A0A096MYZ5_PAPAN Loading...

Interferon-inducible protein AIM2

Also acts as a tumor suppressor independently of its role in inflammatory response. Able to suppress overt cell proliferation in enterocytes: restricts stem cell proliferation in the intestinal mucosa in an inflammasome-independent manner, contributing to a decrease in the likelihood of colorectal cancer development. AIM2 suppresses cell proliferation by inhibiting phosphorylation of AKT1 at 'Ser-473', preventing AKT1 activation and AKT-mTOR signaling pathway. Inhibits AKT1 phosphorylation both by inhibiting the activity of PRKDC/DNA-PK kinase and promoting dephosphorylation by PP2A phosphatase. Also acts as a key regulator of regulatory T-cells (Treg) homeostasis by promoting their stability: acts by preventing AKT1 activation. Its role in Treg homeostasis is important to restain autoimmune diseases.

AlphaFold DB , UniProt , Accession A0A096MYZ5, Species PAPAN (Papio anubis, Olive baboon), Gene AIM2, Length 343 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
1M64.9Low85.3Confident110 Ų11069 Ų6954%0.54235%0.347SS..  0-490-170.5-175.3-72.100110.3S3 K4 Y5 Y92M1-S3 PolarHBondContact O-N 3.19Å; M1-K4 PolarHBondContact O-N 3.19Å; M1-Y5 HydrophobicContact CG-CD2 3.94Å; M1-Y5 HydrophobicContact CG-CE2 3.71Å; M1-Y5 WeakPolarHBondContact O-CD2 3.2Å; M1-Y5 PolarHBondContact O-N 2.58Å; M1-Y5 HydrophobicContact SD-CE2 4.27Å; M1-Y92 VanDerWaalsContact CA-OH 3.23Å; M1-Y92 WeakPolarHBondContact CA-OH 3.4Å; M1-Y92 HydrophobicContact CB-CD1 4.39Å; M1-Y92 HydrophobicContact CB-CD2 4.28Å; M1-Y92 HydrophobicContact CB-CE1 4.01Å; M1-Y92 HydrophobicContact CB-CE2 3.88Å; M1-Y92 HydrophobicContact CE-CD1 3.77Å; M1-Y92 HydrophobicContact CE-CD2 4.02Å; M1-Y92 HydrophobicContact CE-CG 3.51Å; M1-Y92 HydrophobicContact CG-CD2 3.79Å; M1-Y92 HydrophobicContact CG-CE2 3.75Å; M1-Y92 HydrophobicContact CG-CG 4.22Å; M1-Y92 PolarHBondContact N-OH 3.08Å; M1-Y92 VanDerWaalsContact N-OH 3.08Å
2E71.9Confident85.7Confident147 Ų14765.3 Ų65.369%0.68733%0.331SS*.Hα-helixtrans-61.8-41.9-176.5-59.1-176.115500114.7K4 Y5 K6 V58E2-K4 VanDerWaalsContact C-N 3.3Å; E2-K4 PolarHBondContact O-N 2.91Å; E2-Y5 PolarHBondContact O-N 3.05Å; E2-K6 PolarHBondContact O-N 3.31Å; E2-V58 HydrophobicContact CB-CG1 4.13Å; E2-V58 HydrophobicContact CG-CG1 4.03Å
3S81.4Confident86.2Confident94 Ų9460.3 Ų60.366%0.65731%0.305SS*.Hα-helixtrans-57.3-38.8178158.60000113.2M1 K6 E7M1-S3 PolarHBondContact O-N 3.19Å; S3-K6 PolarHBondContact O-N 2.75Å; S3-E7 WeakPolarHBondContact O-CB 3.34Å; S3-E7 PolarHBondContact O-N 3.03Å
4K86.9Confident86.7Confident66 Ų6656 Ų5629%0.28728%0.284SS..Hα-helixtrans-72.5-37.2178.9-69.9-173.4175.9179.60113.2M1 E2 K6 E7 I8 V88 Y92M1-K4 PolarHBondContact O-N 3.19Å; E2-K4 VanDerWaalsContact C-N 3.3Å; E2-K4 PolarHBondContact O-N 2.91Å; K4-K6 VanDerWaalsContact C-N 3.34Å; K4-E7 PolarHBondContact O-N 2.94Å; K4-I8 WeakPolarHBondContact O-CB 3.44Å; K4-I8 WeakPolarHBondContact O-CD1 3.34Å; K4-I8 VanDerWaalsContact O-CG1 3.3Å; K4-I8 WeakPolarHBondContact O-CG1 3.32Å; K4-I8 PolarHBondContact O-N 3.28Å; K4-V88 HydrophobicContact CB-CG1 4.38Å; K4-V88 HydrophobicContact CB-CG2 4.26Å; K4-Y92 HydrophobicContact CD-CE2 4.37Å
5Y87.8Confident87.1Confident0 Ų057.5 Ų57.50%029%0.293CS..Hα-helixtrans-69.4-34.8175.2-78.6-61.8000111.9M1 E2 L9 V58 V59 V62 K85 V88 D89M1-Y5 HydrophobicContact CG-CD2 3.94Å; M1-Y5 HydrophobicContact CG-CE2 3.71Å; M1-Y5 WeakPolarHBondContact O-CD2 3.2Å; M1-Y5 PolarHBondContact O-N 2.58Å; M1-Y5 HydrophobicContact SD-CE2 4.27Å; E2-Y5 PolarHBondContact O-N 3.05Å; Y5-L9 VanDerWaalsContact O-CB 3.29Å; Y5-L9 WeakPolarHBondContact O-CB 3.28Å; Y5-L9 PolarHBondContact O-N 3.49Å; Y5-V58 VanDerWaalsContact CB-CG2 3.47Å; Y5-V59 HydrophobicContact CD2-CG2 3.79Å; Y5-V59 HydrophobicContact CE2-CG2 3.76Å; Y5-V59 HydrophobicContact CG-CG2 4.35Å; Y5-V62 HydrophobicContact CD1-CG2 4.16Å; Y5-K85 HydrophobicContact CE1-CB 4.36Å; Y5-K85 HydrophobicContact CE1-CG 3.66Å; Y5-K85 PolarHBondContact OH-O 3.22Å; Y5-V88 HydrophobicContact CD1-CG1 4.44Å; Y5-V88 HydrophobicContact CD2-CG1 4.08Å; Y5-V88 HydrophobicContact CE1-CB 4.03Å; Y5-V88 HydrophobicContact CE1-CG1 3.88Å; Y5-V88 HydrophobicContact CE2-CB 4.49Å; Y5-V88 HydrophobicContact CE2-CG1 3.53Å; Y5-V88 VanDerWaalsContact CZ-CG1 3.41Å; Y5-D89 PolarHBondContact OH-N 3.17Å; Y5-D89 PolarHBondContact OH-OD1 2.83Å
6K89.5Confident87.3Confident94 Ų9457.1 Ų57.141%0.40929%0.292SS..Hα-helixtrans-64.5-44172.9-174.2170.7-173.1170.50111.5E2 S3 K4 L9 L10 D50 I53 V58E2-K6 PolarHBondContact O-N 3.31Å; S3-K6 PolarHBondContact O-N 2.75Å; K4-K6 VanDerWaalsContact C-N 3.34Å; K6-L9 PolarHBondContact O-N 2.94Å; K6-L10 PolarHBondContact O-N 3.09Å; K6-L10 VanDerWaalsContact O-N 3.16Å; K6-D50 WeakPolarHBondContact CE-OD1 3.41Å; K6-D50 IonicContact NZ-OD1 2.67Å; K6-D50 PolarHBondContact NZ-OD1 3.27Å; K6-I53 HydrophobicContact CB-CD1 4.19Å; K6-I53 HydrophobicContact CD-CD1 4.12Å; K6-I53 HydrophobicContact CG-CD1 3.79Å; K6-V58 HydrophobicContact CB-CG2 4.25Å
7E89.8Confident87.5Confident108 Ų10854.1 Ų54.151%0.50528%0.276SS..Hα-helixtrans-60.5-49.5175.8-173.6-177.617700111.7S3 K4 L9 L10 L11S3-E7 WeakPolarHBondContact O-CB 3.34Å; S3-E7 PolarHBondContact O-N 3.03Å; K4-E7 PolarHBondContact O-N 2.94Å; E7-L9 PolarHBondContact O-N 2.96Å; E7-L10 PolarHBondContact O-N 3.01Å; E7-L11 HydrophobicContact CG-CD1 3.59Å; E7-L11 HydrophobicContact CG-CG 4.19Å; E7-L11 VanDerWaalsContact O-CB 3.32Å; E7-L11 WeakPolarHBondContact O-CB 3.3Å; E7-L11 WeakPolarHBondContact O-CG 3.28Å; E7-L11 PolarHBondContact O-N 3.42Å
8I91.8Very high87.6Confident13 Ų1353.3 Ų53.37%0.06727%0.274CS..Iπ-helixtrans-62.4-42.9178-71.2163.1000111.3K4 L10 T12 G13 L81 E84 V88K4-I8 WeakPolarHBondContact O-CB 3.44Å; K4-I8 WeakPolarHBondContact O-CD1 3.34Å; K4-I8 VanDerWaalsContact O-CG1 3.3Å; K4-I8 WeakPolarHBondContact O-CG1 3.32Å; K4-I8 PolarHBondContact O-N 3.28Å; I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 3.28Å; I8-T12 WeakPolarHBondContact O-CA 3.47Å; I8-T12 WeakPolarHBondContact O-CB 3.3Å; I8-T12 PolarHBondContact O-N 3.43Å; I8-G13 PolarHBondContact O-N 3.08Å; I8-L81 HydrophobicContact CG2-CD1 3.42Å; I8-L81 VanDerWaalsContact CG2-CD1 3.42Å; I8-L81 HydrophobicContact CG2-CG 4.45Å; I8-L81 WeakPolarHBondContact O-CD1 3.36Å; I8-E84 HydrophobicContact CD1-CB 3.94Å; I8-E84 HydrophobicContact CG1-CB 4.12Å; I8-E84 HydrophobicContact CG2-CB 3.92Å; I8-V88 HydrophobicContact CD1-CB 4.43Å; I8-V88 HydrophobicContact CD1-CG2 3.33Å
9L92.4Very high87.5Confident0 Ų056 Ų560%029%0.289CS..Iπ-helixtrans-56.8-44.8178.6179.160.5000112Y5 K6 E7 G13 L14 A49 M52 I53 A61 V62 T65Y5-L9 VanDerWaalsContact O-CB 3.29Å; Y5-L9 WeakPolarHBondContact O-CB 3.28Å; Y5-L9 PolarHBondContact O-N 3.49Å; K6-L9 PolarHBondContact O-N 2.94Å; E7-L9 PolarHBondContact O-N 2.96Å; L9-G13 VanDerWaalsContact O-CA 3.31Å; L9-G13 WeakPolarHBondContact O-CA 3.37Å; L9-G13 PolarHBondContact O-N 3.14Å; L9-L14 PolarHBondContact O-N 3.42Å; L9-L14 VanDerWaalsContact O-N 3.12Å; L9-A49 HydrophobicContact CD2-CB 4.01Å; L9-A49 HydrophobicContact CG-CB 4.32Å; L9-M52 HydrophobicContact CD1-CE 4.1Å; L9-I53 HydrophobicContact CD2-CD1 3.95Å; L9-I53 HydrophobicContact CD2-CG1 3.85Å; L9-A61 HydrophobicContact CD2-CB 3.96Å; L9-V62 HydrophobicContact CB-CG2 3.98Å; L9-V62 HydrophobicContact CD1-CG2 4.39Å; L9-T65 HydrophobicContact CD1-CG2 4.07Å; L9-T65 WeakPolarHBondContact CD1-OG1 3.49Å
10L92.1Very high87.6Confident35 Ų3561.2 Ų61.218%0.18331%0.312CS..Iπ-helixtrans-80.7-60.5-177.8-167.670.2000111.2K6 E7 I8 L14 D15 R45 I46 A49K6-L10 PolarHBondContact O-N 3.09Å; K6-L10 VanDerWaalsContact O-N 3.16Å; E7-L10 PolarHBondContact O-N 3.01Å; I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 3.28Å; L10-L14 HydrophobicContact CD1-CB 4.47Å; L10-L14 PolarHBondContact O-N 3.15Å; L10-L14 VanDerWaalsContact O-N 3.11Å; L10-D15 WeakPolarHBondContact O-CB 3.4Å; L10-D15 PolarHBondContact O-N 2.98Å; L10-R45 HydrophobicContact CD1-CB 4.21Å; L10-I46 HydrophobicContact CD1-CG1 4.24Å; L10-I46 HydrophobicContact CD2-CG1 4.18Å; L10-A49 HydrophobicContact CD1-CB 4.18Å
11L89.7Confident87.7Confident92 Ų9259.8 Ų59.848%0.48231%0.305SS..Iπ-helixtrans-75.4-30.1-169.1-59-173.2000113.9E7 D15 N16E7-L11 HydrophobicContact CG-CD1 3.59Å; E7-L11 HydrophobicContact CG-CG 4.19Å; E7-L11 VanDerWaalsContact O-CB 3.32Å; E7-L11 WeakPolarHBondContact O-CB 3.3Å; E7-L11 WeakPolarHBondContact O-CG 3.28Å; E7-L11 PolarHBondContact O-N 3.42Å; L11-D15 WeakPolarHBondContact CD2-OD2 3.34Å; L11-N16 PolarHBondContact O-ND2 2.92Å
12T90.3Very high89Confident25 Ų2554.8 Ų54.815%0.15328%0.28CS..Iπ-helixtrans-98-25.4177.7-51.40000111.7I8 N16 R80 L81 E84I8-T12 WeakPolarHBondContact O-CA 3.47Å; I8-T12 WeakPolarHBondContact O-CB 3.3Å; I8-T12 PolarHBondContact O-N 3.43Å; T12-N16 PolarHBondContact O-ND2 3.32Å; T12-R80 HydrophobicContact CG2-CB 4.46Å; T12-R80 HydrophobicContact CG2-CG 3.71Å; T12-L81 HydrophobicContact CG2-CD1 4.07Å; T12-E84 HydrophobicContact CG2-CG 4.25Å
13G92.1Very high89.9Confident0 Ų052.1 Ų52.10%027%0.27CS..Iπ-helixtrans-96.1-89178.700000112.7I8 L9 D15 N16I8-G13 PolarHBondContact O-N 3.08Å; L9-G13 VanDerWaalsContact O-CA 3.31Å; L9-G13 WeakPolarHBondContact O-CA 3.37Å; L9-G13 PolarHBondContact O-N 3.14Å; G13-D15 VanDerWaalsContact C-N 3.34Å; G13-D15 PolarHBondContact O-N 2.92Å; G13-N16 PolarHBondContact O-N 3.29Å
14L93.9Very high90.3Very high0 Ų052 Ų520%026%0.256CS..G310 helixtrans-68.4-25.8-164.3-57-177000114.9L9 L10 N16 I17 L22 F25 R45 V48 A49L9-L14 PolarHBondContact O-N 3.42Å; L9-L14 VanDerWaalsContact O-N 3.12Å; L10-L14 HydrophobicContact CD1-CB 4.47Å; L10-L14 PolarHBondContact O-N 3.15Å; L10-L14 VanDerWaalsContact O-N 3.11Å; L14-N16 VanDerWaalsContact C-N 3.28Å; L14-I17 HydrophobicContact CD2-CD1 4.4Å; L14-I17 WeakPolarHBondContact O-CG1 3.47Å; L14-L22 HydrophobicContact CD2-CD1 4.4Å; L14-F25 HydrophobicContact CD2-CD1 3.85Å; L14-F25 HydrophobicContact CD2-CE1 3.51Å; L14-F25 HydrophobicContact CD2-CE2 4.39Å; L14-F25 HydrophobicContact CD2-CG 4.41Å; L14-F25 HydrophobicContact CD2-CZ 3.83Å; L14-R45 HydrophobicContact CB-CB 4.29Å; L14-R45 HydrophobicContact CB-CG 4.39Å; L14-R45 WeakPolarHBondContact CD1-O 3.36Å; L14-R45 WeakPolarHBondContact O-CD 3.23Å; L14-R45 PolarHBondContact O-NE 3.3Å; L14-V48 HydrophobicContact CD1-CB 4.29Å; L14-V48 HydrophobicContact CD1-CG1 3.97Å; L14-A49 HydrophobicContact CD1-CB 3.87Å
15D92.2Very high90.6Very high79 Ų7948.9 Ų48.942%0.42224%0.242SC..G310 helixtrans-78.8-12.3177.7-72.7-10.5000113.1L10 L11 G13 I17 R45L10-D15 WeakPolarHBondContact O-CB 3.4Å; L10-D15 PolarHBondContact O-N 2.98Å; L11-D15 WeakPolarHBondContact CD2-OD2 3.34Å; G13-D15 VanDerWaalsContact C-N 3.34Å; G13-D15 PolarHBondContact O-N 2.92Å; D15-I17 VanDerWaalsContact C-N 3.35Å; D15-R45 VanDerWaalsContact OD1-CD 3.31Å; D15-R45 WeakPolarHBondContact OD1-CD 3.19Å
16N90.4Very high90.7Very high51 Ų5149.8 Ų49.827%0.27325%0.246SC..G310 helixtrans-96.813178.6-65.7-102.8000112.6L11 T12 G13 L14 L77L11-N16 PolarHBondContact O-ND2 2.92Å; T12-N16 PolarHBondContact O-ND2 3.32Å; G13-N16 PolarHBondContact O-N 3.29Å; L14-N16 VanDerWaalsContact C-N 3.28Å; N16-L77 HydrophobicContact CB-CD1 4.31Å; N16-L77 HydrophobicContact CB-CD2 3.6Å
17I90.7Very high90.5Very high5 Ų550.4 Ų50.43%0.02625%0.249CC..SBendtrans-123.5143.7174.361.5173.9000109.5L14 D15 E21 L22 F25 R45 F69 Y74 L77L14-I17 HydrophobicContact CD2-CD1 4.4Å; L14-I17 WeakPolarHBondContact O-CG1 3.47Å; D15-I17 VanDerWaalsContact C-N 3.35Å; I17-E21 HydrophobicContact CB-CB 3.87Å; I17-L22 HydrophobicContact CD1-CB 4.12Å; I17-L22 HydrophobicContact CD1-CD1 4Å; I17-L22 HydrophobicContact CG1-CB 4.41Å; I17-F25 HydrophobicContact CD1-CB 4Å; I17-F25 HydrophobicContact CD1-CG 4.31Å; I17-R45 PolarHBondContact O-NE 2.99Å; I17-R45 PolarHBondContact O-NH2 3.42Å; I17-F69 HydrophobicContact CD1-CE1 4.29Å; I17-F69 HydrophobicContact CG2-CE1 4.33Å; I17-F69 HydrophobicContact CG2-CZ 4.41Å; I17-Y74 HydrophobicContact CG2-CD2 4.19Å; I17-Y74 HydrophobicContact CG2-CE2 4.18Å; I17-L77 HydrophobicContact CG2-CD1 3.5Å
18T89.3Confident90.3Very high40 Ų4046 Ų4625%0.24523%0.228CC..  trans-64.6169.1176.161.50000112.1E20 E21 L22 R45 Q170T18-E20 VanDerWaalsContact C-N 3.29Å; T18-E20 PolarHBondContact O-N 3.36Å; T18-E21 WeakPolarHBondContact CB-OE2 3.34Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.29Å; T18-E21 PolarHBondContact N-OE2 2.85Å; T18-E21 PolarHBondContact O-N 3.36Å; T18-E21 WeakPolarHBondContact OG1-CB 3.44Å; T18-E21 WeakPolarHBondContact OG1-CG 3.35Å; T18-E21 PolarHBondContact OG1-N 3.19Å; T18-E21 PolarHBondContact OG1-OE2 3.41Å; T18-L22 VanDerWaalsContact O-CB 3.31Å; T18-L22 WeakPolarHBondContact O-CB 3.45Å; T18-L22 PolarHBondContact O-N 3.01Å; T18-R45 PolarHBondContact O-NH2 2.94Å; T18-Q170 VanDerWaalsContact CG2-NE2 3.3Å
19D86.3Confident89.9Confident105 Ų10545.4 Ų45.456%0.56123%0.225SC*.Hα-helixtrans-63.2-37.9176.7-67.5-26.5000111.8L22 D23 R45D19-L22 WeakPolarHBondContact O-CB 3.26Å; D19-L22 PolarHBondContact O-N 3.37Å; D19-D23 PolarHBondContact O-N 3.05Å; D19-R45 IonicContact OD1-CZ 3.51Å; D19-R45 IonicContact OD1-NH1 3.74Å; D19-R45 PolarHBondContact OD1-NH1 2.78Å; D19-R45 IonicContact OD1-NH2 2.84Å; D19-R45 PolarHBondContact OD1-NH2 2.95Å
20E87.9Confident89Confident159 Ų15946.4 Ų46.474%0.74323%0.232SC*.Hα-helixtrans-63.6-43.8175.2-65171.4-175.700111.4T18 L22 D23 R24T18-E20 VanDerWaalsContact C-N 3.29Å; T18-E20 PolarHBondContact O-N 3.36Å; E20-L22 VanDerWaalsContact C-N 3.35Å; E20-D23 PolarHBondContact O-N 2.97Å; E20-R24 PolarHBondContact O-N 2.85Å; E20-R24 VanDerWaalsContact O-N 3.13Å
21E90.6Very high87.9Confident33 Ų3350.7 Ų50.715%0.15426%0.255CS..Hα-helixtrans-71.5-30.1177.3-69.4162.8156.200112.6I17 T18 R24 F25 Y74I17-E21 HydrophobicContact CB-CB 3.87Å; T18-E21 WeakPolarHBondContact CB-OE2 3.34Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.29Å; T18-E21 PolarHBondContact N-OE2 2.85Å; T18-E21 PolarHBondContact O-N 3.36Å; T18-E21 WeakPolarHBondContact OG1-CB 3.44Å; T18-E21 WeakPolarHBondContact OG1-CG 3.35Å; T18-E21 PolarHBondContact OG1-N 3.19Å; T18-E21 PolarHBondContact OG1-OE2 3.41Å; E21-R24 WeakPolarHBondContact O-CB 3.48Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-F25 WeakPolarHBondContact O-CB 2.98Å; E21-F25 PolarHBondContact O-N 3.37Å; E21-Y74 HydrophobicContact CB-CE2 4.33Å; E21-Y74 WeakPolarHBondContact CB-OH 3.09Å; E21-Y74 WeakPolarHBondContact CG-OH 3.27Å
22L92.9Very high87.1Confident5 Ų548.3 Ų48.33%0.02624%0.242CC..Hα-helixtrans-66.7-38.8172.2-179.369.9000111L14 I17 T18 D19 E20 R24 F25 K26 R45L14-L22 HydrophobicContact CD2-CD1 4.4Å; I17-L22 HydrophobicContact CD1-CB 4.12Å; I17-L22 HydrophobicContact CD1-CD1 4Å; I17-L22 HydrophobicContact CG1-CB 4.41Å; T18-L22 VanDerWaalsContact O-CB 3.31Å; T18-L22 WeakPolarHBondContact O-CB 3.45Å; T18-L22 PolarHBondContact O-N 3.01Å; D19-L22 WeakPolarHBondContact O-CB 3.26Å; D19-L22 PolarHBondContact O-N 3.37Å; E20-L22 VanDerWaalsContact C-N 3.35Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-F25 WeakPolarHBondContact O-CB 3.41Å; L22-F25 PolarHBondContact O-N 2.79Å; L22-K26 HydrophobicContact CG-CD 4.41Å; L22-K26 WeakPolarHBondContact O-CB 3.26Å; L22-K26 VanDerWaalsContact O-CG 3.27Å; L22-K26 WeakPolarHBondContact O-CG 3.47Å; L22-K26 PolarHBondContact O-N 2.8Å; L22-R45 HydrophobicContact CD1-CG 4.1Å; L22-R45 HydrophobicContact CD2-CG 3.51Å; L22-R45 HydrophobicContact CG-CG 4.41Å
23D89.9Confident86.1Confident91 Ų9147.4 Ų47.449%0.48724%0.235SC..Hα-helixtrans-65.7-38.9174.7-74.9-14.3000111.7D19 E20 K26 F27D19-D23 PolarHBondContact O-N 3.05Å; E20-D23 PolarHBondContact O-N 2.97Å; D23-K26 PolarHBondContact O-N 3.04Å; D23-K26 IonicContact OD1-NZ 2.62Å; D23-K26 PolarHBondContact OD1-NZ 2.82Å; D23-F27 PolarHBondContact O-N 3Å
24R89.9Confident85.2Confident92 Ų9254.5 Ų54.535%0.34727%0.273SS..Hα-helixtrans-61-44.6168-69.1177.9171.9177.60.7111.9E20 E21 L22 K26 F27 F28 L72 E147E20-R24 PolarHBondContact O-N 2.85Å; E20-R24 VanDerWaalsContact O-N 3.13Å; E21-R24 WeakPolarHBondContact O-CB 3.48Å; E21-R24 PolarHBondContact O-N 3.4Å; L22-R24 VanDerWaalsContact C-N 3.34Å; R24-K26 PolarHBondContact O-N 2.87Å; R24-F27 VanDerWaalsContact O-CB 3.32Å; R24-F27 WeakPolarHBondContact O-CB 3.49Å; R24-F27 PolarHBondContact O-N 3.41Å; R24-F28 WeakPolarHBondContact O-CD2 3.31Å; R24-L72 HydrophobicContact CB-CD2 4.25Å; R24-E147 IonicContact CZ-OE1 3.01Å; R24-E147 IonicContact NE-OE1 3.9Å; R24-E147 IonicContact NE-OE2 2.68Å; R24-E147 IonicContact NH2-OE1 2.7Å; R24-E147 PolarHBondContact NH2-OE1 2.92Å
25F92.3Very high84.5Confident0 Ų055.2 Ų55.20%028%0.277CS..Hα-helixtrans-60-45.8177.5-177.1-93.1000112.3L14 I17 E21 L22 F27 F28 L29 V48 M52 T65 I68 F69 L72L14-F25 HydrophobicContact CD2-CD1 3.85Å; L14-F25 HydrophobicContact CD2-CE1 3.51Å; L14-F25 HydrophobicContact CD2-CE2 4.39Å; L14-F25 HydrophobicContact CD2-CG 4.41Å; L14-F25 HydrophobicContact CD2-CZ 3.83Å; I17-F25 HydrophobicContact CD1-CB 4Å; I17-F25 HydrophobicContact CD1-CG 4.31Å; E21-F25 WeakPolarHBondContact O-CB 2.98Å; E21-F25 PolarHBondContact O-N 3.37Å; L22-F25 WeakPolarHBondContact O-CB 3.41Å; L22-F25 PolarHBondContact O-N 2.79Å; F25-F27 PolarHBondContact O-N 3.11Å; F25-F28 PolarHBondContact O-N 3.49Å; F25-F28 VanDerWaalsContact O-N 3.13Å; F25-L29 HydrophobicContact CD1-CD1 3.84Å; F25-L29 HydrophobicContact CD1-CD2 4.44Å; F25-L29 HydrophobicContact CD1-CG 3.98Å; F25-L29 HydrophobicContact CE1-CD1 3.65Å; F25-L29 HydrophobicContact CE1-CD2 3.68Å; F25-L29 HydrophobicContact CE1-CG 3.71Å; F25-L29 HydrophobicContact CZ-CD2 4.05Å; F25-L29 HydrophobicContact CZ-CG 4.44Å; F25-L29 PolarHBondContact O-N 3.17Å; F25-V48 HydrophobicContact CD1-CG1 4.45Å; F25-V48 HydrophobicContact CE1-CG1 4.26Å; F25-M52 HydrophobicContact CE1-CE 4.01Å; F25-M52 HydrophobicContact CE1-SD 3.84Å; F25-M52 HydrophobicContact CZ-CE 3.8Å; F25-M52 HydrophobicContact CZ-SD 4.26Å; F25-T65 HydrophobicContact CE2-CG2 3.86Å; F25-T65 HydrophobicContact CZ-CG2 3.82Å; F25-I68 HydrophobicContact CD2-CB 4.2Å; F25-I68 HydrophobicContact CD2-CG2 3.38Å; F25-I68 HydrophobicContact CE2-CB 3.76Å; F25-I68 HydrophobicContact CE2-CD1 4.16Å; F25-I68 HydrophobicContact CE2-CG2 3.46Å; F25-I68 VanDerWaalsContact CE2-CG2 3.46Å; F25-I68 HydrophobicContact CG-CG2 4.26Å; F25-I68 HydrophobicContact CZ-CD1 4.1Å; F25-I68 HydrophobicContact CZ-CG2 4.4Å; F25-F69 AromaticContact CD2-CD1 3.75Å; F25-F69 HydrophobicContact CD2-CD1 3.75Å; F25-F69 AromaticContact CD2-CE1 3.43Å; F25-F69 HydrophobicContact CD2-CE1 3.43Å; F25-F69 VanDerWaalsContact CD2-CE1 3.43Å; F25-F69 HydrophobicContact CD2-CZ 4.5Å; F25-F69 AromaticContact CE2-CD1 3.73Å; F25-F69 HydrophobicContact CE2-CD1 3.73Å; F25-F69 AromaticContact CE2-CE1 3.46Å; F25-F69 HydrophobicContact CE2-CE1 3.46Å; F25-F69 VanDerWaalsContact CE2-CE1 3.46Å; F25-F69 HydrophobicContact CE2-CZ 4.27Å; F25-F69 HydrophobicContact CG-CE1 4.45Å; F25-L72 HydrophobicContact CB-CD1 4.29Å; F25-L72 HydrophobicContact CD2-CD1 4.22Å
26K91.2Very high83.9Confident19 Ų1954.4 Ų54.48%0.08328%0.281CS..Hα-helixtrans-58.7-34.4177.1-73.7163-179.2168.10112.6L22 D23 R24 F28 L29 L40 A43 V48L22-K26 HydrophobicContact CG-CD 4.41Å; L22-K26 WeakPolarHBondContact O-CB 3.26Å; L22-K26 VanDerWaalsContact O-CG 3.27Å; L22-K26 WeakPolarHBondContact O-CG 3.47Å; L22-K26 PolarHBondContact O-N 2.8Å; D23-K26 PolarHBondContact O-N 3.04Å; D23-K26 IonicContact OD1-NZ 2.62Å; D23-K26 PolarHBondContact OD1-NZ 2.82Å; R24-K26 PolarHBondContact O-N 2.87Å; K26-F28 VanDerWaalsContact C-N 3.33Å; K26-F28 PolarHBondContact O-N 3.28Å; K26-L29 WeakPolarHBondContact O-CB 3.29Å; K26-L29 PolarHBondContact O-N 3.42Å; K26-L40 HydrophobicContact CB-CB 4.34Å; K26-L40 WeakPolarHBondContact CD-O 3.47Å; K26-L40 WeakPolarHBondContact CE-O 3.24Å; K26-L40 HydrophobicContact CG-CB 4.48Å; K26-A43 WeakPolarHBondContact CE-O 3.32Å; K26-A43 PolarHBondContact NZ-O 2.93Å; K26-V48 HydrophobicContact CD-CG2 4.38Å; K26-V48 HydrophobicContact CG-CG2 3.98Å
27F85.5Confident83.1Confident107 Ų10756.5 Ų56.547%0.46930%0.296SS..Hα-helixtrans-58.7-44.3176-176.7-94.2000111.9D23 R24 F25 L29D23-F27 PolarHBondContact O-N 3Å; R24-F27 VanDerWaalsContact O-CB 3.32Å; R24-F27 WeakPolarHBondContact O-CB 3.49Å; R24-F27 PolarHBondContact O-N 3.41Å; F25-F27 PolarHBondContact O-N 3.11Å; F27-L29 VanDerWaalsContact C-N 3.33Å; F27-L29 PolarHBondContact O-N 3.48Å
28F84.3Confident82.6Confident16 Ų1659.2 Ų59.27%0.0733%0.326CS..Hα-helixtrans-77-16.3178.7-65.2-79.6000114.1R24 F25 K26 S30 D31 E32 I68 L72 Y213R24-F28 WeakPolarHBondContact O-CD2 3.31Å; F25-F28 PolarHBondContact O-N 3.49Å; F25-F28 VanDerWaalsContact O-N 3.13Å; K26-F28 VanDerWaalsContact C-N 3.33Å; K26-F28 PolarHBondContact O-N 3.28Å; F28-S30 VanDerWaalsContact C-N 3.32Å; F28-S30 PolarHBondContact O-N 2.87Å; F28-D31 PolarHBondContact O-N 3.17Å; F28-E32 PolarHBondContact O-N 3.06Å; F28-I68 HydrophobicContact CB-CD1 4.4Å; F28-I68 HydrophobicContact CB-CG1 4.11Å; F28-I68 HydrophobicContact CB-CG2 3.72Å; F28-I68 HydrophobicContact CD2-CG2 4.47Å; F28-I68 HydrophobicContact CG-CG2 4.32Å; F28-L72 HydrophobicContact CD2-CD1 4.27Å; F28-L72 HydrophobicContact CD2-CD2 3.67Å; F28-L72 HydrophobicContact CD2-CG 4.06Å; F28-L72 HydrophobicContact CE2-CD2 3.3Å; F28-L72 HydrophobicContact CE2-CG 4.15Å; F28-L72 HydrophobicContact CZ-CD2 4.17Å; F28-Y213 WeakPolarHBondContact CE1-OH 3.47Å; F28-Y213 AromaticContact CZ-CE1 3.89Å; F28-Y213 HydrophobicContact CZ-CE1 3.89Å; F28-Y213 AromaticContact CZ-CZ 3.85Å; F28-Y213 WeakPolarHBondContact CZ-OH 3.18Å
29L84Confident82.2Confident0 Ų064.1 Ų64.10%034%0.344CS..Hα-helixtrans-66.9-33.5176.3-75.7176.9000112.7F25 K26 F27 D31 E32 F33 L40 V48 M52 I68F25-L29 HydrophobicContact CD1-CD1 3.84Å; F25-L29 HydrophobicContact CD1-CD2 4.44Å; F25-L29 HydrophobicContact CD1-CG 3.98Å; F25-L29 HydrophobicContact CE1-CD1 3.65Å; F25-L29 HydrophobicContact CE1-CD2 3.68Å; F25-L29 HydrophobicContact CE1-CG 3.71Å; F25-L29 HydrophobicContact CZ-CD2 4.05Å; F25-L29 HydrophobicContact CZ-CG 4.44Å; F25-L29 PolarHBondContact O-N 3.17Å; K26-L29 WeakPolarHBondContact O-CB 3.29Å; K26-L29 PolarHBondContact O-N 3.42Å; F27-L29 VanDerWaalsContact C-N 3.33Å; F27-L29 PolarHBondContact O-N 3.48Å; L29-D31 VanDerWaalsContact C-N 3.29Å; L29-D31 PolarHBondContact O-N 3.25Å; L29-E32 PolarHBondContact O-N 3.25Å; L29-F33 HydrophobicContact CD2-CD2 3.35Å; L29-F33 HydrophobicContact CD2-CE2 3.34Å; L29-F33 HydrophobicContact CD2-CG 4.29Å; L29-F33 HydrophobicContact CD2-CZ 4.25Å; L29-F33 WeakPolarHBondContact O-CA 3.19Å; L29-F33 WeakPolarHBondContact O-CB 3.49Å; L29-F33 PolarHBondContact O-N 3.33Å; L29-L40 HydrophobicContact CB-CD1 3.73Å; L29-L40 HydrophobicContact CB-CD2 4.48Å; L29-L40 HydrophobicContact CD1-CD2 3.87Å; L29-V48 HydrophobicContact CD1-CG1 3.38Å; L29-M52 HydrophobicContact CD1-CG 4.2Å; L29-M52 HydrophobicContact CD1-SD 3.97Å; L29-M52 HydrophobicContact CD2-CE 3.74Å; L29-M52 HydrophobicContact CD2-CG 3.65Å; L29-M52 HydrophobicContact CD2-SD 3.6Å; L29-M52 HydrophobicContact CG-SD 4.45Å; L29-I68 HydrophobicContact CD2-CD1 3.7Å; L29-I68 HydrophobicContact CG-CD1 4.34Å
30S72.9Confident82.2Confident21 Ų2159.2 Ų59.215%0.14732%0.317CS..Hα-helixtrans-60.4-42177.5-74.60000111.4F28 N34 I35 T37F28-S30 VanDerWaalsContact C-N 3.32Å; F28-S30 PolarHBondContact O-N 2.87Å; S30-N34 WeakPolarHBondContact O-CA 3.48Å; S30-N34 PolarHBondContact O-N 3.16Å; S30-N34 VanDerWaalsContact O-N 3.07Å; S30-I35 PolarHBondContact OG-O 2.86Å; S30-I35 VanDerWaalsContact OG-O 3.06Å; S30-T37 PolarHBondContact OG-OG1 2.82Å; S30-T37 VanDerWaalsContact OG-OG1 3.09Å
31D69.4Low81.9Confident125 Ų12560.9 Ų60.967%0.66832%0.317SS*.Hα-helixtrans-72.6-36.2179.7-70.4-10.3000112.8F28 L29F28-D31 PolarHBondContact O-N 3.17Å; L29-D31 VanDerWaalsContact C-N 3.29Å; L29-D31 PolarHBondContact O-N 3.25Å
32E72.4Confident81.6Confident42 Ų4265.2 Ų65.220%0.19635%0.345CS..Hα-helixtrans-90-28.6-173.9-74.4-66.9164.200114.1F28 L29 K64 I68 K71F28-E32 PolarHBondContact O-N 3.06Å; L29-E32 PolarHBondContact O-N 3.25Å; E32-K64 WeakPolarHBondContact O-CE 3.43Å; E32-K64 PolarHBondContact O-NZ 3.34Å; E32-K64 IonicContact OE2-NZ 3.93Å; E32-K64 PolarHBondContact OE2-NZ 3.39Å; E32-I68 HydrophobicContact CB-CD1 4.12Å; E32-I68 HydrophobicContact CB-CG1 4.5Å; E32-I68 HydrophobicContact CG-CD1 4.11Å; E32-I68 HydrophobicContact CG-CG1 3.93Å; E32-K71 IonicContact OE1-NZ 3.54Å; E32-K71 PolarHBondContact OE1-NZ 2.91Å
33F70.3Confident81.4Confident5 Ų565.2 Ų65.22%0.02235%0.346CS..Hα-helixtrans-117.7-0.3-175-67.9-102.3000113L29 I35 M52 N55 A56 A61 K64 I68L29-F33 HydrophobicContact CD2-CD2 3.35Å; L29-F33 HydrophobicContact CD2-CE2 3.34Å; L29-F33 HydrophobicContact CD2-CG 4.29Å; L29-F33 HydrophobicContact CD2-CZ 4.25Å; L29-F33 WeakPolarHBondContact O-CA 3.19Å; L29-F33 WeakPolarHBondContact O-CB 3.49Å; L29-F33 PolarHBondContact O-N 3.33Å; F33-I35 HydrophobicContact CB-CD1 3.43Å; F33-I35 VanDerWaalsContact CB-CD1 3.43Å; F33-I35 HydrophobicContact CB-CG1 3.6Å; F33-I35 HydrophobicContact CD1-CD1 4.48Å; F33-I35 HydrophobicContact CG-CD1 4.1Å; F33-I35 PolarHBondContact O-N 2.84Å; F33-I35 VanDerWaalsContact O-N 3.11Å; F33-M52 HydrophobicContact CD1-CB 4.15Å; F33-M52 HydrophobicContact CD1-CG 4.29Å; F33-M52 HydrophobicContact CE1-CB 3.68Å; F33-M52 HydrophobicContact CE1-CE 4.37Å; F33-M52 HydrophobicContact CE1-CG 4.01Å; F33-M52 HydrophobicContact CE2-CE 3.89Å; F33-M52 HydrophobicContact CE2-CG 4.26Å; F33-M52 HydrophobicContact CZ-CB 3.99Å; F33-M52 HydrophobicContact CZ-CE 3.55Å; F33-M52 HydrophobicContact CZ-CG 3.97Å; F33-N55 HydrophobicContact CD1-CB 4.48Å; F33-N55 PolarHBondContact O-ND2 3.01Å; F33-N55 PolarHBondContact O-OD1 2.79Å; F33-A56 HydrophobicContact CD1-CB 3.77Å; F33-A56 HydrophobicContact CE1-CB 3.69Å; F33-A61 HydrophobicContact CE1-CB 4.25Å; F33-K64 HydrophobicContact CD1-CD 4.18Å; F33-K64 HydrophobicContact CD2-CB 4.49Å; F33-K64 HydrophobicContact CD2-CD 4.24Å; F33-K64 HydrophobicContact CE1-CB 4.23Å; F33-K64 HydrophobicContact CE1-CD 3.81Å; F33-K64 HydrophobicContact CE2-CB 3.45Å; F33-K64 VanDerWaalsContact CE2-CB 3.45Å; F33-K64 HydrophobicContact CE2-CD 3.88Å; F33-K64 HydrophobicContact CE2-CG 4.28Å; F33-K64 HydrophobicContact CG-CD 4.39Å; F33-K64 HydrophobicContact CZ-CB 3.3Å; F33-K64 HydrophobicContact CZ-CD 3.67Å; F33-K64 HydrophobicContact CZ-CG 4.11Å; F33-I68 HydrophobicContact CE2-CD1 4.02Å
34N72.6Confident81.5Confident150 Ų15064.6 Ų64.680%0.80234%0.343SS*.  trans53.831.2-176.7-157.525.8000112.5S30S30-N34 WeakPolarHBondContact O-CA 3.48Å; S30-N34 PolarHBondContact O-N 3.16Å; S30-N34 VanDerWaalsContact O-N 3.07Å
35I79.6Confident81.7Confident14 Ų1462.8 Ų62.87%0.07234%0.336CS..  trans-87.9129.6178.9-61165.8000108.1S30 F33 T37 L40 L51 N55S30-I35 PolarHBondContact OG-O 2.86Å; S30-I35 VanDerWaalsContact OG-O 3.06Å; F33-I35 HydrophobicContact CB-CD1 3.43Å; F33-I35 VanDerWaalsContact CB-CD1 3.43Å; F33-I35 HydrophobicContact CB-CG1 3.6Å; F33-I35 HydrophobicContact CD1-CD1 4.48Å; F33-I35 HydrophobicContact CG-CD1 4.1Å; F33-I35 PolarHBondContact O-N 2.84Å; F33-I35 VanDerWaalsContact O-N 3.11Å; I35-T37 PolarHBondContact O-N 2.83Å; I35-L40 HydrophobicContact CB-CD1 4.06Å; I35-L40 HydrophobicContact CB-CG 4.39Å; I35-L40 HydrophobicContact CG2-CD1 3.94Å; I35-L40 HydrophobicContact CG2-CD2 3.97Å; I35-L40 HydrophobicContact CG2-CG 3.72Å; I35-L51 HydrophobicContact CD1-CB 4.15Å; I35-N55 HydrophobicContact CD1-CB 4.42Å; I35-N55 HydrophobicContact CG1-CB 4.32Å
36A78.6Confident81.7Confident62 Ų6267.3 Ų67.351%0.51236%0.359SS..  trans-56.1122.6178.200000111.3G38 K39A36-G38 PolarHBondContact O-N 3.49Å; A36-G38 VanDerWaalsContact O-N 3.08Å; A36-K39 PolarHBondContact O-N 2.77Å
37T75.3Confident81.8Confident95 Ų9570.9 Ų70.958%0.58338%0.376SS*.Hα-helixtrans-54.2-33.8-176.2-45.30000112.8S30 I35 K39 L40 R41S30-T37 PolarHBondContact OG-OG1 2.82Å; S30-T37 VanDerWaalsContact OG-OG1 3.09Å; I35-T37 PolarHBondContact O-N 2.83Å; T37-K39 VanDerWaalsContact C-N 3.3Å; T37-K39 PolarHBondContact O-N 2.9Å; T37-L40 PolarHBondContact O-N 2.84Å; T37-R41 PolarHBondContact O-N 2.62Å; T37-R41 VanDerWaalsContact O-N 3.11Å
38G78.8Confident82.2Confident63 Ų6365.8 Ų65.865%0.64935%0.354SS*.Hα-helixtrans-60.2-35.2176.200000113.9A36A36-G38 PolarHBondContact O-N 3.49Å; A36-G38 VanDerWaalsContact O-N 3.08Å
39K82.5Confident82.6Confident143 Ų14365.1 Ų65.162%0.62235%0.351SS*.Hα-helixtrans-74.4-30.9177.4-70.1-171.2176.3-176.10112.5A36 T37 A43A36-K39 PolarHBondContact O-N 2.77Å; T37-K39 VanDerWaalsContact C-N 3.3Å; T37-K39 PolarHBondContact O-N 2.9Å; K39-A43 WeakPolarHBondContact O-CB 3.15Å
40L86.1Confident83Confident2 Ų267.4 Ų67.41%0.0136%0.363CS..Hα-helixtrans-78.6-32.3-178.2-69170.5000112.5K26 L29 I35 T37 T42 A43 V48 L51K26-L40 HydrophobicContact CB-CB 4.34Å; K26-L40 WeakPolarHBondContact CD-O 3.47Å; K26-L40 WeakPolarHBondContact CE-O 3.24Å; K26-L40 HydrophobicContact CG-CB 4.48Å; L29-L40 HydrophobicContact CB-CD1 3.73Å; L29-L40 HydrophobicContact CB-CD2 4.48Å; L29-L40 HydrophobicContact CD1-CD2 3.87Å; I35-L40 HydrophobicContact CB-CD1 4.06Å; I35-L40 HydrophobicContact CB-CG 4.39Å; I35-L40 HydrophobicContact CG2-CD1 3.94Å; I35-L40 HydrophobicContact CG2-CD2 3.97Å; I35-L40 HydrophobicContact CG2-CG 3.72Å; T37-L40 PolarHBondContact O-N 2.84Å; L40-T42 VanDerWaalsContact C-N 3.29Å; L40-T42 PolarHBondContact O-N 2.73Å; L40-A43 PolarHBondContact O-N 2.8Å; L40-A43 VanDerWaalsContact O-N 3.09Å; L40-V48 HydrophobicContact CD2-CG2 4.47Å; L40-L51 HydrophobicContact CD2-CD1 4.07Å
41R80.1Confident83.9Confident194 Ų19468 Ų6873%0.73237%0.365SS*.Hα-helixtrans-55.5-40.1-172.8-168.3176.2-177.7175.62.1113.6T37T37-R41 PolarHBondContact O-N 2.62Å; T37-R41 VanDerWaalsContact O-N 3.11Å
42T84.9Confident85.1Confident123 Ų12362.1 Ų62.176%0.75533%0.333SS*.THydrogen-bonded Turntrans-103.21.2-179.759.70000113.3L40L40-T42 VanDerWaalsContact C-N 3.29Å; L40-T42 PolarHBondContact O-N 2.73Å
43A88.9Confident86Confident5 Ų561.8 Ų61.84%0.04133%0.333CS..  trans-73.7132.4-175.800000111K26 K39 L40 Q47 V48 L51K26-A43 WeakPolarHBondContact CE-O 3.32Å; K26-A43 PolarHBondContact NZ-O 2.93Å; K39-A43 WeakPolarHBondContact O-CB 3.15Å; L40-A43 PolarHBondContact O-N 2.8Å; L40-A43 VanDerWaalsContact O-N 3.09Å; A43-Q47 HydrophobicContact CB-CB 3.91Å; A43-V48 HydrophobicContact CB-CG2 3.67Å; A43-L51 HydrophobicContact CB-CD1 4.42Å
44N91.1Very high86.9Confident79 Ų7969 Ų6942%0.42237%0.367SS..  trans-77.317216866.938.5000111.1I46 Q47 V48N44-I46 VanDerWaalsContact C-N 3.26Å; N44-I46 PolarHBondContact O-N 3.42Å; N44-I46 PolarHBondContact OD1-N 3.39Å; N44-Q47 PolarHBondContact O-N 3.21Å; N44-Q47 VanDerWaalsContact O-N 3.12Å; N44-Q47 WeakPolarHBondContact OD1-CG 3.41Å; N44-Q47 PolarHBondContact OD1-N 2.89Å; N44-V48 WeakPolarHBondContact O-CG2 3.46Å; N44-V48 PolarHBondContact O-N 2.83Å
45R94.2Very high87.7Confident54 Ų5466 Ų6620%0.20435%0.35CS..Hα-helixtrans-51.5-43.1-177.4-68.1177.9176.170.77.9113.4L10 L14 D15 I17 T18 D19 L22 V48 A49L10-R45 HydrophobicContact CD1-CB 4.21Å; L14-R45 HydrophobicContact CB-CB 4.29Å; L14-R45 HydrophobicContact CB-CG 4.39Å; L14-R45 WeakPolarHBondContact CD1-O 3.36Å; L14-R45 WeakPolarHBondContact O-CD 3.23Å; L14-R45 PolarHBondContact O-NE 3.3Å; D15-R45 VanDerWaalsContact OD1-CD 3.31Å; D15-R45 WeakPolarHBondContact OD1-CD 3.19Å; I17-R45 PolarHBondContact O-NE 2.99Å; I17-R45 PolarHBondContact O-NH2 3.42Å; T18-R45 PolarHBondContact O-NH2 2.94Å; D19-R45 IonicContact OD1-CZ 3.51Å; D19-R45 IonicContact OD1-NH1 3.74Å; D19-R45 PolarHBondContact OD1-NH1 2.78Å; D19-R45 IonicContact OD1-NH2 2.84Å; D19-R45 PolarHBondContact OD1-NH2 2.95Å; L22-R45 HydrophobicContact CD1-CG 4.1Å; L22-R45 HydrophobicContact CD2-CG 3.51Å; L22-R45 HydrophobicContact CG-CG 4.41Å; R45-V48 PolarHBondContact O-N 2.84Å; R45-A49 PolarHBondContact O-N 2.87Å
46I93Very high88.1Confident94 Ų9466.9 Ų66.948%0.48236%0.36SS..Hα-helixtrans-66.2-48-179.1-57.5174.6000110L10 N44 V48 A49 D50L10-I46 HydrophobicContact CD1-CG1 4.24Å; L10-I46 HydrophobicContact CD2-CG1 4.18Å; N44-I46 VanDerWaalsContact C-N 3.26Å; N44-I46 PolarHBondContact O-N 3.42Å; N44-I46 PolarHBondContact OD1-N 3.39Å; I46-V48 VanDerWaalsContact C-N 3.3Å; I46-V48 PolarHBondContact O-N 2.99Å; I46-A49 PolarHBondContact O-N 2.81Å; I46-D50 PolarHBondContact O-N 2.77Å
47Q93.5Very high88.6Confident94 Ų9465.5 Ų65.544%0.43935%0.352SS..Hα-helixtrans-62.2-38.7177.8-70.9170.2-27.500111.8A43 N44 D50 L51A43-Q47 HydrophobicContact CB-CB 3.91Å; N44-Q47 PolarHBondContact O-N 3.21Å; N44-Q47 VanDerWaalsContact O-N 3.12Å; N44-Q47 WeakPolarHBondContact OD1-CG 3.41Å; N44-Q47 PolarHBondContact OD1-N 2.89Å; Q47-D50 PolarHBondContact O-N 2.87Å; Q47-L51 WeakPolarHBondContact O-CB 3.47Å; Q47-L51 WeakPolarHBondContact O-CG 3.5Å; Q47-L51 PolarHBondContact O-N 3.02Å
48V92.9Very high89.3Confident0 Ų061.7 Ų61.70%033%0.328CS..Hα-helixtrans-61.5-49.2174.4169.60000110.8L14 F25 K26 L29 L40 A43 N44 R45 I46 D50 L51 M52L14-V48 HydrophobicContact CD1-CB 4.29Å; L14-V48 HydrophobicContact CD1-CG1 3.97Å; F25-V48 HydrophobicContact CD1-CG1 4.45Å; F25-V48 HydrophobicContact CE1-CG1 4.26Å; K26-V48 HydrophobicContact CD-CG2 4.38Å; K26-V48 HydrophobicContact CG-CG2 3.98Å; L29-V48 HydrophobicContact CD1-CG1 3.38Å; L40-V48 HydrophobicContact CD2-CG2 4.47Å; A43-V48 HydrophobicContact CB-CG2 3.67Å; N44-V48 WeakPolarHBondContact O-CG2 3.46Å; N44-V48 PolarHBondContact O-N 2.83Å; R45-V48 PolarHBondContact O-N 2.84Å; I46-V48 VanDerWaalsContact C-N 3.3Å; I46-V48 PolarHBondContact O-N 2.99Å; V48-D50 VanDerWaalsContact C-N 3.35Å; V48-D50 PolarHBondContact O-N 2.86Å; V48-L51 PolarHBondContact O-N 3.14Å; V48-M52 HydrophobicContact CG1-SD 3.73Å; V48-M52 VanDerWaalsContact O-CG 3.23Å; V48-M52 WeakPolarHBondContact O-CG 3.43Å; V48-M52 PolarHBondContact O-N 2.92Å
49A93.3Very high89.9Confident2 Ų260.9 Ų60.92%0.01731%0.31CS..Hα-helixtrans-58.5-45.8176.700000112L9 L10 L14 R45 I46 L51 M52 I53L9-A49 HydrophobicContact CD2-CB 4.01Å; L9-A49 HydrophobicContact CG-CB 4.32Å; L10-A49 HydrophobicContact CD1-CB 4.18Å; L14-A49 HydrophobicContact CD1-CB 3.87Å; R45-A49 PolarHBondContact O-N 2.87Å; I46-A49 PolarHBondContact O-N 2.81Å; A49-L51 PolarHBondContact O-N 2.88Å; A49-M52 PolarHBondContact O-N 3.45Å; A49-I53 WeakPolarHBondContact O-CD1 3.43Å; A49-I53 WeakPolarHBondContact O-CG1 3.29Å; A49-I53 PolarHBondContact O-N 3.16Å
50D92.7Very high90.2Very high48 Ų4856.1 Ų56.126%0.25730%0.296SS..Hα-helixtrans-63.2-42.2179.1-76.2-26.3000111.8K6 I46 Q47 V48 M52 I53 Q54K6-D50 WeakPolarHBondContact CE-OD1 3.41Å; K6-D50 IonicContact NZ-OD1 2.67Å; K6-D50 PolarHBondContact NZ-OD1 3.27Å; I46-D50 PolarHBondContact O-N 2.77Å; Q47-D50 PolarHBondContact O-N 2.87Å; V48-D50 VanDerWaalsContact C-N 3.35Å; V48-D50 PolarHBondContact O-N 2.86Å; D50-M52 VanDerWaalsContact C-N 3.34Å; D50-M52 PolarHBondContact O-N 3Å; D50-I53 PolarHBondContact O-N 2.82Å; D50-Q54 WeakPolarHBondContact O-CB 3.16Å; D50-Q54 VanDerWaalsContact O-CG 3.25Å; D50-Q54 WeakPolarHBondContact O-CG 3.42Å; D50-Q54 PolarHBondContact O-N 3.13Å
51L92.8Very high90.6Very high35 Ų3556 Ų5618%0.18330%0.295CS..Hα-helixtrans-61.2-41.9175.7-74.8168.7000112I35 L40 A43 Q47 V48 A49 N55I35-L51 HydrophobicContact CD1-CB 4.15Å; L40-L51 HydrophobicContact CD2-CD1 4.07Å; A43-L51 HydrophobicContact CB-CD1 4.42Å; Q47-L51 WeakPolarHBondContact O-CB 3.47Å; Q47-L51 WeakPolarHBondContact O-CG 3.5Å; Q47-L51 PolarHBondContact O-N 3.02Å; V48-L51 PolarHBondContact O-N 3.14Å; A49-L51 PolarHBondContact O-N 2.88Å; L51-N55 VanDerWaalsContact O-CB 3.28Å; L51-N55 WeakPolarHBondContact O-CB 3.49Å; L51-N55 PolarHBondContact O-N 2.82Å
52M93.1Very high91.2Very high0 Ų046.8 Ų46.80%026%0.26CS..Hα-helixtrans-64.9-42177.3-67.7162.668.800112L9 F25 L29 F33 V48 A49 D50 N55 A56 A61 T65L9-M52 HydrophobicContact CD1-CE 4.1Å; F25-M52 HydrophobicContact CE1-CE 4.01Å; F25-M52 HydrophobicContact CE1-SD 3.84Å; F25-M52 HydrophobicContact CZ-CE 3.8Å; F25-M52 HydrophobicContact CZ-SD 4.26Å; L29-M52 HydrophobicContact CD1-CG 4.2Å; L29-M52 HydrophobicContact CD1-SD 3.97Å; L29-M52 HydrophobicContact CD2-CE 3.74Å; L29-M52 HydrophobicContact CD2-CG 3.65Å; L29-M52 HydrophobicContact CD2-SD 3.6Å; L29-M52 HydrophobicContact CG-SD 4.45Å; F33-M52 HydrophobicContact CD1-CB 4.15Å; F33-M52 HydrophobicContact CD1-CG 4.29Å; F33-M52 HydrophobicContact CE1-CB 3.68Å; F33-M52 HydrophobicContact CE1-CE 4.37Å; F33-M52 HydrophobicContact CE1-CG 4.01Å; F33-M52 HydrophobicContact CE2-CE 3.89Å; F33-M52 HydrophobicContact CE2-CG 4.26Å; F33-M52 HydrophobicContact CZ-CB 3.99Å; F33-M52 HydrophobicContact CZ-CE 3.55Å; F33-M52 HydrophobicContact CZ-CG 3.97Å; V48-M52 HydrophobicContact CG1-SD 3.73Å; V48-M52 VanDerWaalsContact O-CG 3.23Å; V48-M52 WeakPolarHBondContact O-CG 3.43Å; V48-M52 PolarHBondContact O-N 2.92Å; A49-M52 PolarHBondContact O-N 3.45Å; D50-M52 VanDerWaalsContact C-N 3.34Å; D50-M52 PolarHBondContact O-N 3Å; M52-N55 PolarHBondContact O-N 2.81Å; M52-A56 PolarHBondContact O-N 2.79Å; M52-A61 HydrophobicContact CB-CB 3.98Å; M52-T65 WeakPolarHBondContact CE-OG1 3.37Å
53I91.6Very high91.6Very high36 Ų3646.2 Ų46.219%0.18525%0.247CC..Hα-helixtrans-66.7-45.8178.2-67.4166.5000110.5K6 L9 A49 D50 N55 G57 V58 A61K6-I53 HydrophobicContact CB-CD1 4.19Å; K6-I53 HydrophobicContact CD-CD1 4.12Å; K6-I53 HydrophobicContact CG-CD1 3.79Å; L9-I53 HydrophobicContact CD2-CD1 3.95Å; L9-I53 HydrophobicContact CD2-CG1 3.85Å; A49-I53 WeakPolarHBondContact O-CD1 3.43Å; A49-I53 WeakPolarHBondContact O-CG1 3.29Å; A49-I53 PolarHBondContact O-N 3.16Å; D50-I53 PolarHBondContact O-N 2.82Å; I53-N55 PolarHBondContact O-N 2.69Å; I53-G57 WeakPolarHBondContact O-CA 3.47Å; I53-G57 PolarHBondContact O-N 3.21Å; I53-V58 HydrophobicContact CD1-CG2 4.07Å; I53-V58 HydrophobicContact CG1-CB 4.35Å; I53-V58 HydrophobicContact CG1-CG2 4.07Å; I53-V58 HydrophobicContact CG2-CB 4.12Å; I53-A61 HydrophobicContact CG1-CB 4.16Å
54Q89.7Confident91.8Very high157 Ų15748.4 Ų48.473%0.73426%0.256SS*.Hα-helixtrans-59.9-37.9177.8-76.1174.91.800111.8D50D50-Q54 WeakPolarHBondContact O-CB 3.16Å; D50-Q54 VanDerWaalsContact O-CG 3.25Å; D50-Q54 WeakPolarHBondContact O-CG 3.42Å; D50-Q54 PolarHBondContact O-N 3.13Å
55N89.1Confident91.9Very high85 Ų8544.7 Ų44.746%0.45524%0.236SC..Hα-helixtrans-81.5-39.9-174.6-172.286.5000113.9F33 I35 L51 M52 I53F33-N55 HydrophobicContact CD1-CB 4.48Å; F33-N55 PolarHBondContact O-ND2 3.01Å; F33-N55 PolarHBondContact O-OD1 2.79Å; I35-N55 HydrophobicContact CD1-CB 4.42Å; I35-N55 HydrophobicContact CG1-CB 4.32Å; L51-N55 VanDerWaalsContact O-CB 3.28Å; L51-N55 WeakPolarHBondContact O-CB 3.49Å; L51-N55 PolarHBondContact O-N 2.82Å; M52-N55 PolarHBondContact O-N 2.81Å; I53-N55 PolarHBondContact O-N 2.69Å
56A87Confident91.9Very high33 Ų3342.3 Ų42.327%0.27323%0.227SC..Hα-helixtrans-120.6-6.7-171.400000114.3F33 M52 S60F33-A56 HydrophobicContact CD1-CB 3.77Å; F33-A56 HydrophobicContact CE1-CB 3.69Å; M52-A56 PolarHBondContact O-N 2.79Å; A56-S60 WeakPolarHBondContact O-CB 3.49Å
57G89.8Confident91.8Very high33 Ų3341.7 Ų41.734%0.3422%0.224SC..  trans79.1154.1-16800000112.5I53 V59 S60 A61I53-G57 WeakPolarHBondContact O-CA 3.47Å; I53-G57 PolarHBondContact O-N 3.21Å; G57-V59 PolarHBondContact O-N 3.48Å; G57-S60 PolarHBondContact O-N 2.96Å; G57-A61 WeakPolarHBondContact O-CB 3.31Å; G57-A61 PolarHBondContact O-N 2.92Å
58V91.1Very high91.8Very high15 Ų1537.2 Ų37.29%0.09120%0.203CC..Hα-helixtrans-62.3-38.7-166.873.20000114.4E2 Y5 K6 I53 V62E2-V58 HydrophobicContact CB-CG1 4.13Å; E2-V58 HydrophobicContact CG-CG1 4.03Å; Y5-V58 VanDerWaalsContact CB-CG2 3.47Å; K6-V58 HydrophobicContact CB-CG2 4.25Å; I53-V58 HydrophobicContact CD1-CG2 4.07Å; I53-V58 HydrophobicContact CG1-CB 4.35Å; I53-V58 HydrophobicContact CG1-CG2 4.07Å; I53-V58 HydrophobicContact CG2-CB 4.12Å; V58-V62 WeakPolarHBondContact O-CG2 3.21Å; V58-V62 PolarHBondContact O-N 2.98Å
59V90.3Very high91.8Very high46 Ų4637.2 Ų37.228%0.27920%0.203SC..Hα-helixtrans-71.2-39.7179-179.50000111.1Y5 G57 V62 K63Y5-V59 HydrophobicContact CD2-CG2 3.79Å; Y5-V59 HydrophobicContact CE2-CG2 3.76Å; Y5-V59 HydrophobicContact CG-CG2 4.35Å; G57-V59 PolarHBondContact O-N 3.48Å; V59-V62 PolarHBondContact O-N 2.88Å; V59-K63 PolarHBondContact O-N 3.25Å; V59-K63 VanDerWaalsContact O-N 3.14Å
60S90.1Very high91.6Very high44 Ų4441.1 Ų41.131%0.30822%0.221SC..Hα-helixtrans-69.3-38.1178-161.60000111A56 G57 V62 K63 K64A56-S60 WeakPolarHBondContact O-CB 3.49Å; G57-S60 PolarHBondContact O-N 2.96Å; S60-V62 VanDerWaalsContact C-N 3.34Å; S60-V62 PolarHBondContact O-N 3.06Å; S60-K63 PolarHBondContact O-N 2.86Å; S60-K64 WeakPolarHBondContact O-CB 3.47Å; S60-K64 PolarHBondContact O-N 2.92Å
61A92.8Very high91.4Very high0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-55.9-47.8174.200000111.4L9 F33 M52 I53 G57 K64 T65L9-A61 HydrophobicContact CD2-CB 3.96Å; F33-A61 HydrophobicContact CE1-CB 4.25Å; M52-A61 HydrophobicContact CB-CB 3.98Å; I53-A61 HydrophobicContact CG1-CB 4.16Å; G57-A61 WeakPolarHBondContact O-CB 3.31Å; G57-A61 PolarHBondContact O-N 2.92Å; A61-K64 PolarHBondContact O-N 3.42Å; A61-T65 WeakPolarHBondContact O-CB 3.4Å; A61-T65 PolarHBondContact O-N 3.04Å; A61-T65 PolarHBondContact O-OG1 3.44Å
62V93.6Very high91.1Very high0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-62.3-46.3175.7176.90000111.6Y5 L9 V58 V59 S60 K64 T65 I66 L81 K85Y5-V62 HydrophobicContact CD1-CG2 4.16Å; L9-V62 HydrophobicContact CB-CG2 3.98Å; L9-V62 HydrophobicContact CD1-CG2 4.39Å; V58-V62 WeakPolarHBondContact O-CG2 3.21Å; V58-V62 PolarHBondContact O-N 2.98Å; V59-V62 PolarHBondContact O-N 2.88Å; S60-V62 VanDerWaalsContact C-N 3.34Å; S60-V62 PolarHBondContact O-N 3.06Å; V62-K64 PolarHBondContact O-N 3.29Å; V62-T65 WeakPolarHBondContact O-CB 3.5Å; V62-T65 PolarHBondContact O-N 3.46Å; V62-I66 HydrophobicContact CG1-CD1 4.21Å; V62-I66 WeakPolarHBondContact O-CG1 3.39Å; V62-I66 PolarHBondContact O-N 2.85Å; V62-L81 HydrophobicContact CG1-CD2 4.41Å; V62-L81 HydrophobicContact CG1-CG 4.09Å; V62-K85 HydrophobicContact CG1-CB 4.16Å; V62-K85 HydrophobicContact CG1-CD 4.12Å; V62-K85 HydrophobicContact CG1-CG 4.06Å
63K92.8Very high90.7Very high111 Ų11144.2 Ų44.248%0.48323%0.234SC..Hα-helixtrans-59.3-45.9178.4-74.2179.6179.5-179.60112.7V59 S60 T65 I66 L67 K85V59-K63 PolarHBondContact O-N 3.25Å; V59-K63 VanDerWaalsContact O-N 3.14Å; S60-K63 PolarHBondContact O-N 2.86Å; K63-T65 VanDerWaalsContact C-N 3.32Å; K63-I66 WeakPolarHBondContact O-CB 3.4Å; K63-I66 PolarHBondContact O-N 3.08Å; K63-L67 WeakPolarHBondContact O-CG 3.18Å; K63-L67 PolarHBondContact O-N 3.15Å; K63-L67 VanDerWaalsContact O-N 3.12Å; K63-K85 HydrophobicContact CG-CD 4.26Å
64K92.7Very high90.6Very high51 Ų5143.2 Ų43.222%0.22223%0.228CC..Hα-helixtrans-68.4-33.5178.5-76.3177.3168.2-78.30111.9E32 F33 S60 A61 V62 I66 L67 I68E32-K64 WeakPolarHBondContact O-CE 3.43Å; E32-K64 PolarHBondContact O-NZ 3.34Å; E32-K64 IonicContact OE2-NZ 3.93Å; E32-K64 PolarHBondContact OE2-NZ 3.39Å; F33-K64 HydrophobicContact CD1-CD 4.18Å; F33-K64 HydrophobicContact CD2-CB 4.49Å; F33-K64 HydrophobicContact CD2-CD 4.24Å; F33-K64 HydrophobicContact CE1-CB 4.23Å; F33-K64 HydrophobicContact CE1-CD 3.81Å; F33-K64 HydrophobicContact CE2-CB 3.45Å; F33-K64 VanDerWaalsContact CE2-CB 3.45Å; F33-K64 HydrophobicContact CE2-CD 3.88Å; F33-K64 HydrophobicContact CE2-CG 4.28Å; F33-K64 HydrophobicContact CG-CD 4.39Å; F33-K64 HydrophobicContact CZ-CB 3.3Å; F33-K64 HydrophobicContact CZ-CD 3.67Å; F33-K64 HydrophobicContact CZ-CG 4.11Å; S60-K64 WeakPolarHBondContact O-CB 3.47Å; S60-K64 PolarHBondContact O-N 2.92Å; A61-K64 PolarHBondContact O-N 3.42Å; V62-K64 PolarHBondContact O-N 3.29Å; K64-I66 VanDerWaalsContact C-N 3.34Å; K64-I66 PolarHBondContact O-N 3.37Å; K64-L67 PolarHBondContact O-N 3.27Å; K64-I68 VanDerWaalsContact O-CG1 3.28Å; K64-I68 WeakPolarHBondContact O-CG1 3.31Å; K64-I68 PolarHBondContact O-N 3.5Å
65T94.1Very high90.4Very high0 Ų040.7 Ų40.70%022%0.218CC..Hα-helixtrans-59.1-46.1170.9-54.60000111.2L9 F25 M52 A61 V62 K63 L67 I68 F69 L81L9-T65 HydrophobicContact CD1-CG2 4.07Å; L9-T65 WeakPolarHBondContact CD1-OG1 3.49Å; F25-T65 HydrophobicContact CE2-CG2 3.86Å; F25-T65 HydrophobicContact CZ-CG2 3.82Å; M52-T65 WeakPolarHBondContact CE-OG1 3.37Å; A61-T65 WeakPolarHBondContact O-CB 3.4Å; A61-T65 PolarHBondContact O-N 3.04Å; A61-T65 PolarHBondContact O-OG1 3.44Å; V62-T65 WeakPolarHBondContact O-CB 3.5Å; V62-T65 PolarHBondContact O-N 3.46Å; K63-T65 VanDerWaalsContact C-N 3.32Å; T65-L67 VanDerWaalsContact C-N 3.32Å; T65-L67 PolarHBondContact O-N 3.26Å; T65-I68 PolarHBondContact O-N 2.92Å; T65-F69 HydrophobicContact CG2-CD2 4.03Å; T65-F69 HydrophobicContact CG2-CE1 4.18Å; T65-F69 HydrophobicContact CG2-CE2 3.65Å; T65-F69 HydrophobicContact CG2-CG 4.45Å; T65-F69 HydrophobicContact CG2-CZ 3.74Å; T65-F69 WeakPolarHBondContact O-CB 3.35Å; T65-F69 WeakPolarHBondContact O-CG 3.24Å; T65-F69 PolarHBondContact O-N 2.76Å; T65-L81 HydrophobicContact CG2-CD2 3.49Å; T65-L81 VanDerWaalsContact CG2-CD2 3.49Å
66I93.4Very high90.1Very high5 Ų541.4 Ų41.43%0.02622%0.221CC..Hα-helixtrans-58.3-45.6176.1-64.8165.8000110.6V62 K63 K64 I68 F69 Q70 A78 L81 Q82 K85V62-I66 HydrophobicContact CG1-CD1 4.21Å; V62-I66 WeakPolarHBondContact O-CG1 3.39Å; V62-I66 PolarHBondContact O-N 2.85Å; K63-I66 WeakPolarHBondContact O-CB 3.4Å; K63-I66 PolarHBondContact O-N 3.08Å; K64-I66 VanDerWaalsContact C-N 3.34Å; K64-I66 PolarHBondContact O-N 3.37Å; I66-I68 PolarHBondContact O-N 3.44Å; I66-F69 PolarHBondContact O-N 3.35Å; I66-Q70 VanDerWaalsContact O-CG 3.31Å; I66-Q70 WeakPolarHBondContact O-CG 3.34Å; I66-Q70 PolarHBondContact O-N 2.97Å; I66-A78 HydrophobicContact CG2-CB 4.17Å; I66-L81 HydrophobicContact CD1-CB 4.49Å; I66-L81 HydrophobicContact CD1-CG 4.36Å; I66-L81 HydrophobicContact CG1-CB 3.98Å; I66-L81 HydrophobicContact CG1-CD2 3.67Å; I66-L81 HydrophobicContact CG1-CG 3.88Å; I66-Q82 HydrophobicContact CD1-CB 4.02Å; I66-K85 HydrophobicContact CD1-CD 4.14Å
67L91.8Very high90.1Very high80 Ų8040.3 Ų40.342%0.41921%0.21SC..Hα-helixtrans-62.2-42.4177.7-68.7172.1000112.3K63 K64 T65 Q70 K71K63-L67 WeakPolarHBondContact O-CG 3.18Å; K63-L67 PolarHBondContact O-N 3.15Å; K63-L67 VanDerWaalsContact O-N 3.12Å; K64-L67 PolarHBondContact O-N 3.27Å; T65-L67 VanDerWaalsContact C-N 3.32Å; T65-L67 PolarHBondContact O-N 3.26Å; L67-Q70 PolarHBondContact O-N 2.76Å; L67-K71 WeakPolarHBondContact O-CG 3.42Å; L67-K71 PolarHBondContact O-N 3.09Å
68I93.1Very high90.2Very high0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-65.4-44.2177.3-67.1166.2000110.3F25 F28 L29 E32 F33 K64 T65 I66 Q70 K71 L72F25-I68 HydrophobicContact CD2-CB 4.2Å; F25-I68 HydrophobicContact CD2-CG2 3.38Å; F25-I68 HydrophobicContact CE2-CB 3.76Å; F25-I68 HydrophobicContact CE2-CD1 4.16Å; F25-I68 HydrophobicContact CE2-CG2 3.46Å; F25-I68 VanDerWaalsContact CE2-CG2 3.46Å; F25-I68 HydrophobicContact CG-CG2 4.26Å; F25-I68 HydrophobicContact CZ-CD1 4.1Å; F25-I68 HydrophobicContact CZ-CG2 4.4Å; F28-I68 HydrophobicContact CB-CD1 4.4Å; F28-I68 HydrophobicContact CB-CG1 4.11Å; F28-I68 HydrophobicContact CB-CG2 3.72Å; F28-I68 HydrophobicContact CD2-CG2 4.47Å; F28-I68 HydrophobicContact CG-CG2 4.32Å; L29-I68 HydrophobicContact CD2-CD1 3.7Å; L29-I68 HydrophobicContact CG-CD1 4.34Å; E32-I68 HydrophobicContact CB-CD1 4.12Å; E32-I68 HydrophobicContact CB-CG1 4.5Å; E32-I68 HydrophobicContact CG-CD1 4.11Å; E32-I68 HydrophobicContact CG-CG1 3.93Å; F33-I68 HydrophobicContact CE2-CD1 4.02Å; K64-I68 VanDerWaalsContact O-CG1 3.28Å; K64-I68 WeakPolarHBondContact O-CG1 3.31Å; K64-I68 PolarHBondContact O-N 3.5Å; T65-I68 PolarHBondContact O-N 2.92Å; I66-I68 PolarHBondContact O-N 3.44Å; I68-Q70 VanDerWaalsContact C-N 3.31Å; I68-Q70 PolarHBondContact O-N 2.79Å; I68-K71 WeakPolarHBondContact O-CB 3.45Å; I68-K71 PolarHBondContact O-N 3.37Å; I68-K71 VanDerWaalsContact O-N 3.1Å; I68-L72 HydrophobicContact CG2-CD1 3.76Å; I68-L72 HydrophobicContact CG2-CG 4.32Å; I68-L72 WeakPolarHBondContact O-CB 3.47Å; I68-L72 WeakPolarHBondContact O-CG 3.27Å; I68-L72 PolarHBondContact O-N 2.83Å
69F93.1Very high90.2Very high0 Ų044.2 Ų44.20%022%0.217CC..Hα-helixtrans-59.6-40.5174.8-74.2-10.4000112.3I17 F25 T65 I66 K71 L72 N73 Y74 L77 A78 L81I17-F69 HydrophobicContact CD1-CE1 4.29Å; I17-F69 HydrophobicContact CG2-CE1 4.33Å; I17-F69 HydrophobicContact CG2-CZ 4.41Å; F25-F69 AromaticContact CD2-CD1 3.75Å; F25-F69 HydrophobicContact CD2-CD1 3.75Å; F25-F69 AromaticContact CD2-CE1 3.43Å; F25-F69 HydrophobicContact CD2-CE1 3.43Å; F25-F69 VanDerWaalsContact CD2-CE1 3.43Å; F25-F69 HydrophobicContact CD2-CZ 4.5Å; F25-F69 AromaticContact CE2-CD1 3.73Å; F25-F69 HydrophobicContact CE2-CD1 3.73Å; F25-F69 AromaticContact CE2-CE1 3.46Å; F25-F69 HydrophobicContact CE2-CE1 3.46Å; F25-F69 VanDerWaalsContact CE2-CE1 3.46Å; F25-F69 HydrophobicContact CE2-CZ 4.27Å; F25-F69 HydrophobicContact CG-CE1 4.45Å; T65-F69 HydrophobicContact CG2-CD2 4.03Å; T65-F69 HydrophobicContact CG2-CE1 4.18Å; T65-F69 HydrophobicContact CG2-CE2 3.65Å; T65-F69 HydrophobicContact CG2-CG 4.45Å; T65-F69 HydrophobicContact CG2-CZ 3.74Å; T65-F69 WeakPolarHBondContact O-CB 3.35Å; T65-F69 WeakPolarHBondContact O-CG 3.24Å; T65-F69 PolarHBondContact O-N 2.76Å; I66-F69 PolarHBondContact O-N 3.35Å; F69-K71 PolarHBondContact O-N 3.06Å; F69-L72 CarbonylContact O-C 3.54Å; F69-L72 PolarHBondContact O-N 2.62Å; F69-N73 PolarHBondContact O-N 3.36Å; F69-N73 VanDerWaalsContact O-N 3.11Å; F69-Y74 AromaticContact CD1-CD2 3.64Å; F69-Y74 HydrophobicContact CD1-CD2 3.64Å; F69-Y74 HydrophobicContact CD1-CE2 4.44Å; F69-Y74 HydrophobicContact CE1-CD2 4.07Å; F69-Y74 HydrophobicContact CG-CD2 4.3Å; F69-Y74 WeakPolarHBondContact O-CA 3.47Å; F69-Y74 PolarHBondContact O-N 3.01Å; F69-L77 HydrophobicContact CD2-CB 3.83Å; F69-L77 HydrophobicContact CE2-CB 4.01Å; F69-A78 HydrophobicContact CB-CB 3.89Å; F69-L81 HydrophobicContact CD2-CD2 4.14Å; F69-L81 HydrophobicContact CE2-CD2 3.98Å
70Q88.9Confident90.3Very high84 Ų8447.8 Ų47.839%0.39323%0.226SC..Hα-helixtrans-61.8-41.7172.8-71.3169.6-1100112.3I66 L67 I68 L72 N73 M75 A78I66-Q70 VanDerWaalsContact O-CG 3.31Å; I66-Q70 WeakPolarHBondContact O-CG 3.34Å; I66-Q70 PolarHBondContact O-N 2.97Å; L67-Q70 PolarHBondContact O-N 2.76Å; I68-Q70 VanDerWaalsContact C-N 3.31Å; I68-Q70 PolarHBondContact O-N 2.79Å; Q70-L72 VanDerWaalsContact C-N 3.31Å; Q70-L72 PolarHBondContact O-N 3.37Å; Q70-N73 PolarHBondContact O-N 2.95Å; Q70-N73 VanDerWaalsContact O-N 3.12Å; Q70-M75 HydrophobicContact CB-SD 4.35Å; Q70-M75 HydrophobicContact CG-SD 4.13Å; Q70-A78 HydrophobicContact CG-CB 3.75Å
71K88Confident90.4Very high81 Ų8145.7 Ų45.735%0.35221%0.211SC..Hα-helixtrans-64.3-35.8176.5-72.8174175.8-176.10112.8E32 L67 I68 F69 N73E32-K71 IonicContact OE1-NZ 3.54Å; E32-K71 PolarHBondContact OE1-NZ 2.91Å; L67-K71 WeakPolarHBondContact O-CG 3.42Å; L67-K71 PolarHBondContact O-N 3.09Å; I68-K71 WeakPolarHBondContact O-CB 3.45Å; I68-K71 PolarHBondContact O-N 3.37Å; I68-K71 VanDerWaalsContact O-N 3.1Å; F69-K71 PolarHBondContact O-N 3.06Å; K71-N73 PolarHBondContact O-N 2.81Å
72L86.9Confident90.5Very high25 Ų2548.9 Ų48.913%0.13123%0.226CC..THydrogen-bonded Turntrans-81.11.1176.1-69.9173000113.1R24 F25 F28 I68 F69 Q70 Y74R24-L72 HydrophobicContact CB-CD2 4.25Å; F25-L72 HydrophobicContact CB-CD1 4.29Å; F25-L72 HydrophobicContact CD2-CD1 4.22Å; F28-L72 HydrophobicContact CD2-CD1 4.27Å; F28-L72 HydrophobicContact CD2-CD2 3.67Å; F28-L72 HydrophobicContact CD2-CG 4.06Å; F28-L72 HydrophobicContact CE2-CD2 3.3Å; F28-L72 HydrophobicContact CE2-CG 4.15Å; F28-L72 HydrophobicContact CZ-CD2 4.17Å; I68-L72 HydrophobicContact CG2-CD1 3.76Å; I68-L72 HydrophobicContact CG2-CG 4.32Å; I68-L72 WeakPolarHBondContact O-CB 3.47Å; I68-L72 WeakPolarHBondContact O-CG 3.27Å; I68-L72 PolarHBondContact O-N 2.83Å; F69-L72 CarbonylContact O-C 3.54Å; F69-L72 PolarHBondContact O-N 2.62Å; Q70-L72 VanDerWaalsContact C-N 3.31Å; Q70-L72 PolarHBondContact O-N 3.37Å; L72-Y74 HydrophobicContact CB-CD1 3.96Å; L72-Y74 HydrophobicContact CB-CD2 3.83Å; L72-Y74 HydrophobicContact CB-CE1 3.85Å; L72-Y74 HydrophobicContact CB-CE2 3.74Å; L72-Y74 HydrophobicContact CB-CG 3.92Å; L72-Y74 HydrophobicContact CD1-CD2 4.04Å; L72-Y74 HydrophobicContact CD1-CE2 3.49Å; L72-Y74 VanDerWaalsContact CD1-CE2 3.49Å; L72-Y74 HydrophobicContact CG-CE2 4.2Å; L72-Y74 VanDerWaalsContact O-CD1 3.24Å; L72-Y74 WeakPolarHBondContact O-CD1 3.38Å; L72-Y74 WeakPolarHBondContact O-CE1 3.37Å; L72-Y74 PolarHBondContact O-N 3.48Å
73N85.8Confident90.4Very high42 Ų4252.8 Ų52.823%0.22524%0.244CC..THydrogen-bonded Turntrans62.321.7-174.2-160.847.1000114.5F69 Q70 K71 M75F69-N73 PolarHBondContact O-N 3.36Å; F69-N73 VanDerWaalsContact O-N 3.11Å; Q70-N73 PolarHBondContact O-N 2.95Å; Q70-N73 VanDerWaalsContact O-N 3.12Å; K71-N73 PolarHBondContact O-N 2.81Å; N73-M75 PolarHBondContact O-N 2.67Å
74Y88.9Confident90.4Very high16 Ų1650.1 Ų50.16%0.06323%0.233CC..  trans-80.456.4172.1-54-15.4000110.2I17 E21 F69 L72 L76 L77 A78I17-Y74 HydrophobicContact CG2-CD2 4.19Å; I17-Y74 HydrophobicContact CG2-CE2 4.18Å; E21-Y74 HydrophobicContact CB-CE2 4.33Å; E21-Y74 WeakPolarHBondContact CB-OH 3.09Å; E21-Y74 WeakPolarHBondContact CG-OH 3.27Å; F69-Y74 AromaticContact CD1-CD2 3.64Å; F69-Y74 HydrophobicContact CD1-CD2 3.64Å; F69-Y74 HydrophobicContact CD1-CE2 4.44Å; F69-Y74 HydrophobicContact CE1-CD2 4.07Å; F69-Y74 HydrophobicContact CG-CD2 4.3Å; F69-Y74 WeakPolarHBondContact O-CA 3.47Å; F69-Y74 PolarHBondContact O-N 3.01Å; L72-Y74 HydrophobicContact CB-CD1 3.96Å; L72-Y74 HydrophobicContact CB-CD2 3.83Å; L72-Y74 HydrophobicContact CB-CE1 3.85Å; L72-Y74 HydrophobicContact CB-CE2 3.74Å; L72-Y74 HydrophobicContact CB-CG 3.92Å; L72-Y74 HydrophobicContact CD1-CD2 4.04Å; L72-Y74 HydrophobicContact CD1-CE2 3.49Å; L72-Y74 VanDerWaalsContact CD1-CE2 3.49Å; L72-Y74 HydrophobicContact CG-CE2 4.2Å; L72-Y74 VanDerWaalsContact O-CD1 3.24Å; L72-Y74 WeakPolarHBondContact O-CD1 3.38Å; L72-Y74 WeakPolarHBondContact O-CE1 3.37Å; L72-Y74 PolarHBondContact O-N 3.48Å; Y74-L76 PolarHBondContact O-N 3.35Å; Y74-L77 PolarHBondContact O-N 2.83Å; Y74-A78 WeakPolarHBondContact O-CB 3.08Å; Y74-A78 PolarHBondContact O-N 3.4Å
75M85.8Confident90.3Very high104 Ų10448.4 Ų48.451%0.51223%0.226SC..Hα-helixtrans-64.6-34.6-166.7-68.8-63.3-77.300113.6Q70 N73 K79Q70-M75 HydrophobicContact CB-SD 4.35Å; Q70-M75 HydrophobicContact CG-SD 4.13Å; N73-M75 PolarHBondContact O-N 2.67Å; M75-K79 VanDerWaalsContact O-CB 3.29Å; M75-K79 WeakPolarHBondContact O-CB 3.11Å; M75-K79 PolarHBondContact O-N 2.82Å
76L82.1Confident90.3Very high99 Ų9952.1 Ų52.152%0.51824%0.243SC..Hα-helixtrans-70.6-40.9175.8-67.7-169.1000112.4Y74 K79 R80 E171Y74-L76 PolarHBondContact O-N 3.35Å; L76-K79 PolarHBondContact O-N 2.86Å; L76-R80 WeakPolarHBondContact O-CB 3.49Å; L76-R80 PolarHBondContact O-N 2.98Å; L76-E171 HydrophobicContact CD1-CB 4.35Å; L76-E171 WeakPolarHBondContact CD1-O 3.13Å
77L87.9Confident90.2Very high11 Ų1157.5 Ų57.56%0.05827%0.266CS..Hα-helixtrans-65.3-43.4174.8-68.2179.2000110.6N16 I17 F69 Y74 K79 R80 L81N16-L77 HydrophobicContact CB-CD1 4.31Å; N16-L77 HydrophobicContact CB-CD2 3.6Å; I17-L77 HydrophobicContact CG2-CD1 3.5Å; F69-L77 HydrophobicContact CD2-CB 3.83Å; F69-L77 HydrophobicContact CE2-CB 4.01Å; Y74-L77 PolarHBondContact O-N 2.83Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 2.97Å; L77-R80 PolarHBondContact O-N 3.07Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 PolarHBondContact O-N 2.92Å
78A91.7Very high90Very high2 Ų254.2 Ų54.22%0.01725%0.249CC..Hα-helixtrans-57-45.4173.100000111.8I66 F69 Q70 Y74 Q82I66-A78 HydrophobicContact CG2-CB 4.17Å; F69-A78 HydrophobicContact CB-CB 3.89Å; Q70-A78 HydrophobicContact CG-CB 3.75Å; Y74-A78 WeakPolarHBondContact O-CB 3.08Å; Y74-A78 PolarHBondContact O-N 3.4Å; A78-Q82 VanDerWaalsContact O-CB 3.24Å; A78-Q82 WeakPolarHBondContact O-CB 3.49Å; A78-Q82 PolarHBondContact O-N 2.88Å
79K91.3Very high89.8Confident127 Ų12756.4 Ų56.455%0.55226%0.261SS*.Hα-helixtrans-65.6-48.6178.2-169.5-174.9-178.4-165.90112M75 L76 L77 L81 Q82 E83M75-K79 VanDerWaalsContact O-CB 3.29Å; M75-K79 WeakPolarHBondContact O-CB 3.11Å; M75-K79 PolarHBondContact O-N 2.82Å; L76-K79 PolarHBondContact O-N 2.86Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 2.97Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-L81 PolarHBondContact O-N 2.85Å; K79-Q82 WeakPolarHBondContact O-CB 3.41Å; K79-Q82 PolarHBondContact O-N 2.91Å; K79-E83 WeakPolarHBondContact CE-OE1 3.4Å; K79-E83 IonicContact NZ-OE1 2.77Å; K79-E83 WeakPolarHBondContact O-CG 3.43Å; K79-E83 PolarHBondContact O-N 2.76Å
80R91.3Very high89.5Confident122 Ų12263 Ų6346%0.4629%0.29SS..Hα-helixtrans-59.9-45.1178.3-174-176.2-68178.8-0.3111.1T12 L76 L77 Q82 E83 E84T12-R80 HydrophobicContact CG2-CB 4.46Å; T12-R80 HydrophobicContact CG2-CG 3.71Å; L76-R80 WeakPolarHBondContact O-CB 3.49Å; L76-R80 PolarHBondContact O-N 2.98Å; L77-R80 PolarHBondContact O-N 3.07Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.99Å; R80-E83 PolarHBondContact O-N 3.18Å; R80-E84 PolarHBondContact O-N 3.32Å
81L92.7Very high89.2Confident0 Ų065 Ų650%030%0.298CS..Hα-helixtrans-65.3-37.4178.6-164.569.5000111.4I8 T12 V62 T65 I66 F69 L77 K79 K85I8-L81 HydrophobicContact CG2-CD1 3.42Å; I8-L81 VanDerWaalsContact CG2-CD1 3.42Å; I8-L81 HydrophobicContact CG2-CG 4.45Å; I8-L81 WeakPolarHBondContact O-CD1 3.36Å; T12-L81 HydrophobicContact CG2-CD1 4.07Å; V62-L81 HydrophobicContact CG1-CD2 4.41Å; V62-L81 HydrophobicContact CG1-CG 4.09Å; T65-L81 HydrophobicContact CG2-CD2 3.49Å; T65-L81 VanDerWaalsContact CG2-CD2 3.49Å; I66-L81 HydrophobicContact CD1-CB 4.49Å; I66-L81 HydrophobicContact CD1-CG 4.36Å; I66-L81 HydrophobicContact CG1-CB 3.98Å; I66-L81 HydrophobicContact CG1-CD2 3.67Å; I66-L81 HydrophobicContact CG1-CG 3.88Å; F69-L81 HydrophobicContact CD2-CD2 4.14Å; F69-L81 HydrophobicContact CE2-CD2 3.98Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 PolarHBondContact O-N 2.92Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-L81 PolarHBondContact O-N 2.85Å; L81-K85 WeakPolarHBondContact O-CB 3.37Å; L81-K85 PolarHBondContact O-N 2.74Å
82Q94.6Very high88.4Confident66 Ų6664.2 Ų64.231%0.30829%0.293SS..Hα-helixtrans-64.4-45.1172.2179.6653400112.1I66 A78 K79 R80 K85 E86I66-Q82 HydrophobicContact CD1-CB 4.02Å; A78-Q82 VanDerWaalsContact O-CB 3.24Å; A78-Q82 WeakPolarHBondContact O-CB 3.49Å; A78-Q82 PolarHBondContact O-N 2.88Å; K79-Q82 WeakPolarHBondContact O-CB 3.41Å; K79-Q82 PolarHBondContact O-N 2.91Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.99Å; Q82-K85 WeakPolarHBondContact O-CB 3.41Å; Q82-K85 PolarHBondContact O-N 2.71Å; Q82-E86 PolarHBondContact NE2-OE1 3.35Å; Q82-E86 WeakPolarHBondContact O-CG 3.2Å; Q82-E86 PolarHBondContact O-N 2.84Å
83E91.8Very high87.4Confident83 Ų8370.5 Ų70.539%0.38832%0.319SS..Hα-helixtrans-63.1-46.3178.2-73.5172-17400111.9K79 R80 K85 E86 K87K79-E83 WeakPolarHBondContact CE-OE1 3.4Å; K79-E83 IonicContact NZ-OE1 2.77Å; K79-E83 WeakPolarHBondContact O-CG 3.43Å; K79-E83 PolarHBondContact O-N 2.76Å; R80-E83 PolarHBondContact O-N 3.18Å; E83-K85 VanDerWaalsContact C-N 3.35Å; E83-E86 PolarHBondContact O-N 2.77Å; E83-K87 WeakPolarHBondContact O-CG 3.34Å; E83-K87 PolarHBondContact O-N 3.39Å
84E91.7Very high85.9Confident55 Ų5572.4 Ų72.426%0.25734%0.335SS..Hα-helixtrans-64-41176.4-72.3-52.7131.300111.8I8 T12 R80 E86 K87 V88I8-E84 HydrophobicContact CD1-CB 3.94Å; I8-E84 HydrophobicContact CG1-CB 4.12Å; I8-E84 HydrophobicContact CG2-CB 3.92Å; T12-E84 HydrophobicContact CG2-CG 4.25Å; R80-E84 PolarHBondContact O-N 3.32Å; E84-E86 VanDerWaalsContact C-N 3.32Å; E84-E86 PolarHBondContact O-N 2.93Å; E84-K87 PolarHBondContact O-N 3.38Å; E84-K87 IonicContact OE1-NZ 3.3Å; E84-K87 PolarHBondContact OE1-NZ 2.88Å; E84-V88 WeakPolarHBondContact O-CG2 3.36Å; E84-V88 PolarHBondContact O-N 2.98Å
85K92.3Very high84.2Confident15 Ų1577.1 Ų77.17%0.06537%0.366CS..Hα-helixtrans-58.3-44.4173-173.1-159.6161.1-68.70111.3Y5 V62 K63 I66 L81 Q82 E83 V88 D89Y5-K85 HydrophobicContact CE1-CB 4.36Å; Y5-K85 HydrophobicContact CE1-CG 3.66Å; Y5-K85 PolarHBondContact OH-O 3.22Å; V62-K85 HydrophobicContact CG1-CB 4.16Å; V62-K85 HydrophobicContact CG1-CD 4.12Å; V62-K85 HydrophobicContact CG1-CG 4.06Å; K63-K85 HydrophobicContact CG-CD 4.26Å; I66-K85 HydrophobicContact CD1-CD 4.14Å; L81-K85 WeakPolarHBondContact O-CB 3.37Å; L81-K85 PolarHBondContact O-N 2.74Å; Q82-K85 WeakPolarHBondContact O-CB 3.41Å; Q82-K85 PolarHBondContact O-N 2.71Å; E83-K85 VanDerWaalsContact C-N 3.35Å; K85-V88 PolarHBondContact O-N 2.87Å; K85-D89 IonicContact NZ-OD2 3.86Å; K85-D89 PolarHBondContact NZ-OD2 2.8Å; K85-D89 PolarHBondContact O-N 2.9Å
86E92.2Very high82.4Confident77 Ų7777.5 Ų77.536%0.3637%0.374SS..Hα-helixtrans-66.3-37.7177.3-76.8177.9-160.400113.3Q82 E83 E84 V88 D89 K90Q82-E86 PolarHBondContact NE2-OE1 3.35Å; Q82-E86 WeakPolarHBondContact O-CG 3.2Å; Q82-E86 PolarHBondContact O-N 2.84Å; E83-E86 PolarHBondContact O-N 2.77Å; E84-E86 VanDerWaalsContact C-N 3.32Å; E84-E86 PolarHBondContact O-N 2.93Å; E86-V88 VanDerWaalsContact C-N 3.3Å; E86-V88 PolarHBondContact O-N 3.4Å; E86-D89 PolarHBondContact O-N 2.99Å; E86-K90 WeakPolarHBondContact O-CB 3.35Å; E86-K90 VanDerWaalsContact O-CG 3.28Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 2.86Å
87K91.3Very high80.2Confident118 Ų11881.6 Ų81.651%0.51339%0.388SS..Hα-helixtrans-59.6-43.4173.4-72.5173.8-171.8171.90110.8E83 E84 K91E83-K87 WeakPolarHBondContact O-CG 3.34Å; E83-K87 PolarHBondContact O-N 3.39Å; E84-K87 PolarHBondContact O-N 3.38Å; E84-K87 IonicContact OE1-NZ 3.3Å; E84-K87 PolarHBondContact OE1-NZ 2.88Å; K87-K91 WeakPolarHBondContact O-CB 3.27Å; K87-K91 PolarHBondContact O-N 3.46Å
88V88.9Confident77.9Confident11 Ų1186.8 Ų86.87%0.06742%0.422CS..Hα-helixtrans-65.3-48176.1176.80000111K4 Y5 I8 E84 K85 E86 K90 K91 Y92K4-V88 HydrophobicContact CB-CG1 4.38Å; K4-V88 HydrophobicContact CB-CG2 4.26Å; Y5-V88 HydrophobicContact CD1-CG1 4.44Å; Y5-V88 HydrophobicContact CD2-CG1 4.08Å; Y5-V88 HydrophobicContact CE1-CB 4.03Å; Y5-V88 HydrophobicContact CE1-CG1 3.88Å; Y5-V88 HydrophobicContact CE2-CB 4.49Å; Y5-V88 HydrophobicContact CE2-CG1 3.53Å; Y5-V88 VanDerWaalsContact CZ-CG1 3.41Å; I8-V88 HydrophobicContact CD1-CB 4.43Å; I8-V88 HydrophobicContact CD1-CG2 3.33Å; E84-V88 WeakPolarHBondContact O-CG2 3.36Å; E84-V88 PolarHBondContact O-N 2.98Å; K85-V88 PolarHBondContact O-N 2.87Å; E86-V88 VanDerWaalsContact C-N 3.3Å; E86-V88 PolarHBondContact O-N 3.4Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 2.95Å; V88-K91 PolarHBondContact O-N 3.3Å; V88-Y92 HydrophobicContact CG1-CD2 3.72Å; V88-Y92 HydrophobicContact CG1-CE2 3.7Å; V88-Y92 VanDerWaalsContact O-CD2 3.23Å; V88-Y92 WeakPolarHBondContact O-CD2 3.48Å; V88-Y92 PolarHBondContact O-N 3.36Å; V88-Y92 VanDerWaalsContact O-N 3.14Å
89D87.8Confident74.9Confident47 Ų4796.4 Ų96.425%0.25146%0.464SS..Hα-helixtrans-56.3-45.2176.6-80.8-34.1000112.2Y5 K85 E86 Y92 K93Y5-D89 PolarHBondContact OH-N 3.17Å; Y5-D89 PolarHBondContact OH-OD1 2.83Å; K85-D89 IonicContact NZ-OD2 3.86Å; K85-D89 PolarHBondContact NZ-OD2 2.8Å; K85-D89 PolarHBondContact O-N 2.9Å; E86-D89 PolarHBondContact O-N 2.99Å; D89-Y92 PolarHBondContact O-N 2.9Å; D89-K93 WeakPolarHBondContact O-CB 3.29Å; D89-K93 WeakPolarHBondContact O-CG 3.21Å; D89-K93 PolarHBondContact O-N 3.15Å
90K87.8Confident72Confident139 Ų13996.4 Ų96.460%0.60448%0.476SS*.Hα-helixtrans-62.9-44.2178-74.4171.9-175.51710111.9E86 V88 Y92 K93 S94E86-K90 WeakPolarHBondContact O-CB 3.35Å; E86-K90 VanDerWaalsContact O-CG 3.28Å; E86-K90 WeakPolarHBondContact O-CG 3.46Å; E86-K90 PolarHBondContact O-N 2.86Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 2.95Å; K90-Y92 PolarHBondContact O-N 3.41Å; K90-K93 PolarHBondContact O-N 3.02Å; K90-S94 PolarHBondContact O-N 3.1Å; K90-S94 PolarHBondContact O-OG 3.01Å
91K82.8Confident69.3Low126 Ų12697.7 Ų97.755%0.54849%0.492SS..Hα-helixtrans-63.5-28.4179.5-172.9165.1-177159.60112.8K87 V88 S94 V95K87-K91 WeakPolarHBondContact O-CB 3.27Å; K87-K91 PolarHBondContact O-N 3.46Å; V88-K91 PolarHBondContact O-N 3.3Å; K91-S94 PolarHBondContact O-OG 2.87Å; K91-S94 VanDerWaalsContact O-OG 3.1Å; K91-V95 WeakPolarHBondContact O-CG2 3.46Å
92Y70.7Confident66.5Low64 Ų64103.3 Ų103.325%0.25153%0.531SS..Hα-helixtrans-89.5-33.1176.3-76.4-72.2000113.2M1 K4 V88 D89 K90 S94 V95 T96M1-Y92 VanDerWaalsContact CA-OH 3.23Å; M1-Y92 WeakPolarHBondContact CA-OH 3.4Å; M1-Y92 HydrophobicContact CB-CD1 4.39Å; M1-Y92 HydrophobicContact CB-CD2 4.28Å; M1-Y92 HydrophobicContact CB-CE1 4.01Å; M1-Y92 HydrophobicContact CB-CE2 3.88Å; M1-Y92 HydrophobicContact CE-CD1 3.77Å; M1-Y92 HydrophobicContact CE-CD2 4.02Å; M1-Y92 HydrophobicContact CE-CG 3.51Å; M1-Y92 HydrophobicContact CG-CD2 3.79Å; M1-Y92 HydrophobicContact CG-CE2 3.75Å; M1-Y92 HydrophobicContact CG-CG 4.22Å; M1-Y92 PolarHBondContact N-OH 3.08Å; M1-Y92 VanDerWaalsContact N-OH 3.08Å; K4-Y92 HydrophobicContact CD-CE2 4.37Å; V88-Y92 HydrophobicContact CG1-CD2 3.72Å; V88-Y92 HydrophobicContact CG1-CE2 3.7Å; V88-Y92 VanDerWaalsContact O-CD2 3.23Å; V88-Y92 WeakPolarHBondContact O-CD2 3.48Å; V88-Y92 PolarHBondContact O-N 3.36Å; V88-Y92 VanDerWaalsContact O-N 3.14Å; D89-Y92 PolarHBondContact O-N 2.9Å; K90-Y92 PolarHBondContact O-N 3.41Å; Y92-S94 VanDerWaalsContact C-N 3.32Å; Y92-S94 PolarHBondContact O-N 2.92Å; Y92-V95 PolarHBondContact O-N 3.13Å; Y92-T96 PolarHBondContact O-OG1 3.19Å
93K66.4Low63.7Low156 Ų156108.2 Ų108.268%0.67855%0.554SS**Hα-helixtrans-65.4-31.4171.8-74.8-179.1-179.7-175.70113.1D89 K90 V95 T96D89-K93 WeakPolarHBondContact O-CB 3.29Å; D89-K93 WeakPolarHBondContact O-CG 3.21Å; D89-K93 PolarHBondContact O-N 3.15Å; K90-K93 PolarHBondContact O-N 3.02Å; K93-V95 VanDerWaalsContact C-N 3.28Å; K93-V95 PolarHBondContact O-N 2.74Å; K93-T96 PolarHBondContact O-N 2.84Å
94S53.2Low60.7Low82 Ų82109.1 Ų109.157%0.57358%0.576SS**THydrogen-bonded Turntrans-72.2-19175.860.60000114K90 K91 Y92K90-S94 PolarHBondContact O-N 3.1Å; K90-S94 PolarHBondContact O-OG 3.01Å; K91-S94 PolarHBondContact O-OG 2.87Å; K91-S94 VanDerWaalsContact O-OG 3.1Å; Y92-S94 VanDerWaalsContact C-N 3.32Å; Y92-S94 PolarHBondContact O-N 2.92Å
95V54.2Low57.7Low115 Ų115115 Ų11570%0.69760%0.603SS**THydrogen-bonded Turntrans-86.4-15.6177.4178.60000111.5K91 Y92 K93K91-V95 WeakPolarHBondContact O-CG2 3.46Å; Y92-V95 PolarHBondContact O-N 3.13Å; K93-V95 VanDerWaalsContact C-N 3.28Å; K93-V95 PolarHBondContact O-N 2.74Å
96T46.8Very low54.5Low112 Ų112122.4 Ų122.469%0.68764%0.64SS**  trans-108.941.7-179.49.50000112.9Y92 K93Y92-T96 PolarHBondContact O-OG1 3.19Å; K93-T96 PolarHBondContact O-N 2.84Å
97K36.3Very low51.5Low185 Ų185124 Ų12480%0.80466%0.66SS**PPolyproline II helixtrans-78.7122.6160.8-83.8-169.3-179.5-175.70109.1
98P39.6Very low49.5Very low121 Ų121124.3 Ų124.379%0.78667%0.674SS**PPolyproline II helixtrans-69.4136.6171.2-6.521.6000110.1
99K28.9Very low46.5Very low204 Ų204128.2 Ų128.289%0.88771%0.707SS**PPolyproline II helixtrans-65.4140.7161.9-95.1176.9173.61790109
100P31.4Very low43.6Very low126 Ų126130.4 Ų130.482%0.81873%0.732SS**PPolyproline II helixtrans-76.9152.8178.423.6-18.7000112.8
101L34.6Very low40.9Very low149 Ų149129.4 Ų129.478%0.7874%0.742SS**  trans-20.4137.2177.8-101.973000118.6Q103L101-Q103 HydrophobicContact CD2-CG 4.28Å
102S32.7Very low38.3Very low118 Ų118127.9 Ų127.983%0.82575%0.753SS**  trans-131.2114.6132.759.10000108.6
103Q37Very low36.2Very low170 Ų170129.2 Ų129.279%0.79478%0.777SS**  trans-64.6136.7162.9-77.6169.6-69.200109.8L101L101-Q103 HydrophobicContact CD2-CG 4.28Å
104A27.6Very low34.5Very low102 Ų102129.1 Ų129.184%0.84378%0.783SS**  trans-153.2115.8144.700000107.9
105E28.5Very low33.4Very low177 Ų177135.6 Ų135.683%0.82779%0.794SS**  trans-63.7146.6172.7-63.2168.8122.100111.1
106M25.4Very low32.4Very low171 Ų171136.3 Ų136.384%0.84279%0.794SS**  171.2118.1109.8-88.2-157.1-161.900112.3
107S29.5Very low31.6Very low111 Ų111137.3 Ų137.378%0.77680%0.796SS**  trans81149.1131.6-60.40000123.4
108P48.5Very low31.2Very low125 Ų125133.9 Ų133.981%0.81279%0.79SS**  trans-117.5158.4-162.538.1-20.6000114.1
109A27.4Very low30.7Very low93 Ų93132.6 Ų132.677%0.76978%0.78SS**  trans-158.9112.3160.800000107.6
110A26.4Very low30.8Very low93 Ų93131 Ų13177%0.76977%0.773SS**  60.9132.391.400000111.9
111S31.6Very low30.6Very low118 Ų118131.9 Ų131.983%0.82577%0.766SS**  cis-174.6-179.95.8-94.10000107.3
112A27.8Very low30.3Very low93 Ų93135.6 Ų135.677%0.76977%0.77SS**  trans101.593164.600000114.3
113A27.1Very low29.9Very low92 Ų92134.4 Ų134.476%0.7677%0.767SS**  66.2123.18000000110.8
114I30.9Very low29.5Very low154 Ų154130.7 Ų130.779%0.7977%0.765SS**  -166.7120.972.7-80.3166.7000106
115R30.1Very low30Very low218 Ų218131 Ų13182%0.82376%0.759SS**  50134.7108.9-74.7-168.5-175.7172.41.7114.4
116N31.4Very low29.8Very low130 Ų130132 Ų13270%0.69576%0.76SS**  cis-169.9138.723.5-102.7-7.7000107.1
117D30.2Very low29.7Very low134 Ų134128.5 Ų128.572%0.71776%0.759SS**  86.2108.797.5-14351.3000111.8
118V29.6Very low29.7Very low112 Ų112128.8 Ų128.868%0.67976%0.761SS**  78.4139.3103.61580000111.7
119T29.1Very low29Very low94 Ų94129.2 Ų129.258%0.57776%0.764SS**  cis-175.4153.9-4.3-820000106.6
120K29.2Very low29.1Very low170 Ų170133.7 Ų133.774%0.73977%0.768SS**  trans82.9117.4147.8-91171.6-166.7176.40123.2
121Q28.7Very low29.2Very low146 Ų146136.2 Ų136.268%0.68277%0.774SS**  71.3110.5118.6-81.6177.2-51.300121.5
122R27Very low29.1Very low226 Ų226139.8 Ų139.885%0.85378%0.775SS**  74.2112.8109.4-152.2-175.6-160.5-163.54.2117.7
123A26Very low29Very low93 Ų93141.3 Ų141.377%0.76978%0.776SS**  160.2137.210700000111.9
124A27.1Very low29.2Very low92 Ų92145.4 Ų145.476%0.7678%0.78SS**  trans-72.9179.8160.600000109.8
125P38.3Very low29.4Very low109 Ų109147.8 Ų147.871%0.70879%0.788SS**  cis-153.7-172.522.841-17000118.8
126K24.6Very low29.4Very low197 Ų197146.6 Ų146.686%0.85779%0.789SS**  trans84.3119.4153.9-69.1-177.5179.9-177.90120
127A24.4Very low29.3Very low99 Ų99149.2 Ų149.282%0.81880%0.797SS**  156.6142.994.500000112.2
128S28.3Very low29.2Very low116 Ų116155 Ų15581%0.81181%0.808SS**  trans-78.2174.9179.9-50.90000114.1
129P33.5Very low29.2Very low134 Ų134155.6 Ų155.687%0.8781%0.812SS**  -136.9156.2117.822.8-3.1000116.2
130H28.9Very low29.5Very low187 Ų187155.7 Ų155.787%0.86682%0.823SS**  trans-69.8151.9179-86.1-47.6000116.2
131V29.3Very low29.6Very low146 Ų146155.2 Ų155.289%0.88582%0.823SS**  trans-142.3151.2141-176.10000110.4
132K28.8Very low30Very low194 Ų194156.7 Ų156.784%0.84383%0.83SS**PPolyproline II helixtrans-65.3168.1-154.9-80.5171.2174.2176.20120.4
133P27.7Very low30.1Very low124 Ų124154.1 Ų154.181%0.80583%0.828SS**PPolyproline II helixtrans-93.7132.4-176.135.2-27.9000113.6
134E29.6Very low30.7Very low179 Ų179153.7 Ų153.784%0.83682%0.819SS**PPolyproline II helixtrans-92.2120.8169.4-80.2-172.315600111.5K136E134-K136 PolarHBondContact O-N 2.98Å
135Q35.3Very low31.8Very low204 Ų204154.6 Ų154.695%0.95381%0.81SS**  trans-65.5106.1167.9-108.6167.7-18.900109.8
136K31.1Very low32.4Very low193 Ų193157.7 Ų157.784%0.83981%0.807SS**  trans-94.3114.2165.3-94.1177.3178.2173.20110.4E134 R138E134-K136 PolarHBondContact O-N 2.98Å; K136-R138 PolarHBondContact O-N 3.04Å
137Q28.2Very low34.2Very low185 Ų185152.2 Ų152.286%0.86479%0.785SS**  trans-35.3124.3164.8-95.6164.7-34.700112V139Q137-V139 PolarHBondContact O-N 3.2Å
138R28.1Very low36.8Very low254 Ų254151.8 Ų151.896%0.95877%0.766SS**  trans-64.996162.2-87.1-174.4171.7-164.5-1.1108.3K136 A140K136-R138 PolarHBondContact O-N 3.04Å; R138-A140 PolarHBondContact O-N 3.17Å
139V29.4Very low39.4Very low126 Ų126148.9 Ų148.976%0.76474%0.738SS**  trans-72118.2153.1179.90000105.5Q137 Q141Q137-V139 PolarHBondContact O-N 3.2Å; V139-Q141 PolarHBondContact O-N 3.09Å
140A36.6Very low41.6Very low96 Ų96146 Ų14679%0.79371%0.71SS**  trans-55.3100.2174.300000108.6R138 Q142R138-A140 PolarHBondContact O-N 3.17Å; A140-Q142 PolarHBondContact O-N 3.4Å; A140-Q142 VanDerWaalsContact O-N 3.08Å
141Q30.3Very low44Very low159 Ų159144.6 Ų144.674%0.74370%0.702SS**  trans-66.6108.3164.2-90.3179.2-3.500106.1V139 E143V139-Q141 PolarHBondContact O-N 3.09Å; Q141-E143 PolarHBondContact O-N 2.89Å; Q141-E143 VanDerWaalsContact O-N 3.15Å
142Q36.6Very low46.9Very low178 Ų178140.7 Ų140.783%0.83268%0.676SS**  trans-28.9118.7152.3-166.190.115.400108.3A140 S144A140-Q142 PolarHBondContact O-N 3.4Å; A140-Q142 VanDerWaalsContact O-N 3.08Å; Q142-S144 PolarHBondContact O-N 3.25Å
143E30.7Very low49.9Very low172 Ų172135.5 Ų135.580%0.80466%0.663SS**  trans-62.587.2176.4-71.5-179.8156.700108.5Q141 I145Q141-E143 PolarHBondContact O-N 2.89Å; Q141-E143 VanDerWaalsContact O-N 3.15Å; E143-I145 PolarHBondContact O-N 3.05Å
144S37.9Very low53.1Low83 Ų83131 Ų13158%0.5863%0.632SS**  trans-59.3122.1166.658.80000106.7Q142 R146Q142-S144 PolarHBondContact O-N 3.25Å; S144-R146 VanDerWaalsContact O-CG 3.26Å; S144-R146 WeakPolarHBondContact O-CG 2.96Å; S144-R146 PolarHBondContact O-N 3.14Å
145I49.3Very low56.3Low111 Ų111124.4 Ų124.457%0.56961%0.605SS**  trans-25.398.2175.1-63.6161.1000110.6E143 E147 S216E143-I145 PolarHBondContact O-N 3.05Å; I145-E147 PolarHBondContact O-N 2.85Å; I145-S216 VanDerWaalsContact CG2-OG 3.23Å; I145-S216 WeakPolarHBondContact CG2-OG 3.33Å
146R51.9Low59.2Low175 Ų175114.7 Ų114.766%0.6656%0.559SS**  trans-86.3109.8-178.3-67.3-172.1179.5-1710.4107.8S144S144-R146 VanDerWaalsContact O-CG 3.26Å; S144-R146 WeakPolarHBondContact O-CG 2.96Å; S144-R146 PolarHBondContact O-N 3.14Å
147E62.3Low62.4Low81 Ų81106.7 Ų106.738%0.37953%0.525SS..  trans-74.9116.1160.6-56.1-169.2156.500106.8R24 I145 H215R24-E147 IonicContact CZ-OE1 3.01Å; R24-E147 IonicContact NE-OE1 3.9Å; R24-E147 IonicContact NE-OE2 2.68Å; R24-E147 IonicContact NH2-OE1 2.7Å; R24-E147 PolarHBondContact NH2-OE1 2.92Å; I145-E147 PolarHBondContact O-N 2.85Å; E147-H215 VanDerWaalsContact CD-CE1 3.45Å; E147-H215 WeakPolarHBondContact CG-ND1 3.38Å; E147-H215 IonicContact OE1-CE1 2.76Å; E147-H215 PolarHBondContact OE1-CE1 2.84Å; E147-H215 VanDerWaalsContact OE1-CE1 3.3Å; E147-H215 IonicContact OE1-ND1 3.59Å; E147-H215 PolarHBondContact OE1-ND1 3.2Å
148E79.6Confident65.7Low91 Ų9197.9 Ų97.943%0.42548%0.484SS..EExtended strand (participates in β ladder)trans-117.1119.5-178.9-166.9179.5155.100110.1R150 Q214E148-R150 PolarHBondContact O-N 3.16Å; E148-R150 WeakPolarHBondContact OE1-CD 3.41Å; E148-R150 IonicContact OE1-CZ 3.05Å; E148-R150 IonicContact OE1-NE 3.93Å; E148-R150 IonicContact OE1-NH1 2.67Å; E148-R150 PolarHBondContact OE1-NH1 3.03Å; E148-Q214 PolarHBondContact N-O 2.78Å; E148-Q214 PolarHBondContact O-N 2.61Å
149F81.3Confident69.1Low54 Ų5487.6 Ų87.624%0.23745%0.448CS..EExtended strand (participates in β ladder)trans-76117.8171.4-179.4-111.8000110K151 R211 Y213F149-K151 HydrophobicContact CD1-CG 4Å; F149-K151 HydrophobicContact CE1-CD 4.19Å; F149-K151 HydrophobicContact CE1-CG 3.47Å; F149-K151 VanDerWaalsContact CE1-CG 3.47Å; F149-K151 HydrophobicContact CZ-CG 4.28Å; F149-R211 HydrophobicContact CE2-CB 4.25Å; F149-R211 HydrophobicContact CZ-CB 3.9Å; F149-R211 HydrophobicContact CZ-CG 4.4Å; F149-Y213 HydrophobicContact CB-CD1 4.13Å; F149-Y213 HydrophobicContact CB-CE1 3.86Å; F149-Y213 AromaticContact CD2-CD1 3.98Å; F149-Y213 HydrophobicContact CD2-CD1 3.98Å; F149-Y213 HydrophobicContact CD2-CD2 4.14Å; F149-Y213 AromaticContact CD2-CE1 3.57Å; F149-Y213 HydrophobicContact CD2-CE1 3.57Å; F149-Y213 AromaticContact CD2-CE2 3.74Å; F149-Y213 HydrophobicContact CD2-CE2 3.74Å; F149-Y213 HydrophobicContact CD2-CG 4.24Å; F149-Y213 AromaticContact CD2-CZ 3.44Å; F149-Y213 VanDerWaalsContact CD2-CZ 3.44Å; F149-Y213 AromaticContact CE2-CE2 3.98Å; F149-Y213 HydrophobicContact CE2-CE2 3.98Å; F149-Y213 AromaticContact CE2-CZ 3.97Å; F149-Y213 HydrophobicContact CG-CE1 4.09Å
150R80.2Confident72.3Confident75 Ų7586.8 Ų86.828%0.28343%0.434SS..EExtended strand (participates in β ladder)trans-107.4113.7-173.7-68-57.1-64.1-152.7-12.9110.1E148 D152 R211 Y212 Q214E148-R150 PolarHBondContact O-N 3.16Å; E148-R150 WeakPolarHBondContact OE1-CD 3.41Å; E148-R150 IonicContact OE1-CZ 3.05Å; E148-R150 IonicContact OE1-NE 3.93Å; E148-R150 IonicContact OE1-NH1 2.67Å; E148-R150 PolarHBondContact OE1-NH1 3.03Å; R150-D152 VanDerWaalsContact CB-OD1 3.27Å; R150-D152 WeakPolarHBondContact CB-OD1 3.34Å; R150-D152 IonicContact CZ-OD1 3.71Å; R150-D152 IonicContact CZ-OD2 3.71Å; R150-D152 IonicContact NE-OD1 2.85Å; R150-D152 PolarHBondContact NE-OD1 3.25Å; R150-D152 IonicContact NE-OD2 3.61Å; R150-D152 IonicContact NH2-OD1 2.92Å; R150-D152 IonicContact NH2-OD2 3.55Å; R150-D152 PolarHBondContact NH2-OD2 3.22Å; R150-R211 CarbonylContact O-C 3.55Å; R150-R211 WeakPolarHBondContact O-CA 3.43Å; R150-R211 PolarHBondContact O-N 3.41Å; R150-R211 VanDerWaalsContact O-N 3.14Å; R150-Y212 HydrophobicContact CB-CD1 4.4Å; R150-Y212 HydrophobicContact CB-CD2 3.98Å; R150-Y212 HydrophobicContact CB-CE1 4.02Å; R150-Y212 HydrophobicContact CB-CE2 3.56Å; R150-Y212 HydrophobicContact CB-CG 4.38Å; R150-Y212 HydrophobicContact CG-CD2 4.47Å; R150-Y212 HydrophobicContact CG-CE2 3.84Å; R150-Y212 PolarHBondContact N-O 3.06Å; R150-Y212 PolarHBondContact O-N 2.92Å; R150-Q214 HydrophobicContact CG-CB 4.02Å
151K80.8Confident75.2Confident156 Ų15683.3 Ų83.368%0.67841%0.405SS*.  trans-87.3-15.6177.3-69.3-179-177.3172.90112.8F149F149-K151 HydrophobicContact CD1-CG 4Å; F149-K151 HydrophobicContact CE1-CD 4.19Å; F149-K151 HydrophobicContact CE1-CG 3.47Å; F149-K151 VanDerWaalsContact CE1-CG 3.47Å; F149-K151 HydrophobicContact CZ-CG 4.28Å
152D89.4Confident78.4Confident65 Ų6577.2 Ų77.235%0.34838%0.379SS..SBendtrans-63.9154.5178.749.2-41.6000112.3R150 S210R150-D152 VanDerWaalsContact CB-OD1 3.27Å; R150-D152 WeakPolarHBondContact CB-OD1 3.34Å; R150-D152 IonicContact CZ-OD1 3.71Å; R150-D152 IonicContact CZ-OD2 3.71Å; R150-D152 IonicContact NE-OD1 2.85Å; R150-D152 PolarHBondContact NE-OD1 3.25Å; R150-D152 IonicContact NE-OD2 3.61Å; R150-D152 IonicContact NH2-OD1 2.92Å; R150-D152 IonicContact NH2-OD2 3.55Å; R150-D152 PolarHBondContact NH2-OD2 3.22Å; D152-S210 WeakPolarHBondContact O-CA 3.22Å
153C91.6Very high81.3Confident85 Ų8577.4 Ų77.457%0.57438%0.377SS*.  trans-85127173.9-66.20000109.1P155 I208 I209C153-P155 WeakPolarHBondContact O-CD 3.27Å; C153-I208 HydrophobicContact CB-CG2 3.78Å; C153-I209 CarbonylContact C-O 3.46Å
154L94.7Very high84.5Confident28 Ų2871.9 Ų71.915%0.14736%0.356CS..EExtended strand (participates in β ladder)trans-115.599.7177.9-173.268.6000109.4V156 T183 F188 I209 Y212 L219L154-V156 HydrophobicContact CD2-CG1 3.87Å; L154-V156 HydrophobicContact CG-CG1 3.7Å; L154-T183 HydrophobicContact CD1-CG2 4.01Å; L154-F188 HydrophobicContact CD2-CE2 4.34Å; L154-I209 PolarHBondContact N-O 2.84Å; L154-I209 PolarHBondContact O-N 3.18Å; L154-Y212 HydrophobicContact CB-CE1 3.71Å; L154-Y212 HydrophobicContact CD2-CE1 4.3Å; L154-Y212 HydrophobicContact CD2-CE2 4.49Å; L154-L219 HydrophobicContact CD2-CD1 3.81Å
155P96.2Very high87.2Confident41 Ų4169.9 Ų69.927%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-69.3127.5169.8-15.531.1000109.9C153 I207 V236C153-P155 WeakPolarHBondContact O-CD 3.27Å; P155-I207 WeakPolarHBondContact CA-O 3.49Å; P155-V236 HydrophobicContact CB-CG2 3.97Å
156V97.5Very high89.3Confident0 Ų068.1 Ų68.10%033%0.332CS..EExtended strand (participates in β ladder)trans-141.2148.7-179.2-60.40000111.3L154 V181 A182 T183 I206 I207 I209L154-V156 HydrophobicContact CD2-CG1 3.87Å; L154-V156 HydrophobicContact CG-CG1 3.7Å; V156-V181 HydrophobicContact CB-CB 3.9Å; V156-V181 HydrophobicContact CB-CG2 4.11Å; V156-V181 HydrophobicContact CG1-CB 4.44Å; V156-V181 HydrophobicContact CG1-CG2 4.09Å; V156-V181 HydrophobicContact CG2-CB 3.74Å; V156-V181 HydrophobicContact CG2-CG1 4.05Å; V156-V181 HydrophobicContact CG2-CG2 4.02Å; V156-A182 CarbonylContact C-O 3.49Å; V156-A182 WeakPolarHBondContact CA-O 3.48Å; V156-T183 HydrophobicContact CG1-CG2 3.99Å; V156-I206 WeakPolarHBondContact O-CA 3.43Å; V156-I207 HydrophobicContact CG2-CD1 4.19Å; V156-I207 HydrophobicContact CG2-CG1 3.61Å; V156-I207 PolarHBondContact N-O 3.24Å; V156-I207 PolarHBondContact O-N 2.85Å; V156-I209 HydrophobicContact CG2-CD1 3.81Å; V156-I209 HydrophobicContact CG2-CG1 4.14Å
157M97.7Very high91.1Very high26 Ų2660.4 Ų60.413%0.12830%0.303CS..EExtended strand (participates in β ladder)trans-88.5131.5163.9-175.7170.27000109.8L159 V181 A182 V236 V238 M243M157-L159 HydrophobicContact CE-CD2 3.57Å; M157-L159 PolarHBondContact O-N 2.91Å; M157-V181 CarbonylContact O-C 3.57Å; M157-V181 VanDerWaalsContact O-CA 3.27Å; M157-V181 WeakPolarHBondContact O-CA 3.27Å; M157-A182 PolarHBondContact N-O 3.07Å; M157-A182 PolarHBondContact O-N 3.08Å; M157-V236 HydrophobicContact CB-CG1 4.46Å; M157-V238 HydrophobicContact CB-CG2 3.87Å; M157-V238 HydrophobicContact CE-CB 3.59Å; M157-V238 HydrophobicContact CE-CG1 4.35Å; M157-V238 HydrophobicContact CE-CG2 3.58Å; M157-V238 HydrophobicContact SD-CG2 4.5Å; M157-M243 HydrophobicContact CE-CE 4.21Å; M157-M243 HydrophobicContact CE-CG 4.41Å; M157-M243 HydrophobicContact CE-SD 3.98Å
158V98.4Very high92.2Very high0 Ų063.1 Ų63.10%032%0.316CS..EExtended strand (participates in β ladder)trans-76.5121173.7-1790000109.2V181 F201 I202 P203 K204 R205 I207V158-V181 HydrophobicContact CG2-CG1 4.33Å; V158-F201 HydrophobicContact CG1-CB 4.41Å; V158-F201 HydrophobicContact CG1-CD1 4.44Å; V158-F201 HydrophobicContact CG2-CD1 4.15Å; V158-I202 WeakPolarHBondContact CB-O 3.27Å; V158-P203 CarbonylContact O-C 3.53Å; V158-P203 WeakPolarHBondContact O-CA 3.32Å; V158-K204 PolarHBondContact O-N 3.46Å; V158-R205 PolarHBondContact N-O 3.13Å; V158-I207 HydrophobicContact CG2-CD1 3.64Å; V158-I207 HydrophobicContact CG2-CG1 3.92Å; V158-I207 HydrophobicContact CG2-CG2 4.42Å
159L98Very high92.2Very high37 Ų3760.5 Ų60.519%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-91-42176.9-57.5-172.9000111.7M157 T180 A182 M243 A246M157-L159 HydrophobicContact CE-CD2 3.57Å; M157-L159 PolarHBondContact O-N 2.91Å; L159-T180 WeakPolarHBondContact CA-O 3.26Å; L159-T180 HydrophobicContact CB-CG2 4.43Å; L159-T180 WeakPolarHBondContact CB-O 3.41Å; L159-T180 HydrophobicContact CD1-CG2 4.28Å; L159-T180 PolarHBondContact N-O 3.42Å; L159-A182 HydrophobicContact CD1-CB 3.76Å; L159-A182 HydrophobicContact CD2-CB 4.25Å; L159-A182 HydrophobicContact CG-CB 4.01Å; L159-M243 HydrophobicContact CD2-CE 4.38Å; L159-M243 HydrophobicContact CD2-CG 4.13Å; L159-A246 HydrophobicContact CD1-CB 3.53Å
160K97.3Very high91.9Very high109 Ų10964.7 Ų64.747%0.47433%0.326SS..EExtended strand (participates in β ladder)trans-154149.5-176.7-176.7178.8174.8-171.60110.7A179 T180K160-A179 CarbonylContact O-C 3.57Å; K160-A179 WeakPolarHBondContact O-CA 3.49Å; K160-A179 WeakPolarHBondContact O-CB 3.35Å; K160-T180 PolarHBondContact N-O 3.12Å; K160-T180 VanDerWaalsContact N-O 3.16Å; K160-T180 PolarHBondContact O-N 3.11Å
161A97.9Very high91.4Very high23 Ų2362.5 Ų62.519%0.1932%0.319CS..EExtended strand (participates in β ladder)trans-139.5141166.700000110.3F177 H178 A179 F201A161-F177 HydrophobicContact CB-CD2 4.44Å; A161-F177 HydrophobicContact CB-CE2 4.49Å; A161-H178 CarbonylContact C-O 3.6Å; A161-H178 WeakPolarHBondContact CA-O 3.3Å; A161-A179 HydrophobicContact CB-CB 4.38Å; A161-F201 HydrophobicContact CB-CB 4.01Å; A161-F201 VanDerWaalsContact CB-O 3.3Å; A161-F201 WeakPolarHBondContact CB-O 3.4Å
162T97.3Very high91.5Very high31 Ų3156.6 Ų56.619%0.1930%0.302CS..PPolyproline II helixtrans-82.7168.7172.967.40000110.7H178 K198T162-H178 HydrophobicContact CG2-CB 3.96Å; T162-H178 PolarHBondContact N-O 2.76Å; T162-H178 PolarHBondContact OG1-N 3.32Å; T162-H178 PolarHBondContact OG1-O 2.75Å; T162-K198 WeakPolarHBondContact O-CE 3.1Å
163K96.9Very high91.5Very high182 Ų18261 Ų6179%0.79132%0.318SS*.PPolyproline II helixtrans-66.5149.5163-64.4-175.7178.9-174.60109.1
164P97.8Very high91.6Very high56 Ų5659.1 Ų59.136%0.36430%0.301SS..PPolyproline II helixtrans-54.9145.4166.1-24.235.5000111.5M176 F177 T195 K198P164-M176 CarbonylContact C-O 3.58Å; P164-M176 VanDerWaalsContact CA-O 3.26Å; P164-M176 WeakPolarHBondContact CA-O 3.29Å; P164-F177 HydrophobicContact CG-CB 4.48Å; P164-T195 HydrophobicContact CB-CG2 3.99Å; P164-T195 HydrophobicContact CG-CG2 4.46Å; P164-K198 HydrophobicContact CG-CD 4.3Å; P164-K198 HydrophobicContact CG-CG 4.15Å
165F94.9Very high91.6Very high41 Ų4162.5 Ų62.518%0.1832%0.316CS..EExtended strand (participates in β ladder)trans-142.2152176.368.9-80000109.6F167 E175 M176 H178 I333F165-F167 HydrophobicContact CE2-CB 4.38Å; F165-F167 HydrophobicContact CE2-CD1 4.5Å; F165-E175 WeakPolarHBondContact O-CA 3.33Å; F165-M176 HydrophobicContact CD1-CG 4.4Å; F165-M176 VanDerWaalsContact CD1-O 3.27Å; F165-M176 WeakPolarHBondContact CD1-O 3.13Å; F165-M176 HydrophobicContact CE1-CG 3.63Å; F165-M176 HydrophobicContact CE1-SD 4.33Å; F165-M176 HydrophobicContact CE2-CG 4.12Å; F165-M176 HydrophobicContact CZ-CE 4.36Å; F165-M176 HydrophobicContact CZ-CG 3.48Å; F165-M176 VanDerWaalsContact CZ-CG 3.48Å; F165-M176 HydrophobicContact CZ-SD 3.77Å; F165-M176 PolarHBondContact N-O 3.45Å; F165-M176 PolarHBondContact O-N 3.18Å; F165-H178 AromaticContact CE1-CE1 3.62Å; F165-H178 AromaticContact CE1-ND1 3.93Å; F165-H178 AromaticContact CE1-NE2 3.89Å; F165-H178 AromaticContact CZ-CE1 3.5Å; F165-H178 VanDerWaalsContact CZ-CE1 3.5Å; F165-H178 WeakPolarHBondContact CZ-CE1 3.31Å; F165-H178 AromaticContact CZ-NE2 3.7Å; F165-I333 HydrophobicContact CD1-CD1 3.35Å; F165-I333 HydrophobicContact CD1-CG1 4.28Å; F165-I333 HydrophobicContact CD2-CD1 3.99Å; F165-I333 HydrophobicContact CD2-CG1 4.07Å; F165-I333 HydrophobicContact CE1-CD1 3.35Å; F165-I333 HydrophobicContact CE1-CG1 4.07Å; F165-I333 HydrophobicContact CE2-CD1 3.97Å; F165-I333 HydrophobicContact CE2-CG1 3.83Å; F165-I333 HydrophobicContact CG-CD1 3.69Å; F165-I333 HydrophobicContact CG-CG1 4.29Å; F165-I333 HydrophobicContact CZ-CD1 3.66Å; F165-I333 HydrophobicContact CZ-CG1 3.83Å
166T94.3Very high91.7Very high75 Ų7560.6 Ų60.646%0.4630%0.304SS..EExtended strand (participates in β ladder)trans-90.2143.6177.9-43.20000110.2K173 Q174 E175T166-K173 HydrophobicContact CG2-CB 3.78Å; T166-K173 HydrophobicContact CG2-CD 4.24Å; T166-K173 HydrophobicContact CG2-CG 4.1Å; T166-Q174 CarbonylContact C-O 3.48Å; T166-Q174 VanDerWaalsContact CA-O 3.23Å; T166-Q174 WeakPolarHBondContact CA-O 3.31Å; T166-Q174 VanDerWaalsContact CG2-O 3.29Å; T166-Q174 WeakPolarHBondContact CG2-O 3.14Å; T166-E175 HydrophobicContact CG2-CG 4.35Å
167F89.2Confident91.7Very high13 Ų1360.6 Ų60.66%0.05730%0.304CS..EExtended strand (participates in β ladder)trans-137156.917264.9-78.2000109.9F165 T169 K173 Q174 M176 F193 V330 H331F165-F167 HydrophobicContact CE2-CB 4.38Å; F165-F167 HydrophobicContact CE2-CD1 4.5Å; F167-T169 HydrophobicContact CD2-CG2 3.72Å; F167-T169 HydrophobicContact CE2-CG2 3.38Å; F167-T169 HydrophobicContact CZ-CG2 4.45Å; F167-K173 WeakPolarHBondContact O-CA 3.37Å; F167-Q174 HydrophobicContact CD1-CB 4.34Å; F167-Q174 WeakPolarHBondContact CD1-O 3.5Å; F167-Q174 HydrophobicContact CE1-CB 3.69Å; F167-Q174 HydrophobicContact CE2-CB 4.02Å; F167-Q174 HydrophobicContact CZ-CB 3.51Å; F167-Q174 HydrophobicContact CZ-CG 4.45Å; F167-Q174 PolarHBondContact N-O 3.46Å; F167-Q174 PolarHBondContact O-N 3.19Å; F167-M176 HydrophobicContact CD1-CB 4.47Å; F167-M176 HydrophobicContact CD1-CG 3.72Å; F167-M176 HydrophobicContact CD1-SD 4.19Å; F167-M176 HydrophobicContact CE1-CB 3.83Å; F167-M176 HydrophobicContact CE1-CG 3.49Å; F167-M176 VanDerWaalsContact CE1-CG 3.49Å; F167-M176 HydrophobicContact CE1-SD 3.89Å; F167-M176 HydrophobicContact CZ-CG 4.45Å; F167-M176 HydrophobicContact CZ-SD 4.36Å; F167-F193 HydrophobicContact CE1-CD1 4.39Å; F167-F193 HydrophobicContact CE1-CE1 4.36Å; F167-F193 AromaticContact CZ-CD1 3.96Å; F167-F193 HydrophobicContact CZ-CD1 3.96Å; F167-F193 AromaticContact CZ-CE1 3.75Å; F167-F193 HydrophobicContact CZ-CE1 3.75Å; F167-V330 WeakPolarHBondContact CB-O 3.48Å; F167-H331 AromaticContact CD2-CD2 3.65Å; F167-H331 AromaticContact CD2-NE2 3.78Å; F167-H331 AromaticContact CE2-CD2 3.51Å; F167-H331 AromaticContact CE2-NE2 3.21Å; F167-H331 WeakPolarHBondContact CE2-NE2 3.39Å; F167-H331 AromaticContact CZ-CD2 3.86Å; F167-H331 AromaticContact CZ-NE2 3.65Å
168E85.5Confident91.7Very high137 Ų13759.6 Ų59.664%0.6430%0.299SS*.EExtended strand (participates in β ladder)trans-101.1137.1-179.5-70.4-174.8175.500110.9K173E168-K173 HydrophobicContact CG-CG 3.97Å; E168-K173 WeakPolarHBondContact OE1-CE 3.24Å
169T79.8Confident91.8Very high36 Ų3659.7 Ų59.722%0.22130%0.299CS..EExtended strand (participates in β ladder)trans-126.5174.6175.558.30000108.7F167 E171 G172 Q174F167-T169 HydrophobicContact CD2-CG2 3.72Å; F167-T169 HydrophobicContact CE2-CG2 3.38Å; F167-T169 HydrophobicContact CZ-CG2 4.45Å; T169-E171 WeakPolarHBondContact CB-OE2 3.31Å; T169-E171 PolarHBondContact O-N 2.85Å; T169-E171 PolarHBondContact OG1-N 3.4Å; T169-E171 PolarHBondContact OG1-OE2 3Å; T169-E171 VanDerWaalsContact OG1-OE2 3.08Å; T169-G172 PolarHBondContact N-O 3.2Å; T169-G172 PolarHBondContact O-N 2.82Å; T169-G172 PolarHBondContact OG1-N 3.13Å; T169-G172 PolarHBondContact OG1-O 3.32Å; T169-Q174 HydrophobicContact CG2-CG 4.42Å; T169-Q174 PolarHBondContact OG1-NE2 3.33Å
170Q74.8Confident91.8Very high142 Ų14258.8 Ų58.866%0.66430%0.295SS*.THydrogen-bonded Turntrans-62.7-25173.4-61.1-170.68.200111.3T18 G172T18-Q170 VanDerWaalsContact CG2-NE2 3.3Å; Q170-G172 VanDerWaalsContact C-N 3.26Å; Q170-G172 PolarHBondContact O-N 3.33Å
171E70Confident91.8Very high30 Ų3053.6 Ų53.614%0.1427%0.273CS..THydrogen-bonded Turntrans-83.12.8174.8-5370.3-150.200112.8L76 T169L76-E171 HydrophobicContact CD1-CB 4.35Å; L76-E171 WeakPolarHBondContact CD1-O 3.13Å; T169-E171 WeakPolarHBondContact CB-OE2 3.31Å; T169-E171 PolarHBondContact O-N 2.85Å; T169-E171 PolarHBondContact OG1-N 3.4Å; T169-E171 PolarHBondContact OG1-OE2 3Å; T169-E171 VanDerWaalsContact OG1-OE2 3.08Å
172G81.8Confident91.8Very high31 Ų3152.5 Ų52.532%0.3226%0.264SS..EExtended strand (participates in β ladder)trans96.2-154.6-179.900000113.7T169 Q170T169-G172 PolarHBondContact N-O 3.2Å; T169-G172 PolarHBondContact O-N 2.82Å; T169-G172 PolarHBondContact OG1-N 3.13Å; T169-G172 PolarHBondContact OG1-O 3.32Å; Q170-G172 VanDerWaalsContact C-N 3.26Å; Q170-G172 PolarHBondContact O-N 3.33Å
173K90.6Very high91.8Very high157 Ų15752 Ų5268%0.68326%0.261SS*.EExtended strand (participates in β ladder)trans-79.2123-172.4-72.4-178.1-178.7-176.40111T166 F167 E168T166-K173 HydrophobicContact CG2-CB 3.78Å; T166-K173 HydrophobicContact CG2-CD 4.24Å; T166-K173 HydrophobicContact CG2-CG 4.1Å; F167-K173 WeakPolarHBondContact O-CA 3.37Å; E168-K173 HydrophobicContact CG-CG 3.97Å; E168-K173 WeakPolarHBondContact OE1-CE 3.24Å
174Q92.3Very high91.7Very high46 Ų4648.4 Ų48.422%0.21525%0.247CC..EExtended strand (participates in β ladder)trans-120.5162.5173.2-61.5-17131.300109.6T166 F167 T169T166-Q174 CarbonylContact C-O 3.48Å; T166-Q174 VanDerWaalsContact CA-O 3.23Å; T166-Q174 WeakPolarHBondContact CA-O 3.31Å; T166-Q174 VanDerWaalsContact CG2-O 3.29Å; T166-Q174 WeakPolarHBondContact CG2-O 3.14Å; F167-Q174 HydrophobicContact CD1-CB 4.34Å; F167-Q174 WeakPolarHBondContact CD1-O 3.5Å; F167-Q174 HydrophobicContact CE1-CB 3.69Å; F167-Q174 HydrophobicContact CE2-CB 4.02Å; F167-Q174 HydrophobicContact CZ-CB 3.51Å; F167-Q174 HydrophobicContact CZ-CG 4.45Å; F167-Q174 PolarHBondContact N-O 3.46Å; F167-Q174 PolarHBondContact O-N 3.19Å; T169-Q174 HydrophobicContact CG2-CG 4.42Å; T169-Q174 PolarHBondContact OG1-NE2 3.33Å
175E95.2Very high91.6Very high100 Ų10054.4 Ų54.447%0.46727%0.267SS..EExtended strand (participates in β ladder)trans-123.9146.3176.6-61.6-171166.200111.5F165 T166 T195F165-E175 WeakPolarHBondContact O-CA 3.33Å; T166-E175 HydrophobicContact CG2-CG 4.35Å; E175-T195 HydrophobicContact CB-CG2 3.68Å
176M97.8Very high91.7Very high0 Ų057.3 Ų57.30%028%0.281CS..EExtended strand (participates in β ladder)trans-152.1173.8174.466170.8-66.800110.4P164 F165 F167 H178 K191 V192 F193 H331P164-M176 CarbonylContact C-O 3.58Å; P164-M176 VanDerWaalsContact CA-O 3.26Å; P164-M176 WeakPolarHBondContact CA-O 3.29Å; F165-M176 HydrophobicContact CD1-CG 4.4Å; F165-M176 VanDerWaalsContact CD1-O 3.27Å; F165-M176 WeakPolarHBondContact CD1-O 3.13Å; F165-M176 HydrophobicContact CE1-CG 3.63Å; F165-M176 HydrophobicContact CE1-SD 4.33Å; F165-M176 HydrophobicContact CE2-CG 4.12Å; F165-M176 HydrophobicContact CZ-CE 4.36Å; F165-M176 HydrophobicContact CZ-CG 3.48Å; F165-M176 VanDerWaalsContact CZ-CG 3.48Å; F165-M176 HydrophobicContact CZ-SD 3.77Å; F165-M176 PolarHBondContact N-O 3.45Å; F165-M176 PolarHBondContact O-N 3.18Å; F167-M176 HydrophobicContact CD1-CB 4.47Å; F167-M176 HydrophobicContact CD1-CG 3.72Å; F167-M176 HydrophobicContact CD1-SD 4.19Å; F167-M176 HydrophobicContact CE1-CB 3.83Å; F167-M176 HydrophobicContact CE1-CG 3.49Å; F167-M176 VanDerWaalsContact CE1-CG 3.49Å; F167-M176 HydrophobicContact CE1-SD 3.89Å; F167-M176 HydrophobicContact CZ-CG 4.45Å; F167-M176 HydrophobicContact CZ-SD 4.36Å; M176-H178 WeakPolarHBondContact CE-CD2 3.43Å; M176-H178 WeakPolarHBondContact CE-NE2 3.49Å; M176-K191 HydrophobicContact CE-CB 3.53Å; M176-K191 HydrophobicContact CE-CD 4.25Å; M176-K191 HydrophobicContact CE-CG 3.78Å; M176-V192 CarbonylContact C-O 3.54Å; M176-V192 VanDerWaalsContact CA-O 3.25Å; M176-V192 WeakPolarHBondContact CA-O 3.25Å; M176-V192 VanDerWaalsContact CB-O 3.25Å; M176-V192 WeakPolarHBondContact CB-O 3.49Å; M176-F193 HydrophobicContact CB-CD1 4.02Å; M176-F193 HydrophobicContact CB-CE1 4.44Å; M176-F193 HydrophobicContact CE-CE1 4.38Å; M176-F193 HydrophobicContact CE-CZ 4.41Å; M176-F193 HydrophobicContact SD-CD1 4.28Å; M176-F193 HydrophobicContact SD-CE1 3.75Å; M176-F193 HydrophobicContact SD-CZ 4.23Å; M176-H331 HydrophobicContact CE-CB 4.34Å; M176-H331 HydrophobicContact SD-CB 3.75Å; M176-H331 PolarHBondContact SD-CD2 3.33Å; M176-H331 VanDerWaalsContact SD-CG 3.58Å
177F98.5Very high91.8Very high0 Ų055.9 Ų55.90%027%0.269CS..EExtended strand (participates in β ladder)trans-137.3159.9163.765.3-84.8000110.9A161 P164 A179 V192 K198 F201A161-F177 HydrophobicContact CB-CD2 4.44Å; A161-F177 HydrophobicContact CB-CE2 4.49Å; P164-F177 HydrophobicContact CG-CB 4.48Å; F177-A179 HydrophobicContact CE2-CB 4.45Å; F177-V192 HydrophobicContact CD1-CB 3.99Å; F177-V192 HydrophobicContact CD1-CG1 4.22Å; F177-V192 HydrophobicContact CD2-CB 4.18Å; F177-V192 HydrophobicContact CD2-CG2 4.28Å; F177-V192 HydrophobicContact CE1-CB 3.63Å; F177-V192 HydrophobicContact CE1-CG1 3.43Å; F177-V192 VanDerWaalsContact CE1-CG1 3.43Å; F177-V192 HydrophobicContact CE1-CG2 4.41Å; F177-V192 HydrophobicContact CE2-CB 3.82Å; F177-V192 HydrophobicContact CE2-CG1 4.21Å; F177-V192 HydrophobicContact CE2-CG2 3.73Å; F177-V192 HydrophobicContact CG-CB 4.26Å; F177-V192 HydrophobicContact CZ-CB 3.54Å; F177-V192 HydrophobicContact CZ-CG1 3.43Å; F177-V192 VanDerWaalsContact CZ-CG1 3.43Å; F177-V192 HydrophobicContact CZ-CG2 3.82Å; F177-V192 PolarHBondContact N-O 3.35Å; F177-V192 PolarHBondContact O-N 3.08Å; F177-K198 HydrophobicContact CD1-CB 4.37Å; F177-K198 HydrophobicContact CD1-CD 4.12Å; F177-K198 HydrophobicContact CD2-CD 3.94Å; F177-K198 HydrophobicContact CE1-CB 3.99Å; F177-K198 HydrophobicContact CE1-CD 4.23Å; F177-K198 HydrophobicContact CE2-CD 4.07Å; F177-K198 HydrophobicContact CG-CD 3.97Å; F177-K198 HydrophobicContact CZ-CB 4.32Å; F177-K198 HydrophobicContact CZ-CD 4.2Å; F177-F201 HydrophobicContact CE2-CB 3.67Å; F177-F201 HydrophobicContact CE2-CD1 4.27Å; F177-F201 AromaticContact CE2-CD2 3.84Å; F177-F201 HydrophobicContact CE2-CD2 3.84Å; F177-F201 AromaticContact CE2-CG 3.67Å; F177-F201 HydrophobicContact CE2-CG 3.67Å; F177-F201 HydrophobicContact CZ-CB 4.06Å; F177-F201 AromaticContact CZ-CD2 3.54Å; F177-F201 HydrophobicContact CZ-CD2 3.54Å; F177-F201 HydrophobicContact CZ-CE2 4.12Å; F177-F201 AromaticContact CZ-CG 3.89Å; F177-F201 HydrophobicContact CZ-CG 3.89Å
178H98.4Very high92.2Very high5 Ų556.3 Ų56.32%0.02327%0.271CS..EExtended strand (participates in β ladder)trans-96.5146.9173.1-60137.6000110.7A161 T162 F165 M176 V190 T313 F314 H331A161-H178 CarbonylContact C-O 3.6Å; A161-H178 WeakPolarHBondContact CA-O 3.3Å; T162-H178 HydrophobicContact CG2-CB 3.96Å; T162-H178 PolarHBondContact N-O 2.76Å; T162-H178 PolarHBondContact OG1-N 3.32Å; T162-H178 PolarHBondContact OG1-O 2.75Å; F165-H178 AromaticContact CE1-CE1 3.62Å; F165-H178 AromaticContact CE1-ND1 3.93Å; F165-H178 AromaticContact CE1-NE2 3.89Å; F165-H178 AromaticContact CZ-CE1 3.5Å; F165-H178 VanDerWaalsContact CZ-CE1 3.5Å; F165-H178 WeakPolarHBondContact CZ-CE1 3.31Å; F165-H178 AromaticContact CZ-NE2 3.7Å; M176-H178 WeakPolarHBondContact CE-CD2 3.43Å; M176-H178 WeakPolarHBondContact CE-NE2 3.49Å; H178-V190 WeakPolarHBondContact CA-O 3.42Å; H178-T313 HydrophobicContact CB-CG2 4.33Å; H178-T313 VanDerWaalsContact ND1-CG2 3.34Å; H178-T313 WeakPolarHBondContact ND1-CG2 3.17Å; H178-F314 HydrophobicContact CB-CD2 4.12Å; H178-F314 HydrophobicContact CB-CE2 4.08Å; H178-F314 AromaticContact CD2-CD2 3.27Å; H178-F314 WeakPolarHBondContact CD2-CD2 3.17Å; H178-F314 AromaticContact CD2-CE2 3.51Å; H178-F314 AromaticContact CE1-CD2 3.76Å; H178-F314 AromaticContact CG-CD2 3.46Å; H178-F314 VanDerWaalsContact CG-CD2 3.46Å; H178-F314 AromaticContact CG-CE2 3.8Å; H178-F314 AromaticContact ND1-CD2 3.75Å; H178-F314 AromaticContact NE2-CD2 3.49Å; H178-F314 WeakPolarHBondContact NE2-CD2 3.46Å; H178-F314 AromaticContact NE2-CG 3.88Å; H178-H331 PolarHBondContact CE1-O 3.08Å; H178-H331 PolarHBondContact NE2-O 2.94Å
179A98.4Very high92.7Very high2 Ų251.2 Ų51.22%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-134.1164.3168.400000111.6K160 A161 F177 V190 F201K160-A179 CarbonylContact O-C 3.57Å; K160-A179 WeakPolarHBondContact O-CA 3.49Å; K160-A179 WeakPolarHBondContact O-CB 3.35Å; A161-A179 HydrophobicContact CB-CB 4.38Å; F177-A179 HydrophobicContact CE2-CB 4.45Å; A179-V190 HydrophobicContact CB-CB 4.2Å; A179-V190 PolarHBondContact N-O 2.91Å; A179-V190 PolarHBondContact O-N 2.93Å; A179-F201 HydrophobicContact CB-CD1 3.57Å; A179-F201 HydrophobicContact CB-CE1 4.01Å; A179-F201 HydrophobicContact CB-CG 4.44Å
180T98.4Very high93.6Very high18 Ų1849.5 Ų49.511%0.1124%0.236CC..EExtended strand (participates in β ladder)trans-125.9124.2168-50.10000106.4L159 K160 F187 F188 F189 A246L159-T180 WeakPolarHBondContact CA-O 3.26Å; L159-T180 HydrophobicContact CB-CG2 4.43Å; L159-T180 WeakPolarHBondContact CB-O 3.41Å; L159-T180 HydrophobicContact CD1-CG2 4.28Å; L159-T180 PolarHBondContact N-O 3.42Å; K160-T180 PolarHBondContact N-O 3.12Å; K160-T180 VanDerWaalsContact N-O 3.16Å; K160-T180 PolarHBondContact O-N 3.11Å; T180-F187 HydrophobicContact CG2-CD2 4.24Å; T180-F188 WeakPolarHBondContact CA-O 3.45Å; T180-F189 HydrophobicContact CG2-CD1 4.1Å; T180-F189 HydrophobicContact CG2-CE1 4.21Å; T180-A246 HydrophobicContact CG2-CB 4.01Å
181V98Very high94.7Very high0 Ų044 Ų440%021%0.21CC..EExtended strand (participates in β ladder)trans-125.8158.4-178.8-56.30000109.3V156 M157 V158 F187 F188 V190 F201V156-V181 HydrophobicContact CB-CB 3.9Å; V156-V181 HydrophobicContact CB-CG2 4.11Å; V156-V181 HydrophobicContact CG1-CB 4.44Å; V156-V181 HydrophobicContact CG1-CG2 4.09Å; V156-V181 HydrophobicContact CG2-CB 3.74Å; V156-V181 HydrophobicContact CG2-CG1 4.05Å; V156-V181 HydrophobicContact CG2-CG2 4.02Å; M157-V181 CarbonylContact O-C 3.57Å; M157-V181 VanDerWaalsContact O-CA 3.27Å; M157-V181 WeakPolarHBondContact O-CA 3.27Å; V158-V181 HydrophobicContact CG2-CG1 4.33Å; V181-F187 CarbonylContact O-C 3.45Å; V181-F187 VanDerWaalsContact O-CA 3.29Å; V181-F187 WeakPolarHBondContact O-CA 3.39Å; V181-F187 WeakPolarHBondContact O-CB 3.49Å; V181-F188 HydrophobicContact CG2-CB 4.11Å; V181-F188 HydrophobicContact CG2-CD2 4.46Å; V181-F188 PolarHBondContact N-O 3.21Å; V181-F188 PolarHBondContact O-N 3.23Å; V181-V190 HydrophobicContact CB-CG2 4.37Å; V181-V190 HydrophobicContact CG1-CG2 3.99Å; V181-V190 HydrophobicContact CG2-CG2 3.59Å; V181-F201 HydrophobicContact CG1-CD1 4.4Å; V181-F201 HydrophobicContact CG1-CE1 4.13Å
182A98Very high96.1Very high0 Ų042.6 Ų42.60%020%0.203CC..EExtended strand (participates in β ladder)trans-141.7148.1179.700000112.7V156 M157 L159 E186 F187 V238 I242V156-A182 CarbonylContact C-O 3.49Å; V156-A182 WeakPolarHBondContact CA-O 3.48Å; M157-A182 PolarHBondContact N-O 3.07Å; M157-A182 PolarHBondContact O-N 3.08Å; L159-A182 HydrophobicContact CD1-CB 3.76Å; L159-A182 HydrophobicContact CD2-CB 4.25Å; L159-A182 HydrophobicContact CG-CB 4.01Å; A182-E186 WeakPolarHBondContact CA-O 3.45Å; A182-F187 HydrophobicContact CB-CB 3.97Å; A182-V238 HydrophobicContact CB-CG1 3.67Å; A182-V238 HydrophobicContact CB-CG2 4.01Å; A182-I242 HydrophobicContact CB-CG2 4.07Å
183T96.5Very high96.8Very high21 Ų2142.5 Ų42.513%0.12919%0.194CC..  trans-100.9-178.2164.366.90000108.5L154 V156 K185 E186 F188L154-T183 HydrophobicContact CD1-CG2 4.01Å; V156-T183 HydrophobicContact CG1-CG2 3.99Å; T183-K185 PolarHBondContact O-N 3.46Å; T183-K185 PolarHBondContact OG1-N 2.9Å; T183-E186 PolarHBondContact N-O 3.45Å; T183-E186 PolarHBondContact OG1-N 2.95Å; T183-E186 VanDerWaalsContact OG1-N 3.16Å; T183-E186 PolarHBondContact OG1-O 3.46Å; T183-F188 HydrophobicContact CG2-CE2 4.18Å
184E95.9Very high96.8Very high107 Ų10737.3 Ų37.350%0.517%0.174SC..SBendtrans-64-20.5172.4-47.3-172.7163.300112.7V236 D237 P239 I242E184-V236 HydrophobicContact CG-CG1 4.34Å; E184-D237 WeakPolarHBondContact CG-O 3.23Å; E184-D237 PolarHBondContact OE1-N 2.8Å; E184-P239 VanDerWaalsContact O-CD 3.23Å; E184-P239 WeakPolarHBondContact O-CD 3.34Å; E184-P239 WeakPolarHBondContact O-CG 3.46Å; E184-I242 VanDerWaalsContact O-CD1 3.28Å; E184-I242 WeakPolarHBondContact O-CD1 3.31Å
185K95.8Very high97Very high182 Ų18237 Ų3779%0.79118%0.176SC*.SBendtrans-103.9-36.1-171.9-63.3-177.1-179.4178.80113.7T183 I242T183-K185 PolarHBondContact O-N 3.46Å; T183-K185 PolarHBondContact OG1-N 2.9Å; K185-I242 VanDerWaalsContact O-CD1 3.3Å; K185-I242 WeakPolarHBondContact O-CD1 3.37Å
186E95.7Very high96.9Very high101 Ų10139.1 Ų39.147%0.47219%0.189SC..  trans-158.7172.6-173.466.8-173.5130.900112.2A182 T183 F188A182-E186 WeakPolarHBondContact CA-O 3.45Å; T183-E186 PolarHBondContact N-O 3.45Å; T183-E186 PolarHBondContact OG1-N 2.95Å; T183-E186 VanDerWaalsContact OG1-N 3.16Å; T183-E186 PolarHBondContact OG1-O 3.46Å; E186-F188 HydrophobicContact CG-CE1 4.13Å; E186-F188 HydrophobicContact CG-CE2 3.68Å; E186-F188 HydrophobicContact CG-CZ 3.45Å; E186-F188 VanDerWaalsContact CG-CZ 3.45Å; E186-F188 WeakPolarHBondContact OE1-CZ 3.48Å
187F97.1Very high96.9Very high45 Ų4540.3 Ų40.320%0.19720%0.195CC..EExtended strand (participates in β ladder)trans-119.1155.5173.773.1-90.3000111T180 V181 A182 F189 I242 K245 A246T180-F187 HydrophobicContact CG2-CD2 4.24Å; V181-F187 CarbonylContact O-C 3.45Å; V181-F187 VanDerWaalsContact O-CA 3.29Å; V181-F187 WeakPolarHBondContact O-CA 3.39Å; V181-F187 WeakPolarHBondContact O-CB 3.49Å; A182-F187 HydrophobicContact CB-CB 3.97Å; F187-F189 HydrophobicContact CD2-CE1 4.35Å; F187-F189 AromaticContact CE2-CE1 3.88Å; F187-F189 HydrophobicContact CE2-CE1 3.88Å; F187-F189 HydrophobicContact CE2-CE2 4.18Å; F187-F189 AromaticContact CE2-CZ 3.69Å; F187-F189 HydrophobicContact CE2-CZ 3.69Å; F187-I242 HydrophobicContact CB-CG2 4.01Å; F187-I242 HydrophobicContact CD1-CG2 4.26Å; F187-K245 HydrophobicContact CE1-CB 4.11Å; F187-K245 HydrophobicContact CE1-CD 4.01Å; F187-K245 HydrophobicContact CE1-CG 3.82Å; F187-K245 HydrophobicContact CZ-CG 4.43Å; F187-A246 HydrophobicContact CB-CB 3.89Å; F187-A246 HydrophobicContact CD1-CB 3.85Å; F187-A246 HydrophobicContact CD2-CB 3.72Å; F187-A246 HydrophobicContact CE1-CB 4.32Å; F187-A246 HydrophobicContact CE2-CB 4.21Å; F187-A246 HydrophobicContact CG-CB 3.52Å; F187-A246 HydrophobicContact CZ-CB 4.49Å
188F97Very high96.9Very high23 Ų2343.1 Ų43.110%0.10121%0.207CC..EExtended strand (participates in β ladder)trans-128.9140.4178.3-56.4-81.7000110.8L154 T180 V181 T183 E186 L219L154-F188 HydrophobicContact CD2-CE2 4.34Å; T180-F188 WeakPolarHBondContact CA-O 3.45Å; V181-F188 HydrophobicContact CG2-CB 4.11Å; V181-F188 HydrophobicContact CG2-CD2 4.46Å; V181-F188 PolarHBondContact N-O 3.21Å; V181-F188 PolarHBondContact O-N 3.23Å; T183-F188 HydrophobicContact CG2-CE2 4.18Å; E186-F188 HydrophobicContact CG-CE1 4.13Å; E186-F188 HydrophobicContact CG-CE2 3.68Å; E186-F188 HydrophobicContact CG-CZ 3.45Å; E186-F188 VanDerWaalsContact CG-CZ 3.45Å; E186-F188 WeakPolarHBondContact OE1-CZ 3.48Å; F188-L219 HydrophobicContact CB-CD1 3.85Å; F188-L219 HydrophobicContact CB-CG 3.86Å; F188-L219 HydrophobicContact CD1-CD1 4.35Å; F188-L219 HydrophobicContact CD1-CD2 4.25Å; F188-L219 HydrophobicContact CD1-CG 4.13Å; F188-L219 HydrophobicContact CD2-CD1 4.05Å; F188-L219 HydrophobicContact CG-CD1 3.83Å; F188-L219 HydrophobicContact CG-CG 3.98Å
189F97.8Very high96.8Very high29 Ų2947.1 Ų47.113%0.12723%0.229CC..EExtended strand (participates in β ladder)trans-79143.5159.7-57.8-49.4000109.2T180 F187 F218 L219 I263 N265 F314T180-F189 HydrophobicContact CG2-CD1 4.1Å; T180-F189 HydrophobicContact CG2-CE1 4.21Å; F187-F189 HydrophobicContact CD2-CE1 4.35Å; F187-F189 AromaticContact CE2-CE1 3.88Å; F187-F189 HydrophobicContact CE2-CE1 3.88Å; F187-F189 HydrophobicContact CE2-CE2 4.18Å; F187-F189 AromaticContact CE2-CZ 3.69Å; F187-F189 HydrophobicContact CE2-CZ 3.69Å; F189-F218 HydrophobicContact CB-CB 4.21Å; F189-F218 CarbonylContact O-C 3.58Å; F189-F218 WeakPolarHBondContact O-CA 3.02Å; F189-F218 VanDerWaalsContact O-CB 3.29Å; F189-F218 WeakPolarHBondContact O-CB 3.14Å; F189-L219 PolarHBondContact O-N 3.02Å; F189-I263 HydrophobicContact CD2-CB 4.2Å; F189-I263 HydrophobicContact CD2-CG2 3.81Å; F189-I263 HydrophobicContact CE2-CG2 4.35Å; F189-N265 WeakPolarHBondContact CD1-ND2 3.21Å; F189-N265 WeakPolarHBondContact CD2-ND2 3.43Å; F189-N265 HydrophobicContact CE1-CB 4.3Å; F189-N265 WeakPolarHBondContact CE1-ND2 3.39Å; F189-N265 VanDerWaalsContact CE2-ND2 3.31Å; F189-N265 WeakPolarHBondContact CE2-ND2 3.47Å; F189-N265 WeakPolarHBondContact CG-ND2 3.25Å; F189-N265 HydrophobicContact CZ-CB 4.07Å; F189-N265 WeakPolarHBondContact CZ-ND2 3.4Å; F189-F314 HydrophobicContact CB-CE1 4.29Å; F189-F314 HydrophobicContact CB-CE2 3.96Å; F189-F314 HydrophobicContact CB-CZ 3.57Å
190V98.2Very high96.7Very high0 Ų049.4 Ų49.40%024%0.239CC..EExtended strand (participates in β ladder)trans-131.1131.5-174.4-168.10000110.2H178 A179 V181 V192 L219 V221H178-V190 WeakPolarHBondContact CA-O 3.42Å; A179-V190 HydrophobicContact CB-CB 4.2Å; A179-V190 PolarHBondContact N-O 2.91Å; A179-V190 PolarHBondContact O-N 2.93Å; V181-V190 HydrophobicContact CB-CG2 4.37Å; V181-V190 HydrophobicContact CG1-CG2 3.99Å; V181-V190 HydrophobicContact CG2-CG2 3.59Å; V190-V192 HydrophobicContact CB-CG2 4.5Å; V190-V192 HydrophobicContact CG1-CG2 3.76Å; V190-L219 CarbonylContact C-O 3.49Å; V190-L219 VanDerWaalsContact CA-O 3.25Å; V190-L219 WeakPolarHBondContact CA-O 3.24Å; V190-L219 HydrophobicContact CG1-CB 4.26Å; V190-L219 HydrophobicContact CG2-CB 4.26Å; V190-V221 HydrophobicContact CG1-CG2 3.8Å
191K98.1Very high96.7Very high27 Ų2748.6 Ų48.612%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-96122.3164.2-64-173.8-173.4159.10108.3M176 F193 F218 L219 E220 V221 F314 H331M176-K191 HydrophobicContact CE-CB 3.53Å; M176-K191 HydrophobicContact CE-CD 4.25Å; M176-K191 HydrophobicContact CE-CG 3.78Å; K191-F193 HydrophobicContact CB-CD2 4.48Å; K191-F193 HydrophobicContact CB-CE2 3.79Å; K191-F193 HydrophobicContact CB-CZ 4.18Å; K191-F193 HydrophobicContact CD-CE2 4.48Å; K191-F193 HydrophobicContact CD-CZ 4.24Å; K191-F218 HydrophobicContact CD-CD2 3.97Å; K191-F218 HydrophobicContact CD-CE2 3.65Å; K191-F218 HydrophobicContact CD-CZ 4.32Å; K191-F218 HydrophobicContact CG-CD2 3.96Å; K191-F218 HydrophobicContact CG-CE2 4.13Å; K191-L219 PolarHBondContact N-O 3.47Å; K191-E220 WeakPolarHBondContact O-CA 3.33Å; K191-V221 PolarHBondContact O-N 3.1Å; K191-F314 HydrophobicContact CD-CD1 4.38Å; K191-F314 HydrophobicContact CD-CE1 4.13Å; K191-F314 HydrophobicContact CG-CD1 4.23Å; K191-F314 HydrophobicContact CG-CE1 3.7Å; K191-F314 HydrophobicContact CG-CE2 4.1Å; K191-F314 HydrophobicContact CG-CZ 3.6Å; K191-H331 HydrophobicContact CD-CB 4.17Å
192V98.3Very high96.7Very high0 Ų052.3 Ų52.30%025%0.253CS..EExtended strand (participates in β ladder)trans-116.1103.9179.7-170.80000109.4M176 F177 V190 N194 L197 F201 V221M176-V192 CarbonylContact C-O 3.54Å; M176-V192 VanDerWaalsContact CA-O 3.25Å; M176-V192 WeakPolarHBondContact CA-O 3.25Å; M176-V192 VanDerWaalsContact CB-O 3.25Å; M176-V192 WeakPolarHBondContact CB-O 3.49Å; F177-V192 HydrophobicContact CD1-CB 3.99Å; F177-V192 HydrophobicContact CD1-CG1 4.22Å; F177-V192 HydrophobicContact CD2-CB 4.18Å; F177-V192 HydrophobicContact CD2-CG2 4.28Å; F177-V192 HydrophobicContact CE1-CB 3.63Å; F177-V192 HydrophobicContact CE1-CG1 3.43Å; F177-V192 VanDerWaalsContact CE1-CG1 3.43Å; F177-V192 HydrophobicContact CE1-CG2 4.41Å; F177-V192 HydrophobicContact CE2-CB 3.82Å; F177-V192 HydrophobicContact CE2-CG1 4.21Å; F177-V192 HydrophobicContact CE2-CG2 3.73Å; F177-V192 HydrophobicContact CG-CB 4.26Å; F177-V192 HydrophobicContact CZ-CB 3.54Å; F177-V192 HydrophobicContact CZ-CG1 3.43Å; F177-V192 VanDerWaalsContact CZ-CG1 3.43Å; F177-V192 HydrophobicContact CZ-CG2 3.82Å; F177-V192 PolarHBondContact N-O 3.35Å; F177-V192 PolarHBondContact O-N 3.08Å; V190-V192 HydrophobicContact CB-CG2 4.5Å; V190-V192 HydrophobicContact CG1-CG2 3.76Å; V192-N194 VanDerWaalsContact C-N 3.34Å; V192-L197 HydrophobicContact CG1-CB 4.38Å; V192-L197 HydrophobicContact CG1-CD1 4.24Å; V192-F201 HydrophobicContact CG1-CE2 4.21Å; V192-F201 HydrophobicContact CG2-CE1 4.08Å; V192-F201 HydrophobicContact CG2-CE2 4.1Å; V192-F201 HydrophobicContact CG2-CZ 3.81Å; V192-V221 WeakPolarHBondContact CA-O 3.25Å; V192-V221 HydrophobicContact CG1-CB 4.21Å; V192-V221 HydrophobicContact CG1-CG1 4.08Å; V192-V221 HydrophobicContact CG2-CB 4.29Å
193F96Very high96.7Very high30 Ų3055.9 Ų55.913%0.13228%0.276CS..  trans-83.9-9-178.2-66.2-80.5000113.5F167 M176 K191 E220 V221 N222 H331F167-F193 HydrophobicContact CE1-CD1 4.39Å; F167-F193 HydrophobicContact CE1-CE1 4.36Å; F167-F193 AromaticContact CZ-CD1 3.96Å; F167-F193 HydrophobicContact CZ-CD1 3.96Å; F167-F193 AromaticContact CZ-CE1 3.75Å; F167-F193 HydrophobicContact CZ-CE1 3.75Å; M176-F193 HydrophobicContact CB-CD1 4.02Å; M176-F193 HydrophobicContact CB-CE1 4.44Å; M176-F193 HydrophobicContact CE-CE1 4.38Å; M176-F193 HydrophobicContact CE-CZ 4.41Å; M176-F193 HydrophobicContact SD-CD1 4.28Å; M176-F193 HydrophobicContact SD-CE1 3.75Å; M176-F193 HydrophobicContact SD-CZ 4.23Å; K191-F193 HydrophobicContact CB-CD2 4.48Å; K191-F193 HydrophobicContact CB-CE2 3.79Å; K191-F193 HydrophobicContact CB-CZ 4.18Å; K191-F193 HydrophobicContact CD-CE2 4.48Å; K191-F193 HydrophobicContact CD-CZ 4.24Å; F193-E220 HydrophobicContact CD2-CG 3.89Å; F193-E220 HydrophobicContact CE2-CG 3.67Å; F193-V221 PolarHBondContact N-O 3.35Å; F193-N222 HydrophobicContact CB-CB 4.28Å; F193-N222 HydrophobicContact CD2-CB 4.41Å; F193-H331 AromaticContact CE1-CE1 3.63Å; F193-H331 AromaticContact CE1-NE2 3.48Å; F193-H331 WeakPolarHBondContact CE1-NE2 3.42Å; F193-H331 AromaticContact CZ-CE1 3.43Å; F193-H331 VanDerWaalsContact CZ-CE1 3.43Å; F193-H331 WeakPolarHBondContact CZ-CE1 3.19Å; F193-H331 AromaticContact CZ-ND1 3.83Å; F193-H331 AromaticContact CZ-NE2 3.79Å
194N92.1Very high96.6Very high48 Ų4863.2 Ų63.226%0.25731%0.306SS..  trans-102.396.8172.2-174-8.2000110V192 L196 L197V192-N194 VanDerWaalsContact C-N 3.34Å; N194-L196 PolarHBondContact O-N 3.07Å; N194-L196 VanDerWaalsContact OD1-CB 3.27Å; N194-L196 WeakPolarHBondContact OD1-CB 3.26Å; N194-L196 PolarHBondContact OD1-N 3.09Å; N194-L197 HydrophobicContact CB-CD1 3.95Å; N194-L197 HydrophobicContact CB-CG 4.14Å; N194-L197 WeakPolarHBondContact O-CB 3.27Å; N194-L197 PolarHBondContact O-N 3.06Å; N194-L197 VanDerWaalsContact O-N 3.13Å
195T95.6Very high96.6Very high40 Ų4062.1 Ų62.125%0.24530%0.297CS..G310 helixtrans-65.9-19.6-177.954.30000113.6P164 E175 L197 K198P164-T195 HydrophobicContact CB-CG2 3.99Å; P164-T195 HydrophobicContact CG-CG2 4.46Å; E175-T195 HydrophobicContact CB-CG2 3.68Å; T195-L197 PolarHBondContact O-N 3.11Å; T195-K198 WeakPolarHBondContact O-CB 3.35Å; T195-K198 PolarHBondContact O-N 3.2Å; T195-K198 VanDerWaalsContact O-N 3.09Å
196L94.2Very high96.7Very high144 Ų14455.3 Ų55.375%0.75427%0.269SS*.G310 helixtrans-63.2-20.8173.8-56.2176.2000112.5N194 K198 D199N194-L196 PolarHBondContact O-N 3.07Å; N194-L196 VanDerWaalsContact OD1-CB 3.27Å; N194-L196 WeakPolarHBondContact OD1-CB 3.26Å; N194-L196 PolarHBondContact OD1-N 3.09Å; L196-K198 PolarHBondContact O-N 3.43Å; L196-D199 VanDerWaalsContact O-OD1 3.08Å
197L96.9Very high96.8Very high25 Ų2550.5 Ų50.513%0.13125%0.247CC..G310 helixtrans-80.1-1.2177.4-61.2176.5000113.2V192 N194 T195 D199 K200 F201 V221 V227V192-L197 HydrophobicContact CG1-CB 4.38Å; V192-L197 HydrophobicContact CG1-CD1 4.24Å; N194-L197 HydrophobicContact CB-CD1 3.95Å; N194-L197 HydrophobicContact CB-CG 4.14Å; N194-L197 WeakPolarHBondContact O-CB 3.27Å; N194-L197 PolarHBondContact O-N 3.06Å; N194-L197 VanDerWaalsContact O-N 3.13Å; T195-L197 PolarHBondContact O-N 3.11Å; L197-D199 PolarHBondContact O-N 3.09Å; L197-D199 VanDerWaalsContact O-N 3.1Å; L197-K200 WeakPolarHBondContact O-CB 3.39Å; L197-K200 PolarHBondContact O-N 3.21Å; L197-F201 HydrophobicContact CB-CD2 4.26Å; L197-F201 HydrophobicContact CB-CE2 4.1Å; L197-F201 WeakPolarHBondContact O-CD2 3.37Å; L197-F201 PolarHBondContact O-N 3.21Å; L197-V221 HydrophobicContact CD1-CG1 3.81Å; L197-V227 HydrophobicContact CD1-CB 4.17Å; L197-V227 HydrophobicContact CD1-CG2 3.81Å; L197-V227 HydrophobicContact CD2-CB 4.18Å
198K97.8Very high96.8Very high58 Ų5849.9 Ų49.925%0.25225%0.245SC..G310 helixtrans-59.9-26.8-172179.463.1-155740113.6T162 P164 F177 T195 L196 F201T162-K198 WeakPolarHBondContact O-CE 3.1Å; P164-K198 HydrophobicContact CG-CD 4.3Å; P164-K198 HydrophobicContact CG-CG 4.15Å; F177-K198 HydrophobicContact CD1-CB 4.37Å; F177-K198 HydrophobicContact CD1-CD 4.12Å; F177-K198 HydrophobicContact CD2-CD 3.94Å; F177-K198 HydrophobicContact CE1-CB 3.99Å; F177-K198 HydrophobicContact CE1-CD 4.23Å; F177-K198 HydrophobicContact CE2-CD 4.07Å; F177-K198 HydrophobicContact CG-CD 3.97Å; F177-K198 HydrophobicContact CZ-CB 4.32Å; F177-K198 HydrophobicContact CZ-CD 4.2Å; T195-K198 WeakPolarHBondContact O-CB 3.35Å; T195-K198 PolarHBondContact O-N 3.2Å; T195-K198 VanDerWaalsContact O-N 3.09Å; L196-K198 PolarHBondContact O-N 3.43Å; K198-F201 PolarHBondContact NZ-O 3.5Å
199D97Very high96.8Very high89 Ų8948.8 Ų48.848%0.47624%0.24SC..G310 helixtrans-74.1-22.8175.370-37.9000113.5L196 L197 I202 R205L196-D199 VanDerWaalsContact O-OD1 3.08Å; L197-D199 PolarHBondContact O-N 3.09Å; L197-D199 VanDerWaalsContact O-N 3.1Å; D199-I202 WeakPolarHBondContact O-CD1 3.41Å; D199-I202 VanDerWaalsContact O-CG1 3.29Å; D199-I202 WeakPolarHBondContact O-CG1 3.47Å; D199-R205 PolarHBondContact O-NH1 3.29Å
200K97.6Very high96.6Very high51 Ų5148.3 Ų48.322%0.22224%0.24CC..THydrogen-bonded Turntrans-78.9-34.2171.5-58.1-56.1-170.3-175.50111.9L197 I202 R205 I207 V227 D229L197-K200 WeakPolarHBondContact O-CB 3.39Å; L197-K200 PolarHBondContact O-N 3.21Å; K200-I202 VanDerWaalsContact C-N 3.3Å; K200-I202 PolarHBondContact O-N 3.43Å; K200-R205 WeakPolarHBondContact O-CD 3.32Å; K200-I207 HydrophobicContact CB-CG2 4.48Å; K200-V227 HydrophobicContact CB-CG1 4.09Å; K200-V227 HydrophobicContact CG-CG1 4.45Å; K200-D229 IonicContact NZ-OD2 2.61Å; K200-D229 PolarHBondContact NZ-OD2 2.76Å
201F98.3Very high96.3Very high0 Ų054.2 Ų54.20%026%0.263CS..  trans-85.470179.5-70.9-97.9000111.9V158 A161 F177 A179 V181 V192 L197 K198 I207 I209 V227V158-F201 HydrophobicContact CG1-CB 4.41Å; V158-F201 HydrophobicContact CG1-CD1 4.44Å; V158-F201 HydrophobicContact CG2-CD1 4.15Å; A161-F201 HydrophobicContact CB-CB 4.01Å; A161-F201 VanDerWaalsContact CB-O 3.3Å; A161-F201 WeakPolarHBondContact CB-O 3.4Å; F177-F201 HydrophobicContact CE2-CB 3.67Å; F177-F201 HydrophobicContact CE2-CD1 4.27Å; F177-F201 AromaticContact CE2-CD2 3.84Å; F177-F201 HydrophobicContact CE2-CD2 3.84Å; F177-F201 AromaticContact CE2-CG 3.67Å; F177-F201 HydrophobicContact CE2-CG 3.67Å; F177-F201 HydrophobicContact CZ-CB 4.06Å; F177-F201 AromaticContact CZ-CD2 3.54Å; F177-F201 HydrophobicContact CZ-CD2 3.54Å; F177-F201 HydrophobicContact CZ-CE2 4.12Å; F177-F201 AromaticContact CZ-CG 3.89Å; F177-F201 HydrophobicContact CZ-CG 3.89Å; A179-F201 HydrophobicContact CB-CD1 3.57Å; A179-F201 HydrophobicContact CB-CE1 4.01Å; A179-F201 HydrophobicContact CB-CG 4.44Å; V181-F201 HydrophobicContact CG1-CD1 4.4Å; V181-F201 HydrophobicContact CG1-CE1 4.13Å; V192-F201 HydrophobicContact CG1-CE2 4.21Å; V192-F201 HydrophobicContact CG2-CE1 4.08Å; V192-F201 HydrophobicContact CG2-CE2 4.1Å; V192-F201 HydrophobicContact CG2-CZ 3.81Å; L197-F201 HydrophobicContact CB-CD2 4.26Å; L197-F201 HydrophobicContact CB-CE2 4.1Å; L197-F201 WeakPolarHBondContact O-CD2 3.37Å; L197-F201 PolarHBondContact O-N 3.21Å; K198-F201 PolarHBondContact NZ-O 3.5Å; F201-I207 HydrophobicContact CD1-CD1 3.94Å; F201-I207 HydrophobicContact CE1-CD1 3.59Å; F201-I207 HydrophobicContact CE2-CD1 4.22Å; F201-I207 HydrophobicContact CG-CD1 4.4Å; F201-I207 HydrophobicContact CZ-CD1 3.75Å; F201-I209 HydrophobicContact CE1-CD1 4.44Å; F201-I209 HydrophobicContact CZ-CD1 4.36Å; F201-V227 HydrophobicContact CE2-CG1 4.11Å; F201-V227 HydrophobicContact CE2-CG2 4.31Å; F201-V227 HydrophobicContact CZ-CG1 4.47Å; F201-V227 HydrophobicContact CZ-CG2 4.41Å
202I97.6Very high96Very high79 Ų7953.1 Ų53.141%0.40526%0.258SS..  trans-106.8132.4174.3-61.1175.7000108.9V158 D199 K200 K204 R205V158-I202 WeakPolarHBondContact CB-O 3.27Å; D199-I202 WeakPolarHBondContact O-CD1 3.41Å; D199-I202 VanDerWaalsContact O-CG1 3.29Å; D199-I202 WeakPolarHBondContact O-CG1 3.47Å; K200-I202 VanDerWaalsContact C-N 3.3Å; K200-I202 PolarHBondContact O-N 3.43Å; I202-K204 PolarHBondContact O-N 3.23Å; I202-R205 HydrophobicContact CB-CB 4.33Å; I202-R205 WeakPolarHBondContact O-CB 3.44Å; I202-R205 PolarHBondContact O-N 3.24Å
203P97.6Very high95.6Very high75 Ų7554.1 Ų54.149%0.48726%0.262SS..THydrogen-bonded Turntrans-51141.1178.5-27.635.5000113.3V158 R205V158-P203 CarbonylContact O-C 3.53Å; V158-P203 WeakPolarHBondContact O-CA 3.32Å; P203-R205 PolarHBondContact O-N 3.44Å
204K95.1Very high95.4Very high175 Ų17555.8 Ų55.876%0.76127%0.27SS*.THydrogen-bonded Turntrans68.9-6.2-174.2-52.6179.8177.6-178.90115.9V158 I202V158-K204 PolarHBondContact O-N 3.46Å; I202-K204 PolarHBondContact O-N 3.23Å
205R95.9Very high95.3Very high83 Ų8354.1 Ų54.131%0.31326%0.261SS..  trans-73.2139.5174.9-162168.8-174.8163.67.3109.9V158 D199 K200 I202 P203 I207 D229V158-R205 PolarHBondContact N-O 3.13Å; D199-R205 PolarHBondContact O-NH1 3.29Å; K200-R205 WeakPolarHBondContact O-CD 3.32Å; I202-R205 HydrophobicContact CB-CB 4.33Å; I202-R205 WeakPolarHBondContact O-CB 3.44Å; I202-R205 PolarHBondContact O-N 3.24Å; P203-R205 PolarHBondContact O-N 3.44Å; R205-I207 HydrophobicContact CG-CG2 4.39Å; R205-D229 IonicContact CZ-OD1 2.95Å; R205-D229 IonicContact CZ-OD2 2.75Å; R205-D229 IonicContact NE-OD1 3.84Å; R205-D229 PolarHBondContact NE-OD1 3.34Å; R205-D229 IonicContact NH2-OD1 3.36Å; R205-D229 PolarHBondContact NH2-OD1 3.22Å; R205-D229 IonicContact NH2-OD2 3.16Å; R205-D229 PolarHBondContact NH2-OD2 3.17Å
206I97.4Very high94.4Very high39 Ų3954.8 Ų54.820%0.227%0.267CS..EExtended strand (participates in β ladder)trans-95.9126173.2-53.3176.1000107.9V156 A230 V236V156-I206 WeakPolarHBondContact O-CA 3.43Å; I206-A230 HydrophobicContact CB-CB 3.79Å; I206-A230 HydrophobicContact CG2-CB 3.45Å; I206-A230 VanDerWaalsContact CG2-CB 3.45Å; I206-A230 WeakPolarHBondContact O-CB 3.15Å; I206-A230 PolarHBondContact O-N 2.68Å; I206-V236 HydrophobicContact CD1-CB 4.33Å; I206-V236 HydrophobicContact CG2-CB 4.31Å; I206-V236 HydrophobicContact CG2-CG2 3.65Å
207I97.6Very high93.9Very high0 Ų050.1 Ų50.10%025%0.253CS..EExtended strand (participates in β ladder)trans-127156.817961.9174.9000109.8P155 V156 V158 K200 F201 R205 I209 V227 L228P155-I207 WeakPolarHBondContact CA-O 3.49Å; V156-I207 HydrophobicContact CG2-CD1 4.19Å; V156-I207 HydrophobicContact CG2-CG1 3.61Å; V156-I207 PolarHBondContact N-O 3.24Å; V156-I207 PolarHBondContact O-N 2.85Å; V158-I207 HydrophobicContact CG2-CD1 3.64Å; V158-I207 HydrophobicContact CG2-CG1 3.92Å; V158-I207 HydrophobicContact CG2-CG2 4.42Å; K200-I207 HydrophobicContact CB-CG2 4.48Å; F201-I207 HydrophobicContact CD1-CD1 3.94Å; F201-I207 HydrophobicContact CE1-CD1 3.59Å; F201-I207 HydrophobicContact CE2-CD1 4.22Å; F201-I207 HydrophobicContact CG-CD1 4.4Å; F201-I207 HydrophobicContact CZ-CD1 3.75Å; R205-I207 HydrophobicContact CG-CG2 4.39Å; I207-I209 HydrophobicContact CD1-CD1 4.09Å; I207-I209 HydrophobicContact CD1-CG1 4.03Å; I207-I209 HydrophobicContact CG1-CG1 4.24Å; I207-V227 HydrophobicContact CB-CG1 4.21Å; I207-V227 HydrophobicContact CD1-CG1 3.91Å; I207-L228 CarbonylContact C-O 3.55Å; I207-L228 WeakPolarHBondContact CA-O 3.48Å; I207-L228 WeakPolarHBondContact CB-O 3.21Å
208I96.9Very high93.7Very high33 Ų3350 Ų5017%0.16925%0.252CS..EExtended strand (participates in β ladder)trans-110.5118.2173-51.3173.8000107.4C153 V227 L228 A230 Q234C153-I208 HydrophobicContact CB-CG2 3.78Å; I208-V227 WeakPolarHBondContact O-CA 3.39Å; I208-L228 PolarHBondContact N-O 3.23Å; I208-L228 PolarHBondContact O-N 2.89Å; I208-A230 HydrophobicContact CG1-CB 4.34Å; I208-Q234 VanDerWaalsContact CD1-OE1 3.29Å
209I96.9Very high93.7Very high0 Ų047.2 Ų47.20%024%0.24CC..EExtended strand (participates in β ladder)trans-101.9133.2176.4-52178.5000108.1C153 L154 V156 F201 I207 Y212 V221 C226 V227C153-I209 CarbonylContact C-O 3.46Å; L154-I209 PolarHBondContact N-O 2.84Å; L154-I209 PolarHBondContact O-N 3.18Å; V156-I209 HydrophobicContact CG2-CD1 3.81Å; V156-I209 HydrophobicContact CG2-CG1 4.14Å; F201-I209 HydrophobicContact CE1-CD1 4.44Å; F201-I209 HydrophobicContact CZ-CD1 4.36Å; I207-I209 HydrophobicContact CD1-CD1 4.09Å; I207-I209 HydrophobicContact CD1-CG1 4.03Å; I207-I209 HydrophobicContact CG1-CG1 4.24Å; I209-Y212 HydrophobicContact CB-CD1 4.42Å; I209-Y212 HydrophobicContact CG2-CD1 3.79Å; I209-Y212 HydrophobicContact CG2-CG 4.13Å; I209-V221 HydrophobicContact CG2-CG2 3.93Å; I209-C226 WeakPolarHBondContact CA-O 3.27Å; I209-V227 HydrophobicContact CG1-CG2 4.38Å; I209-V227 HydrophobicContact CG2-CG2 4.39Å
210S94.1Very high93.7Very high18 Ų1844.3 Ų44.313%0.12622%0.223CC..EExtended strand (participates in β ladder)trans-140.1161.9172.2580000110.7D152 Y212 S225 C226D152-S210 WeakPolarHBondContact O-CA 3.22Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 2.9Å; S210-S225 WeakPolarHBondContact O-CA 3.45Å; S210-C226 PolarHBondContact N-O 2.82Å; S210-C226 PolarHBondContact O-N 3.47Å; S210-C226 WeakPolarHBondContact OG-CB 3.39Å
211R91.5Very high93.6Very high124 Ų12441.9 Ų41.947%0.46821%0.213SC..SBendtrans56.844.5-178.5-57.617563.9169.91.4111.7F149 R150 A224 S225F149-R211 HydrophobicContact CE2-CB 4.25Å; F149-R211 HydrophobicContact CZ-CB 3.9Å; F149-R211 HydrophobicContact CZ-CG 4.4Å; R150-R211 CarbonylContact O-C 3.55Å; R150-R211 WeakPolarHBondContact O-CA 3.43Å; R150-R211 PolarHBondContact O-N 3.41Å; R150-R211 VanDerWaalsContact O-N 3.14Å; R211-A224 VanDerWaalsContact CB-O 3.32Å; R211-A224 WeakPolarHBondContact CB-O 3.29Å; R211-A224 PolarHBondContact NE-O 3.39Å; R211-S225 VanDerWaalsContact O-CA 3.27Å; R211-S225 WeakPolarHBondContact O-CA 3.38Å; R211-S225 WeakPolarHBondContact O-CB 3.37Å; R211-S225 PolarHBondContact O-OG 3.34Å
212Y92.1Very high93.3Very high4 Ų442.2 Ų42.22%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-102.5163.418061.3-90.7000110.8R150 L154 I209 S210 Q214 L219 E220R150-Y212 HydrophobicContact CB-CD1 4.4Å; R150-Y212 HydrophobicContact CB-CD2 3.98Å; R150-Y212 HydrophobicContact CB-CE1 4.02Å; R150-Y212 HydrophobicContact CB-CE2 3.56Å; R150-Y212 HydrophobicContact CB-CG 4.38Å; R150-Y212 HydrophobicContact CG-CD2 4.47Å; R150-Y212 HydrophobicContact CG-CE2 3.84Å; R150-Y212 PolarHBondContact N-O 3.06Å; R150-Y212 PolarHBondContact O-N 2.92Å; L154-Y212 HydrophobicContact CB-CE1 3.71Å; L154-Y212 HydrophobicContact CD2-CE1 4.3Å; L154-Y212 HydrophobicContact CD2-CE2 4.49Å; I209-Y212 HydrophobicContact CB-CD1 4.42Å; I209-Y212 HydrophobicContact CG2-CD1 3.79Å; I209-Y212 HydrophobicContact CG2-CG 4.13Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 2.9Å; Y212-Q214 HydrophobicContact CE2-CB 4.31Å; Y212-L219 HydrophobicContact CD2-CD1 4.49Å; Y212-L219 HydrophobicContact CD2-CD2 3.87Å; Y212-L219 HydrophobicContact CE2-CD1 4.43Å; Y212-L219 HydrophobicContact CE2-CD2 3.75Å; Y212-E220 WeakPolarHBondContact CB-O 3.23Å
213Y89.9Confident92.8Very high22 Ų2241.7 Ų41.79%0.08622%0.218CC..EExtended strand (participates in β ladder)trans-98.9131.8171.2-68.7-92.2000109.5F28 F149 L219 E220 N222F28-Y213 WeakPolarHBondContact CE1-OH 3.47Å; F28-Y213 AromaticContact CZ-CE1 3.89Å; F28-Y213 HydrophobicContact CZ-CE1 3.89Å; F28-Y213 AromaticContact CZ-CZ 3.85Å; F28-Y213 WeakPolarHBondContact CZ-OH 3.18Å; F149-Y213 HydrophobicContact CB-CD1 4.13Å; F149-Y213 HydrophobicContact CB-CE1 3.86Å; F149-Y213 AromaticContact CD2-CD1 3.98Å; F149-Y213 HydrophobicContact CD2-CD1 3.98Å; F149-Y213 HydrophobicContact CD2-CD2 4.14Å; F149-Y213 AromaticContact CD2-CE1 3.57Å; F149-Y213 HydrophobicContact CD2-CE1 3.57Å; F149-Y213 AromaticContact CD2-CE2 3.74Å; F149-Y213 HydrophobicContact CD2-CE2 3.74Å; F149-Y213 HydrophobicContact CD2-CG 4.24Å; F149-Y213 AromaticContact CD2-CZ 3.44Å; F149-Y213 VanDerWaalsContact CD2-CZ 3.44Å; F149-Y213 AromaticContact CE2-CE2 3.98Å; F149-Y213 HydrophobicContact CE2-CE2 3.98Å; F149-Y213 AromaticContact CE2-CZ 3.97Å; F149-Y213 HydrophobicContact CG-CE1 4.09Å; Y213-L219 CarbonylContact O-C 3.51Å; Y213-L219 WeakPolarHBondContact O-CA 3.48Å; Y213-E220 HydrophobicContact CD2-CG 4.48Å; Y213-E220 PolarHBondContact N-O 3.47Å; Y213-E220 PolarHBondContact O-N 3.01Å; Y213-N222 VanDerWaalsContact CE2-ND2 3.32Å; Y213-N222 WeakPolarHBondContact CE2-ND2 3.48Å
214Q91.6Very high92.1Very high65 Ų6539 Ų3930%0.30420%0.202SC..EExtended strand (participates in β ladder)trans-103.3118.5172.7-176.5164.2-11.500109E148 R150 Y212 L219E148-Q214 PolarHBondContact N-O 2.78Å; E148-Q214 PolarHBondContact O-N 2.61Å; R150-Q214 HydrophobicContact CG-CB 4.02Å; Y212-Q214 HydrophobicContact CE2-CB 4.31Å; Q214-L219 HydrophobicContact CB-CD2 4.03Å; Q214-L219 HydrophobicContact CG-CD2 3.92Å
215H88.8Confident92Very high13 Ų1331.3 Ų31.36%0.0617%0.17CC..EExtended strand (participates in β ladder)trans-106.9166.7176.8-63.9-81.8000109.9E147 G217 F218 E220E147-H215 VanDerWaalsContact CD-CE1 3.45Å; E147-H215 WeakPolarHBondContact CG-ND1 3.38Å; E147-H215 IonicContact OE1-CE1 2.76Å; E147-H215 PolarHBondContact OE1-CE1 2.84Å; E147-H215 VanDerWaalsContact OE1-CE1 3.3Å; E147-H215 IonicContact OE1-ND1 3.59Å; E147-H215 PolarHBondContact OE1-ND1 3.2Å; H215-G217 VanDerWaalsContact C-N 3.28Å; H215-G217 PolarHBondContact O-N 2.75Å; H215-F218 HydrophobicContact CB-CD1 3.82Å; H215-F218 HydrophobicContact CB-CD2 4.27Å; H215-F218 HydrophobicContact CB-CE1 3.51Å; H215-F218 HydrophobicContact CB-CE2 3.98Å; H215-F218 HydrophobicContact CB-CG 4.19Å; H215-F218 HydrophobicContact CB-CZ 3.57Å; H215-F218 WeakPolarHBondContact CB-O 3.46Å; H215-F218 AromaticContact CD2-CD2 3.89Å; H215-F218 AromaticContact CD2-CE2 3.21Å; H215-F218 WeakPolarHBondContact CD2-CE2 3.4Å; H215-F218 AromaticContact CD2-CZ 3.43Å; H215-F218 VanDerWaalsContact CD2-CZ 3.43Å; H215-F218 WeakPolarHBondContact CD2-CZ 3.32Å; H215-F218 AromaticContact CG-CE1 3.94Å; H215-F218 AromaticContact CG-CE2 3.72Å; H215-F218 AromaticContact CG-CZ 3.45Å; H215-F218 VanDerWaalsContact CG-CZ 3.45Å; H215-F218 PolarHBondContact N-O 2.68Å; H215-F218 AromaticContact NE2-CE2 3.89Å; H215-F218 PolarHBondContact O-N 2.81Å; H215-E220 IonicContact CD2-OE2 3.51Å; H215-E220 IonicContact CE1-OE2 3.74Å; H215-E220 IonicContact NE2-OE2 2.8Å; H215-E220 PolarHBondContact NE2-OE2 3.33Å
216S77.7Confident91.8Very high54 Ų5429.9 Ų29.938%0.37817%0.172SC..THydrogen-bonded Turntrans-65.886.1173.462.60000110.9I145I145-S216 VanDerWaalsContact CG2-OG 3.23Å; I145-S216 WeakPolarHBondContact CG2-OG 3.33Å
217G82.8Confident91.8Very high45 Ų4528.6 Ų28.646%0.46417%0.166SC..THydrogen-bonded Turntrans110-0.2174.300000116.3H215H215-G217 VanDerWaalsContact C-N 3.28Å; H215-G217 PolarHBondContact O-N 2.75Å
218F94.5Very high91.7Very high22 Ų2233.8 Ų33.810%0.09619%0.194CC..EExtended strand (participates in β ladder)trans-156.1161.9173.668.9-83.2000113F189 K191 H215 E220 I263 F314F189-F218 HydrophobicContact CB-CB 4.21Å; F189-F218 CarbonylContact O-C 3.58Å; F189-F218 WeakPolarHBondContact O-CA 3.02Å; F189-F218 VanDerWaalsContact O-CB 3.29Å; F189-F218 WeakPolarHBondContact O-CB 3.14Å; K191-F218 HydrophobicContact CD-CD2 3.97Å; K191-F218 HydrophobicContact CD-CE2 3.65Å; K191-F218 HydrophobicContact CD-CZ 4.32Å; K191-F218 HydrophobicContact CG-CD2 3.96Å; K191-F218 HydrophobicContact CG-CE2 4.13Å; H215-F218 HydrophobicContact CB-CD1 3.82Å; H215-F218 HydrophobicContact CB-CD2 4.27Å; H215-F218 HydrophobicContact CB-CE1 3.51Å; H215-F218 HydrophobicContact CB-CE2 3.98Å; H215-F218 HydrophobicContact CB-CG 4.19Å; H215-F218 HydrophobicContact CB-CZ 3.57Å; H215-F218 WeakPolarHBondContact CB-O 3.46Å; H215-F218 AromaticContact CD2-CD2 3.89Å; H215-F218 AromaticContact CD2-CE2 3.21Å; H215-F218 WeakPolarHBondContact CD2-CE2 3.4Å; H215-F218 AromaticContact CD2-CZ 3.43Å; H215-F218 VanDerWaalsContact CD2-CZ 3.43Å; H215-F218 WeakPolarHBondContact CD2-CZ 3.32Å; H215-F218 AromaticContact CG-CE1 3.94Å; H215-F218 AromaticContact CG-CE2 3.72Å; H215-F218 AromaticContact CG-CZ 3.45Å; H215-F218 VanDerWaalsContact CG-CZ 3.45Å; H215-F218 PolarHBondContact N-O 2.68Å; H215-F218 AromaticContact NE2-CE2 3.89Å; H215-F218 PolarHBondContact O-N 2.81Å; F218-E220 HydrophobicContact CE2-CB 4.33Å; F218-I263 HydrophobicContact CD1-CD1 4.03Å; F218-I263 HydrophobicContact CD1-CG1 3.78Å; F218-I263 HydrophobicContact CE1-CD1 4.37Å; F218-F314 HydrophobicContact CB-CE1 3.61Å; F218-F314 HydrophobicContact CB-CZ 3.83Å; F218-F314 HydrophobicContact CD1-CE1 4.15Å; F218-F314 HydrophobicContact CD2-CE1 4.02Å; F218-F314 HydrophobicContact CD2-CZ 4.44Å; F218-F314 AromaticContact CG-CE1 3.67Å; F218-F314 HydrophobicContact CG-CE1 3.67Å; F218-F314 HydrophobicContact CG-CZ 4.25Å
219L96.4Very high91.5Very high0 Ų034.8 Ų34.80%020%0.199CC..EExtended strand (participates in β ladder)trans-101.5147.9169.9-56.4-178.9000110.5L154 F188 F189 V190 K191 Y212 Y213 Q214L154-L219 HydrophobicContact CD2-CD1 3.81Å; F188-L219 HydrophobicContact CB-CD1 3.85Å; F188-L219 HydrophobicContact CB-CG 3.86Å; F188-L219 HydrophobicContact CD1-CD1 4.35Å; F188-L219 HydrophobicContact CD1-CD2 4.25Å; F188-L219 HydrophobicContact CD1-CG 4.13Å; F188-L219 HydrophobicContact CD2-CD1 4.05Å; F188-L219 HydrophobicContact CG-CD1 3.83Å; F188-L219 HydrophobicContact CG-CG 3.98Å; F189-L219 PolarHBondContact O-N 3.02Å; V190-L219 CarbonylContact C-O 3.49Å; V190-L219 VanDerWaalsContact CA-O 3.25Å; V190-L219 WeakPolarHBondContact CA-O 3.24Å; V190-L219 HydrophobicContact CG1-CB 4.26Å; V190-L219 HydrophobicContact CG2-CB 4.26Å; K191-L219 PolarHBondContact N-O 3.47Å; Y212-L219 HydrophobicContact CD2-CD1 4.49Å; Y212-L219 HydrophobicContact CD2-CD2 3.87Å; Y212-L219 HydrophobicContact CE2-CD1 4.43Å; Y212-L219 HydrophobicContact CE2-CD2 3.75Å; Y213-L219 CarbonylContact O-C 3.51Å; Y213-L219 WeakPolarHBondContact O-CA 3.48Å; Q214-L219 HydrophobicContact CB-CD2 4.03Å; Q214-L219 HydrophobicContact CG-CD2 3.92Å
220E96.6Very high91.2Very high29 Ų2935.9 Ų35.914%0.13621%0.208CC..EExtended strand (participates in β ladder)trans-120.9127.3174.5161.5175.8160.400110.6K191 F193 Y212 Y213 H215 F218 N222K191-E220 WeakPolarHBondContact O-CA 3.33Å; F193-E220 HydrophobicContact CD2-CG 3.89Å; F193-E220 HydrophobicContact CE2-CG 3.67Å; Y212-E220 WeakPolarHBondContact CB-O 3.23Å; Y213-E220 HydrophobicContact CD2-CG 4.48Å; Y213-E220 PolarHBondContact N-O 3.47Å; Y213-E220 PolarHBondContact O-N 3.01Å; H215-E220 IonicContact CD2-OE2 3.51Å; H215-E220 IonicContact CE1-OE2 3.74Å; H215-E220 IonicContact NE2-OE2 2.8Å; H215-E220 PolarHBondContact NE2-OE2 3.33Å; F218-E220 HydrophobicContact CE2-CB 4.33Å; E220-N222 PolarHBondContact OE1-ND2 3.29Å
221V96.8Very high90.8Very high0 Ų042.5 Ų42.50%024%0.235CC..EExtended strand (participates in β ladder)trans-115.8116.7177.7177.10000107.7V190 K191 V192 F193 L197 I209 V227V190-V221 HydrophobicContact CG1-CG2 3.8Å; K191-V221 PolarHBondContact O-N 3.1Å; V192-V221 WeakPolarHBondContact CA-O 3.25Å; V192-V221 HydrophobicContact CG1-CB 4.21Å; V192-V221 HydrophobicContact CG1-CG1 4.08Å; V192-V221 HydrophobicContact CG2-CB 4.29Å; F193-V221 PolarHBondContact N-O 3.35Å; L197-V221 HydrophobicContact CD1-CG1 3.81Å; I209-V221 HydrophobicContact CG2-CG2 3.93Å; V221-V227 HydrophobicContact CG1-CG2 3.87Å
222N92.4Very high90.1Very high7 Ų743 Ų434%0.03726%0.257CS..  trans-129.3-166.1-179.463.932.7000111.1F193 Y213 E220 A224 S225F193-N222 HydrophobicContact CB-CB 4.28Å; F193-N222 HydrophobicContact CD2-CB 4.41Å; Y213-N222 VanDerWaalsContact CE2-ND2 3.32Å; Y213-N222 WeakPolarHBondContact CE2-ND2 3.48Å; E220-N222 PolarHBondContact OE1-ND2 3.29Å; N222-A224 PolarHBondContact O-N 2.9Å; N222-A224 WeakPolarHBondContact OD1-CB 3.41Å; N222-A224 PolarHBondContact OD1-N 3.47Å; N222-S225 PolarHBondContact N-OG 2.85Å; N222-S225 VanDerWaalsContact N-OG 3.16Å; N222-S225 WeakPolarHBondContact O-CB 3.17Å; N222-S225 PolarHBondContact O-N 2.91Å
223S85.7Confident89.5Confident67 Ų6748.6 Ų48.647%0.46929%0.287SS..THydrogen-bonded Turntrans-62.8-21.9-177.254.50000114
224A84.1Confident89Confident20 Ų2050.3 Ų50.317%0.16530%0.296CS..THydrogen-bonded Turntrans-83.6-13.7175.700000113.5R211 N222R211-A224 VanDerWaalsContact CB-O 3.32Å; R211-A224 WeakPolarHBondContact CB-O 3.29Å; R211-A224 PolarHBondContact NE-O 3.39Å; N222-A224 PolarHBondContact O-N 2.9Å; N222-A224 WeakPolarHBondContact OD1-CB 3.41Å; N222-A224 PolarHBondContact OD1-N 3.47Å
225S92.2Very high88.7Confident13 Ų1355.6 Ų55.69%0.09132%0.318CS..  trans-82.7151.3-178.8-52.60000112S210 R211 N222S210-S225 WeakPolarHBondContact O-CA 3.45Å; R211-S225 VanDerWaalsContact O-CA 3.27Å; R211-S225 WeakPolarHBondContact O-CA 3.38Å; R211-S225 WeakPolarHBondContact O-CB 3.37Å; R211-S225 PolarHBondContact O-OG 3.34Å; N222-S225 PolarHBondContact N-OG 2.85Å; N222-S225 VanDerWaalsContact N-OG 3.16Å; N222-S225 WeakPolarHBondContact O-CB 3.17Å; N222-S225 PolarHBondContact O-N 2.91Å
226C91.9Very high88.8Confident52 Ų5255.7 Ų55.735%0.35132%0.319SS..EExtended strand (participates in β ladder)trans-116.7128.8174-57.70000109.7I209 S210I209-C226 WeakPolarHBondContact CA-O 3.27Å; S210-C226 PolarHBondContact N-O 2.82Å; S210-C226 PolarHBondContact O-N 3.47Å; S210-C226 WeakPolarHBondContact OG-CB 3.39Å
227V97.3Very high89.5Confident12 Ų1259.1 Ų59.17%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-123.9118.8177.1-179.60000108.9L197 K200 F201 I207 I208 I209 V221L197-V227 HydrophobicContact CD1-CB 4.17Å; L197-V227 HydrophobicContact CD1-CG2 3.81Å; L197-V227 HydrophobicContact CD2-CB 4.18Å; K200-V227 HydrophobicContact CB-CG1 4.09Å; K200-V227 HydrophobicContact CG-CG1 4.45Å; F201-V227 HydrophobicContact CE2-CG1 4.11Å; F201-V227 HydrophobicContact CE2-CG2 4.31Å; F201-V227 HydrophobicContact CZ-CG1 4.47Å; F201-V227 HydrophobicContact CZ-CG2 4.41Å; I207-V227 HydrophobicContact CB-CG1 4.21Å; I207-V227 HydrophobicContact CD1-CG1 3.91Å; I208-V227 WeakPolarHBondContact O-CA 3.39Å; I209-V227 HydrophobicContact CG1-CG2 4.38Å; I209-V227 HydrophobicContact CG2-CG2 4.39Å; V221-V227 HydrophobicContact CG1-CG2 3.87Å
228L94.6Very high90.1Very high110 Ų11057.4 Ų57.458%0.57631%0.314SS*.EExtended strand (participates in β ladder)trans-122.2154.9-179-64176.2000110.4I207 I208I207-L228 CarbonylContact C-O 3.55Å; I207-L228 WeakPolarHBondContact CA-O 3.48Å; I207-L228 WeakPolarHBondContact CB-O 3.21Å; I208-L228 PolarHBondContact N-O 3.23Å; I208-L228 PolarHBondContact O-N 2.89Å
229D93.7Very high90.3Very high54 Ų5458.7 Ų58.729%0.28933%0.325SS..EExtended strand (participates in β ladder)trans-69.7138.4166.9-70.6-52.5000109.8K200 R205K200-D229 IonicContact NZ-OD2 2.61Å; K200-D229 PolarHBondContact NZ-OD2 2.76Å; R205-D229 IonicContact CZ-OD1 2.95Å; R205-D229 IonicContact CZ-OD2 2.75Å; R205-D229 IonicContact NE-OD1 3.84Å; R205-D229 PolarHBondContact NE-OD1 3.34Å; R205-D229 IonicContact NH2-OD1 3.36Å; R205-D229 PolarHBondContact NH2-OD1 3.22Å; R205-D229 IonicContact NH2-OD2 3.16Å; R205-D229 PolarHBondContact NH2-OD2 3.17Å
230A90.3Very high90.2Very high23 Ų2365.7 Ų65.719%0.1936%0.361CS..PPolyproline II helixtrans-67.5146.9169.800000110.1I206 I208 Q234I206-A230 HydrophobicContact CB-CB 3.79Å; I206-A230 HydrophobicContact CG2-CB 3.45Å; I206-A230 VanDerWaalsContact CG2-CB 3.45Å; I206-A230 WeakPolarHBondContact O-CB 3.15Å; I206-A230 PolarHBondContact O-N 2.68Å; I208-A230 HydrophobicContact CG1-CB 4.34Å; A230-Q234 HydrophobicContact CB-CB 4.2Å; A230-Q234 HydrophobicContact CB-CG 4.36Å
231K86.8Confident90.2Very high157 Ų15768.8 Ų68.868%0.68338%0.379SS*.PPolyproline II helixtrans-67.8157.3173.5-65.1-179.9-177.1179.10109.9D233 Q234K231-D233 WeakPolarHBondContact CB-OD1 3.35Å; K231-D233 PolarHBondContact O-N 3.11Å; K231-D233 VanDerWaalsContact O-N 3.14Å; K231-Q234 WeakPolarHBondContact O-CB 3.34Å; K231-Q234 PolarHBondContact O-N 2.73Å
232S76.3Confident90.2Very high133 Ų13369.7 Ų69.793%0.9338%0.384SS*.THydrogen-bonded Turntrans-61.8-22-174.648.70000114.7
233D78.4Confident90.4Very high123 Ų12373 Ų7366%0.65840%0.4SS*.THydrogen-bonded Turntrans-83.1-20.4176.559.1-26.4000113.4K231 K235K231-D233 WeakPolarHBondContact CB-OD1 3.35Å; K231-D233 PolarHBondContact O-N 3.11Å; K231-D233 VanDerWaalsContact O-N 3.14Å; D233-K235 PolarHBondContact O-N 2.84Å
234Q80.4Confident90.8Very high58 Ų5877.6 Ų77.627%0.27141%0.407SS..  trans-82.5114.1-176.7-171.9167.21200111I208 A230 K231I208-Q234 VanDerWaalsContact CD1-OE1 3.29Å; A230-Q234 HydrophobicContact CB-CB 4.2Å; A230-Q234 HydrophobicContact CB-CG 4.36Å; K231-Q234 WeakPolarHBondContact O-CB 3.34Å; K231-Q234 PolarHBondContact O-N 2.73Å
235K85.6Confident91.3Very high175 Ų17583 Ų8376%0.76143%0.427SS*.  trans-103.6142176.9-62.7-175.1-178.6-179.20110.5D233D233-K235 PolarHBondContact O-N 2.84Å
236V90.2Very high91.4Very high15 Ų1583 Ų839%0.09143%0.427CS..  trans-126.998.2167.2178.80000105.2P155 M157 E184 I206 V238P155-V236 HydrophobicContact CB-CG2 3.97Å; M157-V236 HydrophobicContact CB-CG1 4.46Å; E184-V236 HydrophobicContact CG-CG1 4.34Å; I206-V236 HydrophobicContact CD1-CB 4.33Å; I206-V236 HydrophobicContact CG2-CB 4.31Å; I206-V236 HydrophobicContact CG2-CG2 3.65Å; V236-V238 HydrophobicContact CG1-CG2 3.84Å; V236-V238 PolarHBondContact O-N 3.38Å
237D92.3Very high91.5Very high127 Ų12783.5 Ų83.568%0.67944%0.441SS*.  trans-86.599-179.1-169.58.8000109.3E184 P239E184-D237 WeakPolarHBondContact CG-O 3.23Å; E184-D237 PolarHBondContact OE1-N 2.8Å; D237-P239 VanDerWaalsContact O-CD 3.26Å; D237-P239 WeakPolarHBondContact O-CD 3.5Å
238V96.4Very high91.3Very high9 Ų987.4 Ų87.46%0.05546%0.458CS..  trans-88.4117.8-176.9-177.10000109.9M157 A182 V236 I242 M243M157-V238 HydrophobicContact CB-CG2 3.87Å; M157-V238 HydrophobicContact CE-CB 3.59Å; M157-V238 HydrophobicContact CE-CG1 4.35Å; M157-V238 HydrophobicContact CE-CG2 3.58Å; M157-V238 HydrophobicContact SD-CG2 4.5Å; A182-V238 HydrophobicContact CB-CG1 3.67Å; A182-V238 HydrophobicContact CB-CG2 4.01Å; V236-V238 HydrophobicContact CG1-CG2 3.84Å; V236-V238 PolarHBondContact O-N 3.38Å; V238-I242 HydrophobicContact CG1-CB 4.05Å; V238-I242 HydrophobicContact CG1-CG2 3.79Å; V238-M243 HydrophobicContact CB-CG 4.31Å; V238-M243 HydrophobicContact CG1-CG 3.73Å
239P97.2Very high91.4Very high49 Ų4984.3 Ų84.332%0.31844%0.444SS..  trans-53140175-30.536.5000114E184 D237 N241 I242 M243E184-P239 VanDerWaalsContact O-CD 3.23Å; E184-P239 WeakPolarHBondContact O-CD 3.34Å; E184-P239 WeakPolarHBondContact O-CG 3.46Å; D237-P239 VanDerWaalsContact O-CD 3.26Å; D237-P239 WeakPolarHBondContact O-CD 3.5Å; P239-N241 WeakPolarHBondContact CB-OD1 3.5Å; P239-N241 PolarHBondContact O-N 3.19Å; P239-I242 HydrophobicContact CB-CD1 4.15Å; P239-I242 HydrophobicContact CB-CG1 4.38Å; P239-I242 HydrophobicContact CG-CD1 3.96Å; P239-I242 WeakPolarHBondContact O-CB 2.95Å; P239-I242 PolarHBondContact O-N 3.4Å; P239-M243 PolarHBondContact O-N 2.87Å; P239-M243 VanDerWaalsContact O-N 3.15Å
240L96Very high91.5Very high146 Ų14683.6 Ų83.676%0.76444%0.443SS*.Hα-helixtrans-57.7-34.4-179.1-70.8175.2000113.2I242 M243 R244L240-I242 VanDerWaalsContact C-N 3.34Å; L240-M243 HydrophobicContact CD2-SD 4.42Å; L240-M243 PolarHBondContact O-N 3.4Å; L240-R244 WeakPolarHBondContact O-CB 3.44Å; L240-R244 PolarHBondContact O-N 3.2Å
241N96.4Very high91.7Very high95 Ų9586.6 Ų86.651%0.50845%0.451SS..Hα-helixtrans-65.2-36176.464.3-36.4000112.2P239 K245P239-N241 WeakPolarHBondContact CB-OD1 3.5Å; P239-N241 PolarHBondContact O-N 3.19Å; N241-K245 VanDerWaalsContact O-CB 3.29Å; N241-K245 WeakPolarHBondContact O-CB 3.27Å; N241-K245 PolarHBondContact O-N 2.91Å
242I97Very high92.1Very high19 Ų1979.2 Ų79.210%0.09742%0.419CS..Hα-helixtrans-68.3-46.8175.6-70.6169.9000109.8A182 E184 K185 F187 V238 P239 L240 R244 K245 A246A182-I242 HydrophobicContact CB-CG2 4.07Å; E184-I242 VanDerWaalsContact O-CD1 3.28Å; E184-I242 WeakPolarHBondContact O-CD1 3.31Å; K185-I242 VanDerWaalsContact O-CD1 3.3Å; K185-I242 WeakPolarHBondContact O-CD1 3.37Å; F187-I242 HydrophobicContact CB-CG2 4.01Å; F187-I242 HydrophobicContact CD1-CG2 4.26Å; V238-I242 HydrophobicContact CG1-CB 4.05Å; V238-I242 HydrophobicContact CG1-CG2 3.79Å; P239-I242 HydrophobicContact CB-CD1 4.15Å; P239-I242 HydrophobicContact CB-CG1 4.38Å; P239-I242 HydrophobicContact CG-CD1 3.96Å; P239-I242 WeakPolarHBondContact O-CB 2.95Å; P239-I242 PolarHBondContact O-N 3.4Å; L240-I242 VanDerWaalsContact C-N 3.34Å; I242-R244 VanDerWaalsContact C-N 3.29Å; I242-R244 PolarHBondContact O-N 2.98Å; I242-K245 PolarHBondContact O-N 3.22Å; I242-A246 WeakPolarHBondContact O-CB 3.41Å; I242-A246 PolarHBondContact O-N 3.25Å
243M95.1Very high92.9Very high76 Ų7676.2 Ų76.237%0.37439%0.393SS..Hα-helixtrans-58.5-42.8176.4-64.4-178.66500111.9M157 L159 V238 P239 L240 G247M157-M243 HydrophobicContact CE-CE 4.21Å; M157-M243 HydrophobicContact CE-CG 4.41Å; M157-M243 HydrophobicContact CE-SD 3.98Å; L159-M243 HydrophobicContact CD2-CE 4.38Å; L159-M243 HydrophobicContact CD2-CG 4.13Å; V238-M243 HydrophobicContact CB-CG 4.31Å; V238-M243 HydrophobicContact CG1-CG 3.73Å; P239-M243 PolarHBondContact O-N 2.87Å; P239-M243 VanDerWaalsContact O-N 3.15Å; L240-M243 HydrophobicContact CD2-SD 4.42Å; L240-M243 PolarHBondContact O-N 3.4Å; M243-G247 PolarHBondContact O-N 3.12Å
244R95.1Very high93.5Very high163 Ų16373.3 Ų73.362%0.61538%0.38SS*.Hα-helixtrans-63.8-51.7177.7-163.3-174.160.8-138.4-3.9110.8L240 I242 A246 G247 E248L240-R244 WeakPolarHBondContact O-CB 3.44Å; L240-R244 PolarHBondContact O-N 3.2Å; I242-R244 VanDerWaalsContact C-N 3.29Å; I242-R244 PolarHBondContact O-N 2.98Å; R244-A246 VanDerWaalsContact C-N 3.28Å; R244-A246 PolarHBondContact O-N 3.49Å; R244-G247 PolarHBondContact O-N 3.23Å; R244-E248 WeakPolarHBondContact CD-OE1 3.2Å; R244-E248 HydrophobicContact CG-CG 4.36Å; R244-E248 WeakPolarHBondContact CG-OE1 3.4Å; R244-E248 IonicContact NE-OE1 2.91Å; R244-E248 PolarHBondContact NE-OE1 2.93Å; R244-E248 VanDerWaalsContact O-CG 3.29Å; R244-E248 WeakPolarHBondContact O-CG 3.41Å; R244-E248 PolarHBondContact O-N 3.12Å
245K95.1Very high94.1Very high135 Ų13571 Ų7159%0.58737%0.369SS*.Hα-helixtrans-59.2-37.2179.7-168.2179.2176.9-176.20112.5F187 N241 I242 G247 E248F187-K245 HydrophobicContact CE1-CB 4.11Å; F187-K245 HydrophobicContact CE1-CD 4.01Å; F187-K245 HydrophobicContact CE1-CG 3.82Å; F187-K245 HydrophobicContact CZ-CG 4.43Å; N241-K245 VanDerWaalsContact O-CB 3.29Å; N241-K245 WeakPolarHBondContact O-CB 3.27Å; N241-K245 PolarHBondContact O-N 2.91Å; I242-K245 PolarHBondContact O-N 3.22Å; K245-G247 VanDerWaalsContact C-N 3.27Å; K245-G247 PolarHBondContact O-N 3.5Å; K245-E248 PolarHBondContact O-N 2.9Å
246A94.3Very high94Very high12 Ų1267.7 Ų67.710%0.09936%0.356CS..Hα-helixtrans-65.5-27.5177.700000113.7L159 T180 F187 I242 R244L159-A246 HydrophobicContact CD1-CB 3.53Å; T180-A246 HydrophobicContact CG2-CB 4.01Å; F187-A246 HydrophobicContact CB-CB 3.89Å; F187-A246 HydrophobicContact CD1-CB 3.85Å; F187-A246 HydrophobicContact CD2-CB 3.72Å; F187-A246 HydrophobicContact CE1-CB 4.32Å; F187-A246 HydrophobicContact CE2-CB 4.21Å; F187-A246 HydrophobicContact CG-CB 3.52Å; F187-A246 HydrophobicContact CZ-CB 4.49Å; I242-A246 WeakPolarHBondContact O-CB 3.41Å; I242-A246 PolarHBondContact O-N 3.25Å; R244-A246 VanDerWaalsContact C-N 3.28Å; R244-A246 PolarHBondContact O-N 3.49Å
247G92.1Very high93.9Very high62 Ų6272.4 Ų72.464%0.63939%0.385SS*.Hα-helixtrans-98.6-10177.600000114.7M243 R244 K245M243-G247 PolarHBondContact O-N 3.12Å; R244-G247 PolarHBondContact O-N 3.23Å; K245-G247 VanDerWaalsContact C-N 3.27Å; K245-G247 PolarHBondContact O-N 3.5Å
248E94.9Very high93.7Very high95 Ų9570.2 Ų70.244%0.44437%0.371SS..SBendtrans-70.2145.2-178.8-84.3168.2-163.900111.5R244 K245R244-E248 WeakPolarHBondContact CD-OE1 3.2Å; R244-E248 HydrophobicContact CG-CG 4.36Å; R244-E248 WeakPolarHBondContact CG-OE1 3.4Å; R244-E248 IonicContact NE-OE1 2.91Å; R244-E248 PolarHBondContact NE-OE1 2.93Å; R244-E248 VanDerWaalsContact O-CG 3.29Å; R244-E248 WeakPolarHBondContact O-CG 3.41Å; R244-E248 PolarHBondContact O-N 3.12Å; K245-E248 PolarHBondContact O-N 2.9Å
249T96.4Very high93.4Very high45 Ų4573.9 Ų73.928%0.27640%0.395SS..PPolyproline II helixtrans-85.3123.5166.9-65.10000108.5G266 L267 F268T249-G266 WeakPolarHBondContact OG1-CA 3.47Å; T249-L267 WeakPolarHBondContact CG2-O 3.46Å; T249-L267 PolarHBondContact OG1-N 3.41Å; T249-F268 HydrophobicContact CG2-CD1 4.16Å; T249-F268 HydrophobicContact CG2-CE1 3.6Å; T249-F268 HydrophobicContact CG2-CE2 4.07Å; T249-F268 HydrophobicContact CG2-CZ 3.55Å
250P94.8Very high93Very high39 Ų3976.2 Ų76.225%0.25340%0.404SS..PPolyproline II helixtrans-64.2144.6-179.726.4-33.1000110.8L255 V264 N265 F268P250-L255 HydrophobicContact CB-CD2 3.86Å; P250-L255 HydrophobicContact CB-CG 4.22Å; P250-L255 HydrophobicContact CG-CD1 4.33Å; P250-L255 HydrophobicContact CG-CD2 3.95Å; P250-L255 HydrophobicContact CG-CG 4.4Å; P250-V264 HydrophobicContact CG-CG1 3.99Å; P250-N265 WeakPolarHBondContact CD-O 3.36Å; P250-F268 HydrophobicContact CG-CZ 4.3Å
251K95.8Very high92.5Very high86 Ų8670.3 Ų70.337%0.37438%0.378SS..PPolyproline II helixtrans-73.2141.6174.1-63.2-54.1-176.1-168.40110.7N253 T254 L255 D286 T288K251-N253 VanDerWaalsContact C-N 3.32Å; K251-N253 WeakPolarHBondContact CB-OD1 3.36Å; K251-N253 PolarHBondContact O-N 3.02Å; K251-T254 WeakPolarHBondContact O-CB 3.35Å; K251-T254 PolarHBondContact O-N 3.32Å; K251-L255 PolarHBondContact O-N 3.11Å; K251-L255 VanDerWaalsContact O-N 3.14Å; K251-D286 WeakPolarHBondContact CA-OD2 2.95Å; K251-D286 WeakPolarHBondContact CD-OD2 3.34Å; K251-T288 HydrophobicContact CB-CG2 4.05Å; K251-T288 HydrophobicContact CD-CG2 3.97Å; K251-T288 HydrophobicContact CG-CG2 4.11Å
252I93.9Very high92.3Very high1 Ų167.3 Ų67.31%0.00536%0.363CS..Hα-helixtrans-61-41.4-176.1-68.8173.5000111.5T254 L255 Q256 F268 D286 T288 G289 E290 M291I252-T254 PolarHBondContact O-N 2.89Å; I252-L255 WeakPolarHBondContact O-CB 3.49Å; I252-L255 PolarHBondContact O-N 3.12Å; I252-L255 VanDerWaalsContact O-N 3.09Å; I252-Q256 PolarHBondContact O-N 2.91Å; I252-F268 HydrophobicContact CD1-CD1 4.44Å; I252-F268 HydrophobicContact CG1-CD1 4.41Å; I252-F268 HydrophobicContact CG1-CE1 4.24Å; I252-D286 HydrophobicContact CD1-CB 4.17Å; I252-D286 PolarHBondContact N-OD2 3.28Å; I252-T288 PolarHBondContact N-OG1 3.42Å; I252-T288 VanDerWaalsContact N-OG1 3.17Å; I252-G289 VanDerWaalsContact CD1-O 3.3Å; I252-G289 WeakPolarHBondContact CD1-O 3.5Å; I252-E290 WeakPolarHBondContact CG2-O 3.39Å; I252-M291 HydrophobicContact CD1-CE 4.43Å; I252-M291 HydrophobicContact CD1-CG 3.92Å; I252-M291 HydrophobicContact CD1-SD 4.4Å; I252-M291 HydrophobicContact CG1-CE 4.15Å; I252-M291 HydrophobicContact CG1-CG 4.03Å; I252-M291 HydrophobicContact CG1-SD 3.91Å; I252-M291 HydrophobicContact CG2-CB 3.92Å; I252-M291 HydrophobicContact CG2-CG 4.23Å; I252-M291 HydrophobicContact CG2-SD 4.47Å
253N92.4Very high92.2Very high71 Ų7167.1 Ų67.138%0.3836%0.363SS..Hα-helixtrans-61.8-31.4175.470.8-11.1000113.4K251 L255 Q256 T288K251-N253 VanDerWaalsContact C-N 3.32Å; K251-N253 WeakPolarHBondContact CB-OD1 3.36Å; K251-N253 PolarHBondContact O-N 3.02Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-Q256 WeakPolarHBondContact O-CB 3.38Å; N253-Q256 PolarHBondContact O-N 3.17Å; N253-T288 PolarHBondContact N-OG1 2.65Å
254T92.7Very high92.2Very high62 Ų6263.6 Ų63.638%0.3835%0.345SS..Hα-helixtrans-72.6-32.4177.9-55.40000110.3K251 I252 Q256 T257 Q258K251-T254 WeakPolarHBondContact O-CB 3.35Å; K251-T254 PolarHBondContact O-N 3.32Å; I252-T254 PolarHBondContact O-N 2.89Å; T254-Q256 VanDerWaalsContact C-N 3.33Å; T254-T257 PolarHBondContact O-N 3.31Å; T254-T257 PolarHBondContact O-OG1 2.94Å; T254-Q258 WeakPolarHBondContact O-CG 3.28Å
255L91.6Very high92.2Very high8 Ų857 Ų574%0.04232%0.322CS..Hα-helixtrans-67.3-33.6175.5-63.7177.3000112P250 K251 I252 N253 T257 Q258 V264 M291 L317P250-L255 HydrophobicContact CB-CD2 3.86Å; P250-L255 HydrophobicContact CB-CG 4.22Å; P250-L255 HydrophobicContact CG-CD1 4.33Å; P250-L255 HydrophobicContact CG-CD2 3.95Å; P250-L255 HydrophobicContact CG-CG 4.4Å; K251-L255 PolarHBondContact O-N 3.11Å; K251-L255 VanDerWaalsContact O-N 3.14Å; I252-L255 WeakPolarHBondContact O-CB 3.49Å; I252-L255 PolarHBondContact O-N 3.12Å; I252-L255 VanDerWaalsContact O-N 3.09Å; N253-L255 VanDerWaalsContact C-N 3.32Å; L255-T257 PolarHBondContact O-N 3.4Å; L255-T257 VanDerWaalsContact O-N 3.17Å; L255-Q258 PolarHBondContact O-N 2.85Å; L255-V264 HydrophobicContact CD1-CG1 4.03Å; L255-V264 HydrophobicContact CD1-CG2 4.45Å; L255-V264 HydrophobicContact CD2-CG1 4.33Å; L255-V264 HydrophobicContact CD2-CG2 3.78Å; L255-M291 HydrophobicContact CD1-CE 4.2Å; L255-M291 HydrophobicContact CD1-SD 3.65Å; L255-L317 WeakPolarHBondContact O-CD2 3Å
256Q83.8Confident92.3Very high106 Ų10650.8 Ų50.850%0.49530%0.296SS..Hα-helixtrans-58.7-28177.3-75.7168.66.300113.7I252 N253 T254 P324I252-Q256 PolarHBondContact O-N 2.91Å; N253-Q256 WeakPolarHBondContact O-CB 3.38Å; N253-Q256 PolarHBondContact O-N 3.17Å; T254-Q256 VanDerWaalsContact C-N 3.33Å; Q256-P324 HydrophobicContact CG-CB 4.45Å; Q256-P324 HydrophobicContact CG-CG 3.77Å
257T88.1Confident92.4Very high114 Ų11452.5 Ų52.570%0.69930%0.304SS*.THydrogen-bonded Turntrans-95.8-4.6179.461.70000113.5T254 L255T254-T257 PolarHBondContact O-N 3.31Å; T254-T257 PolarHBondContact O-OG1 2.94Å; L255-T257 PolarHBondContact O-N 3.4Å; L255-T257 VanDerWaalsContact O-N 3.17Å
258Q89.1Confident92.6Very high82 Ų8249.7 Ų49.738%0.38327%0.274SS..SBendtrans-78.8152.7179-68.4-56.4-44.200111.6T254 L255 T262 L317T254-Q258 WeakPolarHBondContact O-CG 3.28Å; L255-Q258 PolarHBondContact O-N 2.85Å; Q258-T262 HydrophobicContact CB-CG2 4.3Å; Q258-T262 HydrophobicContact CG-CG2 4.41Å; Q258-L317 HydrophobicContact CB-CD2 3.68Å
259P89.3Confident92.7Very high86 Ų8647.9 Ų47.956%0.55827%0.269SS*.PPolyproline II helixtrans-64.9153.1174.427-32.7000111.8T262P259-T262 WeakPolarHBondContact O-CB 3.31Å; P259-T262 PolarHBondContact O-N 3.29Å; P259-T262 PolarHBondContact O-OG1 2.81Å
260L88.3Confident92.7Very high98 Ų9845.7 Ų45.751%0.51326%0.256SS..THydrogen-bonded Turntrans-62.8146.7171-54.7-176.7000109.9T262 K319L260-T262 VanDerWaalsContact C-N 3.31Å; L260-K319 HydrophobicContact CD1-CD 4.42Å; L260-K319 HydrophobicContact CD2-CB 4.43Å; L260-K319 HydrophobicContact CD2-CD 3.96Å; L260-K319 HydrophobicContact CD2-CG 3.73Å
261G87.3Confident92.7Very high21 Ų2147.1 Ų47.122%0.21626%0.259CS..THydrogen-bonded Turntrans88.6-9.2-173.600000114I263 L317G261-I263 PolarHBondContact O-N 3.39Å; G261-L317 PolarHBondContact N-O 3.46Å
262T91.7Very high92.7Very high32 Ų3248.4 Ų48.420%0.19627%0.265CS..  trans-57.3131.9175.1-68.20000111.2Q258 P259 L260 L317Q258-T262 HydrophobicContact CB-CG2 4.3Å; Q258-T262 HydrophobicContact CG-CG2 4.41Å; P259-T262 WeakPolarHBondContact O-CB 3.31Å; P259-T262 PolarHBondContact O-N 3.29Å; P259-T262 PolarHBondContact O-OG1 2.81Å; L260-T262 VanDerWaalsContact C-N 3.31Å; T262-L317 PolarHBondContact O-N 2.67Å
263I94.3Very high92.7Very high16 Ų1650.5 Ų50.58%0.08228%0.277CS..EExtended strand (participates in β ladder)trans-77.9128.5175.2-58.7-56000110.2F189 F218 G261 F314 F315F189-I263 HydrophobicContact CD2-CB 4.2Å; F189-I263 HydrophobicContact CD2-CG2 3.81Å; F189-I263 HydrophobicContact CE2-CG2 4.35Å; F218-I263 HydrophobicContact CD1-CD1 4.03Å; F218-I263 HydrophobicContact CD1-CG1 3.78Å; F218-I263 HydrophobicContact CE1-CD1 4.37Å; G261-I263 PolarHBondContact O-N 3.39Å; I263-F314 HydrophobicContact CD1-CD1 4.14Å; I263-F314 HydrophobicContact CD1-CE1 4.46Å; I263-F314 HydrophobicContact CG1-CD1 4.39Å; I263-F314 HydrophobicContact CG1-CE1 4.32Å; I263-F314 HydrophobicContact CG2-CD1 3.72Å; I263-F314 HydrophobicContact CG2-CE1 3.97Å; I263-F314 HydrophobicContact CG2-CG 4.25Å; I263-F315 CarbonylContact C-O 3.41Å; I263-F315 WeakPolarHBondContact CA-O 3.22Å
264V95.2Very high92.6Very high1 Ų149.4 Ų49.41%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-117.4122.2-178.7-176.20000110.1P250 L255 F268 F315 L317 L326P250-V264 HydrophobicContact CG-CG1 3.99Å; L255-V264 HydrophobicContact CD1-CG1 4.03Å; L255-V264 HydrophobicContact CD1-CG2 4.45Å; L255-V264 HydrophobicContact CD2-CG1 4.33Å; L255-V264 HydrophobicContact CD2-CG2 3.78Å; V264-F268 HydrophobicContact CG1-CE2 4.39Å; V264-F268 HydrophobicContact CG1-CZ 4.3Å; V264-F315 PolarHBondContact N-O 3.06Å; V264-F315 PolarHBondContact O-N 3.34Å; V264-L317 HydrophobicContact CG2-CB 4.3Å; V264-L326 HydrophobicContact CB-CD1 4.29Å; V264-L326 HydrophobicContact CB-CD2 4.05Å; V264-L326 HydrophobicContact CG1-CD1 3.92Å; V264-L326 HydrophobicContact CG1-CD2 4.36Å; V264-L326 HydrophobicContact CG2-CD2 3.74Å
265N95.9Very high92.5Very high26 Ų2651.8 Ų51.814%0.13928%0.28CS..EExtended strand (participates in β ladder)trans-123.2132.6173.3-67.2-39.6000108F189 P250 L312 T313 F314F189-N265 WeakPolarHBondContact CD1-ND2 3.21Å; F189-N265 WeakPolarHBondContact CD2-ND2 3.43Å; F189-N265 HydrophobicContact CE1-CB 4.3Å; F189-N265 WeakPolarHBondContact CE1-ND2 3.39Å; F189-N265 VanDerWaalsContact CE2-ND2 3.31Å; F189-N265 WeakPolarHBondContact CE2-ND2 3.47Å; F189-N265 WeakPolarHBondContact CG-ND2 3.25Å; F189-N265 HydrophobicContact CZ-CB 4.07Å; F189-N265 WeakPolarHBondContact CZ-ND2 3.4Å; P250-N265 WeakPolarHBondContact CD-O 3.36Å; N265-L312 WeakPolarHBondContact CA-O 3.5Å; N265-T313 VanDerWaalsContact OD1-CA 3.27Å; N265-T313 WeakPolarHBondContact OD1-CA 3.44Å; N265-F314 PolarHBondContact OD1-N 3.04Å
266G95.6Very high92.1Very high4 Ų456.2 Ų56.24%0.04130%0.299CS..EExtended strand (participates in β ladder)trans177.3172.4-174.800000115.5T249 R311 L312T249-G266 WeakPolarHBondContact OG1-CA 3.47Å; G266-R311 CarbonylContact O-C 3.49Å; G266-R311 WeakPolarHBondContact O-CA 3Å; G266-L312 PolarHBondContact N-O 3.46Å; G266-L312 PolarHBondContact O-N 3.23Å
267L96.5Very high92.1Very high48 Ų4861.1 Ų61.125%0.25132%0.318SS..EExtended strand (participates in β ladder)trans-117.5114.7172.4-17868.5000110T249 K309 V310 R311 I337T249-L267 WeakPolarHBondContact CG2-O 3.46Å; T249-L267 PolarHBondContact OG1-N 3.41Å; L267-K309 HydrophobicContact CD1-CB 3.76Å; L267-K309 HydrophobicContact CD2-CD 4.1Å; L267-K309 HydrophobicContact CG-CB 4.25Å; L267-K309 HydrophobicContact CG-CD 4.29Å; L267-V310 WeakPolarHBondContact CA-O 3.31Å; L267-R311 HydrophobicContact CD1-CB 4.26Å; L267-I337 HydrophobicContact CD1-CD1 3.69Å
268F96.3Very high91.9Very high3 Ų363.8 Ų63.81%0.01332%0.321CS..EExtended strand (participates in β ladder)trans-118.6150.1-176.1-58.9-83.8000110.9T249 P250 I252 V264 L284 M291 K309 V310 L312T249-F268 HydrophobicContact CG2-CD1 4.16Å; T249-F268 HydrophobicContact CG2-CE1 3.6Å; T249-F268 HydrophobicContact CG2-CE2 4.07Å; T249-F268 HydrophobicContact CG2-CZ 3.55Å; P250-F268 HydrophobicContact CG-CZ 4.3Å; I252-F268 HydrophobicContact CD1-CD1 4.44Å; I252-F268 HydrophobicContact CG1-CD1 4.41Å; I252-F268 HydrophobicContact CG1-CE1 4.24Å; V264-F268 HydrophobicContact CG1-CE2 4.39Å; V264-F268 HydrophobicContact CG1-CZ 4.3Å; F268-L284 HydrophobicContact CB-CB 4.06Å; F268-L284 HydrophobicContact CB-CD1 3.88Å; F268-L284 HydrophobicContact CB-CD2 4.14Å; F268-L284 HydrophobicContact CB-CG 4.25Å; F268-L284 HydrophobicContact CD2-CD1 4.25Å; F268-L284 HydrophobicContact CG-CD1 4.1Å; F268-M291 HydrophobicContact CD1-CE 3.49Å; F268-M291 VanDerWaalsContact CD1-CE 3.49Å; F268-M291 HydrophobicContact CD2-CE 3.88Å; F268-M291 HydrophobicContact CE1-CE 3.37Å; F268-M291 HydrophobicContact CE2-CE 3.77Å; F268-M291 HydrophobicContact CG-CE 3.75Å; F268-M291 HydrophobicContact CZ-CE 3.52Å; F268-K309 CarbonylContact O-C 3.52Å; F268-K309 WeakPolarHBondContact O-CA 3.35Å; F268-K309 WeakPolarHBondContact O-CB 3.31Å; F268-V310 HydrophobicContact CB-CG2 4.46Å; F268-V310 PolarHBondContact N-O 3.49Å; F268-V310 PolarHBondContact O-N 3.31Å; F268-L312 HydrophobicContact CD2-CD1 3.84Å; F268-L312 HydrophobicContact CD2-CG 4.1Å; F268-L312 HydrophobicContact CE2-CD1 4.04Å; F268-L312 HydrophobicContact CE2-CG 4.46Å
269V96.8Very high91.8Very high56 Ų5662.3 Ų62.334%0.33932%0.315SS..EExtended strand (participates in β ladder)trans-82.5138.2171.91790000108.1L284 S285 K309V269-L284 VanDerWaalsContact O-CA 3.31Å; V269-L284 WeakPolarHBondContact O-CA 3.21Å; V269-S285 PolarHBondContact O-N 2.87Å; V269-K309 HydrophobicContact CG2-CG 4.13Å
270V96.8Very high91.9Very high0 Ų058.3 Ų58.30%029%0.289CS..EExtended strand (participates in β ladder)trans-90.1117.4174.7-179.60000108.5V273 F282 L284 G307 D308 V310V270-V273 HydrophobicContact CG1-CG2 3.71Å; V270-F282 HydrophobicContact CG1-CD1 3.9Å; V270-F282 HydrophobicContact CG2-CD1 4.47Å; V270-L284 HydrophobicContact CG2-CD2 3.94Å; V270-G307 PolarHBondContact O-N 2.85Å; V270-D308 WeakPolarHBondContact CB-O 3.17Å; V270-D308 PolarHBondContact N-O 2.94Å; V270-V310 HydrophobicContact CG2-CB 4.33Å; V270-V310 HydrophobicContact CG2-CG1 3.6Å; V270-V310 HydrophobicContact CG2-CG2 3.92Å
271Q95.6Very high92.1Very high69 Ų6954.3 Ų54.332%0.32227%0.268SS..EExtended strand (participates in β ladder)trans-91.1-33.9176.4-173.5172.67.100111.6D283 S285 E290 E306Q271-D283 PolarHBondContact N-O 2.93Å; Q271-S285 VanDerWaalsContact OE1-CB 3.26Å; Q271-S285 PolarHBondContact OE1-OG 3.43Å; Q271-E290 PolarHBondContact NE2-OE1 3.41Å; Q271-E290 VanDerWaalsContact OE1-CD 3.29Å; Q271-E290 PolarHBondContact OE1-OE1 2.95Å; Q271-E306 WeakPolarHBondContact O-CG 3.45Å
272K94.6Very high92.5Very high113 Ų11353.3 Ų53.349%0.49126%0.258SS..EExtended strand (participates in β ladder)trans-151.7149.2177.5-175.4177.1175.2-173.90111.2F282 D283K272-F282 WeakPolarHBondContact O-CA 3.33Å; K272-D283 HydrophobicContact CB-CB 3.97Å; K272-D283 WeakPolarHBondContact CB-OD2 3.19Å; K272-D283 WeakPolarHBondContact CD-OD2 3.28Å; K272-D283 PolarHBondContact N-O 3.22Å; K272-D283 PolarHBondContact O-N 3.44Å
273V94.1Very high92.6Very high44 Ų4453.2 Ų53.227%0.26726%0.256SS..EExtended strand (participates in β ladder)trans-119.1123.7175.8-172.30000108.2V270 V280 F282V270-V273 HydrophobicContact CG1-CG2 3.71Å; V273-V280 HydrophobicContact CG1-CG1 3.54Å; V273-F282 HydrophobicContact CB-CD1 4.28Å; V273-F282 HydrophobicContact CB-CE1 4.29Å; V273-F282 HydrophobicContact CG1-CD1 3.98Å; V273-F282 HydrophobicContact CG1-CE1 3.64Å; V273-F282 HydrophobicContact CG2-CD1 3.84Å; V273-F282 HydrophobicContact CG2-CE1 3.84Å
274T92Very high92.7Very high49 Ų4952.5 Ų52.530%0.30125%0.252SS..EExtended strand (participates in β ladder)trans-121.5112.8175.4-55.30000109.6L281T274-L281 PolarHBondContact N-O 3.3Å; T274-L281 PolarHBondContact O-N 3.29Å
275E88.9Confident92.6Very high111 Ų11153.6 Ų53.652%0.51926%0.26SS..EExtended strand (participates in β ladder)trans-75.1136177.6-66.5-166.9-155.100111.8R297E275-R297 IonicContact OE2-CZ 2.74Å; E275-R297 IonicContact OE2-NE 2.95Å; E275-R297 IonicContact OE2-NH2 2.84Å; E275-R297 PolarHBondContact OE2-NH2 3.45Å
276K83.9Confident92.5Very high101 Ų10154.2 Ų54.244%0.43926%0.264SS..  trans-121.8168.8169.8-58.2-173.7177-177.90109.1K278 N279 L294K276-K278 PolarHBondContact O-N 3.45Å; K276-N279 CarbonylContact C-O 3.56Å; K276-N279 VanDerWaalsContact CA-O 3.31Å; K276-N279 WeakPolarHBondContact CA-O 3.1Å; K276-N279 VanDerWaalsContact CB-O 3.31Å; K276-N279 WeakPolarHBondContact CB-O 3.29Å; K276-N279 PolarHBondContact N-O 3.04Å; K276-L294 HydrophobicContact CD-CD1 4.35Å
277K83.3Confident92.5Very high209 Ų20963 Ų6391%0.90930%0.3SS*.SBendtrans-49-48.7-175.2-81.2-173.4176-179.60114.5
278K84.4Confident92.4Very high171 Ų17162.7 Ų62.774%0.74330%0.301SS*.SBendtrans-118-8.9-177.5-65.5-172.4176.8-1760114K276 R297K276-K278 PolarHBondContact O-N 3.45Å; K278-R297 WeakPolarHBondContact O-CB 3.24Å; K278-R297 PolarHBondContact O-N 3.01Å; K278-R297 VanDerWaalsContact O-N 3.17Å
279N87.9Confident92.2Very high51 Ų5163.7 Ų63.727%0.27331%0.312SS..EExtended strand (participates in β ladder)trans-134160.5-169.8-63-29.8000110.1K276 L294 V295K276-N279 CarbonylContact C-O 3.56Å; K276-N279 VanDerWaalsContact CA-O 3.31Å; K276-N279 WeakPolarHBondContact CA-O 3.1Å; K276-N279 VanDerWaalsContact CB-O 3.31Å; K276-N279 WeakPolarHBondContact CB-O 3.29Å; K276-N279 PolarHBondContact N-O 3.04Å; N279-L294 HydrophobicContact CB-CD1 3.71Å; N279-L294 HydrophobicContact CB-CG 4.19Å; N279-V295 CarbonylContact C-O 3.4Å; N279-V295 WeakPolarHBondContact CA-O 3.29Å; N279-V295 VanDerWaalsContact CB-O 3.24Å; N279-V295 WeakPolarHBondContact CB-O 3.44Å
280V90.5Very high92Very high1 Ų166.7 Ų66.71%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-116.6133.5168.8-175.20000107.5V273 F282 V295 R297V273-V280 HydrophobicContact CG1-CG1 3.54Å; V280-F282 HydrophobicContact CB-CZ 4.37Å; V280-F282 HydrophobicContact CG1-CD1 4.17Å; V280-F282 HydrophobicContact CG1-CE1 3.71Å; V280-F282 HydrophobicContact CG1-CE2 4.28Å; V280-F282 HydrophobicContact CG1-CZ 3.77Å; V280-V295 HydrophobicContact CB-CG2 3.86Å; V280-V295 PolarHBondContact N-O 2.73Å; V280-V295 WeakPolarHBondContact O-CG2 3.36Å; V280-V295 PolarHBondContact O-N 2.98Å; V280-R297 HydrophobicContact CG2-CB 4.32Å; V280-R297 HydrophobicContact CG2-CG 4.11Å
281L92.5Very high91.8Very high15 Ų1567.2 Ų67.28%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-99.5120.4172.4-174.272.6000107.8T274 E292 V293 L294T274-L281 PolarHBondContact N-O 3.3Å; T274-L281 PolarHBondContact O-N 3.29Å; L281-E292 HydrophobicContact CD1-CB 4.04Å; L281-V293 WeakPolarHBondContact CA-O 3.42Å; L281-L294 HydrophobicContact CB-CD1 4.42Å; L281-L294 HydrophobicContact CD1-CB 4.34Å; L281-L294 HydrophobicContact CD1-CD1 4.13Å
282F94.8Very high91.8Very high0 Ų065.8 Ų65.80%032%0.318CS..EExtended strand (participates in β ladder)trans-103.3128.8171.2-60.5-64.4000109.7V270 K272 V273 V280 L284 E292 V293 V295 T301 C304 I334V270-F282 HydrophobicContact CG1-CD1 3.9Å; V270-F282 HydrophobicContact CG2-CD1 4.47Å; K272-F282 WeakPolarHBondContact O-CA 3.33Å; V273-F282 HydrophobicContact CB-CD1 4.28Å; V273-F282 HydrophobicContact CB-CE1 4.29Å; V273-F282 HydrophobicContact CG1-CD1 3.98Å; V273-F282 HydrophobicContact CG1-CE1 3.64Å; V273-F282 HydrophobicContact CG2-CD1 3.84Å; V273-F282 HydrophobicContact CG2-CE1 3.84Å; V280-F282 HydrophobicContact CB-CZ 4.37Å; V280-F282 HydrophobicContact CG1-CD1 4.17Å; V280-F282 HydrophobicContact CG1-CE1 3.71Å; V280-F282 HydrophobicContact CG1-CE2 4.28Å; V280-F282 HydrophobicContact CG1-CZ 3.77Å; F282-L284 HydrophobicContact CB-CD2 3.9Å; F282-L284 HydrophobicContact CB-CG 4.43Å; F282-E292 CarbonylContact O-C 3.47Å; F282-E292 WeakPolarHBondContact O-CA 3.09Å; F282-V293 HydrophobicContact CB-CG1 3.63Å; F282-V293 HydrophobicContact CD2-CG1 4.02Å; F282-V293 HydrophobicContact CG-CG1 4.32Å; F282-V293 PolarHBondContact N-O 3.01Å; F282-V293 PolarHBondContact O-N 3.03Å; F282-V295 HydrophobicContact CD2-CG1 4.18Å; F282-V295 HydrophobicContact CD2-CG2 3.86Å; F282-V295 HydrophobicContact CE2-CG1 4.3Å; F282-V295 HydrophobicContact CE2-CG2 3.43Å; F282-V295 VanDerWaalsContact CE2-CG2 3.43Å; F282-V295 HydrophobicContact CZ-CG2 4.34Å; F282-T301 HydrophobicContact CE2-CG2 4.23Å; F282-T301 HydrophobicContact CZ-CG2 4.39Å; F282-C304 HydrophobicContact CE1-CB 3.68Å; F282-C304 HydrophobicContact CZ-CB 3.82Å; F282-I334 HydrophobicContact CD2-CD1 4.04Å; F282-I334 HydrophobicContact CE2-CD1 3.64Å
283D94.9Very high91.7Very high30 Ų3060.4 Ų60.416%0.1630%0.295CS..EExtended strand (participates in β ladder)trans-88114.3166.8-57.6-23.8000106.6Q271 K272Q271-D283 PolarHBondContact N-O 2.93Å; K272-D283 HydrophobicContact CB-CB 3.97Å; K272-D283 WeakPolarHBondContact CB-OD2 3.19Å; K272-D283 WeakPolarHBondContact CD-OD2 3.28Å; K272-D283 PolarHBondContact N-O 3.22Å; K272-D283 PolarHBondContact O-N 3.44Å
284L95.3Very high91.6Very high0 Ų060.2 Ų60.20%029%0.292CS..EExtended strand (participates in β ladder)trans-102.8142.6-177-56.8-178.5000109.7F268 V269 V270 F282 E290 M291 V293 V310 L312F268-L284 HydrophobicContact CB-CB 4.06Å; F268-L284 HydrophobicContact CB-CD1 3.88Å; F268-L284 HydrophobicContact CB-CD2 4.14Å; F268-L284 HydrophobicContact CB-CG 4.25Å; F268-L284 HydrophobicContact CD2-CD1 4.25Å; F268-L284 HydrophobicContact CG-CD1 4.1Å; V269-L284 VanDerWaalsContact O-CA 3.31Å; V269-L284 WeakPolarHBondContact O-CA 3.21Å; V270-L284 HydrophobicContact CG2-CD2 3.94Å; F282-L284 HydrophobicContact CB-CD2 3.9Å; F282-L284 HydrophobicContact CB-CG 4.43Å; L284-E290 CarbonylContact O-C 3.52Å; L284-E290 VanDerWaalsContact O-CA 3.26Å; L284-E290 WeakPolarHBondContact O-CA 3.45Å; L284-M291 WeakPolarHBondContact CA-O 3.4Å; L284-M291 HydrophobicContact CB-CE 4.22Å; L284-M291 HydrophobicContact CB-CG 3.99Å; L284-M291 WeakPolarHBondContact CB-O 3.25Å; L284-M291 HydrophobicContact CD1-CE 3.64Å; L284-M291 HydrophobicContact CD1-CG 4.49Å; L284-M291 PolarHBondContact N-O 3.17Å; L284-M291 PolarHBondContact O-N 3.45Å; L284-V293 HydrophobicContact CD1-CB 3.99Å; L284-V293 HydrophobicContact CD1-CG1 3.47Å; L284-V293 VanDerWaalsContact CD1-CG1 3.47Å; L284-V293 HydrophobicContact CD2-CG1 4.2Å; L284-V293 HydrophobicContact CG-CG1 3.8Å; L284-V310 HydrophobicContact CD1-CG2 4.39Å; L284-V310 HydrophobicContact CD2-CG2 3.53Å; L284-L312 HydrophobicContact CD1-CD1 3.86Å
285S93.4Very high91.4Very high25 Ų2557.9 Ų57.918%0.17528%0.278CS..EExtended strand (participates in β ladder)trans-138153.7178.463.40000113.6V269 Q271 G289V269-S285 PolarHBondContact O-N 2.87Å; Q271-S285 VanDerWaalsContact OE1-CB 3.26Å; Q271-S285 PolarHBondContact OE1-OG 3.43Å; S285-G289 WeakPolarHBondContact CA-O 3.21Å
286D94Very high91.3Very high39 Ų3956.9 Ų56.921%0.20928%0.279CS..EExtended strand (participates in β ladder)trans-142.9-179.8164.176.19000109.3K251 I252 T288 G289K251-D286 WeakPolarHBondContact CA-OD2 2.95Å; K251-D286 WeakPolarHBondContact CD-OD2 3.34Å; I252-D286 HydrophobicContact CD1-CB 4.17Å; I252-D286 PolarHBondContact N-OD2 3.28Å; D286-T288 PolarHBondContact O-N 3.46Å; D286-T288 VanDerWaalsContact OD1-CA 3.28Å; D286-T288 WeakPolarHBondContact OD1-CA 3.39Å; D286-T288 VanDerWaalsContact OD1-CB 3.32Å; D286-T288 WeakPolarHBondContact OD1-CB 3.23Å; D286-T288 PolarHBondContact OD1-N 3.2Å; D286-T288 PolarHBondContact OD1-OG1 3.48Å; D286-T288 PolarHBondContact OD2-OG1 3.24Å; D286-G289 PolarHBondContact N-O 3.36Å; D286-G289 PolarHBondContact O-N 3.16Å; D286-G289 PolarHBondContact OD1-N 3.34Å
287K95.2Very high91.3Very high187 Ų18757 Ų5781%0.81328%0.277SS*.THydrogen-bonded Turntrans-61.6-7.1179.567.5175.2-175.2172.10115.1
288T94.3Very high91.2Very high43 Ų4350.4 Ų50.426%0.26425%0.252SS..THydrogen-bonded Turntrans-110.4-10.4-175.372.90000113.4K251 I252 N253 D286K251-T288 HydrophobicContact CB-CG2 4.05Å; K251-T288 HydrophobicContact CD-CG2 3.97Å; K251-T288 HydrophobicContact CG-CG2 4.11Å; I252-T288 PolarHBondContact N-OG1 3.42Å; I252-T288 VanDerWaalsContact N-OG1 3.17Å; N253-T288 PolarHBondContact N-OG1 2.65Å; D286-T288 PolarHBondContact O-N 3.46Å; D286-T288 VanDerWaalsContact OD1-CA 3.28Å; D286-T288 WeakPolarHBondContact OD1-CA 3.39Å; D286-T288 VanDerWaalsContact OD1-CB 3.32Å; D286-T288 WeakPolarHBondContact OD1-CB 3.23Å; D286-T288 PolarHBondContact OD1-N 3.2Å; D286-T288 PolarHBondContact OD1-OG1 3.48Å; D286-T288 PolarHBondContact OD2-OG1 3.24Å
289G92.1Very high91Very high24 Ų2449.4 Ų49.425%0.24725%0.25CC..EExtended strand (participates in β ladder)trans158.3-167.6175.600000113.7I252 S285 D286I252-G289 VanDerWaalsContact CD1-O 3.3Å; I252-G289 WeakPolarHBondContact CD1-O 3.5Å; S285-G289 WeakPolarHBondContact CA-O 3.21Å; D286-G289 PolarHBondContact N-O 3.36Å; D286-G289 PolarHBondContact O-N 3.16Å; D286-G289 PolarHBondContact OD1-N 3.34Å
290E93Very high90.6Very high118 Ų11851.3 Ų51.355%0.55126%0.26SS*.EExtended strand (participates in β ladder)trans-123147.7179.2-60.9179.1176.400109.8I252 Q271 L284I252-E290 WeakPolarHBondContact CG2-O 3.39Å; Q271-E290 PolarHBondContact NE2-OE1 3.41Å; Q271-E290 VanDerWaalsContact OE1-CD 3.29Å; Q271-E290 PolarHBondContact OE1-OE1 2.95Å; L284-E290 CarbonylContact O-C 3.52Å; L284-E290 VanDerWaalsContact O-CA 3.26Å; L284-E290 WeakPolarHBondContact O-CA 3.45Å
291M93.6Very high90.3Very high11 Ų1151.3 Ų51.35%0.05426%0.26CS..EExtended strand (participates in β ladder)trans-147150.917368.3178.1-179.100111I252 L255 F268 L284 L326I252-M291 HydrophobicContact CD1-CE 4.43Å; I252-M291 HydrophobicContact CD1-CG 3.92Å; I252-M291 HydrophobicContact CD1-SD 4.4Å; I252-M291 HydrophobicContact CG1-CE 4.15Å; I252-M291 HydrophobicContact CG1-CG 4.03Å; I252-M291 HydrophobicContact CG1-SD 3.91Å; I252-M291 HydrophobicContact CG2-CB 3.92Å; I252-M291 HydrophobicContact CG2-CG 4.23Å; I252-M291 HydrophobicContact CG2-SD 4.47Å; L255-M291 HydrophobicContact CD1-CE 4.2Å; L255-M291 HydrophobicContact CD1-SD 3.65Å; F268-M291 HydrophobicContact CD1-CE 3.49Å; F268-M291 VanDerWaalsContact CD1-CE 3.49Å; F268-M291 HydrophobicContact CD2-CE 3.88Å; F268-M291 HydrophobicContact CE1-CE 3.37Å; F268-M291 HydrophobicContact CE2-CE 3.77Å; F268-M291 HydrophobicContact CG-CE 3.75Å; F268-M291 HydrophobicContact CZ-CE 3.52Å; L284-M291 WeakPolarHBondContact CA-O 3.4Å; L284-M291 HydrophobicContact CB-CE 4.22Å; L284-M291 HydrophobicContact CB-CG 3.99Å; L284-M291 WeakPolarHBondContact CB-O 3.25Å; L284-M291 HydrophobicContact CD1-CE 3.64Å; L284-M291 HydrophobicContact CD1-CG 4.49Å; L284-M291 PolarHBondContact N-O 3.17Å; L284-M291 PolarHBondContact O-N 3.45Å; M291-L326 HydrophobicContact CE-CD1 3.51Å; M291-L326 HydrophobicContact CE-CG 4.38Å; M291-L326 HydrophobicContact SD-CD1 3.8Å; M291-L326 HydrophobicContact SD-CG 4.05Å
292E94.2Very high89.9Confident40 Ų4054.5 Ų54.519%0.18728%0.275CS..EExtended strand (participates in β ladder)trans-93.3143.3177.1-66.2177.3-171.900110.6L281 F282 Q325 L326L281-E292 HydrophobicContact CD1-CB 4.04Å; F282-E292 CarbonylContact O-C 3.47Å; F282-E292 WeakPolarHBondContact O-CA 3.09Å; E292-Q325 HydrophobicContact CB-CG 4.16Å; E292-Q325 CarbonylContact O-C 3.6Å; E292-Q325 WeakPolarHBondContact O-CA 3.46Å; E292-Q325 WeakPolarHBondContact O-CG 3.47Å; E292-Q325 PolarHBondContact OE2-NE2 3.37Å; E292-L326 PolarHBondContact O-N 2.88Å
293V94.3Very high89.4Confident0 Ų059.2 Ų59.20%030%0.297CS..EExtended strand (participates in β ladder)trans-125.4127.6164.563.70000110.6L281 F282 L284 V295 L312 F315 L326L281-V293 WeakPolarHBondContact CA-O 3.42Å; F282-V293 HydrophobicContact CB-CG1 3.63Å; F282-V293 HydrophobicContact CD2-CG1 4.02Å; F282-V293 HydrophobicContact CG-CG1 4.32Å; F282-V293 PolarHBondContact N-O 3.01Å; F282-V293 PolarHBondContact O-N 3.03Å; L284-V293 HydrophobicContact CD1-CB 3.99Å; L284-V293 HydrophobicContact CD1-CG1 3.47Å; L284-V293 VanDerWaalsContact CD1-CG1 3.47Å; L284-V293 HydrophobicContact CD2-CG1 4.2Å; L284-V293 HydrophobicContact CG-CG1 3.8Å; V293-V295 HydrophobicContact CG1-CG1 4.47Å; V293-V295 HydrophobicContact CG2-CG1 3.88Å; V293-L312 HydrophobicContact CG2-CD1 4.34Å; V293-F315 HydrophobicContact CG2-CD1 3.56Å; V293-F315 HydrophobicContact CG2-CE1 3.42Å; V293-F315 VanDerWaalsContact CG2-CE1 3.42Å; V293-F315 HydrophobicContact CG2-CZ 4.42Å; V293-L326 VanDerWaalsContact CA-O 3.31Å; V293-L326 WeakPolarHBondContact CA-O 3.46Å; V293-L326 HydrophobicContact CB-CB 3.92Å; V293-L326 HydrophobicContact CG2-CB 3.72Å; V293-L326 WeakPolarHBondContact CG2-O 3.39Å
294L90.4Very high89.3Confident39 Ų3958.1 Ų58.120%0.20429%0.292CS..EExtended strand (participates in β ladder)trans-96.5119.8173.7-170.969.4000109.2K276 N279 L281 L326 S328K276-L294 HydrophobicContact CD-CD1 4.35Å; N279-L294 HydrophobicContact CB-CD1 3.71Å; N279-L294 HydrophobicContact CB-CG 4.19Å; L281-L294 HydrophobicContact CB-CD1 4.42Å; L281-L294 HydrophobicContact CD1-CB 4.34Å; L281-L294 HydrophobicContact CD1-CD1 4.13Å; L294-L326 PolarHBondContact N-O 2.93Å; L294-S328 PolarHBondContact O-N 3.23Å; L294-S328 PolarHBondContact O-OG 3.33Å
295V89.6Confident89.2Confident1 Ų165.1 Ų65.11%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-121.5152.7179.9-56.30000111.9N279 V280 F282 V293 T301 F315 I334N279-V295 CarbonylContact C-O 3.4Å; N279-V295 WeakPolarHBondContact CA-O 3.29Å; N279-V295 VanDerWaalsContact CB-O 3.24Å; N279-V295 WeakPolarHBondContact CB-O 3.44Å; V280-V295 HydrophobicContact CB-CG2 3.86Å; V280-V295 PolarHBondContact N-O 2.73Å; V280-V295 WeakPolarHBondContact O-CG2 3.36Å; V280-V295 PolarHBondContact O-N 2.98Å; F282-V295 HydrophobicContact CD2-CG1 4.18Å; F282-V295 HydrophobicContact CD2-CG2 3.86Å; F282-V295 HydrophobicContact CE2-CG1 4.3Å; F282-V295 HydrophobicContact CE2-CG2 3.43Å; F282-V295 VanDerWaalsContact CE2-CG2 3.43Å; F282-V295 HydrophobicContact CZ-CG2 4.34Å; V293-V295 HydrophobicContact CG1-CG1 4.47Å; V293-V295 HydrophobicContact CG2-CG1 3.88Å; V295-T301 HydrophobicContact CG2-CG2 4.01Å; V295-F315 HydrophobicContact CG1-CE1 3.8Å; V295-F315 HydrophobicContact CG1-CZ 3.9Å; V295-I334 HydrophobicContact CG1-CD1 3.84Å
296V85.4Confident89.3Confident89 Ų8970.9 Ų70.954%0.53935%0.346SS..EExtended strand (participates in β ladder)trans-68.5138.9169.7-178.20000109.8
297R84.2Confident89.2Confident103 Ų10370.8 Ų70.839%0.38936%0.355SS..  trans-69.6129178.7-165.3-177.4-155.7-14310.3110.8E275 K278 V280 M302E275-R297 IonicContact OE2-CZ 2.74Å; E275-R297 IonicContact OE2-NE 2.95Å; E275-R297 IonicContact OE2-NH2 2.84Å; E275-R297 PolarHBondContact OE2-NH2 3.45Å; K278-R297 WeakPolarHBondContact O-CB 3.24Å; K278-R297 PolarHBondContact O-N 3.01Å; K278-R297 VanDerWaalsContact O-N 3.17Å; V280-R297 HydrophobicContact CG2-CB 4.32Å; V280-R297 HydrophobicContact CG2-CG 4.11Å; R297-M302 HydrophobicContact CG-CG 3.67Å; R297-M302 HydrophobicContact CG-SD 3.89Å; R297-M302 VanDerWaalsContact CZ-CE 3.4Å; R297-M302 PolarHBondContact NE-SD 2.81Å
298N82.3Confident89.3Confident72 Ų7262.3 Ų62.339%0.38532%0.318SS..  trans-147.5176.4170.467.120.7000110.3D300 T301 M302N298-D300 PolarHBondContact O-N 3.44Å; N298-D300 PolarHBondContact OD1-N 3.21Å; N298-T301 PolarHBondContact N-OG1 2.86Å; N298-T301 PolarHBondContact O-N 2.87Å; N298-T301 PolarHBondContact O-OG1 2.83Å; N298-T301 WeakPolarHBondContact OD1-CB 3.19Å; N298-T301 VanDerWaalsContact OD1-CG2 3.27Å; N298-T301 WeakPolarHBondContact OD1-CG2 3.41Å; N298-T301 PolarHBondContact OD1-N 3.47Å; N298-T301 PolarHBondContact OD1-OG1 2.99Å; N298-M302 WeakPolarHBondContact O-CB 3.32Å; N298-M302 VanDerWaalsContact O-CG 3.31Å; N298-M302 WeakPolarHBondContact O-CG 3.41Å; N298-M302 PolarHBondContact O-N 2.7Å
299E79.8Confident89.4Confident150 Ų15064.8 Ų64.870%0.70133%0.325SS*.Hα-helixtrans-57.1-46.3-176.6-169.3175.6179.600112.9M302 Q303E299-M302 PolarHBondContact O-N 3.14Å; E299-Q303 WeakPolarHBondContact O-CG 3.45Å; E299-Q303 PolarHBondContact O-N 2.97Å
300D79.4Confident89.5Confident91 Ų9163.6 Ų63.649%0.48731%0.313SS..Hα-helixtrans-63.4-46-180-73.1-21000112.5N298 M302 Q303 V336N298-D300 PolarHBondContact O-N 3.44Å; N298-D300 PolarHBondContact OD1-N 3.21Å; D300-M302 VanDerWaalsContact C-N 3.34Å; D300-M302 PolarHBondContact O-N 2.94Å; D300-Q303 PolarHBondContact O-N 3.27Å; D300-V336 WeakPolarHBondContact O-CG2 3.36Å
301T83.4Confident89.7Confident0 Ų062.2 Ų62.20%030%0.303CS..Hα-helixtrans-68.8-32.8-177.851.90000112.2F282 V295 N298 Q303 C304 I334F282-T301 HydrophobicContact CE2-CG2 4.23Å; F282-T301 HydrophobicContact CZ-CG2 4.39Å; V295-T301 HydrophobicContact CG2-CG2 4.01Å; N298-T301 PolarHBondContact N-OG1 2.86Å; N298-T301 PolarHBondContact O-N 2.87Å; N298-T301 PolarHBondContact O-OG1 2.83Å; N298-T301 WeakPolarHBondContact OD1-CB 3.19Å; N298-T301 VanDerWaalsContact OD1-CG2 3.27Å; N298-T301 WeakPolarHBondContact OD1-CG2 3.41Å; N298-T301 PolarHBondContact OD1-N 3.47Å; N298-T301 PolarHBondContact OD1-OG1 2.99Å; T301-Q303 VanDerWaalsContact C-N 3.27Å; T301-Q303 PolarHBondContact O-N 3.2Å; T301-C304 VanDerWaalsContact O-CB 3.31Å; T301-C304 WeakPolarHBondContact O-CB 3.5Å; T301-C304 PolarHBondContact O-N 3.31Å; T301-I334 HydrophobicContact CG2-CD1 4.19Å; T301-I334 HydrophobicContact CG2-CG2 3.62Å
302M83.5Confident89.8Confident83 Ų8361.8 Ų61.841%0.40930%0.301SS..Hα-helixtrans-67-27.3174.9-76.9-168.663.700113.3R297 N298 E299 D300 C304R297-M302 HydrophobicContact CG-CG 3.67Å; R297-M302 HydrophobicContact CG-SD 3.89Å; R297-M302 VanDerWaalsContact CZ-CE 3.4Å; R297-M302 PolarHBondContact NE-SD 2.81Å; N298-M302 WeakPolarHBondContact O-CB 3.32Å; N298-M302 VanDerWaalsContact O-CG 3.31Å; N298-M302 WeakPolarHBondContact O-CG 3.41Å; N298-M302 PolarHBondContact O-N 2.7Å; E299-M302 PolarHBondContact O-N 3.14Å; D300-M302 VanDerWaalsContact C-N 3.34Å; D300-M302 PolarHBondContact O-N 2.94Å; M302-C304 VanDerWaalsContact C-N 3.32Å
303Q85.8Confident89.9Confident99 Ų9961 Ų6146%0.46330%0.299SS..THydrogen-bonded Turntrans-81.2-15.9179-66.817924.200112.5E299 D300 T301 K338E299-Q303 WeakPolarHBondContact O-CG 3.45Å; E299-Q303 PolarHBondContact O-N 2.97Å; D300-Q303 PolarHBondContact O-N 3.27Å; T301-Q303 VanDerWaalsContact C-N 3.27Å; T301-Q303 PolarHBondContact O-N 3.2Å; Q303-K338 PolarHBondContact O-NZ 3.28Å
304C91.7Very high90Very high7 Ų761.2 Ų61.25%0.04730%0.3CS..  trans-61.9137.4-175.5-164.30000112.1F282 T301 M302 V336F282-C304 HydrophobicContact CE1-CB 3.68Å; F282-C304 HydrophobicContact CZ-CB 3.82Å; T301-C304 VanDerWaalsContact O-CB 3.31Å; T301-C304 WeakPolarHBondContact O-CB 3.5Å; T301-C304 PolarHBondContact O-N 3.31Å; M302-C304 VanDerWaalsContact C-N 3.32Å; C304-V336 HydrophobicContact CB-CG1 3.88Å; C304-V336 HydrophobicContact CB-CG2 3.9Å
305K93.4Very high90.2Very high146 Ų14659.4 Ų59.464%0.63529%0.29SS*.  trans-125.2164.7179.7-59.8-175.9-177.5-175.40111G307 D308K305-G307 PolarHBondContact O-N 3.44Å; K305-D308 PolarHBondContact N-OD2 3.43Å; K305-D308 VanDerWaalsContact O-CB 3.24Å; K305-D308 WeakPolarHBondContact O-CB 3.42Å; K305-D308 PolarHBondContact O-N 3Å; K305-D308 VanDerWaalsContact O-N 3.11Å
306E94.9Very high90.4Very high146 Ų14661.4 Ų61.468%0.68230%0.303SS*.THydrogen-bonded Turntrans-53.1137.5166.8174.9172179.300110.8Q271 D308Q271-E306 WeakPolarHBondContact O-CG 3.45Å; E306-D308 VanDerWaalsContact C-N 3.28Å; E306-D308 PolarHBondContact O-N 3.46Å
307G93.6Very high90.7Very high37 Ų3757.5 Ų57.538%0.38128%0.279SS..THydrogen-bonded Turntrans85.4-18.6-174.800000114.9V270 K305V270-G307 PolarHBondContact O-N 2.85Å; K305-G307 PolarHBondContact O-N 3.44Å
308D95.9Very high90.9Very high10 Ų1053.8 Ų53.85%0.05327%0.269CS..  trans-63.8163.5171.4-72.2-20000110.5V270 K305 E306 V336 K338 A339V270-D308 WeakPolarHBondContact CB-O 3.17Å; V270-D308 PolarHBondContact N-O 2.94Å; K305-D308 PolarHBondContact N-OD2 3.43Å; K305-D308 VanDerWaalsContact O-CB 3.24Å; K305-D308 WeakPolarHBondContact O-CB 3.42Å; K305-D308 PolarHBondContact O-N 3Å; K305-D308 VanDerWaalsContact O-N 3.11Å; E306-D308 VanDerWaalsContact C-N 3.28Å; E306-D308 PolarHBondContact O-N 3.46Å; D308-V336 HydrophobicContact CB-CG1 4.44Å; D308-K338 VanDerWaalsContact OD1-CA 3.32Å; D308-K338 WeakPolarHBondContact OD1-CA 3.47Å; D308-K338 WeakPolarHBondContact OD2-CD 3.33Å; D308-K338 IonicContact OD2-NZ 2.8Å; D308-K338 PolarHBondContact OD2-NZ 2.92Å; D308-A339 PolarHBondContact OD1-N 3.4Å
309K96.3Very high91Very high94 Ų9456.4 Ų56.441%0.40928%0.277SS..EExtended strand (participates in β ladder)trans-111.1146.1172.3-62178.4-177.6173.70110.6L267 F268 V269 I337L267-K309 HydrophobicContact CD1-CB 3.76Å; L267-K309 HydrophobicContact CD2-CD 4.1Å; L267-K309 HydrophobicContact CG-CB 4.25Å; L267-K309 HydrophobicContact CG-CD 4.29Å; F268-K309 CarbonylContact O-C 3.52Å; F268-K309 WeakPolarHBondContact O-CA 3.35Å; F268-K309 WeakPolarHBondContact O-CB 3.31Å; V269-K309 HydrophobicContact CG2-CG 4.13Å; K309-I337 HydrophobicContact CB-CB 4.27Å; K309-I337 PolarHBondContact N-O 2.97Å; K309-I337 WeakPolarHBondContact O-CA 3.37Å; K309-I337 PolarHBondContact O-N 2.62Å
310V95.8Very high90.9Very high0 Ų053.4 Ų53.40%027%0.265CS..EExtended strand (participates in β ladder)trans-117.9128173.9-67.90000110.6L267 F268 V270 L284 L312 I334 K335 V336L267-V310 WeakPolarHBondContact CA-O 3.31Å; F268-V310 HydrophobicContact CB-CG2 4.46Å; F268-V310 PolarHBondContact N-O 3.49Å; F268-V310 PolarHBondContact O-N 3.31Å; V270-V310 HydrophobicContact CG2-CB 4.33Å; V270-V310 HydrophobicContact CG2-CG1 3.6Å; V270-V310 HydrophobicContact CG2-CG2 3.92Å; L284-V310 HydrophobicContact CD1-CG2 4.39Å; L284-V310 HydrophobicContact CD2-CG2 3.53Å; V310-L312 HydrophobicContact CB-CD2 4.34Å; V310-L312 HydrophobicContact CG2-CD2 4.09Å; V310-L312 HydrophobicContact CG2-CG 4.45Å; V310-I334 HydrophobicContact CB-CD1 4.05Å; V310-I334 HydrophobicContact CB-CG1 4.24Å; V310-I334 HydrophobicContact CG1-CD1 3.99Å; V310-I334 HydrophobicContact CG1-CG1 4.39Å; V310-K335 WeakPolarHBondContact CA-O 3.23Å; V310-V336 HydrophobicContact CG1-CG2 4.27Å
311R95.6Very high90.7Very high89 Ų8952.2 Ų52.234%0.33627%0.274SS..EExtended strand (participates in β ladder)trans-88.6111.8169.4-178.375.465.9-177.4-1.8108.1G266 L267 I334 K335G266-R311 CarbonylContact O-C 3.49Å; G266-R311 WeakPolarHBondContact O-CA 3Å; L267-R311 HydrophobicContact CD1-CB 4.26Å; R311-I334 WeakPolarHBondContact O-CA 3.23Å; R311-K335 HydrophobicContact CB-CB 4.26Å; R311-K335 PolarHBondContact N-O 2.85Å; R311-K335 PolarHBondContact O-N 2.92Å
312L95.9Very high90.2Very high1 Ų161.1 Ų61.11%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-93.4133174.3-55.1-173.3000109.7N265 G266 F268 L284 V293 V310 F315 L326 I334N265-L312 WeakPolarHBondContact CA-O 3.5Å; G266-L312 PolarHBondContact N-O 3.46Å; G266-L312 PolarHBondContact O-N 3.23Å; F268-L312 HydrophobicContact CD2-CD1 3.84Å; F268-L312 HydrophobicContact CD2-CG 4.1Å; F268-L312 HydrophobicContact CE2-CD1 4.04Å; F268-L312 HydrophobicContact CE2-CG 4.46Å; L284-L312 HydrophobicContact CD1-CD1 3.86Å; V293-L312 HydrophobicContact CG2-CD1 4.34Å; V310-L312 HydrophobicContact CB-CD2 4.34Å; V310-L312 HydrophobicContact CG2-CD2 4.09Å; V310-L312 HydrophobicContact CG2-CG 4.45Å; L312-F315 HydrophobicContact CB-CD2 3.63Å; L312-F315 HydrophobicContact CB-CE2 4.05Å; L312-F315 HydrophobicContact CB-CG 4.18Å; L312-F315 HydrophobicContact CD1-CG 4.36Å; L312-F315 HydrophobicContact CD2-CD2 4.12Å; L312-F315 HydrophobicContact CD2-CE1 4.4Å; L312-F315 HydrophobicContact CD2-CE2 3.78Å; L312-F315 HydrophobicContact CD2-CZ 3.93Å; L312-F315 HydrophobicContact CG-CD2 4.29Å; L312-F315 HydrophobicContact CG-CE2 4.43Å; L312-L326 HydrophobicContact CD1-CD1 3.62Å; L312-I334 HydrophobicContact CD2-CB 4.42Å; L312-I334 HydrophobicContact CD2-CD1 3.87Å; L312-I334 HydrophobicContact CD2-CG1 4.04Å
313T96.1Very high90Very high23 Ų2363.8 Ų63.814%0.14133%0.325CS..EExtended strand (participates in β ladder)trans-131.8128.6172.8-46.80000109.6H178 N265 F315 S332 I333H178-T313 HydrophobicContact CB-CG2 4.33Å; H178-T313 VanDerWaalsContact ND1-CG2 3.34Å; H178-T313 WeakPolarHBondContact ND1-CG2 3.17Å; N265-T313 VanDerWaalsContact OD1-CA 3.27Å; N265-T313 WeakPolarHBondContact OD1-CA 3.44Å; T313-F315 PolarHBondContact O-N 3.26Å; T313-S332 CarbonylContact O-C 3.56Å; T313-S332 WeakPolarHBondContact O-CA 3.41Å; T313-I333 PolarHBondContact N-O 3.41Å; T313-I333 PolarHBondContact O-N 3.38Å
314F96.1Very high89.8Confident5 Ų560.3 Ų60.32%0.02231%0.311CS..EExtended strand (participates in β ladder)trans56.541.3-178.6-94.4-81000114.2H178 F189 K191 F218 I263 N265 S332H178-F314 HydrophobicContact CB-CD2 4.12Å; H178-F314 HydrophobicContact CB-CE2 4.08Å; H178-F314 AromaticContact CD2-CD2 3.27Å; H178-F314 WeakPolarHBondContact CD2-CD2 3.17Å; H178-F314 AromaticContact CD2-CE2 3.51Å; H178-F314 AromaticContact CE1-CD2 3.76Å; H178-F314 AromaticContact CG-CD2 3.46Å; H178-F314 VanDerWaalsContact CG-CD2 3.46Å; H178-F314 AromaticContact CG-CE2 3.8Å; H178-F314 AromaticContact ND1-CD2 3.75Å; H178-F314 AromaticContact NE2-CD2 3.49Å; H178-F314 WeakPolarHBondContact NE2-CD2 3.46Å; H178-F314 AromaticContact NE2-CG 3.88Å; F189-F314 HydrophobicContact CB-CE1 4.29Å; F189-F314 HydrophobicContact CB-CE2 3.96Å; F189-F314 HydrophobicContact CB-CZ 3.57Å; K191-F314 HydrophobicContact CD-CD1 4.38Å; K191-F314 HydrophobicContact CD-CE1 4.13Å; K191-F314 HydrophobicContact CG-CD1 4.23Å; K191-F314 HydrophobicContact CG-CE1 3.7Å; K191-F314 HydrophobicContact CG-CE2 4.1Å; K191-F314 HydrophobicContact CG-CZ 3.6Å; F218-F314 HydrophobicContact CB-CE1 3.61Å; F218-F314 HydrophobicContact CB-CZ 3.83Å; F218-F314 HydrophobicContact CD1-CE1 4.15Å; F218-F314 HydrophobicContact CD2-CE1 4.02Å; F218-F314 HydrophobicContact CD2-CZ 4.44Å; F218-F314 AromaticContact CG-CE1 3.67Å; F218-F314 HydrophobicContact CG-CE1 3.67Å; F218-F314 HydrophobicContact CG-CZ 4.25Å; I263-F314 HydrophobicContact CD1-CD1 4.14Å; I263-F314 HydrophobicContact CD1-CE1 4.46Å; I263-F314 HydrophobicContact CG1-CD1 4.39Å; I263-F314 HydrophobicContact CG1-CE1 4.32Å; I263-F314 HydrophobicContact CG2-CD1 3.72Å; I263-F314 HydrophobicContact CG2-CE1 3.97Å; I263-F314 HydrophobicContact CG2-CG 4.25Å; N265-F314 PolarHBondContact OD1-N 3.04Å; F314-S332 PolarHBondContact O-OG 3.35Å
315F95.3Very high89.8Confident1 Ų160.9 Ų60.90%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-83.2150.4169.5-83.6-103.4000110.6I263 V264 V293 V295 L312 T313 L326 I334I263-F315 CarbonylContact C-O 3.41Å; I263-F315 WeakPolarHBondContact CA-O 3.22Å; V264-F315 PolarHBondContact N-O 3.06Å; V264-F315 PolarHBondContact O-N 3.34Å; V293-F315 HydrophobicContact CG2-CD1 3.56Å; V293-F315 HydrophobicContact CG2-CE1 3.42Å; V293-F315 VanDerWaalsContact CG2-CE1 3.42Å; V293-F315 HydrophobicContact CG2-CZ 4.42Å; V295-F315 HydrophobicContact CG1-CE1 3.8Å; V295-F315 HydrophobicContact CG1-CZ 3.9Å; L312-F315 HydrophobicContact CB-CD2 3.63Å; L312-F315 HydrophobicContact CB-CE2 4.05Å; L312-F315 HydrophobicContact CB-CG 4.18Å; L312-F315 HydrophobicContact CD1-CG 4.36Å; L312-F315 HydrophobicContact CD2-CD2 4.12Å; L312-F315 HydrophobicContact CD2-CE1 4.4Å; L312-F315 HydrophobicContact CD2-CE2 3.78Å; L312-F315 HydrophobicContact CD2-CZ 3.93Å; L312-F315 HydrophobicContact CG-CD2 4.29Å; L312-F315 HydrophobicContact CG-CE2 4.43Å; T313-F315 PolarHBondContact O-N 3.26Å; F315-L326 HydrophobicContact CB-CB 4.47Å; F315-L326 HydrophobicContact CD1-CB 4.32Å; F315-I334 HydrophobicContact CE2-CB 4.31Å; F315-I334 HydrophobicContact CZ-CB 4.17Å
316T93Very high89.8Confident44 Ų4454 Ų5427%0.2728%0.283SS..EExtended strand (participates in β ladder)trans-108.1133-178.6-56.10000110.1S318 L326 T327T316-S318 PolarHBondContact O-N 3.23Å; T316-L326 WeakPolarHBondContact O-CA 3.39Å; T316-T327 PolarHBondContact N-O 2.93Å; T316-T327 VanDerWaalsContact N-O 3.09Å; T316-T327 PolarHBondContact O-N 3.35Å
317L92.4Very high89.6Confident6 Ų649 Ų493%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-70.8121.7170.2-175.566.9000110.2L255 Q258 G261 T262 V264 P324 L326L255-L317 WeakPolarHBondContact O-CD2 3Å; Q258-L317 HydrophobicContact CB-CD2 3.68Å; G261-L317 PolarHBondContact N-O 3.46Å; T262-L317 PolarHBondContact O-N 2.67Å; V264-L317 HydrophobicContact CG2-CB 4.3Å; L317-P324 HydrophobicContact CD1-CB 4.29Å; L317-L326 HydrophobicContact CB-CD2 4.2Å; L317-L326 HydrophobicContact CD1-CD2 3.8Å
318S89.3Confident89.4Confident26 Ų2649.1 Ų49.118%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-132.8-171.617865.50000109.7T316 Q325 T327T316-S318 PolarHBondContact O-N 3.23Å; S318-Q325 CarbonylContact C-O 3.55Å; S318-Q325 WeakPolarHBondContact CA-O 3.3Å; S318-Q325 PolarHBondContact N-O 3.28Å; S318-Q325 PolarHBondContact O-N 2.61Å; S318-Q325 PolarHBondContact OG-O 3.34Å; S318-Q325 VanDerWaalsContact OG-O 3.13Å; S318-T327 WeakPolarHBondContact OG-CG2 3.44Å; S318-T327 PolarHBondContact OG-OG1 3.14Å
319K83.3Confident89Confident127 Ų12750.7 Ų50.755%0.55228%0.277SS*.EExtended strand (participates in β ladder)trans-133.1140.7177.1-84.3179.1-179.3-171.20110.3L260 K323L260-K319 HydrophobicContact CD1-CD 4.42Å; L260-K319 HydrophobicContact CD2-CB 4.43Å; L260-K319 HydrophobicContact CD2-CD 3.96Å; L260-K319 HydrophobicContact CD2-CG 3.73Å; K319-K323 WeakPolarHBondContact CA-O 3.48Å
320N77.5Confident88.7Confident87 Ų8750.7 Ų50.747%0.46528%0.284SS..EExtended strand (participates in β ladder)trans-114.291.2168.1-178.426.9000107.8E322 K323 Q325N320-E322 PolarHBondContact O-N 3.48Å; N320-K323 PolarHBondContact N-O 3.43Å; N320-K323 PolarHBondContact O-N 3.41Å; N320-Q325 HydrophobicContact CB-CB 4.16Å
321G75.8Confident88.6Confident65 Ų6552.1 Ų52.167%0.6729%0.291SS*.THydrogen-bonded Turntrans65.9-124.8-165.500000111.1
322E72.9Confident88.5Confident188 Ų18849 Ų4988%0.87928%0.283SS*.THydrogen-bonded Turntrans-85.6-16.4178-63-173.7162.800113.4N320N320-E322 PolarHBondContact O-N 3.48Å
323K79.1Confident88.4Confident138 Ų13851.1 Ų51.160%0.629%0.294SS*.EExtended strand (participates in β ladder)trans-86133.2-175.6-64.6-175.2-178.8-176.40111.2K319 N320K319-K323 WeakPolarHBondContact CA-O 3.48Å; N320-K323 PolarHBondContact N-O 3.43Å; N320-K323 PolarHBondContact O-N 3.41Å
324P81.6Confident88.3Confident27 Ų2751 Ų5118%0.17529%0.292CS..EExtended strand (participates in β ladder)trans-62.8139.4171.532.4-39.8000109.8Q256 L317Q256-P324 HydrophobicContact CG-CB 4.45Å; Q256-P324 HydrophobicContact CG-CG 3.77Å; L317-P324 HydrophobicContact CD1-CB 4.29Å
325Q91.8Very high88.1Confident18 Ų1857.2 Ų57.28%0.08432%0.319CS..EExtended strand (participates in β ladder)trans-136.9149.1176.8-176.1175.175.300109.1E292 S318 N320E292-Q325 HydrophobicContact CB-CG 4.16Å; E292-Q325 CarbonylContact O-C 3.6Å; E292-Q325 WeakPolarHBondContact O-CA 3.46Å; E292-Q325 WeakPolarHBondContact O-CG 3.47Å; E292-Q325 PolarHBondContact OE2-NE2 3.37Å; S318-Q325 CarbonylContact C-O 3.55Å; S318-Q325 WeakPolarHBondContact CA-O 3.3Å; S318-Q325 PolarHBondContact N-O 3.28Å; S318-Q325 PolarHBondContact O-N 2.61Å; S318-Q325 PolarHBondContact OG-O 3.34Å; S318-Q325 VanDerWaalsContact OG-O 3.13Å; N320-Q325 HydrophobicContact CB-CB 4.16Å
326L93.6Very high88Confident1 Ų158.3 Ų58.31%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-99.4136.5166.3-59.3-176.3000109.6V264 M291 E292 V293 L294 L312 F315 T316 L317V264-L326 HydrophobicContact CB-CD1 4.29Å; V264-L326 HydrophobicContact CB-CD2 4.05Å; V264-L326 HydrophobicContact CG1-CD1 3.92Å; V264-L326 HydrophobicContact CG1-CD2 4.36Å; V264-L326 HydrophobicContact CG2-CD2 3.74Å; M291-L326 HydrophobicContact CE-CD1 3.51Å; M291-L326 HydrophobicContact CE-CG 4.38Å; M291-L326 HydrophobicContact SD-CD1 3.8Å; M291-L326 HydrophobicContact SD-CG 4.05Å; E292-L326 PolarHBondContact O-N 2.88Å; V293-L326 VanDerWaalsContact CA-O 3.31Å; V293-L326 WeakPolarHBondContact CA-O 3.46Å; V293-L326 HydrophobicContact CB-CB 3.92Å; V293-L326 HydrophobicContact CG2-CB 3.72Å; V293-L326 WeakPolarHBondContact CG2-O 3.39Å; L294-L326 PolarHBondContact N-O 2.93Å; L312-L326 HydrophobicContact CD1-CD1 3.62Å; F315-L326 HydrophobicContact CB-CB 4.47Å; F315-L326 HydrophobicContact CD1-CB 4.32Å; T316-L326 WeakPolarHBondContact O-CA 3.39Å; L317-L326 HydrophobicContact CB-CD2 4.2Å; L317-L326 HydrophobicContact CD1-CD2 3.8Å
327T90.8Very high88.1Confident43 Ų4359.2 Ų59.226%0.26433%0.328SS..EExtended strand (participates in β ladder)trans-120.4140.5175.447.40000110.7T316 S318T316-T327 PolarHBondContact N-O 2.93Å; T316-T327 VanDerWaalsContact N-O 3.09Å; T316-T327 PolarHBondContact O-N 3.35Å; S318-T327 WeakPolarHBondContact OG-CG2 3.44Å; S318-T327 PolarHBondContact OG-OG1 3.14Å
328S89.9Confident88.1Confident39 Ų3963.8 Ų63.827%0.27335%0.348SS..EExtended strand (participates in β ladder)trans-78.7128.9170.857.50000110.6L294 S332L294-S328 PolarHBondContact O-N 3.23Å; L294-S328 PolarHBondContact O-OG 3.33Å; S328-S332 WeakPolarHBondContact CA-OG 3.4Å
329G87.3Confident88.1Confident43 Ų4365.2 Ų65.244%0.44336%0.361SS..EExtended strand (participates in β ladder)trans-96.3-177.5163.100000112.1H331 S332G329-H331 PolarHBondContact O-N 3.04Å; G329-H331 VanDerWaalsContact O-N 3.15Å; G329-S332 PolarHBondContact N-OG 3.31Å; G329-S332 WeakPolarHBondContact O-CB 3.28Å; G329-S332 PolarHBondContact O-N 3.47Å; G329-S332 PolarHBondContact O-OG 3.1Å
330V89.7Confident88Confident93 Ų9364.1 Ų64.156%0.56437%0.37SS*.EExtended strand (participates in β ladder)trans-59-25.8-179.9-68.60000114.1F167F167-V330 WeakPolarHBondContact CB-O 3.48Å
331H94.1Very high87.3Confident30 Ų3069.4 Ų69.414%0.13939%0.388CS..EExtended strand (participates in β ladder)trans-103.812.9179.6-50.2137.6000112.4F167 M176 H178 K191 F193 G329F167-H331 AromaticContact CD2-CD2 3.65Å; F167-H331 AromaticContact CD2-NE2 3.78Å; F167-H331 AromaticContact CE2-CD2 3.51Å; F167-H331 AromaticContact CE2-NE2 3.21Å; F167-H331 WeakPolarHBondContact CE2-NE2 3.39Å; F167-H331 AromaticContact CZ-CD2 3.86Å; F167-H331 AromaticContact CZ-NE2 3.65Å; M176-H331 HydrophobicContact CE-CB 4.34Å; M176-H331 HydrophobicContact SD-CB 3.75Å; M176-H331 PolarHBondContact SD-CD2 3.33Å; M176-H331 VanDerWaalsContact SD-CG 3.58Å; H178-H331 PolarHBondContact CE1-O 3.08Å; H178-H331 PolarHBondContact NE2-O 2.94Å; K191-H331 HydrophobicContact CD-CB 4.17Å; F193-H331 AromaticContact CE1-CE1 3.63Å; F193-H331 AromaticContact CE1-NE2 3.48Å; F193-H331 WeakPolarHBondContact CE1-NE2 3.42Å; F193-H331 AromaticContact CZ-CE1 3.43Å; F193-H331 VanDerWaalsContact CZ-CE1 3.43Å; F193-H331 WeakPolarHBondContact CZ-CE1 3.19Å; F193-H331 AromaticContact CZ-ND1 3.83Å; F193-H331 AromaticContact CZ-NE2 3.79Å; G329-H331 PolarHBondContact O-N 3.04Å; G329-H331 VanDerWaalsContact O-N 3.15Å
332S94Very high86.3Confident24 Ų2476 Ų7617%0.16840%0.398CS..EExtended strand (participates in β ladder)trans-86.2140.9178.8-560000111.1T313 F314 S328 G329T313-S332 CarbonylContact O-C 3.56Å; T313-S332 WeakPolarHBondContact O-CA 3.41Å; F314-S332 PolarHBondContact O-OG 3.35Å; S328-S332 WeakPolarHBondContact CA-OG 3.4Å; G329-S332 PolarHBondContact N-OG 3.31Å; G329-S332 WeakPolarHBondContact O-CB 3.28Å; G329-S332 PolarHBondContact O-N 3.47Å; G329-S332 PolarHBondContact O-OG 3.1Å
333I93.3Very high84.7Confident46 Ų4677 Ų7724%0.23642%0.418CS..EExtended strand (participates in β ladder)trans-123.1130.1174.3-53.4171.4000109.2F165 T313F165-I333 HydrophobicContact CD1-CD1 3.35Å; F165-I333 HydrophobicContact CD1-CG1 4.28Å; F165-I333 HydrophobicContact CD2-CD1 3.99Å; F165-I333 HydrophobicContact CD2-CG1 4.07Å; F165-I333 HydrophobicContact CE1-CD1 3.35Å; F165-I333 HydrophobicContact CE1-CG1 4.07Å; F165-I333 HydrophobicContact CE2-CD1 3.97Å; F165-I333 HydrophobicContact CE2-CG1 3.83Å; F165-I333 HydrophobicContact CG-CD1 3.69Å; F165-I333 HydrophobicContact CG-CG1 4.29Å; F165-I333 HydrophobicContact CZ-CD1 3.66Å; F165-I333 HydrophobicContact CZ-CG1 3.83Å; T313-I333 PolarHBondContact N-O 3.41Å; T313-I333 PolarHBondContact O-N 3.38Å
334I93Very high84.9Confident21 Ų2174 Ų7411%0.10841%0.409CS..EExtended strand (participates in β ladder)trans-111.3134.1168.4-178.2162.8000109.7F282 V295 T301 V310 R311 L312 F315F282-I334 HydrophobicContact CD2-CD1 4.04Å; F282-I334 HydrophobicContact CE2-CD1 3.64Å; V295-I334 HydrophobicContact CG1-CD1 3.84Å; T301-I334 HydrophobicContact CG2-CD1 4.19Å; T301-I334 HydrophobicContact CG2-CG2 3.62Å; V310-I334 HydrophobicContact CB-CD1 4.05Å; V310-I334 HydrophobicContact CB-CG1 4.24Å; V310-I334 HydrophobicContact CG1-CD1 3.99Å; V310-I334 HydrophobicContact CG1-CG1 4.39Å; R311-I334 WeakPolarHBondContact O-CA 3.23Å; L312-I334 HydrophobicContact CD2-CB 4.42Å; L312-I334 HydrophobicContact CD2-CD1 3.87Å; L312-I334 HydrophobicContact CD2-CG1 4.04Å; F315-I334 HydrophobicContact CE2-CB 4.31Å; F315-I334 HydrophobicContact CZ-CB 4.17Å
335K93Very high85.1Confident134 Ų13476.4 Ų76.458%0.58342%0.421SS*.EExtended strand (participates in β ladder)trans-124.8124169.6179.3175.5-178.5173.90110.1V310 R311V310-K335 WeakPolarHBondContact CA-O 3.23Å; R311-K335 HydrophobicContact CB-CB 4.26Å; R311-K335 PolarHBondContact N-O 2.85Å; R311-K335 PolarHBondContact O-N 2.92Å
336V93.8Very high84.8Confident24 Ų2479.7 Ų79.715%0.14544%0.44CS..EExtended strand (participates in β ladder)trans-80.9137.7175.6-178.60000109.8D300 C304 D308 V310 K338D300-V336 WeakPolarHBondContact O-CG2 3.36Å; C304-V336 HydrophobicContact CB-CG1 3.88Å; C304-V336 HydrophobicContact CB-CG2 3.9Å; D308-V336 HydrophobicContact CB-CG1 4.44Å; V310-V336 HydrophobicContact CG1-CG2 4.27Å; V336-K338 HydrophobicContact CG1-CD 4.35Å
337I94.1Very high84.2Confident63 Ų6384.3 Ų84.332%0.32347%0.465SS..EExtended strand (participates in β ladder)trans-125.6112.2178-53.6-175.7000107.2L267 K309L267-I337 HydrophobicContact CD1-CD1 3.69Å; K309-I337 HydrophobicContact CB-CB 4.27Å; K309-I337 PolarHBondContact N-O 2.97Å; K309-I337 WeakPolarHBondContact O-CA 3.37Å; K309-I337 PolarHBondContact O-N 2.62Å
338K93.1Very high83.8Confident103 Ų10386.9 Ų86.945%0.44848%0.478SS..PPolyproline II helixtrans-64.3137.7-177.1-63-50.1-168.7-169.90112.2Q303 D308 V336 S340Q303-K338 PolarHBondContact O-NZ 3.28Å; D308-K338 VanDerWaalsContact OD1-CA 3.32Å; D308-K338 WeakPolarHBondContact OD1-CA 3.47Å; D308-K338 WeakPolarHBondContact OD2-CD 3.33Å; D308-K338 IonicContact OD2-NZ 2.8Å; D308-K338 PolarHBondContact OD2-NZ 2.92Å; V336-K338 HydrophobicContact CG1-CD 4.35Å; K338-S340 PolarHBondContact O-N 3.27Å
339A88.5Confident83.4Confident55 Ų5590.1 Ų90.146%0.45549%0.491SS..PPolyproline II helixtrans-61.2134.9166.100000109.3D308 K341D308-A339 PolarHBondContact OD1-N 3.4Å; A339-K341 PolarHBondContact O-N 3.44Å
340S80.9Confident83.1Confident105 Ų10593.4 Ų93.473%0.73450%0.495SS*.PPolyproline II helixtrans-63.4124.2169.552.60000108.3K338 K342K338-S340 PolarHBondContact O-N 3.27Å; S340-K342 PolarHBondContact O-N 3.47Å; S340-K342 VanDerWaalsContact O-N 3.08Å
341K64Low82.6Confident197 Ų19793.5 Ų93.586%0.85749%0.49SS*.PPolyproline II helixtrans-59.9116.1165.9-69.9-175.5178.7-178.40106.7A339 T343A339-K341 PolarHBondContact O-N 3.44Å; K341-T343 PolarHBondContact O-N 3.02Å; K341-T343 VanDerWaalsContact O-N 3.08Å
342K54.4Low81.7Confident204 Ų20498.8 Ų98.889%0.88752%0.519SS*.  trans-64.1108.7163.5-78.7-176.9175.4-178.30105.4S340S340-K342 PolarHBondContact O-N 3.47Å; S340-K342 VanDerWaalsContact O-N 3.08Å
343T38.2Very low80.6Confident209 Ų209105.5 Ų105.5100%1.28255%0.551SS**  trans-67.90171.2-14.80000110.2K341K341-T343 PolarHBondContact O-N 3.02Å; K341-T343 VanDerWaalsContact O-N 3.08Å

Retrieved 343 of 343 residues in 150.2 ms (Link to these results)

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