CE1-O 3.32Å; F217-Q327 HydrophobicContact CE2-CB 3.88Å; F217-Q327 HydrophobicContact CZ-CB 3.81Å
218F98.4Very high98.6Very high49 Ų4915.4 Ų15.422%0.2158%0.081CC..G310 helixtrans-53.4137.6176.8178.4-112.5000111V42 F92 Q214 A220 G221V42-F218 HydrophobicContact CG1-CZ 4.13Å; F92-F218 AromaticContact CE1-CE1 3.66Å; F92-F218 HydrophobicContact CE1-CE1 3.66Å; F92-F218 HydrophobicContact CE1-CZ 4.07Å; F92-F218 HydrophobicContact CZ-CD1 4.2Å; F92-F218 AromaticContact CZ-CE1 3.57Å; F92-F218 HydrophobicContact CZ-CE1 3.57Å; F92-F218 HydrophobicContact CZ-CZ 4.4Å; Q214-F218 WeakPolarHBondContact O-CB 3.47Å; Q214-F218 PolarHBondContact O-N 2.92Å; F218-A220 VanDerWaalsContact C-N 3.27Å; F218-A220 PolarHBondContact O-N 2.88Å; F218-G221 WeakPolarHBondContact O-CA 3.06Å; F218-G221 PolarHBondContact O-N 3.17Å
219N98.3Very high98.6Very high15 Ų1516 Ų168%0.088%0.083CC..G310 helixtrans55.637.4-176.8-165.434.3000114.1K34 N91 F92 F217 G221 Q222K34-N219 WeakPolarHBondContact CE-OD1 3.3Å; K34-N219 WeakPolarHBondContact CG-OD1 3.37Å; N91-N219 PolarHBondContact O-ND2 3.25Å; F92-N219 HydrophobicContact CE1-CB 4.43Å; F92-N219 WeakPolarHBondContact CE2-ND2 3.35Å; F92-N219 HydrophobicContact CZ-CB 3.83Å; F92-N219 WeakPolarHBondContact CZ-ND2 3.34Å; F217-N219 PolarHBondContact O-N 3.46Å; N219-G221 PolarHBondContact O-N 3.08Å; N219-Q222 PolarHBondContact ND2-O 2.84Å; N219-Q222 VanDerWaalsContact O-CB 3.28Å; N219-Q222 WeakPolarHBondContact O-CB 3.32Å; N219-Q222 WeakPolarHBondContact O-CG 3.29Å; N219-Q222 PolarHBondContact O-N 2.82Å; N219-Q222 PolarHBondContact O-NE2 3.1Å
220A98.3Very high98.6Very high4 Ų415.5 Ų15.53%0.0338%0.081CC..G310 helixtrans55.832.4-173.400000113.1F217 F218 Q222 Q263 Q266 G324 P325F217-A220 PolarHBondContact O-N 2.86Å; F217-A220 VanDerWaalsContact O-N 3.13Å; F218-A220 VanDerWaalsContact C-N 3.27Å; F218-A220 PolarHBondContact O-N 2.88Å; A220-Q222 PolarHBondContact O-N 3.09Å; A220-Q263 HydrophobicContact CB-CG 3.97Å; A220-Q266 PolarHBondContact O-NE2 2.98Å; A220-Q266 VanDerWaalsContact O-NE2 3.17Å; A220-G324 CarbonylContact O-C 3.47Å; A220-G324 WeakPolarHBondContact O-CA 3.42Å; A220-P325 WeakPolarHBondContact O-CD 3.43Å
221G98.5Very high98.6Very high1 Ų112.7 Ų12.71%0.017%0.067CC..G310 helixtrans71.18.3-175.600000115.3V216 F217 F218 N219 C223 F323 G324V216-G221 WeakPolarHBondContact O-CA 3.45Å; F217-G221 PolarHBondContact O-N 3.41Å; F218-G221 WeakPolarHBondContact O-CA 3.06Å; F218-G221 PolarHBondContact O-N 3.17Å; N219-G221 PolarHBondContact O-N 3.08Å; G221-C223 PolarHBondContact O-N 3.43Å; G221-F323 CarbonylContact O-C 3.47Å; G221-F323 VanDerWaalsContact O-C 3.23Å; G221-F323 WeakPolarHBondContact O-CA 3.22Å; G221-G324 PolarHBondContact O-N 2.82Å
222Q98.8Very high98.6Very high4 Ų49.9 Ų9.92%0.0195%0.054CC..  trans-87.357.1-179.3-55.3172.8129.500110.2W90 N91 N219 A220 H271 F323W90-Q222 HydrophobicContact CH2-CB 3.8Å; W90-Q222 HydrophobicContact CH2-CG 3.75Å; W90-Q222 VanDerWaalsContact CH2-OE1 3.32Å; W90-Q222 HydrophobicContact CZ3-CB 3.7Å; W90-Q222 HydrophobicContact CZ3-CG 3.85Å; W90-Q222 VanDerWaalsContact CZ3-OE1 3.29Å; N91-Q222 HydrophobicContact CB-CB 4.29Å; N91-Q222 WeakPolarHBondContact CB-O 3.16Å; N91-Q222 PolarHBondContact ND2-O 3.38Å; N219-Q222 PolarHBondContact ND2-O 2.84Å; N219-Q222 VanDerWaalsContact O-CB 3.28Å; N219-Q222 WeakPolarHBondContact O-CB 3.32Å; N219-Q222 WeakPolarHBondContact O-CG 3.29Å; N219-Q222 PolarHBondContact O-N 2.82Å; N219-Q222 PolarHBondContact O-NE2 3.1Å; A220-Q222 PolarHBondContact O-N 3.09Å; Q222-H271 PolarHBondContact OE1-CD2 2.8Å; Q222-F323 VanDerWaalsContact C-CZ 3.48Å; Q222-F323 HydrophobicContact CB-CD1 3.83Å; Q222-F323 HydrophobicContact CB-CE1 3.76Å; Q222-F323 HydrophobicContact CB-CZ 4.49Å; Q222-F323 HydrophobicContact CG-CD1 4.2Å; Q222-F323 WeakPolarHBondContact CG-O 3.33Å
223C98.4Very high98.6Very high9 Ų911.9 Ų11.96%0.0616%0.063CC..  trans-135.3129.1-177.5-157.70000110.3F92 G221 T225 A226F92-C223 HydrophobicContact CE2-CB 4.24Å; F92-C223 HydrophobicContact CZ-CB 4.42Å; G221-C223 PolarHBondContact O-N 3.43Å; C223-T225 PolarHBondContact O-N 2.84Å; C223-T225 PolarHBondContact SG-OG1 2.98Å; C223-A226 WeakPolarHBondContact O-CB 3.27Å; C223-A226 PolarHBondContact O-N 3.01Å
224C98.1Very high98.6Very high30 Ų3014.7 Ų14.720%0.2038%0.079CC..THydrogen-bonded Turntrans-62.4-26.9178.854.10000111.8N195 A226 L349N195-C224 PolarHBondContact ND2-O 2.92Å; C224-A226 VanDerWaalsContact C-N 3.26Å; C224-A226 PolarHBondContact O-N 2.74Å; C224-L349 HydrophobicContact CB-CD2 3.53Å; C224-L349 WeakPolarHBondContact O-CD2 3.39Å
225T98.6Very high98.6Very high1 Ų116.4 Ų16.41%0.00610%0.097CC..THydrogen-bonded Turntrans-79-1.5175.761.20000114N195 C223 G227 V350 W374 F378 N379 F387N195-T225 PolarHBondContact ND2-O 3.04Å; C223-T225 PolarHBondContact O-N 2.84Å; C223-T225 PolarHBondContact SG-OG1 2.98Å; T225-G227 PolarHBondContact O-N 3.49Å; T225-V350 HydrophobicContact CG2-CG1 3.88Å; T225-V350 HydrophobicContact CG2-CG2 4.34Å; T225-V350 WeakPolarHBondContact O-CG2 3.47Å; T225-W374 HydrophobicContact CG2-CH2 4.13Å; T225-F378 WeakPolarHBondContact O-CE1 3.23Å; T225-F378 WeakPolarHBondContact O-CZ 3.14Å; T225-N379 VanDerWaalsContact CB-OD1 3.32Å; T225-N379 WeakPolarHBondContact CB-OD1 3.31Å; T225-N379 PolarHBondContact OG1-OD1 2.74Å; T225-F387 HydrophobicContact CG2-CE2 3.65Å; T225-F387 HydrophobicContact CG2-CZ 3.59Å
226A98.8Very high98.6Very high11 Ų1117.7 Ų17.79%0.09110%0.103CC..  trans-51.3124.5-172.700000112.3N195 G215 C223 C224 S228N195-A226 WeakPolarHBondContact CB-O 3.42Å; N195-A226 PolarHBondContact ND2-O 2.87Å; G215-A226 VanDerWaalsContact O-CA 3.3Å; G215-A226 WeakPolarHBondContact O-CA 3.22Å; C223-A226 WeakPolarHBondContact O-CB 3.27Å; C223-A226 PolarHBondContact O-N 3.01Å; C224-A226 VanDerWaalsContact C-N 3.26Å; C224-A226 PolarHBondContact O-N 2.74Å; A226-S228 PolarHBondContact O-N 3.41Å; A226-S228 PolarHBondContact O-OG 2.84Å
227G98.4Very high98.6Very high0 Ų017.6 Ų17.60%010%0.102CC..  trans-73.460.4178.200000112.1N195 G215 T225 R229 I230 F378N195-G227 CarbonylContact O-C 3.54Å; G215-G227 PolarHBondContact O-N 3.48Å; T225-G227 PolarHBondContact O-N 3.49Å; G227-R229 VanDerWaalsContact C-N 3.25Å; G227-R229 PolarHBondContact O-N 3.09Å; G227-I230 WeakPolarHBondContact O-CG1 3.38Å; G227-F378 VanDerWaalsContact CA-CZ 3.43Å
228S98.1Very high98.6Very high9 Ų923 Ų236%0.06313%0.131CC..  trans-85.512.6-168.758.10000114.5K194 N195 A226 Q328K194-S228 WeakPolarHBondContact CD-OG 3.25Å; K194-S228 WeakPolarHBondContact CE-O 3.5Å; K194-S228 WeakPolarHBondContact CE-OG 3.42Å; K194-S228 PolarHBondContact NZ-OG 3.15Å; N195-S228 PolarHBondContact O-N 2.78Å; A226-S228 PolarHBondContact O-N 3.41Å; A226-S228 PolarHBondContact O-OG 2.84Å; S228-Q328 PolarHBondContact O-OE1 3.16Å
229R98.9Very high98.6Very high12 Ų1223.7 Ų23.75%0.04514%0.135CC..EExtended strand (participates in β ladder)trans-136.596.8162.9-62.7-173.7-68.8145.1-0.8109K194 N195 P196 N197 G227 F231 A318 M330 R341 A342K194-R229 HydrophobicContact CG-CG 3.96Å; K194-R229 PolarHBondContact O-NE 2.92Å; K194-R229 PolarHBondContact O-NH2 2.96Å; N195-R229 PolarHBondContact O-N 2.93Å; P196-R229 CarbonylContact C-O 3.58Å; P196-R229 WeakPolarHBondContact CA-O 3.36Å; N197-R229 PolarHBondContact N-O 3.35Å; G227-R229 VanDerWaalsContact C-N 3.25Å; G227-R229 PolarHBondContact O-N 3.09Å; R229-F231 HydrophobicContact CB-CD2 4.35Å; R229-F231 HydrophobicContact CB-CE2 3.63Å; R229-F231 HydrophobicContact CB-CZ 4.12Å; R229-A318 VanDerWaalsContact CD-O 3.29Å; R229-A318 WeakPolarHBondContact CD-O 3.29Å; R229-M330 HydrophobicContact CB-CE 3.74Å; R229-M330 HydrophobicContact CB-SD 3.89Å; R229-M330 HydrophobicContact CG-CE 3.64Å; R229-M330 HydrophobicContact CG-SD 4.46Å; R229-R341 PolarHBondContact NH1-O 3.43Å; R229-A342 PolarHBondContact NH2-O 3.44Å
230I98.9Very high98.7Very high0 Ų023 Ų230%013%0.131CC..EExtended strand (participates in β ladder)trans-93.5107.5180-54.3168.7000107.9N197 I199 A212 G227 V232 F240 Q327 Q328 I329 M330N197-I230 HydrophobicContact CB-CG1 4.32Å; N197-I230 CarbonylContact O-C 3.58Å; N197-I230 VanDerWaalsContact O-CA 3.28Å; N197-I230 WeakPolarHBondContact O-CA 3.5Å; I199-I230 HydrophobicContact CG1-CG2 3.93Å; A212-I230 HydrophobicContact CB-CD1 3.96Å; G227-I230 WeakPolarHBondContact O-CG1 3.38Å; I230-V232 HydrophobicContact CG2-CG2 3.78Å; I230-F240 HydrophobicContact CG2-CE1 3.87Å; I230-F240 HydrophobicContact CG2-CZ 3.88Å; I230-Q327 HydrophobicContact CD1-CG 3.51Å; I230-Q328 WeakPolarHBondContact CB-O 3.37Å; I230-Q328 PolarHBondContact N-O 3.13Å; I230-I329 HydrophobicContact CD1-CG1 4.46Å; I230-M330 PolarHBondContact O-N 3.28Å
231F98.9Very high98.7Very high0 Ų023.3 Ų23.30%013%0.132CC..EExtended strand (participates in β ladder)trans-90.9120.2175.1-63-87.6000108.6P196 N197 I198 I199 R229 M330 F332 V338 R341P196-F231 HydrophobicContact CB-CD2 4.06Å; P196-F231 HydrophobicContact CB-CE2 3.78Å; N197-F231 PolarHBondContact O-N 2.95Å; I198-F231 CarbonylContact C-O 3.56Å; I198-F231 WeakPolarHBondContact CA-O 3.48Å; I198-F231 HydrophobicContact CG1-CB 4.43Å; I198-F231 HydrophobicContact CG1-CD2 4.4Å; I199-F231 PolarHBondContact N-O 2.84Å; R229-F231 HydrophobicContact CB-CD2 4.35Å; R229-F231 HydrophobicContact CB-CE2 3.63Å; R229-F231 HydrophobicContact CB-CZ 4.12Å; F231-M330 HydrophobicContact CD1-CB 3.79Å; F231-M330 HydrophobicContact CD1-CG 4.39Å; F231-M330 HydrophobicContact CE1-CB 4.06Å; F231-M330 HydrophobicContact CE1-CG 4.21Å; F231-M330 HydrophobicContact CG-CB 4.49Å; F231-F332 HydrophobicContact CB-CD1 3.73Å; F231-F332 HydrophobicContact CB-CE1 4.19Å; F231-F332 WeakPolarHBondContact O-CE1 3.38Å; F231-V338 HydrophobicContact CB-CG2 3.55Å; F231-V338 HydrophobicContact CD1-CG2 4.11Å; F231-V338 HydrophobicContact CD2-CG2 4.35Å; F231-V338 HydrophobicContact CG-CG2 3.76Å; F231-R341 HydrophobicContact CE1-CB 4.07Å; F231-R341 HydrophobicContact CZ-CB 4.35Å
232V98.9Very high98.7Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-119.1133.3-178.7-172.60000110I199 I230 I236 H237 F240 I329 M330 K331 F332I199-V232 HydrophobicContact CB-CG1 4.44Å; I199-V232 HydrophobicContact CB-CG2 4.29Å; I199-V232 HydrophobicContact CG1-CG2 4.22Å; I230-V232 HydrophobicContact CG2-CG2 3.78Å; V232-I236 HydrophobicContact CG1-CD1 3.87Å; V232-I236 HydrophobicContact CG1-CG1 3.79Å; V232-H237 HydrophobicContact CG1-CB 4.37Å; V232-F240 HydrophobicContact CG1-CB 3.81Å; V232-F240 HydrophobicContact CG1-CD2 4.28Å; V232-F240 HydrophobicContact CG1-CG 3.96Å; V232-F240 HydrophobicContact CG2-CB 4.44Å; V232-F240 HydrophobicContact CG2-CD1 3.61Å; V232-F240 HydrophobicContact CG2-CD2 4.26Å; V232-F240 HydrophobicContact CG2-CE1 3.85Å; V232-F240 HydrophobicContact CG2-CE2 4.48Å; V232-F240 HydrophobicContact CG2-CG 3.84Å; V232-F240 HydrophobicContact CG2-CZ 4.28Å; V232-I329 HydrophobicContact CG2-CG2 3.84Å; V232-M330 PolarHBondContact N-O 2.88Å; V232-K331 WeakPolarHBondContact O-CA 3.21Å; V232-F332 WeakPolarHBondContact O-CD1 3.23Å; V232-F332 PolarHBondContact O-N 2.7Å
233E98.8Very high98.7Very high41 Ų4131 Ų3119%0.19216%0.161CC..EExtended strand (participates in β ladder)trans-63.3137.3-179.7-166172.1177.200110.8I199 F200 A201 S235 I236 H237 F332I199-E233 PolarHBondContact O-N 3.06Å; F200-E233 WeakPolarHBondContact CA-OE2 3.24Å; F200-E233 WeakPolarHBondContact CD1-OE2 3.41Å; A201-E233 HydrophobicContact CB-CB 4.32Å; A201-E233 HydrophobicContact CB-CG 4.31Å; A201-E233 VanDerWaalsContact CB-OE2 3.28Å; A201-E233 WeakPolarHBondContact CB-OE2 3.29Å; A201-E233 PolarHBondContact N-OE2 3.04Å; E233-S235 PolarHBondContact O-N 3.34Å; E233-I236 HydrophobicContact CB-CG1 4.43Å; E233-I236 WeakPolarHBondContact O-CG1 3.28Å; E233-I236 PolarHBondContact O-N 3.08Å; E233-H237 PolarHBondContact O-N 3.26Å; E233-H237 VanDerWaalsContact O-N 3.09Å; E233-F332 WeakPolarHBondContact CA-O 3.47Å; E233-F332 HydrophobicContact CB-CE1 3.97Å; E233-F332 HydrophobicContact CB-CE2 4.18Å; E233-F332 HydrophobicContact CB-CZ 3.71Å; E233-F332 HydrophobicContact CG-CE2 4.24Å; E233-F332 HydrophobicContact CG-CZ 4.26Å
234D98.6Very high98.7Very high60 Ų6030.5 Ų30.532%0.32116%0.158SC..Hα-helixtrans-49.4-40.4-169.1-171.621.7000113.9I236 H237 K331 F332 K333D234-I236 VanDerWaalsContact C-N 3.29Å; D234-I236 PolarHBondContact O-N 3.23Å; D234-H237 PolarHBondContact O-N 3.05Å; D234-K331 HydrophobicContact CB-CD 4.22Å; D234-K331 HydrophobicContact CB-CG 4.09Å; D234-K331 WeakPolarHBondContact OD1-CD 3.48Å; D234-K331 WeakPolarHBondContact OD1-CE 3.37Å; D234-K331 IonicContact OD1-NZ 3.75Å; D234-K331 PolarHBondContact OD1-NZ 3.4Å; D234-F332 PolarHBondContact N-O 3.18Å; D234-K333 HydrophobicContact CB-CG 4.16Å; D234-K333 WeakPolarHBondContact OD2-CE 3.34Å
235S98.7Very high98.8Very high92 Ų9229.7 Ų29.764%0.64315%0.152SC*.Hα-helixtrans-67-22.9-176.658.70000114.9A201 E233A201-S235 VanDerWaalsContact CB-OG 3.26Å; A201-S235 WeakPolarHBondContact CB-OG 3.17Å; E233-S235 PolarHBondContact O-N 3.34Å
236I98.8Very high98.8Very high30 Ų3034.5 Ų34.515%0.15417%0.174CC..Hα-helixtrans-115.6-2178.759.9153.7000113.1I199 F200 A201 L205 V232 E233 D234 D238 E239 F240I199-I236 HydrophobicContact CG2-CD1 4.05Å; F200-I236 WeakPolarHBondContact O-CD1 3.19Å; A201-I236 HydrophobicContact CB-CG1 4.28Å; A201-I236 HydrophobicContact CB-CG2 3.94Å; L205-I236 HydrophobicContact CD1-CD1 4.23Å; V232-I236 HydrophobicContact CG1-CD1 3.87Å; V232-I236 HydrophobicContact CG1-CG1 3.79Å; E233-I236 HydrophobicContact CB-CG1 4.43Å; E233-I236 WeakPolarHBondContact O-CG1 3.28Å; E233-I236 PolarHBondContact O-N 3.08Å; D234-I236 VanDerWaalsContact C-N 3.29Å; D234-I236 PolarHBondContact O-N 3.23Å; I236-D238 PolarHBondContact O-N 3.12Å; I236-E239 PolarHBondContact O-N 2.83Å; I236-F240 WeakPolarHBondContact O-CB 3.38Å; I236-F240 PolarHBondContact O-N 3.48Å
237H98.8Very high98.8Very high2 Ų234.8 Ų34.81%0.00917%0.173CC..Hα-helixtrans-54.4-51.4-172.7173.7-87.4000113.3V232 E233 D234 E239 F240 V241 K331V232-H237 HydrophobicContact CG1-CB 4.37Å; E233-H237 PolarHBondContact O-N 3.26Å; E233-H237 VanDerWaalsContact O-N 3.09Å; D234-H237 PolarHBondContact O-N 3.05Å; H237-E239 VanDerWaalsContact C-N 3.34Å; H237-E239 PolarHBondContact O-N 2.73Å; H237-F240 WeakPolarHBondContact O-CB 3.18Å; H237-F240 PolarHBondContact O-N 3.34Å; H237-V241 WeakPolarHBondContact O-CG2 3.22Å; H237-V241 PolarHBondContact O-N 3.35Å; H237-K331 VanDerWaalsContact ND1-CE 3.3Å; H237-K331 WeakPolarHBondContact ND1-CE 3.34Å
238D98.7Very high98.8Very high113 Ų11334.8 Ų34.860%0.60417%0.173SC*.Hα-helixtrans-68.2-37-172.2-64.9-6.8000111.7I236 R242 K331I236-D238 PolarHBondContact O-N 3.12Å; D238-R242 WeakPolarHBondContact O-CB 3.48Å; D238-R242 PolarHBondContact O-N 2.87Å; D238-K331 IonicContact OD1-NZ 3.67Å
239E98.9Very high98.8Very high63 Ų6341.4 Ų41.429%0.29420%0.201SC..Hα-helixtrans-70.1-39.4175-179.962.3-174.800111.6L205 I236 H237 R242 R243L205-E239 HydrophobicContact CD2-CB 4.45Å; L205-E239 HydrophobicContact CD2-CG 3.7Å; I236-E239 PolarHBondContact O-N 2.83Å; H237-E239 VanDerWaalsContact C-N 3.34Å; H237-E239 PolarHBondContact O-N 2.73Å; E239-R242 PolarHBondContact O-N 3.15Å; E239-R242 IonicContact OE1-CZ 3.87Å; E239-R242 IonicContact OE1-NE 3.55Å; E239-R242 IonicContact OE1-NH2 3.84Å; E239-R242 PolarHBondContact OE1-NH2 3.23Å; E239-R242 IonicContact OE2-CZ 2.82Å; E239-R242 IonicContact OE2-NE 3.62Å; E239-R242 PolarHBondContact OE2-NE 3.13Å; E239-R242 IonicContact OE2-NH2 2.65Å; E239-R242 PolarHBondContact OE2-NH2 2.77Å; E239-R243 WeakPolarHBondContact O-CG 3.09Å; E239-R243 PolarHBondContact O-N 2.7Å; E239-R243 IonicContact OE1-CZ 2.72Å; E239-R243 VanDerWaalsContact OE1-CZ 3.26Å; E239-R243 IonicContact OE1-NE 2.83Å; E239-R243 PolarHBondContact OE1-NE 3.4Å; E239-R243 IonicContact OE1-NH2 3.41Å; E239-R243 PolarHBondContact OE1-NH2 3.45Å
240F98.9Very high98.8Very high0 Ų049 Ų490%023%0.229CC..Hα-helixtrans-60.9-45.7173.8-173.7-79.3000111.5I199 L205 A208 V209 A212 I230 V232 I236 H237 R243 S244 I329I199-F240 HydrophobicContact CB-CE2 4.42Å; I199-F240 HydrophobicContact CG1-CE2 3.9Å; I199-F240 HydrophobicContact CG1-CZ 4.14Å; I199-F240 HydrophobicContact CG2-CD2 4.19Å; I199-F240 HydrophobicContact CG2-CE2 4.04Å; L205-F240 HydrophobicContact CD1-CB 4.14Å; L205-F240 HydrophobicContact CD1-CD2 3.65Å; L205-F240 HydrophobicContact CD1-CG 4.37Å; A208-F240 HydrophobicContact CB-CE2 4.2Å; V209-F240 HydrophobicContact CB-CE2 4.46Å; V209-F240 HydrophobicContact CG2-CD2 3.63Å; V209-F240 HydrophobicContact CG2-CE2 3.7Å; V209-F240 HydrophobicContact CG2-CG 4.15Å; V209-F240 HydrophobicContact CG2-CZ 4.29Å; A212-F240 HydrophobicContact CB-CZ 3.76Å; I230-F240 HydrophobicContact CG2-CE1 3.87Å; I230-F240 HydrophobicContact CG2-CZ 3.88Å; V232-F240 HydrophobicContact CG1-CB 3.81Å; V232-F240 HydrophobicContact CG1-CD2 4.28Å; V232-F240 HydrophobicContact CG1-CG 3.96Å; V232-F240 HydrophobicContact CG2-CB 4.44Å; V232-F240 HydrophobicContact CG2-CD1 3.61Å; V232-F240 HydrophobicContact CG2-CD2 4.26Å; V232-F240 HydrophobicContact CG2-CE1 3.85Å; V232-F240 HydrophobicContact CG2-CE2 4.48Å; V232-F240 HydrophobicContact CG2-CG 3.84Å; V232-F240 HydrophobicContact CG2-CZ 4.28Å; I236-F240 WeakPolarHBondContact O-CB 3.38Å; I236-F240 PolarHBondContact O-N 3.48Å; H237-F240 WeakPolarHBondContact O-CB 3.18Å; H237-F240 PolarHBondContact O-N 3.34Å; F240-R243 PolarHBondContact O-N 3.19Å; F240-S244 WeakPolarHBondContact CD1-OG 3.44Å; F240-S244 WeakPolarHBondContact CE1-OG 3.38Å; F240-S244 VanDerWaalsContact O-CB 3.26Å; F240-S244 WeakPolarHBondContact O-CB 3.34Å; F240-S244 PolarHBondContact O-N 3.15Å; F240-S244 PolarHBondContact O-OG 3.22Å; F240-I329 HydrophobicContact CD1-CD1 4.29Å; F240-I329 HydrophobicContact CD1-CG2 4.31Å; F240-I329 HydrophobicContact CE1-CD1 4.26Å
241V98.9Very high98.8Very high11 Ų1149.6 Ų49.67%0.06723%0.232CC..Hα-helixtrans-59.5-49.4176170.80000109.9H237 R243 S244 V245 E290 I329H237-V241 WeakPolarHBondContact O-CG2 3.22Å; H237-V241 PolarHBondContact O-N 3.35Å; V241-R243 PolarHBondContact O-N 3.45Å; V241-S244 PolarHBondContact O-N 3.47Å; V241-V245 HydrophobicContact CG1-CG2 4.24Å; V241-V245 VanDerWaalsContact O-CG2 3.23Å; V241-V245 WeakPolarHBondContact O-CG2 3.33Å; V241-V245 PolarHBondContact O-N 3.3Å; V241-E290 HydrophobicContact CG1-CG 4.2Å; V241-I329 HydrophobicContact CG2-CB 4.3Å; V241-I329 HydrophobicContact CG2-CD1 4.03Å; V241-I329 HydrophobicContact CG2-CG2 3.79Å
242R98.9Very high98.8Very high100 Ų10052.3 Ų52.338%0.37725%0.248SC..Hα-helixtrans-54.9-51.9179.4-170.6-167.766.973.53.4111.8D238 E239 S244 V245 E246D238-R242 WeakPolarHBondContact O-CB 3.48Å; D238-R242 PolarHBondContact O-N 2.87Å; E239-R242 PolarHBondContact O-N 3.15Å; E239-R242 IonicContact OE1-CZ 3.87Å; E239-R242 IonicContact OE1-NE 3.55Å; E239-R242 IonicContact OE1-NH2 3.84Å; E239-R242 PolarHBondContact OE1-NH2 3.23Å; E239-R242 IonicContact OE2-CZ 2.82Å; E239-R242 IonicContact OE2-NE 3.62Å; E239-R242 PolarHBondContact OE2-NE 3.13Å; E239-R242 IonicContact OE2-NH2 2.65Å; E239-R242 PolarHBondContact OE2-NH2 2.77Å; R242-S244 PolarHBondContact O-N 3.1Å; R242-V245 PolarHBondContact O-N 2.89Å; R242-E246 IonicContact CZ-OE1 3.45Å; R242-E246 IonicContact CZ-OE2 3.62Å; R242-E246 IonicContact NH1-OE1 3.59Å; R242-E246 PolarHBondContact NH1-OE1 3.18Å; R242-E246 IonicContact NH1-OE2 3.61Å; R242-E246 PolarHBondContact NH1-OE2 2.71Å; R242-E246 WeakPolarHBondContact O-CG 3.28Å; R242-E246 PolarHBondContact O-N 3.32Å
243R98.9Very high98.8Very high66 Ų6653.5 Ų53.525%0.24926%0.256CS..Hα-helixtrans-65.5-38.2179.7-66.8-173.4-169.2-163.75.5112.5D206 V209 E239 F240 V241 E246 R247D206-R243 IonicContact OD1-CZ 2.75Å; D206-R243 IonicContact OD1-NH1 3.88Å; D206-R243 PolarHBondContact OD1-NH1 3.35Å; D206-R243 IonicContact OD2-NH1 2.86Å; D206-R243 PolarHBondContact OD2-NH1 2.91Å; V209-R243 HydrophobicContact CB-CB 4.49Å; V209-R243 HydrophobicContact CG1-CB 3.95Å; V209-R243 HydrophobicContact CG2-CB 3.93Å; E239-R243 WeakPolarHBondContact O-CG 3.09Å; E239-R243 PolarHBondContact O-N 2.7Å; E239-R243 IonicContact OE1-CZ 2.72Å; E239-R243 VanDerWaalsContact OE1-CZ 3.26Å; E239-R243 IonicContact OE1-NE 2.83Å; E239-R243 PolarHBondContact OE1-NE 3.4Å; E239-R243 IonicContact OE1-NH2 3.41Å; E239-R243 PolarHBondContact OE1-NH2 3.45Å; F240-R243 PolarHBondContact O-N 3.19Å; V241-R243 PolarHBondContact O-N 3.45Å; R243-E246 PolarHBondContact O-N 2.9Å; R243-R247 WeakPolarHBondContact O-CB 3.49Å; R243-R247 PolarHBondContact O-N 3.36Å
244S98.9Very high98.7Very high0 Ų052.1 Ų52.10%025%0.252CS..Hα-helixtrans-63.8-41.6177.5-62.90000112F240 V241 R242 R247 A248F240-S244 WeakPolarHBondContact CD1-OG 3.44Å; F240-S244 WeakPolarHBondContact CE1-OG 3.38Å; F240-S244 VanDerWaalsContact O-CB 3.26Å; F240-S244 WeakPolarHBondContact O-CB 3.34Å; F240-S244 PolarHBondContact O-N 3.15Å; F240-S244 PolarHBondContact O-OG 3.22Å; V241-S244 PolarHBondContact O-N 3.47Å; R242-S244 PolarHBondContact O-N 3.1Å; S244-R247 PolarHBondContact O-N 3.01Å; S244-A248 WeakPolarHBondContact O-CB 3.16Å; S244-A248 PolarHBondContact O-N 3.25Å
245V98.9Very high98.7Very high13 Ų1352.3 Ų52.38%0.07926%0.258CS..Hα-helixtrans-65.7-44.1176.1172.80000111.2V241 R242 R247 A248 K249 E290 C291 V307V241-V245 HydrophobicContact CG1-CG2 4.24Å; V241-V245 VanDerWaalsContact O-CG2 3.23Å; V241-V245 WeakPolarHBondContact O-CG2 3.33Å; V241-V245 PolarHBondContact O-N 3.3Å; R242-V245 PolarHBondContact O-N 2.89Å; V245-R247 VanDerWaalsContact C-N 3.32Å; V245-R247 PolarHBondContact O-N 2.89Å; V245-A248 PolarHBondContact O-N 2.96Å; V245-K249 HydrophobicContact CG1-CD 4.14Å; V245-K249 WeakPolarHBondContact O-CB 3.46Å; V245-K249 WeakPolarHBondContact O-CG 3.28Å; V245-K249 PolarHBondContact O-N 3.03Å; V245-E290 HydrophobicContact CG1-CB 4.4Å; V245-E290 HydrophobicContact CG2-CB 3.42Å; V245-E290 VanDerWaalsContact CG2-CB 3.42Å; V245-E290 HydrophobicContact CG2-CG 3.93Å; V245-C291 HydrophobicContact CG1-CB 4.21Å; V245-V307 HydrophobicContact CG2-CB 4.3Å; V245-V307 HydrophobicContact CG2-CG1 4Å
246E98.9Very high98.6Very high101 Ų10148.8 Ų48.847%0.47223%0.233SC..Hα-helixtrans-59.8-43.5174.6-75.2173.6-176.600111.6R242 R243 K249 R250R242-E246 IonicContact CZ-OE1 3.45Å; R242-E246 IonicContact CZ-OE2 3.62Å; R242-E246 IonicContact NH1-OE1 3.59Å; R242-E246 PolarHBondContact NH1-OE1 3.18Å; R242-E246 IonicContact NH1-OE2 3.61Å; R242-E246 PolarHBondContact NH1-OE2 2.71Å; R242-E246 WeakPolarHBondContact O-CG 3.28Å; R242-E246 PolarHBondContact O-N 3.32Å; R243-E246 PolarHBondContact O-N 2.9Å; E246-K249 PolarHBondContact O-N 3.03Å; E246-R250 PolarHBondContact O-N 3.24Å
247R98.8Very high98.6Very high17 Ų1751.8 Ų51.86%0.06425%0.245CC..Hα-helixtrans-64.5-40.3177.1177.857.7-177.1101.4-6.2112.7E210 H213 R243 S244 V245 R250 R251 E262E210-R247 IonicContact OE1-CZ 3.69Å; E210-R247 IonicContact OE1-NE 3.26Å; E210-R247 PolarHBondContact OE1-NE 3.4Å; E210-R247 IonicContact OE1-NH2 3.74Å; E210-R247 PolarHBondContact OE1-NH2 3.45Å; E210-R247 WeakPolarHBondContact OE2-CD 3.45Å; E210-R247 IonicContact OE2-CZ 3.26Å; E210-R247 IonicContact OE2-NE 2.88Å; E210-R247 PolarHBondContact OE2-NE 3.1Å; E210-R247 IonicContact OE2-NH2 2.64Å; H213-R247 HydrophobicContact CB-CG 3.93Å; H213-R247 VanDerWaalsContact CG-CG 3.43Å; H213-R247 WeakPolarHBondContact ND1-CG 3.38Å; H213-R247 PolarHBondContact NE2-NH1 3.23Å; R243-R247 WeakPolarHBondContact O-CB 3.49Å; R243-R247 PolarHBondContact O-N 3.36Å; S244-R247 PolarHBondContact O-N 3.01Å; V245-R247 VanDerWaalsContact C-N 3.32Å; V245-R247 PolarHBondContact O-N 2.89Å; R247-R250 VanDerWaalsContact CD-NE 3.29Å; R247-R250 VanDerWaalsContact O-CG 3.29Å; R247-R250 WeakPolarHBondContact O-CG 3.08Å; R247-R251 PolarHBondContact O-N 3.35Å; R247-E262 IonicContact CZ-OE2 3.62Å; R247-E262 IonicContact NH1-OE1 3.62Å; R247-E262 IonicContact NH1-OE2 3.43Å; R247-E262 PolarHBondContact NH1-OE2 2.84Å; R247-E262 VanDerWaalsContact NH1-OE2 3.09Å; R247-E262 IonicContact NH2-OE2 2.9Å; R247-E262 PolarHBondContact NH2-OE2 2.95Å
248A98.9Very high98.6Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-68.2-41.9177.800000112.1F217 S244 V245 R250 R251 P305 V307F217-A248 HydrophobicContact CE2-CB 4.42Å; F217-A248 HydrophobicContact CZ-CB 4.32Å; S244-A248 WeakPolarHBondContact O-CB 3.16Å; S244-A248 PolarHBondContact O-N 3.25Å; V245-A248 PolarHBondContact O-N 2.96Å; A248-R250 VanDerWaalsContact C-N 3.29Å; A248-R250 PolarHBondContact O-N 2.79Å; A248-R251 VanDerWaalsContact O-CB 3.31Å; A248-R251 WeakPolarHBondContact O-CB 3.16Å; A248-R251 PolarHBondContact O-N 3.22Å; A248-R251 VanDerWaalsContact O-N 3.14Å; A248-P305 HydrophobicContact CB-CB 4.29Å; A248-V307 HydrophobicContact CB-CG2 3.56Å
249K98.8Very high98.5Very high148 Ų14854.3 Ų54.364%0.64326%0.264SS*.Hα-helixtrans-63.3-31.6177.8-76.1177.7179.4175.80113.6V245 E246 C291V245-K249 HydrophobicContact CG1-CD 4.14Å; V245-K249 WeakPolarHBondContact O-CB 3.46Å; V245-K249 WeakPolarHBondContact O-CG 3.28Å; V245-K249 PolarHBondContact O-N 3.03Å; E246-K249 PolarHBondContact O-N 3.03Å; K249-C291 HydrophobicContact CD-CB 4.47Å; K249-C291 HydrophobicContact CG-CB 4.01Å
250R98.4Very high98.4Very high171 Ų17155.6 Ų55.665%0.64528%0.276SS*.THydrogen-bonded Turntrans-86.4-2.9176.774.7178.5-171.8-168.9-1.6114.3E246 R247 A248 T252E246-R250 PolarHBondContact O-N 3.24Å; R247-R250 VanDerWaalsContact CD-NE 3.29Å; R247-R250 VanDerWaalsContact O-CG 3.29Å; R247-R250 WeakPolarHBondContact O-CG 3.08Å; A248-R250 VanDerWaalsContact C-N 3.29Å; A248-R250 PolarHBondContact O-N 2.79Å; R250-T252 PolarHBondContact O-N 3.19Å
251R98.6Very high98.4Very high14 Ų1456.1 Ų56.15%0.05328%0.279CS..  trans-70.2121.5-179.4179.5176.5179.768.45.3110.1F217 R247 A248 V253 E262 P305F217-R251 PolarHBondContact O-NH2 2.93Å; F217-R251 VanDerWaalsContact O-NH2 3.09Å; R247-R251 PolarHBondContact O-N 3.35Å; A248-R251 VanDerWaalsContact O-CB 3.31Å; A248-R251 WeakPolarHBondContact O-CB 3.16Å; A248-R251 PolarHBondContact O-N 3.22Å; A248-R251 VanDerWaalsContact O-N 3.14Å; R251-V253 PolarHBondContact O-N 2.82Å; R251-E262 WeakPolarHBondContact CA-OE1 3.27Å; R251-E262 HydrophobicContact CG-CB 4.09Å; R251-E262 IonicContact NH1-OE2 2.73Å; R251-E262 PolarHBondContact NH2-O 3.34Å; R251-P305 HydrophobicContact CB-CG 4.03Å; R251-P305 HydrophobicContact CG-CG 4.19Å
252T98.3Very high98.4Very high56 Ų5658.5 Ų58.534%0.34429%0.29SS..  trans-79.5118.1-175.5-550000111.2R250 T260 E262 Q263R250-T252 PolarHBondContact O-N 3.19Å; T252-T260 WeakPolarHBondContact CB-O 3.43Å; T252-T260 WeakPolarHBondContact CG2-O 3.23Å; T252-E262 PolarHBondContact N-OE1 3.19Å; T252-E262 PolarHBondContact O-N 3.09Å; T252-Q263 PolarHBondContact O-N 2.99Å
253V98.6Very high98.4Very high26 Ų2653.8 Ų53.816%0.15827%0.272CS..BIsolated β-bridgetrans-107.9127.2176.1-172.10000109.4R251 Q263 L296 F302 P305R251-V253 PolarHBondContact O-N 2.82Å; V253-Q263 WeakPolarHBondContact CA-O 3.13Å; V253-Q263 HydrophobicContact CB-CB 4.5Å; V253-Q263 HydrophobicContact CG1-CB 4.44Å; V253-Q263 HydrophobicContact CG1-CG 4.31Å; V253-Q263 HydrophobicContact CG2-CB 4.07Å; V253-Q263 HydrophobicContact CG2-CG 4.31Å; V253-L296 HydrophobicContact CB-CD2 3.85Å; V253-L296 HydrophobicContact CG1-CD2 3.73Å; V253-F302 HydrophobicContact CG1-CB 4.36Å; V253-F302 HydrophobicContact CG1-CD1 3.65Å; V253-F302 HydrophobicContact CG1-CE1 4.42Å; V253-F302 HydrophobicContact CG1-CG 4.41Å; V253-P305 HydrophobicContact CG2-CG 3.78Å
254G97.8Very high98.4Very high11 Ų1150.7 Ų50.711%0.11326%0.261CS..  trans-178-162.3-173.200000115.3Q263 F302G254-Q263 PolarHBondContact N-O 2.63Å; G254-Q263 VanDerWaalsContact N-O 3.08Å; G254-F302 WeakPolarHBondContact O-CE1 3.44Å
255S97.6Very high98.3Very high65 Ų6551.5 Ų51.546%0.45527%0.266SS..  trans-57128177.3178.60000110.2F257 D258 T261S255-F257 PolarHBondContact O-N 2.91Å; S255-D258 WeakPolarHBondContact O-CB 3.25Å; S255-D258 PolarHBondContact O-N 3.09Å; S255-T261 WeakPolarHBondContact O-CB 3.26Å; S255-T261 PolarHBondContact O-OG1 3.47Å
256P97.9Very high98.3Very high18 Ų1851 Ų5112%0.11726%0.263CS..THydrogen-bonded Turntrans-59.3-20.9179.2-25.835.4000114.5S29 G33 K34 P35 F36S29-P256 WeakPolarHBondContact OG-CB 3.29Å; G33-P256 VanDerWaalsContact O-CG 3.25Å; G33-P256 WeakPolarHBondContact O-CG 3.34Å; K34-P256 WeakPolarHBondContact O-CB 3.28Å; P35-P256 CarbonylContact C-O 3.53Å; P35-P256 VanDerWaalsContact CA-O 3.31Å; P35-P256 WeakPolarHBondContact CA-O 3.29Å; F36-P256 PolarHBondContact N-O 3.22Å
257F98.4Very high98.3Very high93 Ų9347.1 Ų47.141%0.40825%0.245SC..THydrogen-bonded Turntrans-91-6.5177.6-68.8-60.6000114.4T26 L30 F36 S255T26-F257 HydrophobicContact CG2-CE1 3.98Å; T26-F257 HydrophobicContact CG2-CZ 4Å; L30-F257 HydrophobicContact CB-CE2 4.36Å; L30-F257 HydrophobicContact CB-CZ 4.08Å; L30-F257 HydrophobicContact CD1-CE2 4.39Å; F36-F257 HydrophobicContact CB-CD1 3.85Å; F36-F257 HydrophobicContact CB-CE1 4.23Å; F36-F257 HydrophobicContact CD2-CD1 4.32Å; F36-F257 HydrophobicContact CD2-CE1 4.12Å; F36-F257 HydrophobicContact CG-CD1 4.25Å; F36-F257 HydrophobicContact CG-CE1 4.47Å; S255-F257 PolarHBondContact O-N 2.91Å
258D98Very high98.3Very high70 Ų7047.4 Ų47.437%0.37425%0.25SC..SBendtrans-76.5123.3172.9-170.7-37.4000109.2S255 T260 T261S255-D258 WeakPolarHBondContact O-CB 3.25Å; S255-D258 PolarHBondContact O-N 3.09Å; D258-T260 PolarHBondContact O-N 3.48Å; D258-T260 VanDerWaalsContact O-N 3.11Å; D258-T260 PolarHBondContact OD1-N 3.36Å; D258-T260 PolarHBondContact OD1-OG1 3.33Å; D258-T260 VanDerWaalsContact OD1-OG1 3.08Å; D258-T261 WeakPolarHBondContact O-CB 3.45Å; D258-T261 PolarHBondContact O-N 3.41Å
259P97.3Very high98.2Very high98 Ų9854.9 Ų54.964%0.63628%0.278SS*.THydrogen-bonded Turntrans-62.4-16.4-178.427.3-36.8000114.1L37L37-P259 HydrophobicContact CD1-CB 3.89Å
260T97.7Very high98.2Very high89 Ų8955.3 Ų55.355%0.54628%0.282SS..THydrogen-bonded Turntrans-87.2-8.6175.773.90000113.2T252 D258 E262T252-T260 WeakPolarHBondContact CB-O 3.43Å; T252-T260 WeakPolarHBondContact CG2-O 3.23Å; D258-T260 PolarHBondContact O-N 3.48Å; D258-T260 VanDerWaalsContact O-N 3.11Å; D258-T260 PolarHBondContact OD1-N 3.36Å; D258-T260 PolarHBondContact OD1-OG1 3.33Å; D258-T260 VanDerWaalsContact OD1-OG1 3.08Å; T260-E262 PolarHBondContact O-N 3.49Å
261T98.2Very high98.2Very high11 Ų1148.2 Ų48.27%0.06726%0.256CS..  trans-76124.3-176.1-69.90000111.5P35 S255 D258 Q263P35-T261 HydrophobicContact CB-CG2 4.46Å; P35-T261 HydrophobicContact CG-CG2 4.12Å; S255-T261 WeakPolarHBondContact O-CB 3.26Å; S255-T261 PolarHBondContact O-OG1 3.47Å; D258-T261 WeakPolarHBondContact O-CB 3.45Å; D258-T261 PolarHBondContact O-N 3.41Å; T261-Q263 WeakPolarHBondContact CG2-O 3.39Å
262E98.5Very high98.2Very high62 Ų6248.3 Ų48.329%0.2926%0.257SS..SBendtrans-93.7-24.5173.1-65.4174.1-94.100112.3R247 R251 T252 T260R247-E262 IonicContact CZ-OE2 3.62Å; R247-E262 IonicContact NH1-OE1 3.62Å; R247-E262 IonicContact NH1-OE2 3.43Å; R247-E262 PolarHBondContact NH1-OE2 2.84Å; R247-E262 VanDerWaalsContact NH1-OE2 3.09Å; R247-E262 IonicContact NH2-OE2 2.9Å; R247-E262 PolarHBondContact NH2-OE2 2.95Å; R251-E262 WeakPolarHBondContact CA-OE1 3.27Å; R251-E262 HydrophobicContact CG-CB 4.09Å; R251-E262 IonicContact NH1-OE2 2.73Å; R251-E262 PolarHBondContact NH2-O 3.34Å; T252-E262 PolarHBondContact N-OE1 3.19Å; T252-E262 PolarHBondContact O-N 3.09Å; T260-E262 PolarHBondContact O-N 3.49Å
263Q98.7Very high98.2Very high1 Ų150 Ų501%0.00526%0.264CS..BIsolated β-bridgetrans-137.4121.3-176.1-178.6166.8-58.900111.8A220 T252 V253 G254 T261 I303A220-Q263 HydrophobicContact CB-CG 3.97Å; T252-Q263 PolarHBondContact O-N 2.99Å; V253-Q263 WeakPolarHBondContact CA-O 3.13Å; V253-Q263 HydrophobicContact CB-CB 4.5Å; V253-Q263 HydrophobicContact CG1-CB 4.44Å; V253-Q263 HydrophobicContact CG1-CG 4.31Å; V253-Q263 HydrophobicContact CG2-CB 4.07Å; V253-Q263 HydrophobicContact CG2-CG 4.31Å; G254-Q263 PolarHBondContact N-O 2.63Å; G254-Q263 VanDerWaalsContact N-O 3.08Å; T261-Q263 WeakPolarHBondContact CG2-O 3.39Å; Q263-I303 PolarHBondContact NE2-O 3.43Å
264G98.4Very high98.2Very high1 Ų154.2 Ų54.21%0.0128%0.278CS..  trans-85.8-168.3168.700000113G33G33-G264 WeakPolarHBondContact O-CA 3.34Å
265P98.6Very high98.3Very high17 Ų1753.7 Ų53.711%0.1127%0.272CS..  trans-75.6168.3177.733.6-35.7000112G33 F301 F302G33-P265 WeakPolarHBondContact O-CD 3.23Å; P265-F301 HydrophobicContact CB-CB 4.16Å; P265-F302 HydrophobicContact CB-CD1 3.87Å; P265-F302 HydrophobicContact CB-CD2 4.23Å; P265-F302 HydrophobicContact CB-CE1 3.78Å; P265-F302 HydrophobicContact CB-CE2 4.15Å; P265-F302 HydrophobicContact CB-CG 4.11Å; P265-F302 HydrophobicContact CB-CZ 3.93Å; P265-F302 VanDerWaalsContact CD-CE1 3.41Å; P265-F302 HydrophobicContact CG-CE1 4.07Å; P265-F302 HydrophobicContact CG-CZ 4.04Å; P265-F302 VanDerWaalsContact N-CE1 3.29Å
266Q98.8Very high98.3Very high2 Ų252.6 Ų52.61%0.00926%0.261CS..  trans-65.4160.5160.4-54.5-37.5125.600110.9A220 S268 Q272 F301 I303A220-Q266 PolarHBondContact O-NE2 2.98Å; A220-Q266 VanDerWaalsContact O-NE2 3.17Å; Q266-S268 VanDerWaalsContact C-N 3.33Å; Q266-S268 PolarHBondContact O-N 3.11Å; Q266-Q272 HydrophobicContact CB-CB 4.49Å; Q266-F301 HydrophobicContact CB-CB 4.16Å; Q266-F301 WeakPolarHBondContact CB-O 3.34Å; Q266-F301 WeakPolarHBondContact CG-O 3.24Å; Q266-F301 PolarHBondContact N-O 3.28Å; Q266-F301 WeakPolarHBondContact O-CB 3.31Å; Q266-F301 WeakPolarHBondContact O-CD2 3.33Å; Q266-I303 HydrophobicContact CG-CD1 3.69Å; Q266-I303 HydrophobicContact CG-CG1 4.08Å
267I98.6Very high98.4Very high19 Ų1956.4 Ų56.410%0.09728%0.277CS..SBendtrans-63.9-33.2-173.8-170.560.1000114.5W90 Q118 T119 H271W90-I267 HydrophobicContact CB-CG1 4.28Å; W90-I267 HydrophobicContact CD2-CB 4.02Å; W90-I267 HydrophobicContact CD2-CG1 3.86Å; W90-I267 HydrophobicContact CD2-CG2 3.77Å; W90-I267 HydrophobicContact CE3-CB 3.51Å; W90-I267 HydrophobicContact CE3-CD1 4.19Å; W90-I267 HydrophobicContact CE3-CG1 3.62Å; W90-I267 HydrophobicContact CE3-CG2 3.66Å; W90-I267 HydrophobicContact CG-CG1 4.14Å; W90-I267 HydrophobicContact CH2-CB 4.09Å; W90-I267 HydrophobicContact CH2-CG2 3.54Å; W90-I267 HydrophobicContact CZ2-CG2 3.65Å; W90-I267 HydrophobicContact CZ3-CB 3.58Å; W90-I267 HydrophobicContact CZ3-CG1 4.23Å; W90-I267 HydrophobicContact CZ3-CG2 3.57Å; Q118-I267 HydrophobicContact CB-CD1 4.18Å; Q118-I267 HydrophobicContact CB-CG1 3.78Å; Q118-I267 HydrophobicContact CG-CG1 4.09Å; T119-I267 HydrophobicContact CG2-CD1 3.62Å; I267-H271 HydrophobicContact CG2-CB 3.88Å
268S98.3Very high98.4Very high24 Ų2452 Ų5217%0.16826%0.258CS..  trans-153165.3-173.578.50000111.7Q266 H271 Q272Q266-S268 VanDerWaalsContact C-N 3.33Å; Q266-S268 PolarHBondContact O-N 3.11Å; S268-H271 PolarHBondContact O-N 2.79Å; S268-H271 PolarHBondContact OG-N 2.84Å; S268-H271 VanDerWaalsContact OG-N 3.13Å; S268-Q272 PolarHBondContact O-N 2.89Å
269R97.6Very high98.4Very high157 Ų15748.8 Ų48.859%0.59224%0.241SC*.Hα-helixtrans-62.4-42174.3-172.3164-62.2-109-9.2112.7H271 Q272 N273 F301R269-H271 VanDerWaalsContact C-N 3.3Å; R269-H271 PolarHBondContact O-N 2.77Å; R269-Q272 PolarHBondContact O-N 3.4Å; R269-N273 VanDerWaalsContact O-CG 3.23Å; R269-N273 PolarHBondContact O-N 2.76Å; R269-F301 HydrophobicContact CB-CD1 4Å; R269-F301 HydrophobicContact CB-CE1 3.59Å; R269-F301 HydrophobicContact CB-CZ 4.22Å; R269-F301 HydrophobicContact CG-CE1 4.39Å
270E98.1Very high98.5Very high157 Ų15749.5 Ų49.573%0.73424%0.236SC*.Hα-helixtrans-58.9-46176.8-177.1-175.6173.200110.5N273 R274E270-N273 PolarHBondContact O-N 3.46Å; E270-R274 PolarHBondContact O-N 2.88Å
271H98.5Very high98.5Very high21 Ų2145.8 Ų45.810%0.09721%0.213CC..Hα-helixtrans-66.3-41178.4-162.656.1000112.2W90 Q222 I267 S268 R269 N273 R274 V275 F323W90-H271 AromaticContact CH2-CD2 3.96Å; W90-H271 AromaticContact CH2-NE2 3.96Å; Q222-H271 PolarHBondContact OE1-CD2 2.8Å; I267-H271 HydrophobicContact CG2-CB 3.88Å; S268-H271 PolarHBondContact O-N 2.79Å; S268-H271 PolarHBondContact OG-N 2.84Å; S268-H271 VanDerWaalsContact OG-N 3.13Å; R269-H271 VanDerWaalsContact C-N 3.3Å; R269-H271 PolarHBondContact O-N 2.77Å; H271-N273 VanDerWaalsContact C-N 3.34Å; H271-N273 PolarHBondContact O-N 3.28Å; H271-R274 PolarHBondContact O-N 2.85Å; H271-V275 WeakPolarHBondContact O-CG2 3.4Å; H271-V275 PolarHBondContact O-N 2.83Å; H271-F323 AromaticContact NE2-CD1 3.96Å; H271-F323 PolarHBondContact NE2-O 3.41Å
272Q98.4Very high98.6Very high16 Ų1645.3 Ų45.38%0.07521%0.21CC..Hα-helixtrans-57.5-46.9174.2-169-172.225.300111.8Q266 S268 R269 R274 V275 L276 F301 F302 I303Q266-Q272 HydrophobicContact CB-CB 4.49Å; S268-Q272 PolarHBondContact O-N 2.89Å; R269-Q272 PolarHBondContact O-N 3.4Å; Q272-R274 VanDerWaalsContact C-N 3.34Å; Q272-R274 PolarHBondContact O-N 3.46Å; Q272-V275 PolarHBondContact O-N 3.07Å; Q272-L276 HydrophobicContact CG-CD1 4.22Å; Q272-L276 WeakPolarHBondContact O-CG 3.45Å; Q272-L276 PolarHBondContact O-N 3.44Å; Q272-F301 HydrophobicContact CB-CB 4.12Å; Q272-F301 HydrophobicContact CG-CB 4.38Å; Q272-F301 VanDerWaalsContact NE2-C 3.3Å; Q272-F302 PolarHBondContact NE2-O 3.37Å; Q272-I303 HydrophobicContact CG-CD1 3.81Å; Q272-I303 HydrophobicContact CG-CG1 3.8Å
273N98.5Very high98.6Very high92 Ų9245.5 Ų45.549%0.49222%0.215SC..Hα-helixtrans-61.3-43.5179.2-70.2-13.4000111.5R269 E270 H271 V275 L276 E277R269-N273 VanDerWaalsContact O-CG 3.23Å; R269-N273 PolarHBondContact O-N 2.76Å; E270-N273 PolarHBondContact O-N 3.46Å; H271-N273 VanDerWaalsContact C-N 3.34Å; H271-N273 PolarHBondContact O-N 3.28Å; N273-V275 PolarHBondContact O-N 3.32Å; N273-L276 PolarHBondContact O-N 3.46Å; N273-E277 PolarHBondContact O-N 3.01Å
274R98.6Very high98.6Very high115 Ų11550.1 Ų50.143%0.43425%0.248SC..Hα-helixtrans-59.1-44.6175.6177.8178.3170.6135.32.5112E270 H271 Q272 E277 F278E270-R274 PolarHBondContact O-N 2.88Å; H271-R274 PolarHBondContact O-N 2.85Å; Q272-R274 VanDerWaalsContact C-N 3.34Å; Q272-R274 PolarHBondContact O-N 3.46Å; R274-E277 WeakPolarHBondContact O-CB 3.45Å; R274-E277 PolarHBondContact O-N 3.41Å; R274-F278 HydrophobicContact CG-CD2 4.14Å; R274-F278 HydrophobicContact CG-CE2 3.85Å; R274-F278 VanDerWaalsContact O-CD2 3.25Å; R274-F278 WeakPolarHBondContact O-CD2 3.25Å; R274-F278 PolarHBondContact O-N 2.93Å; R274-F278 VanDerWaalsContact O-N 3.12Å
275V98.8Very high98.6Very high0 Ų054 Ų540%027%0.266CS..Hα-helixtrans-64.3-42.1177.4175.70000111.3H271 Q272 N273 E277 F278 I279 I303 I322 V326H271-V275 WeakPolarHBondContact O-CG2 3.4Å; H271-V275 PolarHBondContact O-N 2.83Å; Q272-V275 PolarHBondContact O-N 3.07Å; N273-V275 PolarHBondContact O-N 3.32Å; V275-E277 VanDerWaalsContact C-N 3.31Å; V275-E277 PolarHBondContact O-N 3.2Å; V275-F278 PolarHBondContact O-N 3.32Å; V275-I279 HydrophobicContact CG1-CD1 4.2Å; V275-I279 WeakPolarHBondContact O-CG1 3.49Å; V275-I279 PolarHBondContact O-N 3.07Å; V275-I303 HydrophobicContact CB-CD1 3.52Å; V275-I303 HydrophobicContact CG1-CD1 3.43Å; V275-I303 VanDerWaalsContact CG1-CD1 3.43Å; V275-I303 HydrophobicContact CG2-CD1 4.31Å; V275-I322 HydrophobicContact CB-CG2 4.49Å; V275-I322 HydrophobicContact CG1-CG2 4.06Å; V275-I322 HydrophobicContact CG2-CG2 4.3Å; V275-V326 HydrophobicContact CG1-CG2 3.91Å
276L98.8Very high98.6Very high41 Ų4155.9 Ų55.922%0.21529%0.289CS..Hα-helixtrans-63.9-35.6176.6-67.8170.4000112.2Q272 N273 I279 Q280 A295 I303Q272-L276 HydrophobicContact CG-CD1 4.22Å; Q272-L276 WeakPolarHBondContact O-CG 3.45Å; Q272-L276 PolarHBondContact O-N 3.44Å; N273-L276 PolarHBondContact O-N 3.46Å; L276-I279 HydrophobicContact CD2-CD1 4.3Å; L276-I279 PolarHBondContact O-N 3.42Å; L276-Q280 WeakPolarHBondContact O-CG 3.34Å; L276-Q280 PolarHBondContact O-N 3Å; L276-A295 HydrophobicContact CD1-CB 4.3Å; L276-I303 HydrophobicContact CG-CD1 4.35Å
277E98.8Very high98.6Very high99 Ų9956.2 Ų56.246%0.46329%0.291SS..Hα-helixtrans-62-44.3173-171.2-157.7135.200111.6N273 R274 V275 I279 Q280 S281 R316N273-E277 PolarHBondContact O-N 3.01Å; R274-E277 WeakPolarHBondContact O-CB 3.45Å; R274-E277 PolarHBondContact O-N 3.41Å; V275-E277 VanDerWaalsContact C-N 3.31Å; V275-E277 PolarHBondContact O-N 3.2Å; E277-I279 VanDerWaalsContact C-N 3.33Å; E277-I279 PolarHBondContact O-N 3.17Å; E277-Q280 PolarHBondContact O-N 3.13Å; E277-S281 PolarHBondContact O-N 3.5Å; E277-R316 IonicContact OE1-CZ 3.55Å; E277-R316 VanDerWaalsContact OE1-CZ 3.24Å; E277-R316 IonicContact OE1-NH1 2.97Å; E277-R316 PolarHBondContact OE1-NH1 3.5Å; E277-R316 IonicContact OE1-NH2 2.65Å; E277-R316 PolarHBondContact OE1-NH2 2.98Å
278F98.9Very high98.6Very high1 Ų160.2 Ų60.20%0.00431%0.308CS..Hα-helixtrans-61.6-40.6174.5-82.3-64.5000112.7R274 V275 Q280 S281 G282 R316 I317 E320 I322R274-F278 HydrophobicContact CG-CD2 4.14Å; R274-F278 HydrophobicContact CG-CE2 3.85Å; R274-F278 VanDerWaalsContact O-CD2 3.25Å; R274-F278 WeakPolarHBondContact O-CD2 3.25Å; R274-F278 PolarHBondContact O-N 2.93Å; R274-F278 VanDerWaalsContact O-N 3.12Å; V275-F278 PolarHBondContact O-N 3.32Å; F278-Q280 VanDerWaalsContact C-N 3.31Å; F278-Q280 PolarHBondContact O-N 2.65Å; F278-S281 PolarHBondContact O-N 2.81Å; F278-G282 PolarHBondContact O-N 2.96Å; F278-R316 HydrophobicContact CD1-CG 4.38Å; F278-R316 HydrophobicContact CE1-CG 4.03Å; F278-I317 HydrophobicContact CB-CG2 4.47Å; F278-I317 WeakPolarHBondContact O-CG2 3.2Å; F278-E320 HydrophobicContact CE1-CB 3.56Å; F278-E320 HydrophobicContact CE1-CG 4.38Å; F278-E320 WeakPolarHBondContact CE1-OE2 3.44Å; F278-E320 HydrophobicContact CZ-CB 3.81Å; F278-E320 VanDerWaalsContact CZ-OE2 3.28Å; F278-E320 WeakPolarHBondContact CZ-OE2 3.47Å; F278-I322 HydrophobicContact CB-CD1 4.05Å; F278-I322 HydrophobicContact CB-CG1 4.01Å; F278-I322 HydrophobicContact CB-CG2 3.92Å; F278-I322 HydrophobicContact CD1-CG1 4.05Å; F278-I322 HydrophobicContact CD2-CB 4.17Å; F278-I322 HydrophobicContact CD2-CG1 4.1Å; F278-I322 HydrophobicContact CD2-CG2 3.93Å; F278-I322 HydrophobicContact CG-CB 4.32Å; F278-I322 HydrophobicContact CG-CD1 4.35Å; F278-I322 HydrophobicContact CG-CG1 3.8Å; F278-I322 HydrophobicContact CG-CG2 4.12Å
279I98.9Very high98.6Very high2 Ų262.4 Ų62.41%0.0132%0.318CS..Hα-helixtrans-59.5-45.1174.4-68.9167.3000110.3V275 L276 E277 G282 V283 G293 I303 T306 F308 V326V275-I279 HydrophobicContact CG1-CD1 4.2Å; V275-I279 WeakPolarHBondContact O-CG1 3.49Å; V275-I279 PolarHBondContact O-N 3.07Å; L276-I279 HydrophobicContact CD2-CD1 4.3Å; L276-I279 PolarHBondContact O-N 3.42Å; E277-I279 VanDerWaalsContact C-N 3.33Å; E277-I279 PolarHBondContact O-N 3.17Å; I279-G282 PolarHBondContact O-N 2.8Å; I279-V283 PolarHBondContact O-N 3.17Å; I279-V283 VanDerWaalsContact O-N 3.14Å; I279-G293 WeakPolarHBondContact CG2-O 3.48Å; I279-I303 HydrophobicContact CD1-CG2 4.01Å; I279-T306 HydrophobicContact CD1-CG2 4.41Å; I279-T306 HydrophobicContact CG1-CG2 4.29Å; I279-F308 HydrophobicContact CG2-CE2 4.41Å; I279-F308 HydrophobicContact CG2-CZ 4.25Å; I279-F308 WeakPolarHBondContact O-CZ 3.24Å; I279-V326 HydrophobicContact CD1-CG2 3.9Å; I279-V326 HydrophobicContact CG1-CG1 4.42Å; I279-V326 HydrophobicContact CG1-CG2 3.68Å
280Q98.8Very high98.7Very high113 Ų11357 Ų5753%0.52830%0.299SS..Hα-helixtrans-63.7-39.5177.2-69.7-61.6-22.500112.9L276 E277 F278 V283 S284L276-Q280 WeakPolarHBondContact O-CG 3.34Å; L276-Q280 PolarHBondContact O-N 3Å; E277-Q280 PolarHBondContact O-N 3.13Å; F278-Q280 VanDerWaalsContact C-N 3.31Å; F278-Q280 PolarHBondContact O-N 2.65Å; Q280-V283 PolarHBondContact O-N 3.31Å; Q280-S284 WeakPolarHBondContact O-CB 3.35Å; Q280-S284 PolarHBondContact O-N 3.39Å; Q280-S284 PolarHBondContact O-OG 2.82Å
281S98.8Very high98.7Very high11 Ų1150.2 Ų50.28%0.07727%0.269CS..Hα-helixtrans-61.2-44.7173.1148.20000111.5E277 F278 V283 S284 E285 R316E277-S281 PolarHBondContact O-N 3.5Å; F278-S281 PolarHBondContact O-N 2.81Å; S281-V283 VanDerWaalsContact C-N 3.33Å; S281-V283 PolarHBondContact O-N 2.97Å; S281-S284 PolarHBondContact O-N 3.41Å; S281-S284 VanDerWaalsContact O-N 3.1Å; S281-E285 WeakPolarHBondContact O-CB 3.43Å; S281-E285 WeakPolarHBondContact O-CG 3.32Å; S281-E285 PolarHBondContact O-N 3.21Å; S281-E285 PolarHBondContact OG-OE1 2.97Å; S281-R316 WeakPolarHBondContact OG-CB 3.21Å
282G98.8Very high98.7Very high0 Ų050.4 Ų50.40%028%0.276CS..Hα-helixtrans-55.6-45.4175.500000113.2F278 I279 G286 A287F278-G282 PolarHBondContact O-N 2.96Å; I279-G282 PolarHBondContact O-N 2.8Å; G282-G286 PolarHBondContact O-N 2.91Å; G282-A287 VanDerWaalsContact O-CB 3.24Å; G282-A287 WeakPolarHBondContact O-CB 3.03Å; G282-A287 PolarHBondContact O-N 2.76Å
283V98.6Very high98.7Very high66 Ų6650 Ų5040%0.428%0.276SS..Hα-helixtrans-64-45.1175.1175.80000111.5I279 Q280 S281 E285 G286 L289 F308I279-V283 PolarHBondContact O-N 3.17Å; I279-V283 VanDerWaalsContact O-N 3.14Å; Q280-V283 PolarHBondContact O-N 3.31Å; S281-V283 VanDerWaalsContact C-N 3.33Å; S281-V283 PolarHBondContact O-N 2.97Å; V283-E285 VanDerWaalsContact C-N 3.31Å; V283-E285 PolarHBondContact O-N 2.76Å; V283-G286 PolarHBondContact O-N 3.37Å; V283-L289 HydrophobicContact CG2-CB 4.33Å; V283-L289 HydrophobicContact CG2-CD2 4.17Å; V283-F308 HydrophobicContact CG2-CE1 3.9Å; V283-F308 HydrophobicContact CG2-CZ 3.93Å
284S98.6Very high98.7Very high99 Ų9952.4 Ų52.469%0.69228%0.282SS*.Hα-helixtrans-68.3-30.2-175.2-56.90000113Q280 S281 G286Q280-S284 WeakPolarHBondContact O-CB 3.35Å; Q280-S284 PolarHBondContact O-N 3.39Å; Q280-S284 PolarHBondContact O-OG 2.82Å; S281-S284 PolarHBondContact O-N 3.41Å; S281-S284 VanDerWaalsContact O-N 3.1Å; S284-G286 VanDerWaalsContact C-N 3.31Å
285E98.7Very high98.6Very high82 Ų8249 Ų4938%0.38328%0.279SS..THydrogen-bonded Turntrans-86.9-0.2178.3-67.8165-156.300113S281 V283 M315 R316S281-E285 WeakPolarHBondContact O-CB 3.43Å; S281-E285 WeakPolarHBondContact O-CG 3.32Å; S281-E285 PolarHBondContact O-N 3.21Å; S281-E285 PolarHBondContact OG-OE1 2.97Å; V283-E285 VanDerWaalsContact C-N 3.31Å; V283-E285 PolarHBondContact O-N 2.76Å; E285-M315 HydrophobicContact CB-CG 4.16Å; E285-M315 WeakPolarHBondContact O-CE 3.33Å; E285-M315 WeakPolarHBondContact OE2-CA 3.22Å; E285-M315 WeakPolarHBondContact OE2-CB 3.43Å; E285-R316 WeakPolarHBondContact OE1-CB 3.42Å; E285-R316 PolarHBondContact OE2-N 3.39Å
286G98.4Very high98.3Very high57 Ų5751.7 Ų51.759%0.58829%0.293SS*.THydrogen-bonded Turntrans93.610.4171.200000115.5G282 V283 S284G282-G286 PolarHBondContact O-N 2.91Å; V283-G286 PolarHBondContact O-N 3.37Å; S284-G286 VanDerWaalsContact C-N 3.31Å
287A98.7Very high97.5Very high8 Ų853.4 Ų53.47%0.06632%0.321CS..  trans-64.3144.716900000110.3G282 L289 F308 V311 M315 I317G282-A287 VanDerWaalsContact O-CB 3.24Å; G282-A287 WeakPolarHBondContact O-CB 3.03Å; G282-A287 PolarHBondContact O-N 2.76Å; A287-L289 PolarHBondContact O-N 2.9Å; A287-F308 HydrophobicContact CB-CB 4.25Å; A287-F308 HydrophobicContact CB-CD1 3.5Å; A287-F308 HydrophobicContact CB-CE1 4.11Å; A287-F308 HydrophobicContact CB-CG 4.11Å; A287-V311 HydrophobicContact CB-CG2 4.21Å; A287-M315 HydrophobicContact CB-CE 4.1Å; A287-M315 HydrophobicContact CB-SD 3.74Å; A287-I317 HydrophobicContact CB-CD1 3.86Å
288K98.8Very high96.8Very high103 Ų10353 Ų5345%0.44832%0.321SS..EExtended strand (participates in β ladder)trans-84109.9179.8-177.1178.8173.3-137.50110E290 F308 S309K288-E290 WeakPolarHBondContact CD-OE1 3.25Å; K288-E290 WeakPolarHBondContact CE-OE1 3.49Å; K288-E290 VanDerWaalsContact CE-OE2 3.32Å; K288-E290 WeakPolarHBondContact CE-OE2 3.24Å; K288-E290 IonicContact NZ-OE1 2.73Å; K288-E290 PolarHBondContact NZ-OE1 3.37Å; K288-E290 IonicContact NZ-OE2 3.68Å; K288-E290 PolarHBondContact NZ-OE2 3.5Å; K288-E290 PolarHBondContact O-N 2.92Å; K288-F308 VanDerWaalsContact O-CA 3.31Å; K288-F308 WeakPolarHBondContact O-CA 3.45Å; K288-S309 PolarHBondContact N-O 2.92Å; K288-S309 PolarHBondContact O-N 3.06Å
289L98.9Very high96.5Very high71 Ų7163.2 Ų63.237%0.37237%0.366SS..EExtended strand (participates in β ladder)trans-72.5106.4173-179.763.1000110.2V283 A287 C291 T306 F308V283-L289 HydrophobicContact CG2-CB 4.33Å; V283-L289 HydrophobicContact CG2-CD2 4.17Å; A287-L289 PolarHBondContact O-N 2.9Å; L289-C291 WeakPolarHBondContact CD1-O 3.23Å; L289-T306 HydrophobicContact CD1-CG2 3.62Å; L289-F308 HydrophobicContact CB-CD1 4.17Å; L289-F308 HydrophobicContact CB-CE1 3.71Å; L289-F308 HydrophobicContact CB-CZ 4.4Å; L289-F308 HydrophobicContact CD1-CD1 4.41Å; L289-F308 HydrophobicContact CD1-CE1 3.93Å; L289-F308 HydrophobicContact CD1-CE2 4.27Å; L289-F308 HydrophobicContact CD1-CZ 3.84Å; L289-F308 HydrophobicContact CG-CE1 4.39Å
290E98.9Very high96.3Very high44 Ų4464.5 Ų64.521%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-86.4-35.8-176.8-61.7-71.1-172.800112.8V241 V245 K288 V307 S309V241-E290 HydrophobicContact CG1-CG 4.2Å; V245-E290 HydrophobicContact CG1-CB 4.4Å; V245-E290 HydrophobicContact CG2-CB 3.42Å; V245-E290 VanDerWaalsContact CG2-CB 3.42Å; V245-E290 HydrophobicContact CG2-CG 3.93Å; K288-E290 WeakPolarHBondContact CD-OE1 3.25Å; K288-E290 WeakPolarHBondContact CE-OE1 3.49Å; K288-E290 VanDerWaalsContact CE-OE2 3.32Å; K288-E290 WeakPolarHBondContact CE-OE2 3.24Å; K288-E290 IonicContact NZ-OE1 2.73Å; K288-E290 PolarHBondContact NZ-OE1 3.37Å; K288-E290 IonicContact NZ-OE2 3.68Å; K288-E290 PolarHBondContact NZ-OE2 3.5Å; K288-E290 PolarHBondContact O-N 2.92Å; E290-V307 HydrophobicContact CB-CB 4.37Å; E290-V307 HydrophobicContact CB-CG1 4.42Å; E290-V307 PolarHBondContact N-O 3.41Å; E290-S309 WeakPolarHBondContact OE1-CB 3.49Å; E290-S309 PolarHBondContact OE1-OG 3.25Å
291C98.8Very high96.3Very high14 Ų1461.7 Ų61.710%0.09537%0.365CS..EExtended strand (participates in β ladder)trans-159.7164174.169.30000112.4V245 K249 L289 T306 V307V245-C291 HydrophobicContact CG1-CB 4.21Å; K249-C291 HydrophobicContact CD-CB 4.47Å; K249-C291 HydrophobicContact CG-CB 4.01Å; L289-C291 WeakPolarHBondContact CD1-O 3.23Å; C291-T306 WeakPolarHBondContact O-CA 3.46Å; C291-V307 PolarHBondContact O-N 3Å
292G98.7Very high96.3Very high25 Ų2561.9 Ų61.926%0.25837%0.365SS..  trans72.4-139178.600000112.6E304G292-E304 VanDerWaalsContact CA-OE2 3.3Å; G292-E304 WeakPolarHBondContact CA-OE2 2.79Å
293G98.2Very high96.3Very high7 Ų761.9 Ų61.97%0.07237%0.365CS..  trans96.36174.800000115.2I279 T306I279-G293 WeakPolarHBondContact CG2-O 3.48Å; G293-T306 WeakPolarHBondContact CA-OG1 3.44Å; G293-T306 PolarHBondContact N-OG1 3.46Å
294K98.3Very high96.3Very high142 Ų14261.4 Ų61.462%0.61736%0.358SS*.SBendtrans-134.2165.5-177.7-56.9176.3-173.5172.60112.5E304K294-E304 WeakPolarHBondContact CB-OE2 3.35Å; K294-E304 PolarHBondContact N-OE2 2.67Å; K294-E304 PolarHBondContact O-N 2.97Å
295A97.4Very high96.3Very high43 Ų4357.4 Ų57.436%0.35533%0.33SS..BIsolated β-bridgetrans-70.4142.5163.300000109.7L276 G297 F302L276-A295 HydrophobicContact CD1-CB 4.3Å; A295-G297 PolarHBondContact O-N 2.93Å; A295-G297 VanDerWaalsContact O-N 3.1Å; A295-F302 WeakPolarHBondContact CA-O 3.49Å
296L91.9Very high96.3Very high58 Ų5853.5 Ų53.530%0.30431%0.311SS..  trans-73.8-0.6-174.9-154.869.6000113.9V253 L298 F302 E304V253-L296 HydrophobicContact CB-CD2 3.85Å; V253-L296 HydrophobicContact CG1-CD2 3.73Å; L296-L298 HydrophobicContact CB-CG 4.46Å; L296-L298 HydrophobicContact CD2-CD1 3.69Å; L296-L298 HydrophobicContact CD2-CG 4.16Å; L296-L298 HydrophobicContact CG-CD1 4.39Å; L296-L298 HydrophobicContact CG-CG 4.33Å; L296-L298 PolarHBondContact O-N 2.95Å; L296-L298 VanDerWaalsContact O-N 3.08Å; L296-F302 HydrophobicContact CB-CB 3.77Å; L296-F302 HydrophobicContact CD2-CB 4.35Å; L296-F302 PolarHBondContact N-O 3.43Å; L296-E304 HydrophobicContact CD1-CG 3.61Å
297G81.6Confident96.3Very high77 Ų7750.8 Ų50.879%0.79428%0.284SS*.  trans69.12.4179.700000115.7A295A295-G297 PolarHBondContact O-N 2.93Å; A295-G297 VanDerWaalsContact O-N 3.1Å
298L83.9Confident96.3Very high91 Ų9150.4 Ų50.448%0.47628%0.28SS..SBendtrans-78.7157.7175.2-59-176.7000111.9L296 G300 F302L296-L298 HydrophobicContact CB-CG 4.46Å; L296-L298 HydrophobicContact CD2-CD1 3.69Å; L296-L298 HydrophobicContact CD2-CG 4.16Å; L296-L298 HydrophobicContact CG-CD1 4.39Å; L296-L298 HydrophobicContact CG-CG 4.33Å; L296-L298 PolarHBondContact O-N 2.95Å; L296-L298 VanDerWaalsContact O-N 3.08Å; L298-G300 PolarHBondContact O-N 3.24Å; L298-G300 VanDerWaalsContact O-N 3.13Å; L298-F302 HydrophobicContact CB-CD2 3.84Å; L298-F302 HydrophobicContact CB-CE2 4.31Å; L298-F302 HydrophobicContact CD1-CD2 4.41Å
299K92.4Very high96.3Very high215 Ų21545.6 Ų45.694%0.93526%0.26SS*.SBendtrans-64.4113.6169.8-174.1-176.6179.3-177.20109.4
300G95.3Very high96.3Very high28 Ų2846.5 Ų46.529%0.28927%0.265SS..SBendtrans133.2-164.8-174.600000110.4L298L298-G300 PolarHBondContact O-N 3.24Å; L298-G300 VanDerWaalsContact O-N 3.13Å
301F98Very high96.3Very high55 Ų5544.6 Ų44.624%0.24126%0.256CS..SBendtrans-112.844.6-174.1-46.9-53.7000111.8P265 Q266 R269 Q272P265-F301 HydrophobicContact CB-CB 4.16Å; Q266-F301 HydrophobicContact CB-CB 4.16Å; Q266-F301 WeakPolarHBondContact CB-O 3.34Å; Q266-F301 WeakPolarHBondContact CG-O 3.24Å; Q266-F301 PolarHBondContact N-O 3.28Å; Q266-F301 WeakPolarHBondContact O-CB 3.31Å; Q266-F301 WeakPolarHBondContact O-CD2 3.33Å; R269-F301 HydrophobicContact CB-CD1 4Å; R269-F301 HydrophobicContact CB-CE1 3.59Å; R269-F301 HydrophobicContact CB-CZ 4.22Å; R269-F301 HydrophobicContact CG-CE1 4.39Å; Q272-F301 HydrophobicContact CB-CB 4.12Å; Q272-F301 HydrophobicContact CG-CB 4.38Å; Q272-F301 VanDerWaalsContact NE2-C 3.3Å
302F98.6Very high96.3Very high15 Ų1546.9 Ų46.97%0.06627%0.27CS..  trans-79.4139.9-175.4-63.1-82.1000112.3V253 G254 P265 Q272 A295 L296 L298V253-F302 HydrophobicContact CG1-CB 4.36Å; V253-F302 HydrophobicContact CG1-CD1 3.65Å; V253-F302 HydrophobicContact CG1-CE1 4.42Å; V253-F302 HydrophobicContact CG1-CG 4.41Å; G254-F302 WeakPolarHBondContact O-CE1 3.44Å; P265-F302 HydrophobicContact CB-CD1 3.87Å; P265-F302 HydrophobicContact CB-CD2 4.23Å; P265-F302 HydrophobicContact CB-CE1 3.78Å; P265-F302 HydrophobicContact CB-CE2 4.15Å; P265-F302 HydrophobicContact CB-CG 4.11Å; P265-F302 HydrophobicContact CB-CZ 3.93Å; P265-F302 VanDerWaalsContact CD-CE1 3.41Å; P265-F302 HydrophobicContact CG-CE1 4.07Å; P265-F302 HydrophobicContact CG-CZ 4.04Å; P265-F302 VanDerWaalsContact N-CE1 3.29Å; Q272-F302 PolarHBondContact NE2-O 3.37Å; A295-F302 WeakPolarHBondContact CA-O 3.49Å; L296-F302 HydrophobicContact CB-CB 3.77Å; L296-F302 HydrophobicContact CD2-CB 4.35Å; L296-F302 PolarHBondContact N-O 3.43Å; L298-F302 HydrophobicContact CB-CD2 3.84Å; L298-F302 HydrophobicContact CB-CE2 4.31Å; L298-F302 HydrophobicContact CD1-CD2 4.41Å
303I98.7Very high96.3Very high0 Ų047.9 Ų47.90%027%0.269CS..BIsolated β-bridgetrans-127.4140.2174.6-59.6-179.5000108.4Q263 Q266 Q272 V275 L276 I279 P325Q263-I303 PolarHBondContact NE2-O 3.43Å; Q266-I303 HydrophobicContact CG-CD1 3.69Å; Q266-I303 HydrophobicContact CG-CG1 4.08Å; Q272-I303 HydrophobicContact CG-CD1 3.81Å; Q272-I303 HydrophobicContact CG-CG1 3.8Å; V275-I303 HydrophobicContact CB-CD1 3.52Å; V275-I303 HydrophobicContact CG1-CD1 3.43Å; V275-I303 VanDerWaalsContact CG1-CD1 3.43Å; V275-I303 HydrophobicContact CG2-CD1 4.31Å; L276-I303 HydrophobicContact CG-CD1 4.35Å; I279-I303 HydrophobicContact CD1-CG2 4.01Å; I303-P325 HydrophobicContact CB-CG 3.92Å; I303-P325 HydrophobicContact CG2-CG 3.96Å
304E98.8Very high96.3Very high55 Ų5552.7 Ų52.726%0.25729%0.293SS..  trans-62.9140.5174.6-68.5174.2154.600111.2G292 K294 L296 T306G292-E304 VanDerWaalsContact CA-OE2 3.3Å; G292-E304 WeakPolarHBondContact CA-OE2 2.79Å; K294-E304 WeakPolarHBondContact CB-OE2 3.35Å; K294-E304 PolarHBondContact N-OE2 2.67Å; K294-E304 PolarHBondContact O-N 2.97Å; L296-E304 HydrophobicContact CD1-CG 3.61Å; E304-T306 PolarHBondContact O-N 2.81Å; E304-T306 PolarHBondContact O-OG1 2.73Å
305P98.8Very high96.3Very high16 Ų1646.4 Ų46.410%0.10427%0.266CS..  trans-58.3113.4170.5-20.634.1000109.5F217 A248 R251 V253F217-P305 HydrophobicContact CD1-CB 4.25Å; F217-P305 HydrophobicContact CE1-CB 3.73Å; F217-P305 HydrophobicContact CZ-CB 4.22Å; A248-P305 HydrophobicContact CB-CB 4.29Å; R251-P305 HydrophobicContact CB-CG 4.03Å; R251-P305 HydrophobicContact CG-CG 4.19Å; V253-P305 HydrophobicContact CG2-CG 3.78Å
306T98.9Very high96.4Very high0 Ų047.4 Ų47.40%026%0.261CS..EExtended strand (participates in β ladder)trans-108.8132.7-169-58.90000110.1I279 L289 C291 G293 E304 F308 P325 V326 Q327I279-T306 HydrophobicContact CD1-CG2 4.41Å; I279-T306 HydrophobicContact CG1-CG2 4.29Å; L289-T306 HydrophobicContact CD1-CG2 3.62Å; C291-T306 WeakPolarHBondContact O-CA 3.46Å; G293-T306 WeakPolarHBondContact CA-OG1 3.44Å; G293-T306 PolarHBondContact N-OG1 3.46Å; E304-T306 PolarHBondContact O-N 2.81Å; E304-T306 PolarHBondContact O-OG1 2.73Å; T306-F308 HydrophobicContact CG2-CD2 4.19Å; T306-F308 HydrophobicContact CG2-CE2 3.86Å; T306-P325 PolarHBondContact N-O 2.84Å; T306-V326 HydrophobicContact CG2-CG1 4.19Å; T306-V326 CarbonylContact O-C 3.56Å; T306-V326 WeakPolarHBondContact O-CA 3.45Å; T306-Q327 PolarHBondContact O-N 3.03Å
307V98.9Very high96.7Very high0 Ų044.6 Ų44.60%025%0.246CC..EExtended strand (participates in β ladder)trans-124.9125.8177.7-177.90000109.3F217 V245 A248 E290 C291 Q327 I329F217-V307 HydrophobicContact CZ-CG2 4.21Å; V245-V307 HydrophobicContact CG2-CB 4.3Å; V245-V307 HydrophobicContact CG2-CG1 4Å; A248-V307 HydrophobicContact CB-CG2 3.56Å; E290-V307 HydrophobicContact CB-CB 4.37Å; E290-V307 HydrophobicContact CB-CG1 4.42Å; E290-V307 PolarHBondContact N-O 3.41Å; C291-V307 PolarHBondContact O-N 3Å; V307-Q327 HydrophobicContact CG2-CB 4.21Å; V307-I329 HydrophobicContact CG1-CD1 3.84Å; V307-I329 HydrophobicContact CG1-CG1 4.48Å
308F98.9Very high97.5Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-108.3130.6167.9-76-77.8000110.2I279 V283 A287 K288 L289 T306 V311 I317 V326 Q327 I329I279-F308 HydrophobicContact CG2-CE2 4.41Å; I279-F308 HydrophobicContact CG2-CZ 4.25Å; I279-F308 WeakPolarHBondContact O-CZ 3.24Å; V283-F308 HydrophobicContact CG2-CE1 3.9Å; V283-F308 HydrophobicContact CG2-CZ 3.93Å; A287-F308 HydrophobicContact CB-CB 4.25Å; A287-F308 HydrophobicContact CB-CD1 3.5Å; A287-F308 HydrophobicContact CB-CE1 4.11Å; A287-F308 HydrophobicContact CB-CG 4.11Å; K288-F308 VanDerWaalsContact O-CA 3.31Å; K288-F308 WeakPolarHBondContact O-CA 3.45Å; L289-F308 HydrophobicContact CB-CD1 4.17Å; L289-F308 HydrophobicContact CB-CE1 3.71Å; L289-F308 HydrophobicContact CB-CZ 4.4Å; L289-F308 HydrophobicContact CD1-CD1 4.41Å; L289-F308 HydrophobicContact CD1-CE1 3.93Å; L289-F308 HydrophobicContact CD1-CE2 4.27Å; L289-F308 HydrophobicContact CD1-CZ 3.84Å; L289-F308 HydrophobicContact CG-CE1 4.39Å; T306-F308 HydrophobicContact CG2-CD2 4.19Å; T306-F308 HydrophobicContact CG2-CE2 3.86Å; F308-V311 HydrophobicContact CB-CG2 3.69Å; F308-I317 HydrophobicContact CB-CD1 4.14Å; F308-I317 HydrophobicContact CD1-CD1 4.47Å; F308-I317 HydrophobicContact CD2-CD1 3.96Å; F308-I317 HydrophobicContact CE2-CD1 4.48Å; F308-I317 HydrophobicContact CG-CD1 3.95Å; F308-V326 HydrophobicContact CD2-CG1 3.81Å; F308-V326 HydrophobicContact CE2-CG1 3.98Å; F308-Q327 PolarHBondContact N-O 3.24Å; F308-I329 PolarHBondContact O-N 2.77Å
309S98.9Very high98.2Very high2 Ų243.7 Ų43.71%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-108.5171.9166.475.50000110.4K288 E290 V311K288-S309 PolarHBondContact N-O 2.92Å; K288-S309 PolarHBondContact O-N 3.06Å; E290-S309 WeakPolarHBondContact OE1-CB 3.49Å; E290-S309 PolarHBondContact OE1-OG 3.25Å; S309-V311 PolarHBondContact O-N 2.73Å
310N97.9Very high98.5Very high89 Ų8937.3 Ų37.348%0.47619%0.187SC..SBendtrans54.835.8-177-61.5-22.5000112.7I329N310-I329 PolarHBondContact N-O 2.81Å
311V98.9Very high98.6Very high5 Ų537.4 Ų37.43%0.0318%0.18CC..  trans-76.7135.1176.5-176.70000109.3A287 F308 S309 M315 I317 A318 Q328 I329 M330A287-V311 HydrophobicContact CB-CG2 4.21Å; F308-V311 HydrophobicContact CB-CG2 3.69Å; S309-V311 PolarHBondContact O-N 2.73Å; V311-M315 HydrophobicContact CB-SD 4.29Å; V311-M315 HydrophobicContact CG1-CB 4.44Å; V311-M315 HydrophobicContact CG1-SD 3.8Å; V311-I317 HydrophobicContact CG1-CD1 4.13Å; V311-I317 HydrophobicContact CG1-CG1 4.17Å; V311-I317 HydrophobicContact CG2-CD1 3.99Å; V311-A318 HydrophobicContact CG1-CB 3.84Å; V311-Q328 HydrophobicContact CB-CB 4.43Å; V311-Q328 HydrophobicContact CG1-CB 4.34Å; V311-Q328 HydrophobicContact CG2-CB 4.04Å; V311-Q328 HydrophobicContact CG2-CG 4.41Å; V311-I329 PolarHBondContact N-O 3.01Å; V311-M330 HydrophobicContact CB-CE 4.07Å; V311-M330 HydrophobicContact CB-CG 4.13Å; V311-M330 HydrophobicContact CG1-CE 3.68Å; V311-M330 HydrophobicContact CG1-CG 4.5Å; V311-M330 WeakPolarHBondContact O-CG 3.43Å
312T98.8Very high98.7Very high61 Ų6135 Ų3537%0.37417%0.169SC..  trans-108.5158.1175.259.70000111.4D314 M315 A318T312-D314 VanDerWaalsContact CB-OD1 3.23Å; T312-D314 WeakPolarHBondContact CB-OD1 3.35Å; T312-D314 PolarHBondContact O-N 3.41Å; T312-D314 PolarHBondContact OG1-OD1 3.05Å; T312-M315 HydrophobicContact CG2-CE 4.47Å; T312-M315 PolarHBondContact N-SD 3.31Å; T312-M315 VanDerWaalsContact N-SD 3.44Å; T312-M315 WeakPolarHBondContact O-CB 3.5Å; T312-M315 PolarHBondContact O-N 2.95Å; T312-M315 WeakPolarHBondContact OG1-CE 3.43Å; T312-M315 WeakPolarHBondContact OG1-CG 3.2Å; T312-A318 VanDerWaalsContact O-CB 3.25Å; T312-A318 WeakPolarHBondContact O-CB 3.43Å
313D98.7Very high98.7Very high46 Ų4635.8 Ų35.825%0.24617%0.173CC..THydrogen-bonded Turntrans-69.6-16-169.7-57.6-15.7000113.6R319 R341D313-R319 WeakPolarHBondContact O-CG 3.3Å; D313-R319 PolarHBondContact O-NE 3.02Å; D313-R341 IonicContact OD1-CZ 2.8Å; D313-R341 IonicContact OD1-NE 2.67Å; D313-R341 PolarHBondContact OD1-NE 3.3Å; D313-R341 IonicContact OD1-NH2 2.76Å; D313-R341 PolarHBondContact OD1-NH2 3.49Å; D313-R341 WeakPolarHBondContact OD2-CG 3.42Å; D313-R341 IonicContact OD2-CZ 2.73Å; D313-R341 IonicContact OD2-NE 3.37Å; D313-R341 PolarHBondContact OD2-NE 3.3Å; D313-R341 IonicContact OD2-NH2 3.38Å
314D98.3Very high98.7Very high109 Ų10936 Ų3658%0.58318%0.175SC*.THydrogen-bonded Turntrans-84-18.9176.963.9-59.2000114T312T312-D314 VanDerWaalsContact CB-OD1 3.23Å; T312-D314 WeakPolarHBondContact CB-OD1 3.35Å; T312-D314 PolarHBondContact O-N 3.41Å; T312-D314 PolarHBondContact OG1-OD1 3.05Å
315M98.8Very high98.7Very high10 Ų1033.4 Ų33.45%0.04916%0.163CC..SBendtrans-64142.4178.7-65.9175.6178.200111.4E285 A287 V311 T312 I317 A318 R319E285-M315 HydrophobicContact CB-CG 4.16Å; E285-M315 WeakPolarHBondContact O-CE 3.33Å; E285-M315 WeakPolarHBondContact OE2-CA 3.22Å; E285-M315 WeakPolarHBondContact OE2-CB 3.43Å; A287-M315 HydrophobicContact CB-CE 4.1Å; A287-M315 HydrophobicContact CB-SD 3.74Å; V311-M315 HydrophobicContact CB-SD 4.29Å; V311-M315 HydrophobicContact CG1-CB 4.44Å; V311-M315 HydrophobicContact CG1-SD 3.8Å; T312-M315 HydrophobicContact CG2-CE 4.47Å; T312-M315 PolarHBondContact N-SD 3.31Å; T312-M315 VanDerWaalsContact N-SD 3.44Å; T312-M315 WeakPolarHBondContact O-CB 3.5Å; T312-M315 PolarHBondContact O-N 2.95Å; T312-M315 WeakPolarHBondContact OG1-CE 3.43Å; T312-M315 WeakPolarHBondContact OG1-CG 3.2Å; M315-I317 VanDerWaalsContact C-N 3.27Å; M315-I317 HydrophobicContact CB-CG1 4.01Å; M315-I317 PolarHBondContact O-N 3.47Å; M315-A318 HydrophobicContact CB-CB 4.34Å; M315-A318 WeakPolarHBondContact O-CA 3.45Å; M315-A318 WeakPolarHBondContact O-CB 3.36Å; M315-A318 PolarHBondContact O-N 3.33Å; M315-R319 PolarHBondContact O-N 2.83Å
316R98.7Very high98.7Very high63 Ų6332.7 Ų32.724%0.23816%0.158CC..Hα-helixtrans-58.8-40.8177-171.3-179166.5-155-4.4111.4E277 F278 S281 E285 A318 R319 E320E277-R316 IonicContact OE1-CZ 3.55Å; E277-R316 VanDerWaalsContact OE1-CZ 3.24Å; E277-R316 IonicContact OE1-NH1 2.97Å; E277-R316 PolarHBondContact OE1-NH1 3.5Å; E277-R316 IonicContact OE1-NH2 2.65Å; E277-R316 PolarHBondContact OE1-NH2 2.98Å; F278-R316 HydrophobicContact CD1-CG 4.38Å; F278-R316 HydrophobicContact CE1-CG 4.03Å; S281-R316 WeakPolarHBondContact OG-CB 3.21Å; E285-R316 WeakPolarHBondContact OE1-CB 3.42Å; E285-R316 PolarHBondContact OE2-N 3.39Å; R316-A318 PolarHBondContact O-N 3.04Å; R316-R319 PolarHBondContact O-N 3.37Å; R316-E320 HydrophobicContact CG-CB 4.42Å; R316-E320 VanDerWaalsContact CG-CD 3.48Å; R316-E320 HydrophobicContact CG-CG 4.11Å; R316-E320 VanDerWaalsContact CG-OE1 3.28Å; R316-E320 WeakPolarHBondContact CG-OE1 3.26Å; R316-E320 IonicContact CZ-OE2 3.81Å; R316-E320 IonicContact NE-OE1 3.25Å; R316-E320 PolarHBondContact NE-OE1 2.8Å; R316-E320 IonicContact NE-OE2 3.5Å; R316-E320 PolarHBondContact NE-OE2 3.23Å; R316-E320 IonicContact NH2-OE2 3.5Å; R316-E320 PolarHBondContact O-N 2.86Å
317I98.8Very high98.7Very high0 Ų032.7 Ų32.70%016%0.158CC..Hα-helixtrans-64.6-17175.660.3162.5000113.6K194 F278 A287 F308 V311 M315 I322 Q328K194-I317 VanDerWaalsContact CE-O 3.26Å; K194-I317 WeakPolarHBondContact CE-O 3.29Å; K194-I317 PolarHBondContact NZ-O 3Å; F278-I317 HydrophobicContact CB-CG2 4.47Å; F278-I317 WeakPolarHBondContact O-CG2 3.2Å; A287-I317 HydrophobicContact CB-CD1 3.86Å; F308-I317 HydrophobicContact CB-CD1 4.14Å; F308-I317 HydrophobicContact CD1-CD1 4.47Å; F308-I317 HydrophobicContact CD2-CD1 3.96Å; F308-I317 HydrophobicContact CE2-CD1 4.48Å; F308-I317 HydrophobicContact CG-CD1 3.95Å; V311-I317 HydrophobicContact CG1-CD1 4.13Å; V311-I317 HydrophobicContact CG1-CG1 4.17Å; V311-I317 HydrophobicContact CG2-CD1 3.99Å; M315-I317 VanDerWaalsContact C-N 3.27Å; M315-I317 HydrophobicContact CB-CG1 4.01Å; M315-I317 PolarHBondContact O-N 3.47Å; I317-I322 HydrophobicContact CB-CD1 4.09Å; I317-I322 HydrophobicContact CG2-CD1 4.07Å; I317-Q328 HydrophobicContact CB-CG 4.47Å; I317-Q328 HydrophobicContact CD1-CG 4.26Å
318A98.7Very high98.7Very high4 Ų432.7 Ų32.73%0.03316%0.158CC..Hα-helixtrans-91.2-19.8173.300000112.8K194 R229 V311 T312 M315 R316 M330K194-A318 VanDerWaalsContact CE-O 3.26Å; K194-A318 WeakPolarHBondContact CE-O 3.35Å; K194-A318 VanDerWaalsContact CG-O 3.28Å; K194-A318 WeakPolarHBondContact CG-O 3.34Å; R229-A318 VanDerWaalsContact CD-O 3.29Å; R229-A318 WeakPolarHBondContact CD-O 3.29Å; V311-A318 HydrophobicContact CG1-CB 3.84Å; T312-A318 VanDerWaalsContact O-CB 3.25Å; T312-A318 WeakPolarHBondContact O-CB 3.43Å; M315-A318 HydrophobicContact CB-CB 4.34Å; M315-A318 WeakPolarHBondContact O-CA 3.45Å; M315-A318 WeakPolarHBondContact O-CB 3.36Å; M315-A318 PolarHBondContact O-N 3.33Å; R316-A318 PolarHBondContact O-N 3.04Å; A318-M330 HydrophobicContact CB-CE 4Å
319R98.5Very high98.7Very high145 Ų14532.7 Ų32.755%0.54716%0.158SC..Hα-helixtrans-105.2-39.9-174.4-66.8-178.6171.6-169.2-2.2114D313 M315 R316D313-R319 WeakPolarHBondContact O-CG 3.3Å; D313-R319 PolarHBondContact O-NE 3.02Å; M315-R319 PolarHBondContact O-N 2.83Å; R316-R319 PolarHBondContact O-N 3.37Å
320E98.6Very high98.7Very high80 Ų8032.6 Ų32.637%0.37416%0.158SC..SBendtrans-95.6145.9-173.6-68.5179.9-149.500112K194 F278 R316 I322K194-E320 WeakPolarHBondContact CD-O 3.46Å; K194-E320 PolarHBondContact NZ-O 3.09Å; F278-E320 HydrophobicContact CE1-CB 3.56Å; F278-E320 HydrophobicContact CE1-CG 4.38Å; F278-E320 WeakPolarHBondContact CE1-OE2 3.44Å; F278-E320 HydrophobicContact CZ-CB 3.81Å; F278-E320 VanDerWaalsContact CZ-OE2 3.28Å; F278-E320 WeakPolarHBondContact CZ-OE2 3.47Å; R316-E320 HydrophobicContact CG-CB 4.42Å; R316-E320 VanDerWaalsContact CG-CD 3.48Å; R316-E320 HydrophobicContact CG-CG 4.11Å; R316-E320 VanDerWaalsContact CG-OE1 3.28Å; R316-E320 WeakPolarHBondContact CG-OE1 3.26Å; R316-E320 IonicContact CZ-OE2 3.81Å; R316-E320 IonicContact NE-OE1 3.25Å; R316-E320 PolarHBondContact NE-OE1 2.8Å; R316-E320 IonicContact NE-OE2 3.5Å; R316-E320 PolarHBondContact NE-OE2 3.23Å; R316-E320 IonicContact NH2-OE2 3.5Å; R316-E320 PolarHBondContact O-N 2.86Å; E320-I322 PolarHBondContact O-N 3.21Å
321E98.6Very high98.7Very high30 Ų3031.8 Ų31.814%0.1415%0.15CC..  trans-73113.6173.9-174.7178.5-129.500109.8G192 G193 F323G192-E321 WeakPolarHBondContact CA-OE1 3.44Å; G192-E321 WeakPolarHBondContact CA-OE2 2.99Å; G193-E321 PolarHBondContact N-OE1 2.93Å; G193-E321 VanDerWaalsContact N-OE1 3.1Å; E321-F323 HydrophobicContact CG-CB 4.32Å; E321-F323 HydrophobicContact CG-CD2 3.98Å
322I98.8Very high98.7Very high5 Ų531.6 Ų31.63%0.02615%0.149CC..  trans-81.1-41.3180-56.9-176.9000110.8V275 F278 I317 E320 G324 V326V275-I322 HydrophobicContact CB-CG2 4.49Å; V275-I322 HydrophobicContact CG1-CG2 4.06Å; V275-I322 HydrophobicContact CG2-CG2 4.3Å; F278-I322 HydrophobicContact CB-CD1 4.05Å; F278-I322 HydrophobicContact CB-CG1 4.01Å; F278-I322 HydrophobicContact CB-CG2 3.92Å; F278-I322 HydrophobicContact CD1-CG1 4.05Å; F278-I322 HydrophobicContact CD2-CB 4.17Å; F278-I322 HydrophobicContact CD2-CG1 4.1Å; F278-I322 HydrophobicContact CD2-CG2 3.93Å; F278-I322 HydrophobicContact CG-CB 4.32Å; F278-I322 HydrophobicContact CG-CD1 4.35Å; F278-I322 HydrophobicContact CG-CG1 3.8Å; F278-I322 HydrophobicContact CG-CG2 4.12Å; I317-I322 HydrophobicContact CB-CD1 4.09Å; I317-I322 HydrophobicContact CG2-CD1 4.07Å; E320-I322 PolarHBondContact O-N 3.21Å; I322-G324 VanDerWaalsContact C-N 3.31Å; I322-G324 PolarHBondContact O-N 2.82Å; I322-V326 HydrophobicContact CD1-CB 4.04Å; I322-V326 HydrophobicContact CD1-CG1 3.99Å; I322-V326 HydrophobicContact CG2-CB 4.3Å; I322-V326 HydrophobicContact CG2-CG2 4.02Å
323F98.6Very high98.7Very high32 Ų3235.4 Ų35.414%0.1416%0.16CC..  trans5939.8-179.1-140-115.2000113.4W90 N91 G221 Q222 H271 E321W90-F323 AromaticContact CH2-CD1 3.52Å; W90-F323 HydrophobicContact CH2-CD1 3.52Å; W90-F323 AromaticContact CH2-CE1 3.45Å; W90-F323 HydrophobicContact CH2-CE1 3.45Å; W90-F323 VanDerWaalsContact CH2-CE1 3.45Å; W90-F323 AromaticContact CZ2-CD1 3.77Å; W90-F323 HydrophobicContact CZ2-CD1 3.77Å; W90-F323 AromaticContact CZ2-CE1 3.67Å; W90-F323 HydrophobicContact CZ2-CE1 3.67Å; W90-F323 HydrophobicContact CZ3-CE1 4.15Å; N91-F323 HydrophobicContact CB-CE1 3.91Å; N91-F323 HydrophobicContact CB-CZ 4.09Å; N91-F323 WeakPolarHBondContact ND2-CZ 3.28Å; G221-F323 CarbonylContact O-C 3.47Å; G221-F323 VanDerWaalsContact O-C 3.23Å; G221-F323 WeakPolarHBondContact O-CA 3.22Å; Q222-F323 VanDerWaalsContact C-CZ 3.48Å; Q222-F323 HydrophobicContact CB-CD1 3.83Å; Q222-F323 HydrophobicContact CB-CE1 3.76Å; Q222-F323 HydrophobicContact CB-CZ 4.49Å; Q222-F323 HydrophobicContact CG-CD1 4.2Å; Q222-F323 WeakPolarHBondContact CG-O 3.33Å; H271-F323 AromaticContact NE2-CD1 3.96Å; H271-F323 PolarHBondContact NE2-O 3.41Å; E321-F323 HydrophobicContact CG-CB 4.32Å; E321-F323 HydrophobicContact CG-CD2 3.98Å
324G98.8Very high98.7Very high4 Ų436.2 Ų36.24%0.04117%0.167CC..SBendtrans-149.2177-179.200000111.3A220 G221 I322 V326A220-G324 CarbonylContact O-C 3.47Å; A220-G324 WeakPolarHBondContact O-CA 3.42Å; G221-G324 PolarHBondContact O-N 2.82Å; I322-G324 VanDerWaalsContact C-N 3.31Å; I322-G324 PolarHBondContact O-N 2.82Å; G324-V326 PolarHBondContact O-N 2.9Å
325P98.7Very high98.7Very high0 Ų032.9 Ų32.90%015%0.148CC..SBendtrans-78.864.2-17334.4-37.3000111.3F217 A220 I303 T306F217-P325 HydrophobicContact CD1-CB 3.68Å; F217-P325 HydrophobicContact CE1-CB 3.91Å; F217-P325 WeakPolarHBondContact CE1-O 3.32Å; A220-P325 WeakPolarHBondContact O-CD 3.43Å; I303-P325 HydrophobicContact CB-CG 3.92Å; I303-P325 HydrophobicContact CG2-CG 3.96Å; T306-P325 PolarHBondContact N-O 2.84Å
326V98.9Very high98.7Very high2 Ų238.8 Ų38.81%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-130.2109.6-176.9-171.40000109.2V275 I279 T306 F308 I322 G324 Q328V275-V326 HydrophobicContact CG1-CG2 3.91Å; I279-V326 HydrophobicContact CD1-CG2 3.9Å; I279-V326 HydrophobicContact CG1-CG1 4.42Å; I279-V326 HydrophobicContact CG1-CG2 3.68Å; T306-V326 HydrophobicContact CG2-CG1 4.19Å; T306-V326 CarbonylContact O-C 3.56Å; T306-V326 WeakPolarHBondContact O-CA 3.45Å; F308-V326 HydrophobicContact CD2-CG1 3.81Å; F308-V326 HydrophobicContact CE2-CG1 3.98Å; I322-V326 HydrophobicContact CD1-CB 4.04Å; I322-V326 HydrophobicContact CD1-CG1 3.99Å; I322-V326 HydrophobicContact CG2-CB 4.3Å; I322-V326 HydrophobicContact CG2-CG2 4.02Å; G324-V326 PolarHBondContact O-N 2.9Å; V326-Q328 PolarHBondContact O-NE2 3.02Å; V326-Q328 PolarHBondContact O-OE1 3.24Å
327Q98.9Very high98.7Very high0 Ų038.5 Ų38.50%018%0.177CC..EExtended strand (participates in β ladder)trans-93.3136.4179.3-176.2174.956.400111.2V216 F217 I230 T306 V307 F308 I329V216-Q327 HydrophobicContact CG1-CB 3.83Å; V216-Q327 HydrophobicContact CG1-CG 3.87Å; V216-Q327 HydrophobicContact CG2-CB 4.47Å; F217-Q327 HydrophobicContact CE2-CB 3.88Å; F217-Q327 HydrophobicContact CZ-CB 3.81Å; I230-Q327 HydrophobicContact CD1-CG 3.51Å; T306-Q327 PolarHBondContact O-N 3.03Å; V307-Q327 HydrophobicContact CG2-CB 4.21Å; F308-Q327 PolarHBondContact N-O 3.24Å; Q327-I329 HydrophobicContact CG-CG1 4.14Å
328Q98.9Very high98.7Very high0 Ų038.5 Ų38.50%018%0.177CC..EExtended strand (participates in β ladder)trans-119.4122.2178.2-59.175.98.700108.9S228 I230 V311 I317 V326 M330S228-Q328 PolarHBondContact O-OE1 3.16Å; I230-Q328 WeakPolarHBondContact CB-O 3.37Å; I230-Q328 PolarHBondContact N-O 3.13Å; V311-Q328 HydrophobicContact CB-CB 4.43Å; V311-Q328 HydrophobicContact CG1-CB 4.34Å; V311-Q328 HydrophobicContact CG2-CB 4.04Å; V311-Q328 HydrophobicContact CG2-CG 4.41Å; I317-Q328 HydrophobicContact CB-CG 4.47Å; I317-Q328 HydrophobicContact CD1-CG 4.26Å; V326-Q328 PolarHBondContact O-NE2 3.02Å; V326-Q328 PolarHBondContact O-OE1 3.24Å; Q328-M330 HydrophobicContact CB-CE 3.58Å; Q328-M330 HydrophobicContact CB-SD 4.22Å; Q328-M330 HydrophobicContact CG-CE 4.48Å
329I98.9Very high98.7Very high0 Ų039.7 Ų39.70%018%0.183CC..EExtended strand (participates in β ladder)trans-114.7121.9179.2-51.1174.8000108.5I230 V232 F240 V241 V307 F308 N310 V311 Q327I230-I329 HydrophobicContact CD1-CG1 4.46Å; V232-I329 HydrophobicContact CG2-CG2 3.84Å; F240-I329 HydrophobicContact CD1-CD1 4.29Å; F240-I329 HydrophobicContact CD1-CG2 4.31Å; F240-I329 HydrophobicContact CE1-CD1 4.26Å; V241-I329 HydrophobicContact CG2-CB 4.3Å; V241-I329 HydrophobicContact CG2-CD1 4.03Å; V241-I329 HydrophobicContact CG2-CG2 3.79Å; V307-I329 HydrophobicContact CG1-CD1 3.84Å; V307-I329 HydrophobicContact CG1-CG1 4.48Å; F308-I329 PolarHBondContact O-N 2.77Å; N310-I329 PolarHBondContact N-O 2.81Å; V311-I329 PolarHBondContact N-O 3.01Å; Q327-I329 HydrophobicContact CG-CG1 4.14Å
330M98.9Very high98.7Very high0 Ų039.9 Ų39.90%019%0.19CC..EExtended strand (participates in β ladder)trans-113.8153.3178.3-56.285.5175.800109.4R229 I230 F231 V232 V311 A318 Q328R229-M330 HydrophobicContact CB-CE 3.74Å; R229-M330 HydrophobicContact CB-SD 3.89Å; R229-M330 HydrophobicContact CG-CE 3.64Å; R229-M330 HydrophobicContact CG-SD 4.46Å; I230-M330 PolarHBondContact O-N 3.28Å; F231-M330 HydrophobicContact CD1-CB 3.79Å; F231-M330 HydrophobicContact CD1-CG 4.39Å; F231-M330 HydrophobicContact CE1-CB 4.06Å; F231-M330 HydrophobicContact CE1-CG 4.21Å; F231-M330 HydrophobicContact CG-CB 4.49Å; V232-M330 PolarHBondContact N-O 2.88Å; V311-M330 HydrophobicContact CB-CE 4.07Å; V311-M330 HydrophobicContact CB-CG 4.13Å; V311-M330 HydrophobicContact CG1-CE 3.68Å; V311-M330 HydrophobicContact CG1-CG 4.5Å; V311-M330 WeakPolarHBondContact O-CG 3.43Å; A318-M330 HydrophobicContact CB-CE 4Å; Q328-M330 HydrophobicContact CB-CE 3.58Å; Q328-M330 HydrophobicContact CB-SD 4.22Å; Q328-M330 HydrophobicContact CG-CE 4.48Å
331K98.6Very high98.7Very high71 Ų7137.8 Ų37.831%0.30918%0.179SC..EExtended strand (participates in β ladder)trans-101.5144.7174.7-178.2173.8-78.6-1500110.5V232 D234 H237 D238 R341V232-K331 WeakPolarHBondContact O-CA 3.21Å; D234-K331 HydrophobicContact CB-CD 4.22Å; D234-K331 HydrophobicContact CB-CG 4.09Å; D234-K331 WeakPolarHBondContact OD1-CD 3.48Å; D234-K331 WeakPolarHBondContact OD1-CE 3.37Å; D234-K331 IonicContact OD1-NZ 3.75Å; D234-K331 PolarHBondContact OD1-NZ 3.4Å; H237-K331 VanDerWaalsContact ND1-CE 3.3Å; H237-K331 WeakPolarHBondContact ND1-CE 3.34Å; D238-K331 IonicContact OD1-NZ 3.67Å; K331-R341 PolarHBondContact O-NH1 2.93Å
332F98.8Very high98.7Very high2 Ų236.6 Ų36.61%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-140164.4169.277.2-86.8000111.3I198 I199 F200 F231 V232 E233 D234 T334 V338I198-F332 HydrophobicContact CG2-CE1 4Å; I198-F332 HydrophobicContact CG2-CZ 3.95Å; I199-F332 WeakPolarHBondContact O-CE1 3.34Å; F200-F332 HydrophobicContact CD1-CE2 4.19Å; F200-F332 AromaticContact CD1-CZ 3.95Å; F200-F332 HydrophobicContact CD1-CZ 3.95Å; F200-F332 AromaticContact CE1-CE2 3.64Å; F200-F332 HydrophobicContact CE1-CE2 3.64Å; F200-F332 AromaticContact CE1-CZ 3.72Å; F200-F332 HydrophobicContact CE1-CZ 3.72Å; F200-F332 HydrophobicContact CE2-CZ 4.4Å; F200-F332 HydrophobicContact CG-CZ 4.39Å; F200-F332 HydrophobicContact CZ-CE2 4.03Å; F200-F332 AromaticContact CZ-CZ 3.94Å; F200-F332 HydrophobicContact CZ-CZ 3.94Å; F231-F332 HydrophobicContact CB-CD1 3.73Å; F231-F332 HydrophobicContact CB-CE1 4.19Å; F231-F332 WeakPolarHBondContact O-CE1 3.38Å; V232-F332 WeakPolarHBondContact O-CD1 3.23Å; V232-F332 PolarHBondContact O-N 2.7Å; E233-F332 WeakPolarHBondContact CA-O 3.47Å; E233-F332 HydrophobicContact CB-CE1 3.97Å; E233-F332 HydrophobicContact CB-CE2 4.18Å; E233-F332 HydrophobicContact CB-CZ 3.71Å; E233-F332 HydrophobicContact CG-CE2 4.24Å; E233-F332 HydrophobicContact CG-CZ 4.26Å; D234-F332 PolarHBondContact N-O 3.18Å; F332-T334 WeakPolarHBondContact CD2-O 3.35Å; F332-V338 HydrophobicContact CB-CB 4.07Å; F332-V338 HydrophobicContact CB-CG2 4.21Å; F332-V338 HydrophobicContact CD1-CB 4.3Å; F332-V338 HydrophobicContact CD1-CG2 3.92Å; F332-V338 HydrophobicContact CD2-CB 3.6Å; F332-V338 HydrophobicContact CD2-CG1 3.9Å; F332-V338 HydrophobicContact CD2-CG2 4.13Å; F332-V338 HydrophobicContact CE1-CG2 4.27Å; F332-V338 HydrophobicContact CE2-CB 4.06Å; F332-V338 HydrophobicContact CE2-CG1 3.86Å; F332-V338 HydrophobicContact CE2-CG2 4.49Å; F332-V338 HydrophobicContact CG-CB 3.73Å; F332-V338 HydrophobicContact CG-CG1 4.44Å; F332-V338 HydrophobicContact CG-CG2 3.83Å; F332-V338 HydrophobicContact CZ-CG1 4.36Å
333K98.5Very high98.7Very high141 Ų14137.6 Ų37.661%0.61318%0.179SC*.  trans-119.6-34.6-178.7-68.4-175.5176.3-175.50114.8D234 E337D234-K333 HydrophobicContact CB-CG 4.16Å; D234-K333 WeakPolarHBondContact OD2-CE 3.34Å; K333-E337 PolarHBondContact N-OE2 3.45Å
334T98.5Very high98.7Very high63 Ų6341.8 Ų41.839%0.38720%0.203SC..  trans-127.8159.6-178.6880000112.7F332 E336 E337 V338F332-T334 WeakPolarHBondContact CD2-O 3.35Å; T334-E336 VanDerWaalsContact C-N 3.32Å; T334-E336 WeakPolarHBondContact CB-OE2 3.26Å; T334-E336 PolarHBondContact OG1-N 3.43Å; T334-E336 PolarHBondContact OG1-OE2 3.08Å; T334-E337 PolarHBondContact N-OE2 3.09Å; T334-E337 PolarHBondContact O-N 3.2Å; T334-E337 WeakPolarHBondContact OG1-CB 3.37Å; T334-E337 PolarHBondContact OG1-N 3.28Å; T334-V338 PolarHBondContact O-N 2.87Å; T334-V338 VanDerWaalsContact O-N 3.09Å
335I98.2Very high98.7Very high39 Ų3942.6 Ų42.620%0.221%0.208CC..Hα-helixtrans-63.1-42.4178-68.5170000110.3F200 V338 I339 K360 I364F200-I335 HydrophobicContact CE1-CD1 4.31Å; F200-I335 HydrophobicContact CE1-CG1 3.52Å; F200-I335 HydrophobicContact CZ-CG1 3.83Å; I335-V338 WeakPolarHBondContact O-CG1 3.43Å; I335-V338 PolarHBondContact O-N 3.11Å; I335-I339 HydrophobicContact CG2-CD1 3.63Å; I335-I339 HydrophobicContact CG2-CG1 4.37Å; I335-I339 WeakPolarHBondContact O-CB 3.35Å; I335-I339 VanDerWaalsContact O-CG1 3.23Å; I335-I339 WeakPolarHBondContact O-CG1 3.44Å; I335-I339 PolarHBondContact O-N 3.03Å; I335-K360 HydrophobicContact CD1-CD 4.11Å; I335-K360 HydrophobicContact CD1-CG 3.78Å; I335-I364 HydrophobicContact CG2-CD1 4.29Å; I335-I364 HydrophobicContact CG2-CG1 4.09Å
336E98.4Very high98.7Very high133 Ų13348.1 Ų48.162%0.62124%0.237SC*.Hα-helixtrans-63.6-46.1-178.9-57.770.6-151.900110.6T334 I339 E340T334-E336 VanDerWaalsContact C-N 3.32Å; T334-E336 WeakPolarHBondContact CB-OE2 3.26Å; T334-E336 PolarHBondContact OG1-N 3.43Å; T334-E336 PolarHBondContact OG1-OE2 3.08Å; E336-I339 PolarHBondContact O-N 2.9Å; E336-E340 PolarHBondContact O-N 2.98Å; E336-E340 VanDerWaalsContact O-N 3.07Å
337E98.5Very high98.7Very high58 Ų5850.5 Ų50.527%0.27125%0.246SC..Hα-helixtrans-58.3-49.9176.8-175-148.4147.200111.2K333 T334 I339 E340 R341K333-E337 PolarHBondContact N-OE2 3.45Å; T334-E337 PolarHBondContact N-OE2 3.09Å; T334-E337 PolarHBondContact O-N 3.2Å; T334-E337 WeakPolarHBondContact OG1-CB 3.37Å; T334-E337 PolarHBondContact OG1-N 3.28Å; E337-I339 VanDerWaalsContact C-N 3.35Å; E337-I339 PolarHBondContact O-N 3.48Å; E337-E340 PolarHBondContact O-N 2.93Å; E337-R341 WeakPolarHBondContact O-CB 3.39Å; E337-R341 VanDerWaalsContact O-CG 3.25Å; E337-R341 WeakPolarHBondContact O-CG 3.43Å; E337-R341 PolarHBondContact O-N 2.86Å; E337-R341 WeakPolarHBondContact OE1-CD 2.97Å; E337-R341 IonicContact OE1-CZ 3.09Å; E337-R341 IonicContact OE1-NE 3.59Å; E337-R341 IonicContact OE1-NH1 3.87Å; E337-R341 PolarHBondContact OE1-NH1 3.26Å
338V98.8Very high98.7Very high0 Ų050.8 Ų50.80%025%0.249CC..Hα-helixtrans-70.7-31.9-176.174.20000112.4I198 F200 F231 F332 T334 I335 A342I198-V338 HydrophobicContact CD1-CG1 4.38Å; I198-V338 HydrophobicContact CD1-CG2 3.98Å; I198-V338 HydrophobicContact CG1-CG2 3.92Å; I198-V338 HydrophobicContact CG2-CG1 4.05Å; I198-V338 HydrophobicContact CG2-CG2 3.84Å; F200-V338 HydrophobicContact CZ-CG1 4.23Å; F231-V338 HydrophobicContact CB-CG2 3.55Å; F231-V338 HydrophobicContact CD1-CG2 4.11Å; F231-V338 HydrophobicContact CD2-CG2 4.35Å; F231-V338 HydrophobicContact CG-CG2 3.76Å; F332-V338 HydrophobicContact CB-CB 4.07Å; F332-V338 HydrophobicContact CB-CG2 4.21Å; F332-V338 HydrophobicContact CD1-CB 4.3Å; F332-V338 HydrophobicContact CD1-CG2 3.92Å; F332-V338 HydrophobicContact CD2-CB 3.6Å; F332-V338 HydrophobicContact CD2-CG1 3.9Å; F332-V338 HydrophobicContact CD2-CG2 4.13Å; F332-V338 HydrophobicContact CE1-CG2 4.27Å; F332-V338 HydrophobicContact CE2-CB 4.06Å; F332-V338 HydrophobicContact CE2-CG1 3.86Å; F332-V338 HydrophobicContact CE2-CG2 4.49Å; F332-V338 HydrophobicContact CG-CB 3.73Å; F332-V338 HydrophobicContact CG-CG1 4.44Å; F332-V338 HydrophobicContact CG-CG2 3.83Å; F332-V338 HydrophobicContact CZ-CG1 4.36Å; T334-V338 PolarHBondContact O-N 2.87Å; T334-V338 VanDerWaalsContact O-N 3.09Å; I335-V338 WeakPolarHBondContact O-CG1 3.43Å; I335-V338 PolarHBondContact O-N 3.11Å; V338-A342 WeakPolarHBondContact O-CB 3.47Å; V338-A342 PolarHBondContact O-N 3.25Å
339I98.8Very high98.6Very high29 Ų2950.8 Ų50.815%0.14925%0.249CC..Hα-helixtrans-63.3-47.8172.9-72.9168.1000110.3I335 E336 E337 A342 N343 I364 A367I335-I339 HydrophobicContact CG2-CD1 3.63Å; I335-I339 HydrophobicContact CG2-CG1 4.37Å; I335-I339 WeakPolarHBondContact O-CB 3.35Å; I335-I339 VanDerWaalsContact O-CG1 3.23Å; I335-I339 WeakPolarHBondContact O-CG1 3.44Å; I335-I339 PolarHBondContact O-N 3.03Å; E336-I339 PolarHBondContact O-N 2.9Å; E337-I339 VanDerWaalsContact C-N 3.35Å; E337-I339 PolarHBondContact O-N 3.48Å; I339-A342 PolarHBondContact O-N 3.41Å; I339-N343 WeakPolarHBondContact O-CB 3.36Å; I339-N343 PolarHBondContact O-N 3.04Å; I339-N343 PolarHBondContact O-ND2 2.87Å; I339-I364 HydrophobicContact CD1-CG1 4.11Å; I339-I364 HydrophobicContact CG1-CG1 4.23Å; I339-A367 HydrophobicContact CD1-CB 3.91Å; I339-A367 HydrophobicContact CG1-CB 4.32Å; I339-A367 HydrophobicContact CG2-CB 3.78Å
340E98.8Very high98.6Very high148 Ų14850.8 Ų50.869%0.69225%0.249SC*.Hα-helixtrans-59.2-50.3178.9-175.6178.4174.500110.8E336 E337 N343 N344E336-E340 PolarHBondContact O-N 2.98Å; E336-E340 VanDerWaalsContact O-N 3.07Å; E337-E340 PolarHBondContact O-N 2.93Å; E340-N343 PolarHBondContact O-N 2.82Å; E340-N344 WeakPolarHBondContact O-CB 3.42Å; E340-N344 PolarHBondContact O-N 2.78Å
341R98.8Very high98.6Very high37 Ų3750.8 Ų50.814%0.1425%0.249CC..Hα-helixtrans-66.6-39.5-179.2-65.2171.563.2-159.3-4.9112.8R229 F231 D313 K331 E337 N343 N344R229-R341 PolarHBondContact NH1-O 3.43Å; F231-R341 HydrophobicContact CE1-CB 4.07Å; F231-R341 HydrophobicContact CZ-CB 4.35Å; D313-R341 IonicContact OD1-CZ 2.8Å; D313-R341 IonicContact OD1-NE 2.67Å; D313-R341 PolarHBondContact OD1-NE 3.3Å; D313-R341 IonicContact OD1-NH2 2.76Å; D313-R341 PolarHBondContact OD1-NH2 3.49Å; D313-R341 WeakPolarHBondContact OD2-CG 3.42Å; D313-R341 IonicContact OD2-CZ 2.73Å; D313-R341 IonicContact OD2-NE 3.37Å; D313-R341 PolarHBondContact OD2-NE 3.3Å; D313-R341 IonicContact OD2-NH2 3.38Å; K331-R341 PolarHBondContact O-NH1 2.93Å; E337-R341 WeakPolarHBondContact O-CB 3.39Å; E337-R341 VanDerWaalsContact O-CG 3.25Å; E337-R341 WeakPolarHBondContact O-CG 3.43Å; E337-R341 PolarHBondContact O-N 2.86Å; E337-R341 WeakPolarHBondContact OE1-CD 2.97Å; E337-R341 IonicContact OE1-CZ 3.09Å; E337-R341 IonicContact OE1-NE 3.59Å; E337-R341 IonicContact OE1-NH1 3.87Å; E337-R341 PolarHBondContact OE1-NH1 3.26Å; R341-N343 VanDerWaalsContact C-N 3.31Å; R341-N343 PolarHBondContact O-N 3.01Å; R341-N344 PolarHBondContact O-N 3.28Å
342A98.8Very high98.6Very high4 Ų447.4 Ų47.43%0.03324%0.235CC..Hα-helixtrans-61.7-41.4175.500000111.3P196 I198 R229 V338 I339 L368P196-A342 HydrophobicContact CB-CB 3.72Å; P196-A342 HydrophobicContact CG-CB 3.83Å; I198-A342 HydrophobicContact CD1-CB 4.08Å; R229-A342 PolarHBondContact NH2-O 3.44Å; V338-A342 WeakPolarHBondContact O-CB 3.47Å; V338-A342 PolarHBondContact O-N 3.25Å; I339-A342 PolarHBondContact O-N 3.41Å; A342-L368 HydrophobicContact CB-CD2 3.61Å
343N98.8Very high98.6Very high26 Ų2647.3 Ų47.314%0.13923%0.234CC..Hα-helixtrans-81.7-17.1179.8-74.2-25000114.3I339 E340 R341 S345 A367 L368 Q369 K391I339-N343 WeakPolarHBondContact O-CB 3.36Å; I339-N343 PolarHBondContact O-N 3.04Å; I339-N343 PolarHBondContact O-ND2 2.87Å; E340-N343 PolarHBondContact O-N 2.82Å; R341-N343 VanDerWaalsContact C-N 3.31Å; R341-N343 PolarHBondContact O-N 3.01Å; N343-S345 PolarHBondContact O-N 2.96Å; N343-A367 PolarHBondContact ND2-O 2.93Å; N343-L368 WeakPolarHBondContact OD1-CA 3.37Å; N343-Q369 PolarHBondContact OD1-N 2.87Å; N343-K391 PolarHBondContact O-NZ 2.77Å
344N98.8Very high98.7Very high120 Ų12040.7 Ų40.764%0.64221%0.206SC*.  trans-7469.4175.5-169.617.5000111.6E340 R341E340-N344 WeakPolarHBondContact O-CB 3.42Å; E340-N344 PolarHBondContact O-N 2.78Å; R341-N344 PolarHBondContact O-N 3.28Å
345S98.4Very high98.7Very high22 Ų2237.8 Ų37.815%0.15419%0.188CC..SBendtrans-152.7147.7177.3-171.40000109.5N343 Y347 K391N343-S345 PolarHBondContact O-N 2.96Å; S345-Y347 PolarHBondContact O-N 2.95Å; S345-Y347 PolarHBondContact OG-N 3.14Å; S345-K391 WeakPolarHBondContact O-CD 3.35Å; S345-K391 PolarHBondContact O-NZ 3.3Å
346D98.3Very high98.7Very high115 Ų11540.5 Ų40.562%0.61521%0.21SC*.SBendtrans-69.3-18.7168.4-66.2-26.1000112K391 M392D346-K391 WeakPolarHBondContact O-CB 3.26Å; D346-M392 HydrophobicContact CB-SD 3.97Å; D346-M392 WeakPolarHBondContact O-CB 3.27Å; D346-M392 PolarHBondContact O-N 2.83Å
347Y98.8Very high98.7Very high52 Ų5236.7 Ų36.720%0.20419%0.194CC..  trans-90.2162.9177.9-62.6-66.5000112.4T169 G192 K194 S345 S393T169-Y347 WeakPolarHBondContact OG1-CE1 3.49Å; G192-Y347 WeakPolarHBondContact O-CD1 3.38Å; K194-Y347 HydrophobicContact CB-CD2 3.67Å; K194-Y347 HydrophobicContact CB-CE2 4.34Å; K194-Y347 HydrophobicContact CB-CG 4.41Å; S345-Y347 PolarHBondContact O-N 2.95Å; S345-Y347 PolarHBondContact OG-N 3.14Å; Y347-S393 WeakPolarHBondContact CA-OG 3.25Å; Y347-S393 WeakPolarHBondContact CB-OG 3.4Å; Y347-S393 WeakPolarHBondContact CD1-OG 3.45Å
348G98.6Very high98.7Very high6 Ų639.8 Ų39.86%0.06221%0.211CC..  trans-168.645.8177.500000112.3Q369 A370 G371 Y390 S393G348-Q369 WeakPolarHBondContact CA-O 3.35Å; G348-A370 WeakPolarHBondContact O-CA 3.36Å; G348-G371 PolarHBondContact O-N 3.27Å; G348-G371 VanDerWaalsContact O-N 3.09Å; G348-Y390 WeakPolarHBondContact O-CB 3.22Å; G348-Y390 PolarHBondContact O-N 2.82Å; G348-S393 PolarHBondContact N-OG 2.91Å
349L98.7Very high98.7Very high0 Ų045.3 Ų45.30%024%0.241CC..SBendtrans-75.6-65.5-177.2-17057.8000111.3N195 C224 G371 T372 F387 S393N195-L349 WeakPolarHBondContact OD1-CB 3.37Å; C224-L349 HydrophobicContact CB-CD2 3.53Å; C224-L349 WeakPolarHBondContact O-CD2 3.39Å; L349-G371 WeakPolarHBondContact O-CA 3.39Å; L349-G371 PolarHBondContact O-N 3.01Å; L349-T372 PolarHBondContact O-N 2.8Å; L349-F387 HydrophobicContact CD1-CE1 3.87Å; L349-F387 HydrophobicContact CD1-CZ 3.77Å; L349-F387 HydrophobicContact CD2-CE1 4.41Å; L349-F387 HydrophobicContact CD2-CZ 3.91Å; L349-F387 HydrophobicContact CG-CE1 4.37Å; L349-F387 HydrophobicContact CG-CZ 3.81Å; L349-S393 PolarHBondContact N-OG 3.29Å
350V98.8Very high98.7Very high0 Ų046 Ų460%024%0.243CC..EExtended strand (participates in β ladder)trans-133.3165.9176.7-53.40000111.6N195 P196 T225 T372 W374 F378 F387N195-V350 HydrophobicContact CB-CG2 3.64Å; N195-V350 WeakPolarHBondContact CB-O 3.26Å; N195-V350 PolarHBondContact OD1-N 2.88Å; N195-V350 PolarHBondContact OD1-O 2.93Å; N195-V350 VanDerWaalsContact OD1-O 3.11Å; P196-V350 WeakPolarHBondContact CD-O 3.42Å; T225-V350 HydrophobicContact CG2-CG1 3.88Å; T225-V350 HydrophobicContact CG2-CG2 4.34Å; T225-V350 WeakPolarHBondContact O-CG2 3.47Å; V350-T372 CarbonylContact C-O 3.57Å; V350-T372 WeakPolarHBondContact CA-O 3.48Å; V350-W374 HydrophobicContact CB-CH2 4.08Å; V350-W374 HydrophobicContact CB-CZ3 3.89Å; V350-W374 HydrophobicContact CG1-CH2 3.9Å; V350-W374 HydrophobicContact CG1-CZ2 4.47Å; V350-W374 HydrophobicContact CG1-CZ3 4.25Å; V350-W374 HydrophobicContact CG2-CH2 4.03Å; V350-W374 HydrophobicContact CG2-CZ3 3.65Å; V350-F378 HydrophobicContact CG2-CZ 4.41Å; V350-F387 HydrophobicContact CG1-CE2 3.61Å; V350-F387 HydrophobicContact CG1-CZ 4.24Å
351A98.8Very high98.6Very high0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-146.7165.9166.700000110.2P196 L368 A370 T372 V373 W374P196-A351 HydrophobicContact CG-CB 3.79Å; P196-A351 CarbonylContact O-C 3.48Å; P196-A351 VanDerWaalsContact O-CA 3.25Å; P196-A351 WeakPolarHBondContact O-CA 3.37Å; A351-L368 HydrophobicContact CB-CD1 3.73Å; A351-A370 HydrophobicContact CB-CB 3.86Å; A351-T372 PolarHBondContact N-O 3.28Å; A351-V373 HydrophobicContact CB-CG2 4.44Å; A351-V373 CarbonylContact O-C 3.49Å; A351-V373 WeakPolarHBondContact O-CA 3.42Å; A351-W374 PolarHBondContact O-N 3.07Å
352A98.8Very high98.6Very high0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-141.3153.9170.400000112.2P196 I198 F354 W374 F378P196-A352 PolarHBondContact O-N 2.95Å; I198-A352 PolarHBondContact N-O 3.03Å; A352-F354 HydrophobicContact CB-CE2 4.12Å; A352-W374 CarbonylContact C-O 3.54Å; A352-W374 VanDerWaalsContact CA-O 3.23Å; A352-W374 WeakPolarHBondContact CA-O 3.39Å; A352-W374 HydrophobicContact CB-CB 4.13Å; A352-W374 HydrophobicContact CB-CE3 4.47Å; A352-F378 HydrophobicContact CB-CD2 3.33Å; A352-F378 HydrophobicContact CB-CE2 3.49Å; A352-F378 VanDerWaalsContact CB-CE2 3.49Å; A352-F378 HydrophobicContact CB-CG 4.49Å
353V98.8Very high98.6Very high0 Ų046.5 Ų46.50%025%0.254CS..EExtended strand (participates in β ladder)trans-132.5131.8174.360.60000110.2I198 F200 T355 I364 T365 W374 I375 N376I198-V353 CarbonylContact O-C 3.41Å; I198-V353 WeakPolarHBondContact O-CA 3.36Å; F200-V353 HydrophobicContact CD2-CG2 4.04Å; F200-V353 HydrophobicContact CE2-CG2 3.87Å; V353-T355 HydrophobicContact CG2-CG2 4.07Å; V353-I364 HydrophobicContact CB-CG2 4.06Å; V353-I364 HydrophobicContact CG1-CG2 4.5Å; V353-I364 HydrophobicContact CG2-CB 4.41Å; V353-I364 HydrophobicContact CG2-CD1 3.93Å; V353-I364 HydrophobicContact CG2-CG2 4.11Å; V353-T365 HydrophobicContact CG1-CG2 4.03Å; V353-W374 PolarHBondContact N-O 3Å; V353-I375 HydrophobicContact CG1-CB 4.31Å; V353-I375 HydrophobicContact CG1-CG1 3.86Å; V353-I375 HydrophobicContact CG1-CG2 4.31Å; V353-I375 CarbonylContact O-C 3.44Å; V353-I375 WeakPolarHBondContact O-CA 3.31Å; V353-N376 PolarHBondContact O-N 3.38Å
354F98.9Very high98.5Very high2 Ų245.2 Ų45.21%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-115.2116175.2-72.8-103.1000109.1N197 I198 I199 F200 A203 V207 A208 Q211 A352 N376N197-F354 WeakPolarHBondContact OD1-CD2 3.45Å; N197-F354 VanDerWaalsContact OD1-CE2 3.26Å; N197-F354 WeakPolarHBondContact OD1-CE2 3.46Å; I198-F354 PolarHBondContact O-N 2.72Å; I199-F354 HydrophobicContact CD1-CB 3.84Å; I199-F354 HydrophobicContact CD1-CD2 3.38Å; I199-F354 HydrophobicContact CD1-CE2 4.16Å; I199-F354 HydrophobicContact CD1-CG 3.74Å; I199-F354 HydrophobicContact CG2-CB 4.37Å; F200-F354 WeakPolarHBondContact CB-O 3.24Å; F200-F354 PolarHBondContact N-O 2.86Å; A203-F354 HydrophobicContact CB-CB 3.86Å; V207-F354 HydrophobicContact CG1-CE1 4.37Å; A208-F354 HydrophobicContact CB-CB 4.32Å; A208-F354 HydrophobicContact CB-CD1 3.95Å; A208-F354 HydrophobicContact CB-CG 4.21Å; Q211-F354 HydrophobicContact CB-CE1 3.69Å; Q211-F354 HydrophobicContact CB-CZ 3.45Å; Q211-F354 VanDerWaalsContact CB-CZ 3.45Å; Q211-F354 HydrophobicContact CG-CE1 3.91Å; Q211-F354 HydrophobicContact CG-CZ 4.03Å; A352-F354 HydrophobicContact CB-CE2 4.12Å; F354-N376 VanDerWaalsContact CA-OD1 3.26Å; F354-N376 WeakPolarHBondContact CA-OD1 3.44Å; F354-N376 VanDerWaalsContact CE1-C 3.46Å
355T98.8Very high98.3Very high3 Ų341.1 Ų41.12%0.01823%0.226CC..  trans-167.5148.7-178.7-178.40000110.2D202 V353 D357 K360 A361 N376D202-T355 VanDerWaalsContact CG-OG1 3.26Å; D202-T355 VanDerWaalsContact OD1-CA 3.31Å; D202-T355 WeakPolarHBondContact OD1-CA 3.5Å; D202-T355 VanDerWaalsContact OD1-CB 3.29Å; D202-T355 WeakPolarHBondContact OD1-CB 3.45Å; D202-T355 PolarHBondContact OD1-OG1 2.72Å; D202-T355 PolarHBondContact OD2-OG1 3.02Å; V353-T355 HydrophobicContact CG2-CG2 4.07Å; T355-D357 WeakPolarHBondContact CG2-O 3.41Å; T355-D357 PolarHBondContact OG1-N 3.38Å; T355-D357 VanDerWaalsContact OG1-N 3.08Å; T355-K360 HydrophobicContact CG2-CB 4.11Å; T355-A361 HydrophobicContact CG2-CB 3.9Å; T355-N376 PolarHBondContact N-OD1 3.47Å; T355-N376 PolarHBondContact O-ND2 3.44Å; T355-N376 PolarHBondContact O-OD1 3.35Å
356S98.5Very high98.3Very high96 Ų9644.2 Ų44.267%0.67125%0.254SS*.SBendtrans-86.5-8.3168.365.10000113.4D202D202-S356 PolarHBondContact O-OG 2.93Å
357D98.6Very high98.3Very high52 Ų5240.5 Ų40.528%0.27824%0.239SC..  trans-91.4116.4-177.4-174.2-22.5000111.3T355 N359 K360 A361T355-D357 WeakPolarHBondContact CG2-O 3.41Å; T355-D357 PolarHBondContact OG1-N 3.38Å; T355-D357 VanDerWaalsContact OG1-N 3.08Å; D357-N359 VanDerWaalsContact C-N 3.29Å; D357-N359 PolarHBondContact O-N 3.29Å; D357-N359 WeakPolarHBondContact OD1-CA 3.43Å; D357-N359 WeakPolarHBondContact OD1-CB 2.97Å; D357-N359 PolarHBondContact OD1-N 3.01Å; D357-K360 HydrophobicContact CB-CB 4.13Å; D357-K360 HydrophobicContact CB-CD 3.96Å; D357-K360 HydrophobicContact CB-CG 3.89Å; D357-K360 PolarHBondContact O-N 3.2Å; D357-K360 PolarHBondContact OD1-N 3.24Å; D357-A361 PolarHBondContact O-N 2.9Å
358I98.4Very high98.2Very high123 Ų12338.6 Ų38.663%0.63123%0.232SC*.Hα-helixtrans-62-34.3178.8-168.3168.7000112.8A361 M362I358-A361 PolarHBondContact O-N 3Å; I358-M362 HydrophobicContact CG1-CG 4.2Å; I358-M362 WeakPolarHBondContact O-CB 3.15Å; I358-M362 VanDerWaalsContact O-CG 3.27Å; I358-M362 WeakPolarHBondContact O-CG 3.45Å; I358-M362 PolarHBondContact O-N 3.48Å
359N98.4Very high98.3Very high116 Ų11642.5 Ų42.562%0.6225%0.249SC*.Hα-helixtrans-69.4-41.7-179.9-63.4-44000110.6D357 T363D357-N359 VanDerWaalsContact C-N 3.29Å; D357-N359 PolarHBondContact O-N 3.29Å; D357-N359 WeakPolarHBondContact OD1-CA 3.43Å; D357-N359 WeakPolarHBondContact OD1-CB 2.97Å; D357-N359 PolarHBondContact OD1-N 3.01Å; N359-T363 VanDerWaalsContact O-CB 3.24Å; N359-T363 WeakPolarHBondContact O-CB 3.44Å; N359-T363 PolarHBondContact O-N 3.16Å; N359-T363 PolarHBondContact O-OG1 3.35Å
360K98.4Very high98.3Very high43 Ų4343 Ų4319%0.18725%0.253CS..Hα-helixtrans-62.3-48.5173.6-65.1-174.7-170.3166.30110.8F200 D202 I335 T355 D357 M362 T363 I364F200-K360 HydrophobicContact CD1-CD 3.94Å; F200-K360 HydrophobicContact CE1-CD 4.27Å; F200-K360 HydrophobicContact CG-CD 4.16Å; D202-K360 IonicContact OD2-NZ 2.88Å; D202-K360 PolarHBondContact OD2-NZ 3.44Å; I335-K360 HydrophobicContact CD1-CD 4.11Å; I335-K360 HydrophobicContact CD1-CG 3.78Å; T355-K360 HydrophobicContact CG2-CB 4.11Å; D357-K360 HydrophobicContact CB-CB 4.13Å; D357-K360 HydrophobicContact CB-CD 3.96Å; D357-K360 HydrophobicContact CB-CG 3.89Å; D357-K360 PolarHBondContact O-N 3.2Å; D357-K360 PolarHBondContact OD1-N 3.24Å; K360-M362 PolarHBondContact O-N 3.08Å; K360-T363 PolarHBondContact O-N 3.41Å; K360-I364 WeakPolarHBondContact O-CB 3.32Å; K360-I364 VanDerWaalsContact O-CG1 3.29Å; K360-I364 WeakPolarHBondContact O-CG1 2.91Å; K360-I364 PolarHBondContact O-N 3.15Å
361A98.1Very high98.2Very high7 Ų744 Ų446%0.05826%0.263CS..Hα-helixtrans-56.5-49.7179.100000111.7T355 D357 I358 T365 I375T355-A361 HydrophobicContact CG2-CB 3.9Å; D357-A361 PolarHBondContact O-N 2.9Å; I358-A361 PolarHBondContact O-N 3Å; A361-T365 VanDerWaalsContact O-CB 3.32Å; A361-T365 WeakPolarHBondContact O-CB 3.39Å; A361-T365 WeakPolarHBondContact O-CG2 3.35Å; A361-T365 PolarHBondContact O-N 2.92Å; A361-T365 PolarHBondContact O-OG1 3.27Å; A361-I375 HydrophobicContact CB-CD1 4.31Å; A361-I375 HydrophobicContact CB-CG2 4.07Å
362M98Very high98.2Very high116 Ų11645.2 Ų45.257%0.57127%0.271SS*.Hα-helixtrans-68-40.3180-67.5-52.7-58.300112.9I358 K360 I364 T365 A366I358-M362 HydrophobicContact CG1-CG 4.2Å; I358-M362 WeakPolarHBondContact O-CB 3.15Å; I358-M362 VanDerWaalsContact O-CG 3.27Å; I358-M362 WeakPolarHBondContact O-CG 3.45Å; I358-M362 PolarHBondContact O-N 3.48Å; K360-M362 PolarHBondContact O-N 3.08Å; M362-I364 PolarHBondContact O-N 2.94Å; M362-T365 WeakPolarHBondContact CA-OG1 3.47Å; M362-T365 PolarHBondContact O-OG1 2.9Å; M362-A366 VanDerWaalsContact O-CB 3.31Å; M362-A366 WeakPolarHBondContact O-CB 3.42Å; M362-A366 PolarHBondContact O-N 3.43Å; M362-A366 VanDerWaalsContact O-N 3.13Å
363T98Very high98.2Very high77 Ų7747.1 Ų47.147%0.47228%0.282SS..Hα-helixtrans-61.8-45.9177.8-60.10000111.1N359 K360 A367N359-T363 VanDerWaalsContact O-CB 3.24Å; N359-T363 WeakPolarHBondContact O-CB 3.44Å; N359-T363 PolarHBondContact O-N 3.16Å; N359-T363 PolarHBondContact O-OG1 3.35Å; K360-T363 PolarHBondContact O-N 3.41Å; T363-A367 WeakPolarHBondContact O-CB 3.45Å; T363-A367 PolarHBondContact O-N 2.76Å
364I96.8Very high98.2Very high0 Ų047.9 Ų47.90%029%0.285CS..Hα-helixtrans-73.3-45.2-175.7-70170.3000111I198 F200 I335 I339 V353 K360 M362 A366 A367 L368I198-I364 HydrophobicContact CD1-CG2 4.12Å; F200-I364 HydrophobicContact CD2-CD1 4.27Å; F200-I364 HydrophobicContact CE1-CD1 4.42Å; F200-I364 HydrophobicContact CE2-CD1 3.09Å; F200-I364 HydrophobicContact CZ-CD1 3.2Å; I335-I364 HydrophobicContact CG2-CD1 4.29Å; I335-I364 HydrophobicContact CG2-CG1 4.09Å; I339-I364 HydrophobicContact CD1-CG1 4.11Å; I339-I364 HydrophobicContact CG1-CG1 4.23Å; V353-I364 HydrophobicContact CB-CG2 4.06Å; V353-I364 HydrophobicContact CG1-CG2 4.5Å; V353-I364 HydrophobicContact CG2-CB 4.41Å; V353-I364 HydrophobicContact CG2-CD1 3.93Å; V353-I364 HydrophobicContact CG2-CG2 4.11Å; K360-I364 WeakPolarHBondContact O-CB 3.32Å; K360-I364 VanDerWaalsContact O-CG1 3.29Å; K360-I364 WeakPolarHBondContact O-CG1 2.91Å; K360-I364 PolarHBondContact O-N 3.15Å; M362-I364 PolarHBondContact O-N 2.94Å; I364-A366 VanDerWaalsContact C-N 3.26Å; I364-A366 PolarHBondContact O-N 3.36Å; I364-A367 PolarHBondContact O-N 3.01Å; I364-A367 VanDerWaalsContact O-N 3.07Å; I364-L368 HydrophobicContact CG2-CD1 3.42Å; I364-L368 VanDerWaalsContact CG2-CD1 3.42Å; I364-L368 HydrophobicContact CG2-CG 3.88Å; I364-L368 WeakPolarHBondContact O-CB 3.18Å; I364-L368 VanDerWaalsContact O-CG 3.24Å; I364-L368 WeakPolarHBondContact O-CG 3.34Å; I364-L368 PolarHBondContact O-N 3.29Å
365T95.4Very high98.2Very high33 Ų3351 Ų5120%0.20230%0.301CS..Hα-helixtrans-61.4-35.3178.855.10000112.4V353 A361 M362 V373 I375V353-T365 HydrophobicContact CG1-CG2 4.03Å; A361-T365 VanDerWaalsContact O-CB 3.32Å; A361-T365 WeakPolarHBondContact O-CB 3.39Å; A361-T365 WeakPolarHBondContact O-CG2 3.35Å; A361-T365 PolarHBondContact O-N 2.92Å; A361-T365 PolarHBondContact O-OG1 3.27Å; M362-T365 WeakPolarHBondContact CA-OG1 3.47Å; M362-T365 PolarHBondContact O-OG1 2.9Å; T365-V373 HydrophobicContact CG2-CB 4.29Å; T365-V373 HydrophobicContact CG2-CG1 3.57Å; T365-I375 HydrophobicContact CG2-CD1 3.66Å; T365-I375 HydrophobicContact CG2-CG1 3.63Å
366A97.4Very high98.2Very high88 Ų8854.3 Ų54.373%0.72732%0.319SS*.Hα-helixtrans-71.6-30.9174.300000113.5M362 I364M362-A366 VanDerWaalsContact O-CB 3.31Å; M362-A366 WeakPolarHBondContact O-CB 3.42Å; M362-A366 PolarHBondContact O-N 3.43Å; M362-A366 VanDerWaalsContact O-N 3.13Å; I364-A366 VanDerWaalsContact C-N 3.26Å; I364-A366 PolarHBondContact O-N 3.36Å
367A98.4Very high98.2Very high37 Ų3751.6 Ų51.631%0.30630%0.3SS..Hα-helixtrans-88.8-25.1-175.400000114I339 N343 T363 I364I339-A367 HydrophobicContact CD1-CB 3.91Å; I339-A367 HydrophobicContact CG1-CB 4.32Å; I339-A367 HydrophobicContact CG2-CB 3.78Å; N343-A367 PolarHBondContact ND2-O 2.93Å; T363-A367 WeakPolarHBondContact O-CB 3.45Å; T363-A367 PolarHBondContact O-N 2.76Å; I364-A367 PolarHBondContact O-N 3.01Å; I364-A367 VanDerWaalsContact O-N 3.07Å
368L98.5Very high98.2Very high11 Ų1149.8 Ų49.86%0.05829%0.289CS..  trans-71132.2-177.1-74.9170.7000112.2I198 A342 N343 A351 I364 A370 V373I198-L368 HydrophobicContact CD1-CD1 4.37Å; I198-L368 HydrophobicContact CD1-CD2 4.19Å; A342-L368 HydrophobicContact CB-CD2 3.61Å; N343-L368 WeakPolarHBondContact OD1-CA 3.37Å; A351-L368 HydrophobicContact CB-CD1 3.73Å; I364-L368 HydrophobicContact CG2-CD1 3.42Å; I364-L368 VanDerWaalsContact CG2-CD1 3.42Å; I364-L368 HydrophobicContact CG2-CG 3.88Å; I364-L368 WeakPolarHBondContact O-CB 3.18Å; I364-L368 VanDerWaalsContact O-CG 3.24Å; I364-L368 WeakPolarHBondContact O-CG 3.34Å; I364-L368 PolarHBondContact O-N 3.29Å; L368-A370 VanDerWaalsContact C-N 3.3Å; L368-A370 PolarHBondContact O-N 2.81Å; L368-A370 VanDerWaalsContact O-N 3.16Å; L368-V373 HydrophobicContact CB-CG2 4.21Å; L368-V373 HydrophobicContact CD1-CG1 3.94Å; L368-V373 HydrophobicContact CD1-CG2 4.49Å
369Q98.8Very high98.1Very high88 Ų8845.8 Ų45.841%0.41127%0.269SS..  trans-91.461.3179.2-63.2175-9.400110.5N343 G348 Y390N343-Q369 PolarHBondContact OD1-N 2.87Å; G348-Q369 WeakPolarHBondContact CA-O 3.35Å; Q369-Y390 HydrophobicContact CB-CD2 4.33Å
370A98.7Very high98.1Very high11 Ų1143 Ų439%0.09126%0.262CS..  trans-129.2151.9179.700000111.5G348 A351 L368 V373 Y390G348-A370 WeakPolarHBondContact O-CA 3.36Å; A351-A370 HydrophobicContact CB-CB 3.86Å; L368-A370 VanDerWaalsContact C-N 3.3Å; L368-A370 PolarHBondContact O-N 2.81Å; L368-A370 VanDerWaalsContact O-N 3.16Å; A370-V373 HydrophobicContact CB-CG2 4.32Å; A370-Y390 WeakPolarHBondContact O-CE1 3.46Å
371G98.4Very high98Very high21 Ų2144.1 Ų44.122%0.21627%0.27CS..SBendtrans-75-23.9-18000000115.2G348 L349 G388G348-G371 PolarHBondContact O-N 3.27Å; G348-G371 VanDerWaalsContact O-N 3.09Å; L349-G371 WeakPolarHBondContact O-CA 3.39Å; L349-G371 PolarHBondContact O-N 3.01Å; G371-G388 VanDerWaalsContact CA-O 3.26Å; G371-G388 WeakPolarHBondContact CA-O 3.38Å
372T98.8Very high97.9Very high26 Ų2646.3 Ų46.316%0.1629%0.285CS..EExtended strand (participates in β ladder)trans-138.2133.2171.4-60.10000108.7L349 V350 A351 W374L349-T372 PolarHBondContact O-N 2.8Å; V350-T372 CarbonylContact C-O 3.57Å; V350-T372 WeakPolarHBondContact CA-O 3.48Å; A351-T372 PolarHBondContact N-O 3.28Å; T372-W374 HydrophobicContact CG2-CD2 4.37Å; T372-W374 HydrophobicContact CG2-CZ2 4.13Å
373V98.8Very high97.9Very high40 Ų4041.3 Ų41.324%0.24226%0.261CS..EExtended strand (participates in β ladder)trans-121.9120.3173.9-172.60000108.7A351 T365 L368 A370A351-V373 HydrophobicContact CB-CG2 4.44Å; A351-V373 CarbonylContact O-C 3.49Å; A351-V373 WeakPolarHBondContact O-CA 3.42Å; T365-V373 HydrophobicContact CG2-CB 4.29Å; T365-V373 HydrophobicContact CG2-CG1 3.57Å; L368-V373 HydrophobicContact CB-CG2 4.21Å; L368-V373 HydrophobicContact CD1-CG1 3.94Å; L368-V373 HydrophobicContact CD1-CG2 4.49Å; A370-V373 HydrophobicContact CB-CG2 4.32Å
374W98.8Very high97.9Very high15 Ų1543 Ų436%0.05726%0.264CS..EExtended strand (participates in β ladder)trans-94.2143.9175.1-63.3-58.4000111.4T225 V350 A351 A352 V353 T372 C377 F378 N379 A380 L381T225-W374 HydrophobicContact CG2-CH2 4.13Å; V350-W374 HydrophobicContact CB-CH2 4.08Å; V350-W374 HydrophobicContact CB-CZ3 3.89Å; V350-W374 HydrophobicContact CG1-CH2 3.9Å; V350-W374 HydrophobicContact CG1-CZ2 4.47Å; V350-W374 HydrophobicContact CG1-CZ3 4.25Å; V350-W374 HydrophobicContact CG2-CH2 4.03Å; V350-W374 HydrophobicContact CG2-CZ3 3.65Å; A351-W374 PolarHBondContact O-N 3.07Å; A352-W374 CarbonylContact C-O 3.54Å; A352-W374 VanDerWaalsContact CA-O 3.23Å; A352-W374 WeakPolarHBondContact CA-O 3.39Å; A352-W374 HydrophobicContact CB-CB 4.13Å; A352-W374 HydrophobicContact CB-CE3 4.47Å; V353-W374 PolarHBondContact N-O 3Å; T372-W374 HydrophobicContact CG2-CD2 4.37Å; T372-W374 HydrophobicContact CG2-CZ2 4.13Å; W374-C377 WeakPolarHBondContact CB-O 3.11Å; W374-F378 HydrophobicContact CE3-CD1 4.02Å; W374-F378 HydrophobicContact CE3-CD2 4.03Å; W374-F378 HydrophobicContact CE3-CE1 4.16Å; W374-F378 HydrophobicContact CE3-CE2 4.14Å; W374-F378 AromaticContact CE3-CG 3.95Å; W374-F378 HydrophobicContact CE3-CG 3.95Å; W374-F378 HydrophobicContact CE3-CZ 4.2Å; W374-F378 HydrophobicContact CH2-CE1 4.48Å; W374-F378 AromaticContact CZ3-CD1 3.67Å; W374-F378 HydrophobicContact CZ3-CD1 3.67Å; W374-F378 HydrophobicContact CZ3-CD2 4.37Å; W374-F378 AromaticContact CZ3-CE1 3.53Å; W374-F378 HydrophobicContact CZ3-CE1 3.53Å; W374-F378 HydrophobicContact CZ3-CE2 4.23Å; W374-F378 HydrophobicContact CZ3-CG 4.09Å; W374-F378 AromaticContact CZ3-CZ 3.81Å; W374-F378 HydrophobicContact CZ3-CZ 3.81Å; W374-N379 VanDerWaalsContact CZ3-N 3.33Å; W374-A380 PolarHBondContact NE1-O 3.29Å; W374-L381 HydrophobicContact CZ2-CD2 3.9Å; W374-L381 HydrophobicContact CZ2-CG 4.14Å
375I98.8Very high98Very high67 Ų6746.4 Ų46.434%0.34429%0.287SS..EExtended strand (participates in β ladder)trans-116.4123.2174.9-54.3170000107.4V353 A361 T365 C377V353-I375 HydrophobicContact CG1-CB 4.31Å; V353-I375 HydrophobicContact CG1-CG1 3.86Å; V353-I375 HydrophobicContact CG1-CG2 4.31Å; V353-I375 CarbonylContact O-C 3.44Å; V353-I375 WeakPolarHBondContact O-CA 3.31Å; A361-I375 HydrophobicContact CB-CD1 4.31Å; A361-I375 HydrophobicContact CB-CG2 4.07Å; T365-I375 HydrophobicContact CG2-CD1 3.66Å; T365-I375 HydrophobicContact CG2-CG1 3.63Å; I375-C377 PolarHBondContact O-N 2.96Å; I375-C377 VanDerWaalsContact O-N 3.08Å; I375-C377 PolarHBondContact O-SG 2.76Å; I375-C377 VanDerWaalsContact O-SG 3.34Å
376N98.5Very high98.1Very high73 Ų7347.7 Ų47.739%0.3930%0.295SS..SBendtrans55.124.4179.1-62.3-35.9000115V353 F354 T355V353-N376 PolarHBondContact O-N 3.38Å; F354-N376 VanDerWaalsContact CA-OD1 3.26Å; F354-N376 WeakPolarHBondContact CA-OD1 3.44Å; F354-N376 VanDerWaalsContact CE1-C 3.46Å; T355-N376 PolarHBondContact N-OD1 3.47Å; T355-N376 PolarHBondContact O-ND2 3.44Å; T355-N376 PolarHBondContact O-OD1 3.35Å
377C98.5Very high98.2Very high40 Ų4043.7 Ų43.727%0.2726%0.262SS..  trans-155.6169174.358.20000110.1W374 I375W374-C377 WeakPolarHBondContact CB-O 3.11Å; I375-C377 PolarHBondContact O-N 2.96Å; I375-C377 VanDerWaalsContact O-N 3.08Å; I375-C377 PolarHBondContact O-SG 2.76Å; I375-C377 VanDerWaalsContact O-SG 3.34Å
378F98.3Very high98.2Very high13 Ų1342 Ų426%0.05725%0.247CC..SBendtrans-143.7148.1174.8-150.2-80.6000110.5N197 T225 G227 V350 A352 W374 A380N197-F378 HydrophobicContact CB-CD2 4.42Å; N197-F378 HydrophobicContact CB-CE2 3.88Å; T225-F378 WeakPolarHBondContact O-CE1 3.23Å; T225-F378 WeakPolarHBondContact O-CZ 3.14Å; G227-F378 VanDerWaalsContact CA-CZ 3.43Å; V350-F378 HydrophobicContact CG2-CZ 4.41Å; A352-F378 HydrophobicContact CB-CD2 3.33Å; A352-F378 HydrophobicContact CB-CE2 3.49Å; A352-F378 VanDerWaalsContact CB-CE2 3.49Å; A352-F378 HydrophobicContact CB-CG 4.49Å; W374-F378 HydrophobicContact CE3-CD1 4.02Å; W374-F378 HydrophobicContact CE3-CD2 4.03Å; W374-F378 HydrophobicContact CE3-CE1 4.16Å; W374-F378 HydrophobicContact CE3-CE2 4.14Å; W374-F378 AromaticContact CE3-CG 3.95Å; W374-F378 HydrophobicContact CE3-CG 3.95Å; W374-F378 HydrophobicContact CE3-CZ 4.2Å; W374-F378 HydrophobicContact CH2-CE1 4.48Å; W374-F378 AromaticContact CZ3-CD1 3.67Å; W374-F378 HydrophobicContact CZ3-CD1 3.67Å; W374-F378 HydrophobicContact CZ3-CD2 4.37Å; W374-F378 AromaticContact CZ3-CE1 3.53Å; W374-F378 HydrophobicContact CZ3-CE1 3.53Å; W374-F378 HydrophobicContact CZ3-CE2 4.23Å; W374-F378 HydrophobicContact CZ3-CG 4.09Å; W374-F378 AromaticContact CZ3-CZ 3.81Å; W374-F378 HydrophobicContact CZ3-CZ 3.81Å; F378-A380 PolarHBondContact O-N 2.76Å; F378-A380 VanDerWaalsContact O-N 3.16Å
379N96.9Very high98.1Very high39 Ų3941.6 Ų41.621%0.20925%0.246CC..SBendtrans56.525.9-177.6-72.5-29.6000114.5T225 W374 L381T225-N379 VanDerWaalsContact CB-OD1 3.32Å; T225-N379 WeakPolarHBondContact CB-OD1 3.31Å; T225-N379 PolarHBondContact OG1-OD1 2.74Å; W374-N379 VanDerWaalsContact CZ3-N 3.33Å; N379-L381 PolarHBondContact O-N 2.86Å
380A97.2Very high98.1Very high58 Ų5842.6 Ų42.648%0.47925%0.247SC..  trans-76.467.8173.700000110.5W374 F378W374-A380 PolarHBondContact NE1-O 3.29Å; F378-A380 PolarHBondContact O-N 2.76Å; F378-A380 VanDerWaalsContact O-N 3.16Å
381L96.4Very high98.1Very high66 Ų6646 Ų4635%0.34626%0.259SS..  trans-86.3140.9177.4-67.6173.9000110.6W99 W374 N379 F387W99-L381 HydrophobicContact CH2-CD1 4.3Å; W374-L381 HydrophobicContact CZ2-CD2 3.9Å; W374-L381 HydrophobicContact CZ2-CG 4.14Å; N379-L381 PolarHBondContact O-N 2.86Å; L381-F387 HydrophobicContact CD2-CD2 3.46Å; L381-F387 VanDerWaalsContact CD2-CD2 3.46Å; L381-F387 HydrophobicContact CD2-CE2 3.79Å; L381-F387 HydrophobicContact CD2-CG 4.32Å
382S96.3Very high98.1Very high54 Ų5448 Ų4838%0.37826%0.264SS..  trans-146.6141.8175.7-154.70000109.8Q384 C385S382-Q384 PolarHBondContact O-N 2.87Å; S382-Q384 VanDerWaalsContact O-N 3.1Å; S382-Q384 PolarHBondContact OG-OE1 2.85Å; S382-C385 PolarHBondContact O-N 3.03Å
383T97.6Very high98.1Very high11 Ų1146.8 Ų46.87%0.06726%0.256CS..THydrogen-bonded Turntrans-59.2-26.5-175.3-47.70000113.5T50 Y53 F54 C385 L399 G400T50-T383 HydrophobicContact CG2-CG2 4.17Å; T50-T383 PolarHBondContact OG1-OG1 2.85Å; T50-T383 VanDerWaalsContact OG1-OG1 3.08Å; Y53-T383 HydrophobicContact CD1-CG2 3.5Å; Y53-T383 HydrophobicContact CD2-CG2 4.37Å; Y53-T383 HydrophobicContact CE1-CG2 4.29Å; Y53-T383 HydrophobicContact CG-CG2 3.54Å; F54-T383 HydrophobicContact CE2-CG2 4.3Å; T383-C385 VanDerWaalsContact C-N 3.26Å; T383-C385 PolarHBondContact O-N 2.86Å; T383-L399 HydrophobicContact CG2-CD2 4.06Å; T383-G400 WeakPolarHBondContact O-CA 3.29Å; T383-G400 PolarHBondContact O-N 2.91Å
384Q98.4Very high98.1Very high112 Ų11245 Ų4552%0.52325%0.247SC..THydrogen-bonded Turntrans-70.4-24.5179.3-57.185.4-22.600112.5Y53 S382 G400Y53-Q384 HydrophobicContact CD2-CG 4.07Å; Y53-Q384 HydrophobicContact CE2-CB 4.06Å; Y53-Q384 HydrophobicContact CE2-CG 3.68Å; S382-Q384 PolarHBondContact O-N 2.87Å; S382-Q384 VanDerWaalsContact O-N 3.1Å; S382-Q384 PolarHBondContact OG-OE1 2.85Å; Q384-G400 WeakPolarHBondContact O-CA 3.37Å
385C98.4Very high98.1Very high72 Ų7247.8 Ų47.849%0.48626%0.262SS..SBendtrans-94.9133.4-175.2-600000109.7S382 T383 L399S382-C385 PolarHBondContact O-N 3.03Å; T383-C385 VanDerWaalsContact C-N 3.26Å; T383-C385 PolarHBondContact O-N 2.86Å; C385-L399 VanDerWaalsContact O-CB 3.25Å; C385-L399 WeakPolarHBondContact O-CB 3.24Å
386P98.4Very high98.1Very high59 Ų5945.7 Ų45.738%0.38326%0.257SS..  trans-65.6143.9172.429.9-34.8000110.2R397 E398P386-R397 HydrophobicContact CB-CB 4.24Å; P386-R397 HydrophobicContact CB-CG 4.45Å; P386-E398 CarbonylContact C-O 3.51Å; P386-E398 WeakPolarHBondContact CA-O 3.19Å
387F98.8Very high98.1Very high5 Ų545.2 Ų45.22%0.02225%0.25CS..BIsolated β-bridgetrans-130.1142.3177.5178.9-91.6000109.4W99 E190 T225 L349 V350 L381 R397 E398 L399W99-F387 HydrophobicContact CH2-CD1 4.22Å; W99-F387 HydrophobicContact CH2-CG 4.36Å; W99-F387 HydrophobicContact CZ3-CB 4.45Å; W99-F387 AromaticContact CZ3-CD1 3.76Å; W99-F387 HydrophobicContact CZ3-CD1 3.76Å; W99-F387 HydrophobicContact CZ3-CE1 4.32Å; W99-F387 HydrophobicContact CZ3-CG 4.24Å; E190-F387 WeakPolarHBondContact OE2-CE1 3.3Å; T225-F387 HydrophobicContact CG2-CE2 3.65Å; T225-F387 HydrophobicContact CG2-CZ 3.59Å; L349-F387 HydrophobicContact CD1-CE1 3.87Å; L349-F387 HydrophobicContact CD1-CZ 3.77Å; L349-F387 HydrophobicContact CD2-CE1 4.41Å; L349-F387 HydrophobicContact CD2-CZ 3.91Å; L349-F387 HydrophobicContact CG-CE1 4.37Å; L349-F387 HydrophobicContact CG-CZ 3.81Å; V350-F387 HydrophobicContact CG1-CE2 3.61Å; V350-F387 HydrophobicContact CG1-CZ 4.24Å; L381-F387 HydrophobicContact CD2-CD2 3.46Å; L381-F387 VanDerWaalsContact CD2-CD2 3.46Å; L381-F387 HydrophobicContact CD2-CE2 3.79Å; L381-F387 HydrophobicContact CD2-CG 4.32Å; F387-R397 CarbonylContact O-C 3.59Å; F387-R397 WeakPolarHBondContact O-CA 3.36Å; F387-R397 WeakPolarHBondContact O-CD 3.23Å; F387-E398 PolarHBondContact N-O 3.02Å; F387-E398 PolarHBondContact O-N 2.66Å; F387-L399 HydrophobicContact CB-CD1 4.26Å
388G98.4Very high98.1Very high0 Ų043.8 Ų43.80%024%0.24CC..  trans155.5163.7170.800000114.3E190 G371 R397E190-G388 WeakPolarHBondContact OE1-CA 3.45Å; E190-G388 WeakPolarHBondContact OE2-CA 3.16Å; G371-G388 VanDerWaalsContact CA-O 3.26Å; G371-G388 WeakPolarHBondContact CA-O 3.38Å; G388-R397 VanDerWaalsContact O-CZ 3.28Å; G388-R397 PolarHBondContact O-NH1 3.44Å
389G98.1Very high98.2Very high3 Ų343.3 Ų43.33%0.03124%0.237CC..  trans-79153.2-165.500000116.9R397G389-R397 PolarHBondContact O-NH1 2.89Å
390Y98.5Very high98.2Very high110 Ų11041.4 Ų41.443%0.43123%0.227SC..SBendtrans-85.7166.4152.2-83.946.5000109.6G348 Q369 A370 M392 S393 R397G348-Y390 WeakPolarHBondContact O-CB 3.22Å; G348-Y390 PolarHBondContact O-N 2.82Å; Q369-Y390 HydrophobicContact CB-CD2 4.33Å; A370-Y390 WeakPolarHBondContact O-CE1 3.46Å; Y390-M392 PolarHBondContact O-N 2.59Å; Y390-S393 WeakPolarHBondContact O-CB 3.49Å; Y390-S393 PolarHBondContact O-N 3.15Å; Y390-R397 VanDerWaalsContact CE1-NH2 3.29Å
391K98.6Very high98.3Very high81 Ų8143.7 Ų43.735%0.35223%0.228SC..G310 helixtrans50.8-127.7171.5-57174.9178.6172.80112.1N343 S345 D346 S393N343-K391 PolarHBondContact O-NZ 2.77Å; S345-K391 WeakPolarHBondContact O-CD 3.35Å; S345-K391 PolarHBondContact O-NZ 3.3Å; D346-K391 WeakPolarHBondContact O-CB 3.26Å; K391-S393 VanDerWaalsContact C-N 3.31Å
392M98.8Very high98.3Very high64 Ų6442.6 Ų42.632%0.31523%0.226SC..G310 helixtrans-87.85.3-179.3-61.4-176.544.400113.9T169 L191 D346 Y390 G394T169-M392 HydrophobicContact CG2-CB 4.04Å; T169-M392 HydrophobicContact CG2-CE 3.58Å; T169-M392 WeakPolarHBondContact CG2-O 3.41Å; T169-M392 PolarHBondContact OG1-O 3.18Å; L191-M392 WeakPolarHBondContact CD1-O 3.49Å; D346-M392 HydrophobicContact CB-SD 3.97Å; D346-M392 WeakPolarHBondContact O-CB 3.27Å; D346-M392 PolarHBondContact O-N 2.83Å; Y390-M392 PolarHBondContact O-N 2.59Å; M392-G394 VanDerWaalsContact C-N 3.32Å
393S98.8Very high98.4Very high0 Ų040.1 Ų40.10%021%0.209CC..G310 helixtrans-81.9-8.8172.4-72.20000113.3L191 G192 Y347 G348 L349 Y390 K391L191-S393 WeakPolarHBondContact CA-O 3.14Å; L191-S393 WeakPolarHBondContact CB-O 3.47Å; L191-S393 PolarHBondContact N-O 2.91Å; G192-S393 WeakPolarHBondContact O-CB 3.41Å; G192-S393 PolarHBondContact O-OG 3.47Å; Y347-S393 WeakPolarHBondContact CA-OG 3.25Å; Y347-S393 WeakPolarHBondContact CB-OG 3.4Å; Y347-S393 WeakPolarHBondContact CD1-OG 3.45Å; G348-S393 PolarHBondContact N-OG 2.91Å; L349-S393 PolarHBondContact N-OG 3.29Å; Y390-S393 WeakPolarHBondContact O-CB 3.49Å; Y390-S393 PolarHBondContact O-N 3.15Å; K391-S393 VanDerWaalsContact C-N 3.31Å
394G98.6Very high98.5Very high4 Ų440 Ų404%0.04121%0.208CC..EExtended strand (participates in β ladder)trans160.2173.6173.200000116L189 M392L189-G394 CarbonylContact O-C 3.54Å; L189-G394 WeakPolarHBondContact O-CA 3.23Å; M392-G394 VanDerWaalsContact C-N 3.32Å
395N98.8Very high98.4Very high72 Ų7242.6 Ų42.639%0.38521%0.213SC..EExtended strand (participates in β ladder)trans-135.1128173-62.9153.7000109.3I187 T188 L189I187-N395 HydrophobicContact CD1-CB 4.47Å; T188-N395 CarbonylContact C-O 3.5Å; T188-N395 VanDerWaalsContact CA-O 3.32Å; T188-N395 WeakPolarHBondContact CA-O 3.41Å; L189-N395 PolarHBondContact N-O 3.34Å; L189-N395 PolarHBondContact O-N 3.1Å
396G98.4Very high98.4Very high23 Ų2342.1 Ų42.124%0.23720%0.203CC..SBendtrans90.1-173-173.100000112.8E406G396-E406 WeakPolarHBondContact CA-OE1 3.32Å
397R98.7Very high98.4Very high64 Ų6439.6 Ų39.624%0.24219%0.186CC..  trans-135.4146.5173.2-66.2-66179.5-93.24.4109.8P386 F387 G388 G389 Y390 G403P386-R397 HydrophobicContact CB-CB 4.24Å; P386-R397 HydrophobicContact CB-CG 4.45Å; F387-R397 CarbonylContact O-C 3.59Å; F387-R397 WeakPolarHBondContact O-CA 3.36Å; F387-R397 WeakPolarHBondContact O-CD 3.23Å; G388-R397 VanDerWaalsContact O-CZ 3.28Å; G388-R397 PolarHBondContact O-NH1 3.44Å; G389-R397 PolarHBondContact O-NH1 2.89Å; Y390-R397 VanDerWaalsContact CE1-NH2 3.29Å; R397-G403 WeakPolarHBondContact O-CA 3.4Å
398E98.8Very high98.4Very high10 Ų1039.9 Ų39.95%0.04719%0.188CC..BIsolated β-bridgetrans-106.8169167.7-57.1-159.612800110.6W99 K100 E190 P386 F387W99-E398 HydrophobicContact CE3-CB 4.37Å; K100-E398 VanDerWaalsContact CD-OE1 3.22Å; K100-E398 WeakPolarHBondContact CD-OE1 3.36Å; K100-E398 WeakPolarHBondContact CE-OE1 3.28Å; K100-E398 IonicContact NZ-OE1 2.59Å; K100-E398 PolarHBondContact NZ-OE1 3.37Å; K100-E398 IonicContact NZ-OE2 3.29Å; K100-E398 PolarHBondContact NZ-OE2 3.48Å; E190-E398 HydrophobicContact CG-CG 3.88Å; P386-E398 CarbonylContact C-O 3.51Å; P386-E398 WeakPolarHBondContact CA-O 3.19Å; F387-E398 PolarHBondContact N-O 3.02Å; F387-E398 PolarHBondContact O-N 2.66Å
399L98.5Very high98.4Very high2 Ų243.6 Ų43.61%0.0121%0.206CC..SBendtrans60.4-179.8-176.3-53.6179.1000113.3T50 F54 W99 T383 C385 F387 G403T50-L399 HydrophobicContact CG2-CD2 4.31Å; F54-L399 HydrophobicContact CE2-CD2 4.34Å; W99-L399 HydrophobicContact CD2-CD1 4.13Å; W99-L399 HydrophobicContact CD2-CD2 3.72Å; W99-L399 HydrophobicContact CD2-CG 4Å; W99-L399 HydrophobicContact CE3-CD1 4.19Å; W99-L399 HydrophobicContact CE3-CD2 4.25Å; W99-L399 HydrophobicContact CE3-CG 4.04Å; W99-L399 HydrophobicContact CG-CD2 3.84Å; W99-L399 HydrophobicContact CH2-CD1 3.62Å; W99-L399 HydrophobicContact CH2-CG 4.38Å; W99-L399 HydrophobicContact CZ2-CD1 3.56Å; W99-L399 HydrophobicContact CZ2-CD2 4.48Å; W99-L399 HydrophobicContact CZ2-CG 4.34Å; W99-L399 HydrophobicContact CZ3-CD1 3.94Å; W99-L399 HydrophobicContact CZ3-CG 4.23Å; T383-L399 HydrophobicContact CG2-CD2 4.06Å; C385-L399 VanDerWaalsContact O-CB 3.25Å; C385-L399 WeakPolarHBondContact O-CB 3.24Å; F387-L399 HydrophobicContact CB-CD1 4.26Å; L399-G403 WeakPolarHBondContact O-CA 3.38Å; L399-G403 PolarHBondContact O-N 3.09Å
400G98.4Very high98.5Very high0 Ų047.9 Ų47.90%023%0.225CC..THydrogen-bonded Turntrans56.8-167.1-179.200000113.5Y53 F54 T383 Q384 S402Y53-G400 WeakPolarHBondContact OH-CA 3.38Å; F54-G400 WeakPolarHBondContact CE1-O 3.36Å; T383-G400 WeakPolarHBondContact O-CA 3.29Å; T383-G400 PolarHBondContact O-N 2.91Å; Q384-G400 WeakPolarHBondContact O-CA 3.37Å; G400-S402 VanDerWaalsContact C-N 3.34Å
401E98.3Very high98.5Very high106 Ų10647 Ų4750%0.49522%0.223SC..THydrogen-bonded Turntrans-69.7-34.9169.9-171.5-177.6136.800111.6Y57 G403 L404Y57-E401 HydrophobicContact CE1-CB 4.2Å; Y57-E401 HydrophobicContact CE1-CG 3.97Å; E401-G403 PolarHBondContact O-N 3.26Å; E401-L404 WeakPolarHBondContact O-CB 3.28Å; E401-L404 PolarHBondContact O-N 2.98Å
402S97.3Very high98.5Very high43 Ų4347 Ų4730%0.30123%0.231SC..Hα-helixtrans-57.9-37.3-178.5-530000112.5G400 L404 R405G400-S402 VanDerWaalsContact C-N 3.34Å; S402-L404 PolarHBondContact O-N 3.48Å; S402-R405 WeakPolarHBondContact O-CB 3.49Å; S402-R405 PolarHBondContact O-N 3.49Å; S402-R405 VanDerWaalsContact O-N 3.13Å
403G98.1Very high98.5Very high1 Ų146.4 Ų46.41%0.0123%0.228CC..Hα-helixtrans-62.5-24.9177.800000114.1R397 L399 E401 R405 Y407R397-G403 WeakPolarHBondContact O-CA 3.4Å; L399-G403 WeakPolarHBondContact O-CA 3.38Å; L399-G403 PolarHBondContact O-N 3.09Å; E401-G403 PolarHBondContact O-N 3.26Å; G403-R405 VanDerWaalsContact C-N 3.34Å; G403-Y407 WeakPolarHBondContact O-CD2 3.39Å
404L98.6Very high98.5Very high9 Ų949.5 Ų49.55%0.04725%0.247CC..Hα-helixtrans-68.9-34.8176.2-63.3166.6000111.9F54 Y57 I61 P103 A106 C107 E401 S402 E406 Y407 T408F54-L404 HydrophobicContact CD1-CD2 3.7Å; F54-L404 HydrophobicContact CD1-CG 4.32Å; F54-L404 HydrophobicContact CE1-CD2 3.73Å; F54-L404 HydrophobicContact CE1-CG 3.94Å; Y57-L404 HydrophobicContact CD1-CD1 3.18Å; Y57-L404 HydrophobicContact CD2-CD1 4.43Å; Y57-L404 HydrophobicContact CE1-CD1 3.75Å; Y57-L404 HydrophobicContact CG-CD1 3.55Å; I61-L404 HydrophobicContact CD1-CD2 4.47Å; I61-L404 HydrophobicContact CG1-CD1 4.38Å; P103-L404 HydrophobicContact CB-CD2 4.26Å; A106-L404 HydrophobicContact CB-CD2 4.4Å; C107-L404 VanDerWaalsContact SG-CD2 3.58Å; E401-L404 WeakPolarHBondContact O-CB 3.28Å; E401-L404 PolarHBondContact O-N 2.98Å; S402-L404 PolarHBondContact O-N 3.48Å; L404-E406 PolarHBondContact O-N 3.31Å; L404-Y407 CarbonylContact O-C 3.48Å; L404-Y407 WeakPolarHBondContact O-CA 3.48Å; L404-Y407 PolarHBondContact O-N 2.87Å; L404-T408 PolarHBondContact O-N 2.81Å
405R97.5Very high98.5Very high167 Ų16753 Ų5363%0.6326%0.264SS*.Hα-helixtrans-59.4-35.7-177.9-60.4-175.2179.9-174.2-0.4111.2S402 G403 Y407 T408S402-R405 WeakPolarHBondContact O-CB 3.49Å; S402-R405 PolarHBondContact O-N 3.49Å; S402-R405 VanDerWaalsContact O-N 3.13Å; G403-R405 VanDerWaalsContact C-N 3.34Å; R405-Y407 PolarHBondContact O-N 3Å; R405-T408 PolarHBondContact O-N 2.92Å; R405-T408 PolarHBondContact O-OG1 2.78Å
406E98.5Very high98.4Very high62 Ų6255.9 Ų55.929%0.2927%0.273SS..THydrogen-bonded Turntrans-69-11.4177.5-57.2-58167.100113.9I81 K162 T188 G396 L404I81-E406 WeakPolarHBondContact CD1-O 3.49Å; K162-E406 WeakPolarHBondContact CD-O 3.48Å; K162-E406 WeakPolarHBondContact CE-O 3.24Å; K162-E406 PolarHBondContact NZ-O 3.02Å; T188-E406 HydrophobicContact CG2-CB 3.9Å; T188-E406 HydrophobicContact CG2-CG 3.8Å; T188-E406 VanDerWaalsContact CG2-OE2 3.31Å; T188-E406 WeakPolarHBondContact CG2-OE2 3.23Å; G396-E406 WeakPolarHBondContact CA-OE1 3.32Å; L404-E406 PolarHBondContact O-N 3.31Å
407Y98.9Very high98.4Very high5 Ų558.1 Ų58.12%0.0228%0.278CS..THydrogen-bonded Turntrans-116.113.2179.9-73.1-73.2000113.4C84 Q86 P103 A104 C107 N109 K162 A164 G403 L404 R405C84-Y407 HydrophobicContact CB-CE1 4.3Å; Q86-Y407 PolarHBondContact NE2-OH 2.64Å; P103-Y407 HydrophobicContact CB-CD2 3.84Å; P103-Y407 HydrophobicContact CB-CE2 4.08Å; P103-Y407 HydrophobicContact CG-CD2 4.05Å; P103-Y407 HydrophobicContact CG-CE2 3.75Å; A104-Y407 HydrophobicContact CB-CD1 3.65Å; A104-Y407 HydrophobicContact CB-CE1 3.6Å; A104-Y407 HydrophobicContact CB-CG 4.23Å; C107-Y407 WeakPolarHBondContact CB-O 3.3Å; N109-Y407 PolarHBondContact ND2-O 3.43Å; K162-Y407 HydrophobicContact CD-CD1 3.93Å; K162-Y407 HydrophobicContact CD-CE1 3.93Å; K162-Y407 VanDerWaalsContact CE-CE1 3.46Å; A164-Y407 WeakPolarHBondContact CB-OH 3.41Å; G403-Y407 WeakPolarHBondContact O-CD2 3.39Å; L404-Y407 CarbonylContact O-C 3.48Å; L404-Y407 WeakPolarHBondContact O-CA 3.48Å; L404-Y407 PolarHBondContact O-N 2.87Å; R405-Y407 PolarHBondContact O-N 3Å
408T98.8Very high98.3Very high12 Ų1260.2 Ų60.27%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-123.6143.6177580000112.7I61 E79 C107 R186 L404 R405I61-T408 HydrophobicContact CG2-CG2 4.13Å; E79-T408 CarbonylContact O-C 3.45Å; E79-T408 VanDerWaalsContact O-CA 3.27Å; E79-T408 WeakPolarHBondContact O-CA 3.46Å; C107-T408 HydrophobicContact CB-CG2 4.16Å; R186-T408 PolarHBondContact NH1-O 2.63Å; L404-T408 PolarHBondContact O-N 2.81Å; R405-T408 PolarHBondContact O-N 2.92Å; R405-T408 PolarHBondContact O-OG1 2.78Å
409E98.6Very high98.1Very high77 Ų7763.1 Ų63.136%0.3633%0.331SS..EExtended strand (participates in β ladder)trans-103.5125.2168.9-173.164.9-107.700108.7E79 I81 R186E79-E409 PolarHBondContact N-O 3.31Å; E79-E409 PolarHBondContact O-N 2.85Å; I81-E409 HydrophobicContact CG1-CB 4.4Å; R186-E409 IonicContact CZ-OE1 3.46Å; R186-E409 IonicContact CZ-OE2 3.93Å; R186-E409 IonicContact NE-OE2 2.63Å; R186-E409 PolarHBondContact NE-OE2 2.86Å; R186-E409 IonicContact NH1-OE2 2.77Å; R186-E409 IonicContact NH2-OE1 2.78Å; R186-E409 PolarHBondContact NH2-OE1 2.99Å; R186-E409 IonicContact NH2-OE2 2.92Å; R186-E409 PolarHBondContact NH2-OE2 2.85Å
410Q98.3Very high98Very high93 Ų9366.7 Ų66.744%0.43535%0.346SS..EExtended strand (participates in β ladder)trans-92.4124-176.7-171.3175.5-33.800110.2T76 Y78T76-Q410 HydrophobicContact CG2-CG 4.3Å; Y78-Q410 HydrophobicContact CD1-CB 3.98Å; Y78-Q410 HydrophobicContact CD1-CG 4.17Å; Y78-Q410 HydrophobicContact CE1-CB 3.69Å; Y78-Q410 HydrophobicContact CE1-CG 3.67Å; Y78-Q410 VanDerWaalsContact CE1-OE1 3.26Å; Y78-Q410 PolarHBondContact OH-OE1 3.18Å
411K98.7Very high97.8Very high92 Ų9273.2 Ų73.240%0.438%0.381SS..EExtended strand (participates in β ladder)trans-113.1123.8175-176.2-179.8-65.8162.70110.2T76 R77 E79 I413T76-K411 CarbonylContact C-O 3.6Å; T76-K411 VanDerWaalsContact CA-O 3.23Å; T76-K411 WeakPolarHBondContact CA-O 3.47Å; R77-K411 PolarHBondContact N-O 3.36Å; R77-K411 PolarHBondContact O-N 2.55Å; E79-K411 WeakPolarHBondContact OE1-CE 3.48Å; E79-K411 IonicContact OE1-NZ 2.72Å; E79-K411 PolarHBondContact OE1-NZ 2.85Å; E79-K411 VanDerWaalsContact OE2-CE 3.28Å; E79-K411 WeakPolarHBondContact OE2-CE 3.3Å; E79-K411 IonicContact OE2-NZ 2.81Å; E79-K411 PolarHBondContact OE2-NZ 2.91Å; K411-I413 HydrophobicContact CG-CG1 4.4Å
412T98.8Very high97.4Very high82 Ų8277.2 Ų77.250%0.50342%0.421SS..EExtended strand (participates in β ladder)trans-90.1130.2171.7-58.50000109.8T74T74-T412 HydrophobicContact CG2-CG2 3.66Å
413I98.8Very high97.4Very high50 Ų5079 Ų7926%0.25643%0.427SS..EExtended strand (participates in β ladder)trans-117.3124.9175.7-62.4166.2000107.6T74 F75 R77 K411 I415T74-I413 VanDerWaalsContact CA-O 3.3Å; T74-I413 WeakPolarHBondContact CA-O 3.41Å; F75-I413 HydrophobicContact CD2-CB 4.49Å; F75-I413 HydrophobicContact CD2-CD1 4.47Å; F75-I413 HydrophobicContact CE1-CB 4.2Å; F75-I413 HydrophobicContact CE1-CG2 3.93Å; F75-I413 HydrophobicContact CE2-CB 4.07Å; F75-I413 HydrophobicContact CE2-CD1 3.65Å; F75-I413 HydrophobicContact CE2-CG1 4.42Å; F75-I413 HydrophobicContact CE2-CG2 4.39Å; F75-I413 HydrophobicContact CZ-CB 3.92Å; F75-I413 HydrophobicContact CZ-CD1 3.95Å; F75-I413 HydrophobicContact CZ-CG2 3.74Å; F75-I413 PolarHBondContact N-O 2.91Å; F75-I413 PolarHBondContact O-N 3.07Å; R77-I413 VanDerWaalsContact CD-CD1 3.49Å; R77-I413 HydrophobicContact CG-CD1 4.04Å; K411-I413 HydrophobicContact CG-CG1 4.4Å; I413-I415 HydrophobicContact CG2-CG1 4.26Å
414T98.6Very high97.4Very high66 Ų6683.1 Ų83.141%0.40545%0.449SS..EExtended strand (participates in β ladder)trans-125.6123.8-179.1-64.20000109.2M68 Y72 L73 T74M68-T414 HydrophobicContact SD-CG2 4.02Å; Y72-T414 HydrophobicContact CD1-CG2 3.71Å; Y72-T414 HydrophobicContact CG-CG2 3.97Å; L73-T414 WeakPolarHBondContact O-CA 3.42Å; T74-T414 WeakPolarHBondContact CG2-OG1 3.49Å; T74-T414 WeakPolarHBondContact OG1-CG2 3.29Å; T74-T414 PolarHBondContact OG1-OG1 3.44Å; T74-T414 VanDerWaalsContact OG1-OG1 3.07Å
415I98.6Very high97.3Very high78 Ų7887.2 Ų87.240%0.447%0.471SS..EExtended strand (participates in β ladder)trans-115.6125.7-178.4-55.9173.9000107.9Y72 L73 F75 I413 M417Y72-I415 CarbonylContact C-O 3.52Å; Y72-I415 VanDerWaalsContact CA-O 3.29Å; Y72-I415 WeakPolarHBondContact CA-O 3.48Å; L73-I415 HydrophobicContact CB-CB 4.47Å; L73-I415 PolarHBondContact N-O 3.36Å; L73-I415 PolarHBondContact O-N 2.92Å; F75-I415 HydrophobicContact CE1-CD1 4.21Å; I413-I415 HydrophobicContact CG2-CG1 4.26Å; I415-M417 HydrophobicContact CG2-SD 4.38Å; I415-M417 PolarHBondContact O-N 3.05Å
416K98.2Very high97.3Very high131 Ų13182.5 Ų82.557%0.5746%0.462SS*.EExtended strand (participates in β ladder)trans-64.1126.3171.8177.965.6-172.3174.50109.4Y72Y72-K416 HydrophobicContact CD1-CB 4.27Å; Y72-K416 HydrophobicContact CD1-CD 4.1Å; Y72-K416 HydrophobicContact CE1-CB 4.08Å; Y72-K416 HydrophobicContact CE1-CD 3.53Å; Y72-K416 HydrophobicContact CE1-CG 4.41Å
417M97.8Very high97.2Very high70 Ų7083.8 Ų83.835%0.34547%0.472SS..  trans-104.9153.5176.4-59.4-61.6-70.700110.2E71 L73 I415E71-M417 WeakPolarHBondContact CB-O 3.38Å; E71-M417 PolarHBondContact O-N 2.61Å; L73-M417 HydrophobicContact CB-CG 3.86Å; L73-M417 HydrophobicContact CB-SD 3.82Å; I415-M417 HydrophobicContact CG2-SD 4.38Å; I415-M417 PolarHBondContact O-N 3.05Å
418A96.1Very high97.1Very high109 Ų10989 Ų8990%0.90150%0.503SS*.SBendtrans-70-38.5170.200000111.3
419S95.4Very high97Very high70 Ų7094.5 Ų94.549%0.4953%0.533SS..  trans-155.4138.4173.4176.70000109.9E71E71-S419 VanDerWaalsContact OE2-C 3.29Å; E71-S419 WeakPolarHBondContact OE2-CA 3.38Å
420K96.3Very high96.9Very high78 Ų7895.8 Ų95.834%0.33955%0.547SS..  trans-110.1135175.7-175.2-168.279.3-162.90108.1M68 G70 E71M68-K420 PolarHBondContact O-NZ 2.67Å; G70-K420 WeakPolarHBondContact O-CD 3.19Å; G70-K420 WeakPolarHBondContact O-CE 3.39Å; G70-K420 PolarHBondContact O-NZ 2.81Å; E71-K420 WeakPolarHBondContact OE2-CB 3.41Å; E71-K420 PolarHBondContact OE2-N 2.89Å
421N94.1Very high96.8Very high136 Ų13696.1 Ų96.173%0.72756%0.556SS**  trans-121.4156.7174.4-66.3-80.8000109.4
422S89.8Confident96.6Very high191 Ų19196.5 Ų96.5100%1.33657%0.57SS**  trans-75.10177.558.20000112.9

Retrieved 422 of 422 residues in 222.1 ms (Link to these results)

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