A0A061HUK7_CRIGR Loading...

Splicing factor U2AF subunit

Necessary for the splicing of pre-mRNA.

AlphaFold DB (A0A2J8R3M0), UniProt , Accession A0A061HUK7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 307 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
1M91.1Very high93.5Very high54 Ų5460.3 Ų60.327%0.26630%0.303SS..  0-510-172171.2-83.200111.7D3 F4 F5 V25 I27 A34 L36 F55 L60M1-D3 PolarHBondContact O-N 3.2Å; M1-F4 WeakPolarHBondContact O-CB 3.25Å; M1-F4 PolarHBondContact O-N 3.44Å; M1-F5 HydrophobicContact CG-CD2 3.78Å; M1-F5 HydrophobicContact CG-CE2 3.74Å; M1-F5 WeakPolarHBondContact O-CD2 3.31Å; M1-F5 PolarHBondContact O-N 3.42Å; M1-F5 VanDerWaalsContact O-N 3.09Å; M1-F5 HydrophobicContact SD-CE2 4.35Å; M1-V25 HydrophobicContact CB-CG1 4.23Å; M1-V25 HydrophobicContact CG-CG1 4.19Å; M1-V25 HydrophobicContact SD-CG1 3.99Å; M1-I27 HydrophobicContact CB-CD1 4.43Å; M1-A34 HydrophobicContact CE-CB 4.4Å; M1-A34 HydrophobicContact SD-CB 3.6Å; M1-L36 HydrophobicContact SD-CD1 4.02Å; M1-F55 HydrophobicContact CB-CE1 4.36Å; M1-F55 HydrophobicContact CB-CZ 4.06Å; M1-F55 HydrophobicContact CE-CD1 3.92Å; M1-F55 HydrophobicContact CE-CE1 3.87Å; M1-L60 HydrophobicContact CE-CD1 4.21Å
2M95.1Very high92.9Very high61 Ų6158.3 Ų58.330%0.331%0.309SS..Hα-helixtrans-52.6-56.4177.4-171.7177.7-177.700113.6F4 F5 N6 V22 L23 V25M2-F4 VanDerWaalsContact C-N 3.25Å; M2-F4 PolarHBondContact O-N 3.31Å; M2-F5 PolarHBondContact O-N 2.93Å; M2-N6 PolarHBondContact O-N 3.25Å; M2-N6 PolarHBondContact O-ND2 3.17Å; M2-V22 WeakPolarHBondContact CE-O 3.2Å; M2-V22 HydrophobicContact CG-CB 4.3Å; M2-V22 HydrophobicContact CG-CG1 3.98Å; M2-L23 VanDerWaalsContact CE-O 3.24Å; M2-L23 WeakPolarHBondContact CE-O 3.48Å; M2-V25 HydrophobicContact CB-CB 4.43Å; M2-V25 HydrophobicContact CB-CG2 3.59Å; M2-V25 HydrophobicContact CG-CG2 4.06Å
3D95.3Very high92.5Very high123 Ų12358.5 Ų58.566%0.65833%0.334SS*.Hα-helixtrans-62-35.2-179.4-61.1-42.5000112.8M1 N6 A7M1-D3 PolarHBondContact O-N 3.2Å; D3-N6 PolarHBondContact O-N 3.11Å; D3-A7 VanDerWaalsContact O-CB 3.26Å; D3-A7 WeakPolarHBondContact O-CB 3.44Å; D3-A7 PolarHBondContact O-N 2.99Å
4F95.3Very high92.2Very high45 Ų4555 Ų5520%0.19731%0.313CS..Hα-helixtrans-59.6-53.1175.8170.8-97.8000111.1M1 M2 N6 A7 Q8 I53 I54 F55M1-F4 WeakPolarHBondContact O-CB 3.25Å; M1-F4 PolarHBondContact O-N 3.44Å; M2-F4 VanDerWaalsContact C-N 3.25Å; M2-F4 PolarHBondContact O-N 3.31Å; F4-N6 PolarHBondContact O-N 3.04Å; F4-A7 PolarHBondContact O-N 3.48Å; F4-Q8 HydrophobicContact CD2-CG 4.31Å; F4-Q8 HydrophobicContact CE1-CG 4.22Å; F4-Q8 HydrophobicContact CE2-CG 4.02Å; F4-Q8 HydrophobicContact CZ-CG 3.98Å; F4-Q8 WeakPolarHBondContact O-CB 3.34Å; F4-Q8 VanDerWaalsContact O-CG 3.25Å; F4-Q8 WeakPolarHBondContact O-CG 3.46Å; F4-Q8 PolarHBondContact O-N 3.34Å; F4-I53 HydrophobicContact CE1-CD1 3.91Å; F4-I53 HydrophobicContact CE1-CG1 4.4Å; F4-I53 HydrophobicContact CE1-CG2 4.06Å; F4-I53 HydrophobicContact CZ-CD1 3.54Å; F4-I53 HydrophobicContact CZ-CG1 3.9Å; F4-I53 HydrophobicContact CZ-CG2 4.33Å; F4-I54 WeakPolarHBondContact CZ-O 3.35Å; F4-F55 HydrophobicContact CB-CD2 4Å; F4-F55 HydrophobicContact CB-CE2 3.76Å; F4-F55 AromaticContact CD1-CD2 3.53Å; F4-F55 HydrophobicContact CD1-CD2 3.53Å; F4-F55 HydrophobicContact CD1-CE2 4.13Å; F4-F55 HydrophobicContact CD1-CG 4.31Å; F4-F55 AromaticContact CD2-CD2 3.78Å; F4-F55 HydrophobicContact CD2-CD2 3.78Å; F4-F55 HydrophobicContact CD2-CE2 4.24Å; F4-F55 HydrophobicContact CE1-CB 4.06Å; F4-F55 AromaticContact CE1-CD2 3.84Å; F4-F55 HydrophobicContact CE1-CD2 3.84Å; F4-F55 HydrophobicContact CE1-CG 4.32Å; F4-F55 HydrophobicContact CE2-CD2 4.06Å; F4-F55 AromaticContact CG-CD2 3.48Å; F4-F55 HydrophobicContact CG-CD2 3.48Å; F4-F55 VanDerWaalsContact CG-CD2 3.48Å; F4-F55 AromaticContact CG-CE2 3.79Å; F4-F55 HydrophobicContact CG-CE2 3.79Å; F4-F55 HydrophobicContact CZ-CB 4.17Å; F4-F55 HydrophobicContact CZ-CD2 4.08Å
5F95.4Very high92.1Very high5 Ų554.3 Ų54.32%0.02231%0.311CS..Hα-helixtrans-65.6-39.4178.7-83.3-80.9000112.5M1 M2 A7 Q8 M9 V22 L36 F50 L60 I62M1-F5 HydrophobicContact CG-CD2 3.78Å; M1-F5 HydrophobicContact CG-CE2 3.74Å; M1-F5 WeakPolarHBondContact O-CD2 3.31Å; M1-F5 PolarHBondContact O-N 3.42Å; M1-F5 VanDerWaalsContact O-N 3.09Å; M1-F5 HydrophobicContact SD-CE2 4.35Å; M2-F5 PolarHBondContact O-N 2.93Å; F5-A7 VanDerWaalsContact C-N 3.33Å; F5-A7 PolarHBondContact O-N 3.35Å; F5-Q8 PolarHBondContact O-N 3.34Å; F5-M9 WeakPolarHBondContact O-CB 3.5Å; F5-M9 WeakPolarHBondContact O-CG 3.43Å; F5-M9 PolarHBondContact O-N 2.91Å; F5-V22 HydrophobicContact CB-CG2 3.83Å; F5-L36 HydrophobicContact CB-CD2 4.26Å; F5-L36 HydrophobicContact CD1-CD2 4.07Å; F5-L36 HydrophobicContact CD2-CD2 3.42Å; F5-L36 VanDerWaalsContact CD2-CD2 3.42Å; F5-L36 HydrophobicContact CE1-CD2 4.26Å; F5-L36 HydrophobicContact CE2-CD2 3.64Å; F5-L36 HydrophobicContact CG-CD2 3.64Å; F5-L36 HydrophobicContact CZ-CD2 4.05Å; F5-F50 HydrophobicContact CD1-CD2 4.4Å; F5-F50 HydrophobicContact CE1-CB 4.27Å; F5-L60 HydrophobicContact CE2-CD1 3.92Å; F5-L60 HydrophobicContact CZ-CD1 3.78Å; F5-I62 HydrophobicContact CE1-CD1 3.52Å; F5-I62 HydrophobicContact CZ-CD1 3.71Å
6N95.5Very high91.8Very high3 Ų358.4 Ų58.42%0.01633%0.326CS..Hα-helixtrans-60.7-42174.9-76.9-34.4000112.1M2 D3 F4 R10 P21 V22M2-N6 PolarHBondContact O-N 3.25Å; M2-N6 PolarHBondContact O-ND2 3.17Å; D3-N6 PolarHBondContact O-N 3.11Å; F4-N6 PolarHBondContact O-N 3.04Å; N6-R10 VanDerWaalsContact O-CG 3.31Å; N6-R10 WeakPolarHBondContact O-CG 3.32Å; N6-R10 PolarHBondContact O-N 3.03Å; N6-P21 WeakPolarHBondContact OD1-CD 3.39Å; N6-P21 WeakPolarHBondContact OD1-CG 3.49Å; N6-V22 VanDerWaalsContact OD1-CB 3.31Å; N6-V22 WeakPolarHBondContact OD1-CB 3.28Å; N6-V22 WeakPolarHBondContact OD1-CG2 3.47Å; N6-V22 PolarHBondContact OD1-N 3.34Å
7A94Very high91.7Very high46 Ų4657.8 Ų57.838%0.3833%0.33SS..Hα-helixtrans-66.4-47.5176.400000111.7D3 F4 F5 M9 R10 L11D3-A7 VanDerWaalsContact O-CB 3.26Å; D3-A7 WeakPolarHBondContact O-CB 3.44Å; D3-A7 PolarHBondContact O-N 2.99Å; F4-A7 PolarHBondContact O-N 3.48Å; F5-A7 VanDerWaalsContact C-N 3.33Å; F5-A7 PolarHBondContact O-N 3.35Å; A7-M9 PolarHBondContact O-N 2.87Å; A7-R10 PolarHBondContact O-N 2.81Å; A7-L11 WeakPolarHBondContact O-CG 3.38Å; A7-L11 PolarHBondContact O-N 3.34Å
8Q93.1Very high91.6Very high56 Ų5661.7 Ų61.726%0.26236%0.358SS..Hα-helixtrans-60.9-43.8178.9-69.3-63.1-33.300112F4 F5 R10 L11 G12 F50 I53F4-Q8 HydrophobicContact CD2-CG 4.31Å; F4-Q8 HydrophobicContact CE1-CG 4.22Å; F4-Q8 HydrophobicContact CE2-CG 4.02Å; F4-Q8 HydrophobicContact CZ-CG 3.98Å; F4-Q8 WeakPolarHBondContact O-CB 3.34Å; F4-Q8 VanDerWaalsContact O-CG 3.25Å; F4-Q8 WeakPolarHBondContact O-CG 3.46Å; F4-Q8 PolarHBondContact O-N 3.34Å; F5-Q8 PolarHBondContact O-N 3.34Å; Q8-R10 VanDerWaalsContact C-N 3.33Å; Q8-R10 PolarHBondContact O-N 2.71Å; Q8-L11 PolarHBondContact O-N 2.61Å; Q8-G12 PolarHBondContact O-N 3.42Å; Q8-F50 HydrophobicContact CB-CE1 3.99Å; Q8-F50 HydrophobicContact CB-CE2 4.16Å; Q8-F50 HydrophobicContact CB-CZ 3.76Å; Q8-F50 WeakPolarHBondContact O-CZ 3.3Å; Q8-I53 HydrophobicContact CB-CD1 4.37Å; Q8-I53 HydrophobicContact CG-CD1 3.75Å
9M92.9Very high91.6Very high0 Ų060.6 Ų60.60%036%0.361CS..Hα-helixtrans-62.4-38.5176.1-76.2-168.187.800113.2F5 A7 G13 L14 T15 P21 F38 E43 A47 F50F5-M9 WeakPolarHBondContact O-CB 3.5Å; F5-M9 WeakPolarHBondContact O-CG 3.43Å; F5-M9 PolarHBondContact O-N 2.91Å; A7-M9 PolarHBondContact O-N 2.87Å; M9-G13 PolarHBondContact O-N 3.23Å; M9-L14 HydrophobicContact CB-CB 4.43Å; M9-L14 HydrophobicContact CE-CB 4.06Å; M9-L14 WeakPolarHBondContact CE-O 3.25Å; M9-L14 PolarHBondContact O-N 3.23Å; M9-T15 HydrophobicContact CB-CG2 3.95Å; M9-P21 HydrophobicContact CB-CG 3.99Å; M9-P21 HydrophobicContact CE-CB 4.22Å; M9-P21 HydrophobicContact CE-CG 4.35Å; M9-P21 HydrophobicContact CG-CG 4.29Å; M9-P21 HydrophobicContact SD-CB 3.71Å; M9-P21 HydrophobicContact SD-CG 3.4Å; M9-P21 WeakPolarHBondContact SD-CG 3.35Å; M9-F38 HydrophobicContact CE-CE1 4.36Å; M9-F38 HydrophobicContact SD-CD1 4.02Å; M9-F38 HydrophobicContact SD-CE1 3.51Å; M9-F38 VanDerWaalsContact SD-CE1 3.51Å; M9-E43 HydrophobicContact CE-CB 3.88Å; M9-E43 HydrophobicContact CE-CG 4.26Å; M9-E43 WeakPolarHBondContact CE-O 3.47Å; M9-A47 HydrophobicContact CE-CB 4.19Å; M9-A47 HydrophobicContact SD-CB 4.2Å; M9-F50 HydrophobicContact CG-CE2 3.67Å; M9-F50 HydrophobicContact CG-CZ 4.47Å
10R91.4Very high91.7Very high127 Ų12760.8 Ų60.848%0.47936%0.36SS..Hα-helixtrans-67.9-46.5176.5-75.3174.3177.9175.62.7111.7N6 A7 Q8 G12 G13 T15 G19 N20N6-R10 VanDerWaalsContact O-CG 3.31Å; N6-R10 WeakPolarHBondContact O-CG 3.32Å; N6-R10 PolarHBondContact O-N 3.03Å; A7-R10 PolarHBondContact O-N 2.81Å; Q8-R10 VanDerWaalsContact C-N 3.33Å; Q8-R10 PolarHBondContact O-N 2.71Å; R10-G12 VanDerWaalsContact C-N 3.29Å; R10-G12 PolarHBondContact O-N 3.08Å; R10-G13 PolarHBondContact O-N 3.15Å; R10-G13 VanDerWaalsContact O-N 3.12Å; R10-T15 HydrophobicContact CG-CG2 3.94Å; R10-G19 VanDerWaalsContact NH2-C 3.25Å; R10-G19 PolarHBondContact NH2-O 3.37Å; R10-N20 PolarHBondContact NH2-OD1 2.77Å
11L89.8Confident91.9Very high143 Ų14357.9 Ų57.975%0.74934%0.343SS*.Hα-helixtrans-61.4-39.7178-72.4170.7000111.6A7 Q8 G13A7-L11 WeakPolarHBondContact O-CG 3.38Å; A7-L11 PolarHBondContact O-N 3.34Å; Q8-L11 PolarHBondContact O-N 2.61Å; L11-G13 PolarHBondContact O-N 2.89Å
12G85.7Confident92.1Very high37 Ų3755.3 Ų55.338%0.38133%0.331SS..THydrogen-bonded Turntrans-77.8-0.5176.600000115Q8 R10 L14Q8-G12 PolarHBondContact O-N 3.42Å; R10-G12 VanDerWaalsContact C-N 3.29Å; R10-G12 PolarHBondContact O-N 3.08Å; G12-L14 WeakPolarHBondContact O-CD2 3.42Å; G12-L14 WeakPolarHBondContact O-CG 3.22Å; G12-L14 PolarHBondContact O-N 3.35Å
13G88.6Confident92.2Very high61 Ų6156.9 Ų56.963%0.62934%0.34SS*.THydrogen-bonded Turntrans62.925.5-176.200000113.8M9 R10 L11M9-G13 PolarHBondContact O-N 3.23Å; R10-G13 PolarHBondContact O-N 3.15Å; R10-G13 VanDerWaalsContact O-N 3.12Å; L11-G13 PolarHBondContact O-N 2.89Å
14L88.3Confident92.2Very high9 Ų952.5 Ų52.55%0.04732%0.32CS..  trans-92.33.5-173.6-56.6-176.4000113.2M9 G12 Q46 F50 V80M9-L14 HydrophobicContact CB-CB 4.43Å; M9-L14 HydrophobicContact CE-CB 4.06Å; M9-L14 WeakPolarHBondContact CE-O 3.25Å; M9-L14 PolarHBondContact O-N 3.23Å; G12-L14 WeakPolarHBondContact O-CD2 3.42Å; G12-L14 WeakPolarHBondContact O-CG 3.22Å; G12-L14 PolarHBondContact O-N 3.35Å; L14-Q46 HydrophobicContact CB-CB 4.07Å; L14-Q46 HydrophobicContact CD1-CB 4.45Å; L14-Q46 HydrophobicContact CD2-CB 4.39Å; L14-F50 HydrophobicContact CD1-CE1 4.37Å; L14-F50 HydrophobicContact CD1-CE2 3.65Å; L14-F50 HydrophobicContact CD1-CZ 3.53Å; L14-V80 HydrophobicContact CD2-CB 3.95Å; L14-V80 HydrophobicContact CD2-CG1 4.12Å; L14-V80 HydrophobicContact CD2-CG2 3.83Å
15T90.4Very high92.3Very high45 Ų4552.1 Ų52.128%0.27632%0.322SS..  trans-89.7134.7177.4590000111.2M9 R10 P21 E43M9-T15 HydrophobicContact CB-CG2 3.95Å; R10-T15 HydrophobicContact CG-CG2 3.94Å; T15-P21 HydrophobicContact CG2-CB 4.47Å; T15-P21 HydrophobicContact CG2-CG 3.92Å; T15-E43 WeakPolarHBondContact CA-OE1 3.37Å
16Q87.6Confident92.3Very high120 Ų12058 Ų5856%0.56135%0.35SS*.SBendtrans-94.5-15.6-178.8-67.2-166.5-13.600114.5D42 E43Q16-D42 VanDerWaalsContact NE2-CB 3.33Å; Q16-E43 HydrophobicContact CB-CG 4.33Å; Q16-E43 HydrophobicContact CG-CG 4.11Å; Q16-E43 PolarHBondContact N-OE1 3.11Å
17A89.9Confident92.2Very high47 Ų4762.7 Ų62.739%0.38837%0.374SS..SBendtrans-144.9163.2-179.200000111.9R39A17-R39 PolarHBondContact O-NH2 3.47Å
18P89.7Confident92.2Very high129 Ų12962.9 Ų62.984%0.83837%0.368SS*.SBendtrans-58146.8171.8-23.434.1000112R39P18-R39 PolarHBondContact O-NH1 2.82Å
19G91.2Very high91.9Very high40 Ų4068.1 Ų68.141%0.41239%0.393SS..SBendtrans107.3-169.4178.800000114.4R10R10-G19 VanDerWaalsContact NH2-C 3.25Å; R10-G19 PolarHBondContact NH2-O 3.37Å
20N94.3Very high91.6Very high65 Ų6575.8 Ų75.835%0.34843%0.434SS..  trans-90.9123.4179-75.3-13.3000109.5R10R10-N20 PolarHBondContact NH2-OD1 2.77Å
21P94.5Very high91.3Very high0 Ų077.1 Ų77.10%044%0.443CS..SBendtrans-68.7-38.7176.927.5-37.5000113N6 M9 T15 F38 R39 E43N6-P21 WeakPolarHBondContact OD1-CD 3.39Å; N6-P21 WeakPolarHBondContact OD1-CG 3.49Å; M9-P21 HydrophobicContact CB-CG 3.99Å; M9-P21 HydrophobicContact CE-CB 4.22Å; M9-P21 HydrophobicContact CE-CG 4.35Å; M9-P21 HydrophobicContact CG-CG 4.29Å; M9-P21 HydrophobicContact SD-CB 3.71Å; M9-P21 HydrophobicContact SD-CG 3.4Å; M9-P21 WeakPolarHBondContact SD-CG 3.35Å; T15-P21 HydrophobicContact CG2-CB 4.47Å; T15-P21 HydrophobicContact CG2-CG 3.92Å; P21-F38 HydrophobicContact CB-CD1 4.41Å; P21-F38 CarbonylContact O-C 3.58Å; P21-F38 VanDerWaalsContact O-CA 3.29Å; P21-F38 WeakPolarHBondContact O-CA 3.46Å; P21-R39 PolarHBondContact O-N 3.42Å; P21-E43 HydrophobicContact CB-CB 4.48Å
22V96.9Very high91.2Very high0 Ų076.4 Ų76.40%044%0.44CS..EExtended strand (participates in β ladder)trans-80.6123.5174.8-173.80000108.5M2 F5 N6 V25 E37 F38M2-V22 WeakPolarHBondContact CE-O 3.2Å; M2-V22 HydrophobicContact CG-CB 4.3Å; M2-V22 HydrophobicContact CG-CG1 3.98Å; F5-V22 HydrophobicContact CB-CG2 3.83Å; N6-V22 VanDerWaalsContact OD1-CB 3.31Å; N6-V22 WeakPolarHBondContact OD1-CB 3.28Å; N6-V22 WeakPolarHBondContact OD1-CG2 3.47Å; N6-V22 PolarHBondContact OD1-N 3.34Å; V22-V25 HydrophobicContact CG1-CG2 3.73Å; V22-E37 CarbonylContact C-O 3.47Å; V22-E37 WeakPolarHBondContact CA-O 3.45Å; V22-F38 HydrophobicContact CG2-CD1 4Å; V22-F38 HydrophobicContact CG2-CE1 3.55Å; V22-F38 HydrophobicContact CG2-CZ 4.01Å
23L96.4Very high91.5Very high93 Ų9378.6 Ų78.649%0.48744%0.439SS..EExtended strand (participates in β ladder)trans-96.2-39-178.8-63.3-176.3000112.4M2 E37 R39M2-L23 VanDerWaalsContact CE-O 3.24Å; M2-L23 WeakPolarHBondContact CE-O 3.48Å; L23-E37 PolarHBondContact N-O 2.67Å; L23-R39 HydrophobicContact CD1-CB 3.74Å; L23-R39 HydrophobicContact CD2-CB 4Å; L23-R39 HydrophobicContact CG-CB 3.86Å
24A96.2Very high91.7Very high31 Ų3177.1 Ų77.126%0.25642%0.421SS..EExtended strand (participates in β ladder)trans-146.7151.4-178.900000111.2E37A24-E37 HydrophobicContact CB-CB 4.06Å; A24-E37 PolarHBondContact N-O 3.19Å; A24-E37 PolarHBondContact O-N 3.34Å
25V96.6Very high92.1Very high38 Ų3882.1 Ų82.123%0.2344%0.442CS..EExtended strand (participates in β ladder)trans-133.7124.6171.5-176.90000108.9M1 M2 V22 I27 A34 F35 L36M1-V25 HydrophobicContact CB-CG1 4.23Å; M1-V25 HydrophobicContact CG-CG1 4.19Å; M1-V25 HydrophobicContact SD-CG1 3.99Å; M2-V25 HydrophobicContact CB-CB 4.43Å; M2-V25 HydrophobicContact CB-CG2 3.59Å; M2-V25 HydrophobicContact CG-CG2 4.06Å; V22-V25 HydrophobicContact CG1-CG2 3.73Å; V25-I27 HydrophobicContact CG1-CD1 4.43Å; V25-I27 HydrophobicContact CG1-CG1 3.88Å; V25-A34 HydrophobicContact CG1-CB 4.35Å; V25-F35 CarbonylContact C-O 3.57Å; V25-F35 VanDerWaalsContact CA-O 3.3Å; V25-F35 WeakPolarHBondContact CA-O 3.21Å; V25-L36 HydrophobicContact CG1-CD1 4.42Å; V25-L36 HydrophobicContact CG1-CG 4.49Å; V25-L36 HydrophobicContact CG2-CG 4.16Å
26Q95.8Very high92.4Very high129 Ų12982.3 Ų82.360%0.60344%0.441SS*.EExtended strand (participates in β ladder)trans-113.3112.3175-60.8-178.413.400108.9A34 F35Q26-A34 CarbonylContact O-C 3.57Å; Q26-A34 WeakPolarHBondContact O-CA 3.46Å; Q26-F35 HydrophobicContact CB-CB 4.39Å; Q26-F35 PolarHBondContact N-O 2.88Å; Q26-F35 PolarHBondContact O-N 3.1Å
27I93.8Very high92.8Very high101 Ų10181.8 Ų81.852%0.51844%0.439SS..EExtended strand (participates in β ladder)trans-98.9126.6-176.9-55.6178.1000109M1 V25 Q29 A34M1-I27 HydrophobicContact CB-CD1 4.43Å; V25-I27 HydrophobicContact CG1-CD1 4.43Å; V25-I27 HydrophobicContact CG1-CG1 3.88Å; I27-Q29 HydrophobicContact CG2-CG 4Å; I27-A34 HydrophobicContact CB-CB 4.43Å; I27-A34 HydrophobicContact CG1-CB 4.03Å
28N92.4Very high93Very high50 Ų5081 Ų8127%0.26743%0.427SS..EExtended strand (participates in β ladder)trans-103.197.4167.9-169.6-41.8000108.8D30 K31 N32 F33N28-D30 PolarHBondContact OD1-N 2.89Å; N28-K31 PolarHBondContact OD1-N 3.32Å; N28-N32 WeakPolarHBondContact O-CA 3.3Å; N28-N32 PolarHBondContact O-N 3.36Å; N28-F33 WeakPolarHBondContact CA-O 3.49Å; N28-F33 HydrophobicContact CB-CD1 4.4Å; N28-F33 HydrophobicContact CB-CD2 4.16Å; N28-F33 HydrophobicContact CB-CE1 4.12Å; N28-F33 HydrophobicContact CB-CE2 3.79Å; N28-F33 HydrophobicContact CB-CG 4.42Å; N28-F33 HydrophobicContact CB-CZ 3.78Å; N28-F33 PolarHBondContact N-O 2.86Å; N28-F33 PolarHBondContact O-N 2.77Å; N28-F33 VanDerWaalsContact O-N 3.15Å
29Q86.9Confident93.3Very high166 Ų16678.5 Ų78.578%0.77640%0.401SS*.THydrogen-bonded Turntrans-68.1-37.3-178.3-65.8-1765.200111.9I27 K31 N32I27-Q29 HydrophobicContact CG2-CG 4Å; Q29-K31 VanDerWaalsContact C-N 3.3Å; Q29-K31 PolarHBondContact O-N 3.44Å; Q29-N32 PolarHBondContact O-N 2.98Å
30D87.2Confident93.4Very high161 Ų16178.2 Ų78.286%0.86139%0.392SS*.THydrogen-bonded Turntrans-62.4-38.6-178.3-59.1-34.9000112.3N28N28-D30 PolarHBondContact OD1-N 2.89Å
31K84.7Confident93.2Very high154 Ų15477.2 Ų77.267%0.6739%0.388SS*.THydrogen-bonded Turntrans-101.34.8-179.2-62.9-175.1177.6-178.60113.3N28 Q29 F33N28-K31 PolarHBondContact OD1-N 3.32Å; Q29-K31 VanDerWaalsContact C-N 3.3Å; Q29-K31 PolarHBondContact O-N 3.44Å; K31-F33 HydrophobicContact CB-CD1 3.46Å; K31-F33 VanDerWaalsContact CB-CD1 3.46Å; K31-F33 HydrophobicContact CB-CE1 3.3Å; K31-F33 HydrophobicContact CB-CZ 4.39Å; K31-F33 HydrophobicContact CD-CE1 3.62Å; K31-F33 HydrophobicContact CD-CZ 4.33Å; K31-F33 HydrophobicContact CG-CE1 4.08Å; K31-F33 PolarHBondContact O-N 3.35Å
32N87.4Confident93Very high129 Ų12979.9 Ų79.969%0.6940%0.403SS*.THydrogen-bonded Turntrans50.446.9178.5-163.132.2000114.4N28 Q29N28-N32 WeakPolarHBondContact O-CA 3.3Å; N28-N32 PolarHBondContact O-N 3.36Å; Q29-N32 PolarHBondContact O-N 2.98Å
33F91.7Very high92.8Very high83 Ų8379.9 Ų79.936%0.36440%0.403SS..EExtended strand (participates in β ladder)trans-140.6164.9172.670.3-102.7000111.2N28 K31 F35N28-F33 WeakPolarHBondContact CA-O 3.49Å; N28-F33 HydrophobicContact CB-CD1 4.4Å; N28-F33 HydrophobicContact CB-CD2 4.16Å; N28-F33 HydrophobicContact CB-CE1 4.12Å; N28-F33 HydrophobicContact CB-CE2 3.79Å; N28-F33 HydrophobicContact CB-CG 4.42Å; N28-F33 HydrophobicContact CB-CZ 3.78Å; N28-F33 PolarHBondContact N-O 2.86Å; N28-F33 PolarHBondContact O-N 2.77Å; N28-F33 VanDerWaalsContact O-N 3.15Å; K31-F33 HydrophobicContact CB-CD1 3.46Å; K31-F33 VanDerWaalsContact CB-CD1 3.46Å; K31-F33 HydrophobicContact CB-CE1 3.3Å; K31-F33 HydrophobicContact CB-CZ 4.39Å; K31-F33 HydrophobicContact CD-CE1 3.62Å; K31-F33 HydrophobicContact CD-CZ 4.33Å; K31-F33 HydrophobicContact CG-CE1 4.08Å; K31-F33 PolarHBondContact O-N 3.35Å; F33-F35 HydrophobicContact CD2-CE2 4.23Å; F33-F35 HydrophobicContact CD2-CZ 4.46Å; F33-F35 AromaticContact CE2-CD2 3.98Å; F33-F35 HydrophobicContact CE2-CD2 3.98Å; F33-F35 AromaticContact CE2-CE2 3.43Å; F33-F35 HydrophobicContact CE2-CE2 3.43Å; F33-F35 VanDerWaalsContact CE2-CE2 3.43Å; F33-F35 AromaticContact CE2-CZ 3.84Å; F33-F35 HydrophobicContact CE2-CZ 3.84Å; F33-F35 HydrophobicContact CZ-CE2 4.26Å
34A94.8Very high92.7Very high29 Ų2976.8 Ų76.824%0.2439%0.387CS..EExtended strand (participates in β ladder)trans-137.3149.2173.200000111.5M1 V25 Q26 I27 L36M1-A34 HydrophobicContact CE-CB 4.4Å; M1-A34 HydrophobicContact SD-CB 3.6Å; V25-A34 HydrophobicContact CG1-CB 4.35Å; Q26-A34 CarbonylContact O-C 3.57Å; Q26-A34 WeakPolarHBondContact O-CA 3.46Å; I27-A34 HydrophobicContact CB-CB 4.43Å; I27-A34 HydrophobicContact CG1-CB 4.03Å; A34-L36 HydrophobicContact CB-CD1 4.23Å
35F95.4Very high92.4Very high114 Ų11475.5 Ų75.550%0.538%0.376SS..EExtended strand (participates in β ladder)trans-97.8133.6166.6-67-69.5000109.6V25 Q26 F33V25-F35 CarbonylContact C-O 3.57Å; V25-F35 VanDerWaalsContact CA-O 3.3Å; V25-F35 WeakPolarHBondContact CA-O 3.21Å; Q26-F35 HydrophobicContact CB-CB 4.39Å; Q26-F35 PolarHBondContact N-O 2.88Å; Q26-F35 PolarHBondContact O-N 3.1Å; F33-F35 HydrophobicContact CD2-CE2 4.23Å; F33-F35 HydrophobicContact CD2-CZ 4.46Å; F33-F35 AromaticContact CE2-CD2 3.98Å; F33-F35 HydrophobicContact CE2-CD2 3.98Å; F33-F35 AromaticContact CE2-CE2 3.43Å; F33-F35 HydrophobicContact CE2-CE2 3.43Å; F33-F35 VanDerWaalsContact CE2-CE2 3.43Å; F33-F35 AromaticContact CE2-CZ 3.84Å; F33-F35 HydrophobicContact CE2-CZ 3.84Å; F33-F35 HydrophobicContact CZ-CE2 4.26Å
36L96.2Very high92.2Very high50 Ų5074.9 Ų74.926%0.26237%0.371SS..EExtended strand (participates in β ladder)trans-114.8126.2174.2-75.572.8000108.2M1 F5 V25 A34 F38M1-L36 HydrophobicContact SD-CD1 4.02Å; F5-L36 HydrophobicContact CB-CD2 4.26Å; F5-L36 HydrophobicContact CD1-CD2 4.07Å; F5-L36 HydrophobicContact CD2-CD2 3.42Å; F5-L36 VanDerWaalsContact CD2-CD2 3.42Å; F5-L36 HydrophobicContact CE1-CD2 4.26Å; F5-L36 HydrophobicContact CE2-CD2 3.64Å; F5-L36 HydrophobicContact CG-CD2 3.64Å; F5-L36 HydrophobicContact CZ-CD2 4.05Å; V25-L36 HydrophobicContact CG1-CD1 4.42Å; V25-L36 HydrophobicContact CG1-CG 4.49Å; V25-L36 HydrophobicContact CG2-CG 4.16Å; A34-L36 HydrophobicContact CB-CD1 4.23Å; L36-F38 HydrophobicContact CB-CD2 4.44Å; L36-F38 HydrophobicContact CB-CE2 3.72Å; L36-F38 HydrophobicContact CB-CZ 4.3Å; L36-F38 HydrophobicContact CD2-CE2 4.4Å; L36-F38 HydrophobicContact CD2-CZ 4.19Å
37E95.8Very high92.1Very high109 Ų10968.8 Ų68.851%0.50934%0.343SS..EExtended strand (participates in β ladder)trans-101.5125.8174.2-170.9179.5160.600109.1V22 L23 A24V22-E37 CarbonylContact C-O 3.47Å; V22-E37 WeakPolarHBondContact CA-O 3.45Å; L23-E37 PolarHBondContact N-O 2.67Å; A24-E37 HydrophobicContact CB-CB 4.06Å; A24-E37 PolarHBondContact N-O 3.19Å; A24-E37 PolarHBondContact O-N 3.34Å
38F95.8Very high92Very high29 Ų2965.7 Ų65.713%0.12733%0.327CS..EExtended strand (participates in β ladder)trans-108.1152.4176.5-64.4-101000109.8M9 P21 V22 L36 S40 E43 T44 A47M9-F38 HydrophobicContact CE-CE1 4.36Å; M9-F38 HydrophobicContact SD-CD1 4.02Å; M9-F38 HydrophobicContact SD-CE1 3.51Å; M9-F38 VanDerWaalsContact SD-CE1 3.51Å; P21-F38 HydrophobicContact CB-CD1 4.41Å; P21-F38 CarbonylContact O-C 3.58Å; P21-F38 VanDerWaalsContact O-CA 3.29Å; P21-F38 WeakPolarHBondContact O-CA 3.46Å; V22-F38 HydrophobicContact CG2-CD1 4Å; V22-F38 HydrophobicContact CG2-CE1 3.55Å; V22-F38 HydrophobicContact CG2-CZ 4.01Å; L36-F38 HydrophobicContact CB-CD2 4.44Å; L36-F38 HydrophobicContact CB-CE2 3.72Å; L36-F38 HydrophobicContact CB-CZ 4.3Å; L36-F38 HydrophobicContact CD2-CE2 4.4Å; L36-F38 HydrophobicContact CD2-CZ 4.19Å; F38-S40 PolarHBondContact O-N 2.87Å; F38-E43 HydrophobicContact CD1-CB 4.5Å; F38-T44 VanDerWaalsContact CB-OG1 3.28Å; F38-T44 WeakPolarHBondContact CB-OG1 3.43Å; F38-T44 HydrophobicContact CD2-CG2 3.83Å; F38-T44 HydrophobicContact CE2-CG2 4.18Å; F38-A47 HydrophobicContact CD1-CB 4.45Å; F38-A47 HydrophobicContact CE1-CB 3.51Å; F38-A47 HydrophobicContact CE2-CB 4.27Å; F38-A47 HydrophobicContact CZ-CB 3.4Å
39R95.2Very high92Very high78 Ų7863.9 Ų63.929%0.29432%0.319SS..SBendtrans-70-16.3177.668.5-178.2177.9-175.4-6.5114.5A17 P18 P21 L23 E43A17-R39 PolarHBondContact O-NH2 3.47Å; P18-R39 PolarHBondContact O-NH1 2.82Å; P21-R39 PolarHBondContact O-N 3.42Å; L23-R39 HydrophobicContact CD1-CB 3.74Å; L23-R39 HydrophobicContact CD2-CB 4Å; L23-R39 HydrophobicContact CG-CB 3.86Å; R39-E43 WeakPolarHBondContact CD-OE2 3.39Å; R39-E43 WeakPolarHBondContact CG-OE2 3.5Å; R39-E43 IonicContact CZ-OE1 2.79Å; R39-E43 IonicContact CZ-OE2 3.18Å; R39-E43 IonicContact NE-OE1 3.04Å; R39-E43 PolarHBondContact NE-OE1 3.46Å; R39-E43 IonicContact NE-OE2 2.75Å; R39-E43 PolarHBondContact NE-OE2 3.09Å; R39-E43 IonicContact NH2-OE1 2.75Å; R39-E43 PolarHBondContact NH2-OE1 3.45Å; R39-E43 IonicContact NH2-OE2 2.71Å
40S93.1Very high92.3Very high34 Ų3456 Ų5624%0.23828%0.282CS..  trans-147149.4-179.670.90000112.1F38 D42 E43 T44F38-S40 PolarHBondContact O-N 2.87Å; S40-D42 VanDerWaalsContact C-N 3.33Å; S40-E43 PolarHBondContact O-N 3.36Å; S40-E43 VanDerWaalsContact OG-CB 3.23Å; S40-E43 WeakPolarHBondContact OG-CB 3.49Å; S40-E43 VanDerWaalsContact OG-CG 3.24Å; S40-E43 WeakPolarHBondContact OG-CG 3.29Å; S40-E43 PolarHBondContact OG-N 3.12Å; S40-E43 PolarHBondContact OG-OE2 2.71Å; S40-T44 PolarHBondContact O-N 2.8Å; S40-T44 VanDerWaalsContact O-N 3.11Å; S40-T44 PolarHBondContact O-OG1 3.34Å
41V91Very high92.6Very high44 Ų4448.8 Ų48.827%0.26724%0.243SC..Hα-helixtrans-65.2-38.5179.6177.70000111.4T44 T45 R64 Y68 L71 M74V41-T44 WeakPolarHBondContact O-CB 3.29Å; V41-T44 PolarHBondContact O-N 2.93Å; V41-T45 PolarHBondContact O-N 3.24Å; V41-T45 PolarHBondContact O-OG1 3.41Å; V41-R64 PolarHBondContact O-NH2 3.42Å; V41-Y68 WeakPolarHBondContact CG1-OH 3.5Å; V41-L71 HydrophobicContact CG2-CD1 4.45Å; V41-M74 HydrophobicContact CB-SD 4.17Å; V41-M74 HydrophobicContact CG1-SD 3.81Å
42D90.1Very high93Very high55 Ų5541.7 Ų41.729%0.29421%0.214SC..Hα-helixtrans-63-46.2177.7-64.3-84.5000112Q16 S40 T44 T45 Q46 M74Q16-D42 VanDerWaalsContact NE2-CB 3.33Å; S40-D42 VanDerWaalsContact C-N 3.33Å; D42-T44 VanDerWaalsContact C-N 3.3Å; D42-T44 PolarHBondContact O-N 3.13Å; D42-T45 WeakPolarHBondContact O-CA 3.34Å; D42-T45 WeakPolarHBondContact O-CB 3.47Å; D42-T45 PolarHBondContact O-N 2.89Å; D42-Q46 WeakPolarHBondContact O-CG 3.46Å; D42-Q46 PolarHBondContact O-N 2.83Å; D42-M74 WeakPolarHBondContact OD2-CE 3.34Å
43E92.6Very high93.2Very high1 Ų136.1 Ų36.11%0.00518%0.184CC..Hα-helixtrans-64.5-35.3175.3-75.8176.4140.400111.8M9 T15 Q16 P21 F38 R39 S40 T45 Q46 A47M9-E43 HydrophobicContact CE-CB 3.88Å; M9-E43 HydrophobicContact CE-CG 4.26Å; M9-E43 WeakPolarHBondContact CE-O 3.47Å; T15-E43 WeakPolarHBondContact CA-OE1 3.37Å; Q16-E43 HydrophobicContact CB-CG 4.33Å; Q16-E43 HydrophobicContact CG-CG 4.11Å; Q16-E43 PolarHBondContact N-OE1 3.11Å; P21-E43 HydrophobicContact CB-CB 4.48Å; F38-E43 HydrophobicContact CD1-CB 4.5Å; R39-E43 WeakPolarHBondContact CD-OE2 3.39Å; R39-E43 WeakPolarHBondContact CG-OE2 3.5Å; R39-E43 IonicContact CZ-OE1 2.79Å; R39-E43 IonicContact CZ-OE2 3.18Å; R39-E43 IonicContact NE-OE1 3.04Å; R39-E43 PolarHBondContact NE-OE1 3.46Å; R39-E43 IonicContact NE-OE2 2.75Å; R39-E43 PolarHBondContact NE-OE2 3.09Å; R39-E43 IonicContact NH2-OE1 2.75Å; R39-E43 PolarHBondContact NH2-OE1 3.45Å; R39-E43 IonicContact NH2-OE2 2.71Å; S40-E43 PolarHBondContact O-N 3.36Å; S40-E43 VanDerWaalsContact OG-CB 3.23Å; S40-E43 WeakPolarHBondContact OG-CB 3.49Å; S40-E43 VanDerWaalsContact OG-CG 3.24Å; S40-E43 WeakPolarHBondContact OG-CG 3.29Å; S40-E43 PolarHBondContact OG-N 3.12Å; S40-E43 PolarHBondContact OG-OE2 2.71Å; E43-T45 VanDerWaalsContact C-N 3.32Å; E43-T45 PolarHBondContact O-N 2.93Å; E43-Q46 PolarHBondContact O-N 2.74Å; E43-A47 WeakPolarHBondContact O-CB 3.5Å; E43-A47 PolarHBondContact O-N 3.22Å
44T93.1Very high93.2Very high27 Ų2736.3 Ų36.317%0.16619%0.188CC..Hα-helixtrans-61.2-42.1169.9-45.90000111.4F38 S40 V41 D42 A47 M48 R64F38-T44 VanDerWaalsContact CB-OG1 3.28Å; F38-T44 WeakPolarHBondContact CB-OG1 3.43Å; F38-T44 HydrophobicContact CD2-CG2 3.83Å; F38-T44 HydrophobicContact CE2-CG2 4.18Å; S40-T44 PolarHBondContact O-N 2.8Å; S40-T44 VanDerWaalsContact O-N 3.11Å; S40-T44 PolarHBondContact O-OG1 3.34Å; V41-T44 WeakPolarHBondContact O-CB 3.29Å; V41-T44 PolarHBondContact O-N 2.93Å; D42-T44 VanDerWaalsContact C-N 3.3Å; D42-T44 PolarHBondContact O-N 3.13Å; T44-A47 PolarHBondContact O-N 2.83Å; T44-M48 WeakPolarHBondContact O-CG 3.29Å; T44-M48 PolarHBondContact O-N 3.23Å; T44-R64 VanDerWaalsContact CG2-CZ 3.4Å
45T91.6Very high93Very high4 Ų436.2 Ų36.23%0.02518%0.182CC..Hα-helixtrans-63.4-43.8176.7-68.90000110.9V41 D42 E43 A47 M48 R64 S75V41-T45 PolarHBondContact O-N 3.24Å; V41-T45 PolarHBondContact O-OG1 3.41Å; D42-T45 WeakPolarHBondContact O-CA 3.34Å; D42-T45 WeakPolarHBondContact O-CB 3.47Å; D42-T45 PolarHBondContact O-N 2.89Å; E43-T45 VanDerWaalsContact C-N 3.32Å; E43-T45 PolarHBondContact O-N 2.93Å; T45-A47 VanDerWaalsContact C-N 3.33Å; T45-A47 PolarHBondContact O-N 3.15Å; T45-M48 WeakPolarHBondContact O-CB 3.28Å; T45-M48 WeakPolarHBondContact O-CG 3.29Å; T45-M48 PolarHBondContact O-N 3.22Å; T45-R64 VanDerWaalsContact N-NH2 3.17Å; T45-R64 PolarHBondContact OG1-NH2 2.87Å; T45-S75 WeakPolarHBondContact CG2-O 3.16Å; T45-S75 PolarHBondContact OG1-O 3.33Å
46Q91.9Very high92.7Very high25 Ų2539 Ų3912%0.11720%0.197CC..Hα-helixtrans-65.9-37.1177.5-62.4-56.6-3200112L14 D42 E43 M48 A49 S79L14-Q46 HydrophobicContact CB-CB 4.07Å; L14-Q46 HydrophobicContact CD1-CB 4.45Å; L14-Q46 HydrophobicContact CD2-CB 4.39Å; D42-Q46 WeakPolarHBondContact O-CG 3.46Å; D42-Q46 PolarHBondContact O-N 2.83Å; E43-Q46 PolarHBondContact O-N 2.74Å; Q46-M48 PolarHBondContact O-N 3.02Å; Q46-M48 VanDerWaalsContact O-N 3.16Å; Q46-A49 WeakPolarHBondContact O-CB 3.4Å; Q46-A49 PolarHBondContact O-N 3.22Å; Q46-S79 PolarHBondContact NE2-OG 2.94Å; Q46-S79 PolarHBondContact OE1-OG 3.34Å
47A93.4Very high92.1Very high2 Ų239.4 Ų39.42%0.01721%0.213CC..Hα-helixtrans-63.1-19.7176.300000113.5M9 F38 E43 T44 T45 A49 F50M9-A47 HydrophobicContact CE-CB 4.19Å; M9-A47 HydrophobicContact SD-CB 4.2Å; F38-A47 HydrophobicContact CD1-CB 4.45Å; F38-A47 HydrophobicContact CE1-CB 3.51Å; F38-A47 HydrophobicContact CE2-CB 4.27Å; F38-A47 HydrophobicContact CZ-CB 3.4Å; E43-A47 WeakPolarHBondContact O-CB 3.5Å; E43-A47 PolarHBondContact O-N 3.22Å; T44-A47 PolarHBondContact O-N 2.83Å; T45-A47 VanDerWaalsContact C-N 3.33Å; T45-A47 PolarHBondContact O-N 3.15Å; A47-A49 PolarHBondContact O-N 3.36Å; A47-F50 WeakPolarHBondContact O-CB 3.42Å; A47-F50 PolarHBondContact O-N 3.11Å; A47-F50 VanDerWaalsContact O-N 3.1Å
48M92.6Very high91.6Very high35 Ų3539.9 Ų39.917%0.17222%0.215CC..G310 helixtrans-61.1-22.6171.1-61.2-60.2-55.200112.8T44 T45 Q46 F50 D51 I62 R64 P78T44-M48 WeakPolarHBondContact O-CG 3.29Å; T44-M48 PolarHBondContact O-N 3.23Å; T45-M48 WeakPolarHBondContact O-CB 3.28Å; T45-M48 WeakPolarHBondContact O-CG 3.29Å; T45-M48 PolarHBondContact O-N 3.22Å; Q46-M48 PolarHBondContact O-N 3.02Å; Q46-M48 VanDerWaalsContact O-N 3.16Å; M48-F50 PolarHBondContact O-N 3.17Å; M48-D51 WeakPolarHBondContact O-CB 3.22Å; M48-D51 PolarHBondContact O-N 2.89Å; M48-D51 VanDerWaalsContact O-N 3.07Å; M48-I62 HydrophobicContact CE-CG2 4.32Å; M48-I62 WeakPolarHBondContact CE-O 3.22Å; M48-I62 HydrophobicContact SD-CG2 3.9Å; M48-R64 HydrophobicContact SD-CG 4.43Å; M48-P78 HydrophobicContact CB-CG 4.28Å
49A91.2Very high91.3Very high13 Ų1340.5 Ų40.511%0.10722%0.224CC..G310 helixtrans-63.4-17.517500000113.1Q46 A47 D51 P78 V82Q46-A49 WeakPolarHBondContact O-CB 3.4Å; Q46-A49 PolarHBondContact O-N 3.22Å; A47-A49 PolarHBondContact O-N 3.36Å; A49-D51 VanDerWaalsContact C-N 3.29Å; A49-P78 HydrophobicContact CB-CB 3.77Å; A49-P78 HydrophobicContact CB-CG 4.19Å; A49-V82 HydrophobicContact CB-CG2 3.83Å
50F93.7Very high91.1Very high1 Ų138.3 Ų38.30%0.00422%0.217CC..G310 helixtrans-87.410.3174.6-60.2-57000113.6F5 Q8 M9 L14 A47 M48 G52 I53 I62 V82F5-F50 HydrophobicContact CD1-CD2 4.4Å; F5-F50 HydrophobicContact CE1-CB 4.27Å; Q8-F50 HydrophobicContact CB-CE1 3.99Å; Q8-F50 HydrophobicContact CB-CE2 4.16Å; Q8-F50 HydrophobicContact CB-CZ 3.76Å; Q8-F50 WeakPolarHBondContact O-CZ 3.3Å; M9-F50 HydrophobicContact CG-CE2 3.67Å; M9-F50 HydrophobicContact CG-CZ 4.47Å; L14-F50 HydrophobicContact CD1-CE1 4.37Å; L14-F50 HydrophobicContact CD1-CE2 3.65Å; L14-F50 HydrophobicContact CD1-CZ 3.53Å; A47-F50 WeakPolarHBondContact O-CB 3.42Å; A47-F50 PolarHBondContact O-N 3.11Å; A47-F50 VanDerWaalsContact O-N 3.1Å; M48-F50 PolarHBondContact O-N 3.17Å; F50-G52 PolarHBondContact O-N 3.37Å; F50-G52 VanDerWaalsContact O-N 3.16Å; F50-I53 HydrophobicContact CB-CB 4.11Å; F50-I53 HydrophobicContact CB-CD1 4.31Å; F50-I53 HydrophobicContact CB-CG2 4.04Å; F50-I53 HydrophobicContact CD1-CD1 3.76Å; F50-I53 HydrophobicContact CE1-CD1 4.4Å; F50-I53 HydrophobicContact CG-CD1 4.23Å; F50-I53 WeakPolarHBondContact O-CB 3.49Å; F50-I53 WeakPolarHBondContact O-CG2 3.34Å; F50-I53 PolarHBondContact O-N 2.88Å; F50-I62 HydrophobicContact CB-CD1 3.82Å; F50-I62 VanDerWaalsContact O-CD1 3.29Å; F50-I62 WeakPolarHBondContact O-CD1 3.33Å; F50-V82 HydrophobicContact CD1-CG1 4.21Å; F50-V82 HydrophobicContact CD1-CG2 4.03Å; F50-V82 HydrophobicContact CE1-CB 4.42Å; F50-V82 HydrophobicContact CE1-CG1 3.92Å; F50-V82 HydrophobicContact CE1-CG2 3.78Å
51D94.1Very high91.1Very high8 Ų843.2 Ų43.24%0.04323%0.234CC..THydrogen-bonded Turntrans-58.8120.4171.1-177.451.4000110.7M48 A49 K61 I62 R63 V85 S87 T88M48-D51 WeakPolarHBondContact O-CB 3.22Å; M48-D51 PolarHBondContact O-N 2.89Å; M48-D51 VanDerWaalsContact O-N 3.07Å; A49-D51 VanDerWaalsContact C-N 3.29Å; D51-K61 WeakPolarHBondContact OD1-CA 3.47Å; D51-I62 HydrophobicContact CB-CB 4.28Å; D51-I62 PolarHBondContact OD1-N 2.95Å; D51-R63 IonicContact OD1-CZ 3.64Å; D51-R63 IonicContact OD1-NH1 3.46Å; D51-R63 PolarHBondContact OD1-NH1 2.76Å; D51-R63 IonicContact OD2-CZ 2.73Å; D51-R63 IonicContact OD2-NH1 2.59Å; D51-R63 PolarHBondContact OD2-NH1 2.86Å; D51-R63 IonicContact OD2-NH2 4Å; D51-V85 WeakPolarHBondContact O-CG1 3.18Å; D51-S87 WeakPolarHBondContact O-CA 3.48Å; D51-T88 PolarHBondContact OD1-OG1 2.89Å; D51-T88 WeakPolarHBondContact OD2-CA 3.07Å; D51-T88 WeakPolarHBondContact OD2-CB 3.42Å; D51-T88 PolarHBondContact OD2-N 3.44Å; D51-T88 PolarHBondContact OD2-OG1 2.66Å
52G91.5Very high91.2Very high5 Ų542.5 Ų42.55%0.05223%0.229CC..THydrogen-bonded Turntrans92.32.2-172.900000115.1F50 S59 L60 V86F50-G52 PolarHBondContact O-N 3.37Å; F50-G52 VanDerWaalsContact O-N 3.16Å; G52-S59 WeakPolarHBondContact CA-OG 3.36Å; G52-S59 PolarHBondContact O-OG 3.04Å; G52-L60 VanDerWaalsContact CA-O 3.28Å; G52-L60 WeakPolarHBondContact CA-O 3.33Å; G52-L60 PolarHBondContact N-O 3.37Å; G52-V86 WeakPolarHBondContact CA-O 3.39Å
53I93.4Very high91.4Very high12 Ų1245.5 Ų45.56%0.06224%0.236CC..  trans-62.1142175.5-162.3171.2000110.9F4 Q8 F50 L60 V85F4-I53 HydrophobicContact CE1-CD1 3.91Å; F4-I53 HydrophobicContact CE1-CG1 4.4Å; F4-I53 HydrophobicContact CE1-CG2 4.06Å; F4-I53 HydrophobicContact CZ-CD1 3.54Å; F4-I53 HydrophobicContact CZ-CG1 3.9Å; F4-I53 HydrophobicContact CZ-CG2 4.33Å; Q8-I53 HydrophobicContact CB-CD1 4.37Å; Q8-I53 HydrophobicContact CG-CD1 3.75Å; F50-I53 HydrophobicContact CB-CB 4.11Å; F50-I53 HydrophobicContact CB-CD1 4.31Å; F50-I53 HydrophobicContact CB-CG2 4.04Å; F50-I53 HydrophobicContact CD1-CD1 3.76Å; F50-I53 HydrophobicContact CE1-CD1 4.4Å; F50-I53 HydrophobicContact CG-CD1 4.23Å; F50-I53 WeakPolarHBondContact O-CB 3.49Å; F50-I53 WeakPolarHBondContact O-CG2 3.34Å; F50-I53 PolarHBondContact O-N 2.88Å; I53-L60 HydrophobicContact CG2-CB 4.36Å; I53-L60 HydrophobicContact CG2-CD1 4.26Å; I53-L60 PolarHBondContact O-N 2.89Å; I53-V85 HydrophobicContact CB-CG2 4.32Å; I53-V85 HydrophobicContact CG1-CG2 4.27Å
54I90.4Very high91.3Very high87 Ų8748 Ų4845%0.44625%0.245SC..EExtended strand (participates in β ladder)trans-80.8123175.7-54.2-56.1000109.8F4 Q58F4-I54 WeakPolarHBondContact CZ-O 3.35Å; I54-Q58 WeakPolarHBondContact CA-O 3.45Å
55F91.2Very high91.2Very high28 Ų2849.8 Ų49.812%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-129.5122.3172.1178.2-105.5000108.9M1 F4 G57 Q58 L60M1-F55 HydrophobicContact CB-CE1 4.36Å; M1-F55 HydrophobicContact CB-CZ 4.06Å; M1-F55 HydrophobicContact CE-CD1 3.92Å; M1-F55 HydrophobicContact CE-CE1 3.87Å; F4-F55 HydrophobicContact CB-CD2 4Å; F4-F55 HydrophobicContact CB-CE2 3.76Å; F4-F55 AromaticContact CD1-CD2 3.53Å; F4-F55 HydrophobicContact CD1-CD2 3.53Å; F4-F55 HydrophobicContact CD1-CE2 4.13Å; F4-F55 HydrophobicContact CD1-CG 4.31Å; F4-F55 AromaticContact CD2-CD2 3.78Å; F4-F55 HydrophobicContact CD2-CD2 3.78Å; F4-F55 HydrophobicContact CD2-CE2 4.24Å; F4-F55 HydrophobicContact CE1-CB 4.06Å; F4-F55 AromaticContact CE1-CD2 3.84Å; F4-F55 HydrophobicContact CE1-CD2 3.84Å; F4-F55 HydrophobicContact CE1-CG 4.32Å; F4-F55 HydrophobicContact CE2-CD2 4.06Å; F4-F55 AromaticContact CG-CD2 3.48Å; F4-F55 HydrophobicContact CG-CD2 3.48Å; F4-F55 VanDerWaalsContact CG-CD2 3.48Å; F4-F55 AromaticContact CG-CE2 3.79Å; F4-F55 HydrophobicContact CG-CE2 3.79Å; F4-F55 HydrophobicContact CZ-CB 4.17Å; F4-F55 HydrophobicContact CZ-CD2 4.08Å; F55-G57 PolarHBondContact O-N 3.49Å; F55-Q58 PolarHBondContact N-O 3.34Å; F55-Q58 PolarHBondContact O-N 3.13Å; F55-L60 HydrophobicContact CB-CD1 3.56Å; F55-L60 HydrophobicContact CB-CD2 4.18Å; F55-L60 HydrophobicContact CB-CG 3.78Å; F55-L60 HydrophobicContact CD1-CD1 4.37Å; F55-L60 HydrophobicContact CD1-CD2 4.5Å; F55-L60 HydrophobicContact CG-CD1 4.12Å
56Q88.9Confident91Very high172 Ų17259 Ų5980%0.80430%0.3SS*.THydrogen-bonded Turntrans5239.7-178.1-60.7-177.4-43.300113.3Q58Q56-Q58 VanDerWaalsContact C-N 3.27Å; Q56-Q58 PolarHBondContact O-N 3.01Å
57G83.6Confident90.8Very high59 Ų5964.4 Ų64.461%0.60833%0.329SS*.THydrogen-bonded Turntrans77.25.6-179.600000114.9F55F55-G57 PolarHBondContact O-N 3.49Å
58Q85.1Confident90.6Very high118 Ų11867.2 Ų67.255%0.55134%0.34SS*.EExtended strand (participates in β ladder)trans-118.8136177.3-65.5-171.7-17.400111.8I54 F55 Q56 L60I54-Q58 WeakPolarHBondContact CA-O 3.45Å; F55-Q58 PolarHBondContact N-O 3.34Å; F55-Q58 PolarHBondContact O-N 3.13Å; Q56-Q58 VanDerWaalsContact C-N 3.27Å; Q56-Q58 PolarHBondContact O-N 3.01Å; Q58-L60 PolarHBondContact O-N 2.9Å
59S88.7Confident90.3Very high43 Ų4373.4 Ų73.430%0.30137%0.369SS..EExtended strand (participates in β ladder)trans-70.4120.7170.3-176.50000110.2G52G52-S59 WeakPolarHBondContact CA-OG 3.36Å; G52-S59 PolarHBondContact O-OG 3.04Å
60L92.2Very high89.8Confident31 Ų3175.2 Ų75.216%0.16238%0.379CS..PPolyproline II helixtrans-83.7142.4178.1-60.7-174.8000111.8M1 F5 G52 I53 F55 Q58 I62M1-L60 HydrophobicContact CE-CD1 4.21Å; F5-L60 HydrophobicContact CE2-CD1 3.92Å; F5-L60 HydrophobicContact CZ-CD1 3.78Å; G52-L60 VanDerWaalsContact CA-O 3.28Å; G52-L60 WeakPolarHBondContact CA-O 3.33Å; G52-L60 PolarHBondContact N-O 3.37Å; I53-L60 HydrophobicContact CG2-CB 4.36Å; I53-L60 HydrophobicContact CG2-CD1 4.26Å; I53-L60 PolarHBondContact O-N 2.89Å; F55-L60 HydrophobicContact CB-CD1 3.56Å; F55-L60 HydrophobicContact CB-CD2 4.18Å; F55-L60 HydrophobicContact CB-CG 3.78Å; F55-L60 HydrophobicContact CD1-CD1 4.37Å; F55-L60 HydrophobicContact CD1-CD2 4.5Å; F55-L60 HydrophobicContact CG-CD1 4.12Å; Q58-L60 PolarHBondContact O-N 2.9Å; L60-I62 HydrophobicContact CB-CG1 4.47Å
61K92.3Very high89.3Confident137 Ų13779.7 Ų79.760%0.59640%0.403SS*.PPolyproline II helixtrans-100.1117.1168.7-66.8-175.4-179.9-175.50109.2D51 T88D51-K61 WeakPolarHBondContact OD1-CA 3.47Å; K61-T88 HydrophobicContact CG-CG2 4.08Å
62I93.9Very high88.8Confident30 Ų3085.6 Ų85.615%0.15444%0.441CS..  trans-110.6119.6-176-54.3-174.5000109.6F5 M48 F50 D51 L60F5-I62 HydrophobicContact CE1-CD1 3.52Å; F5-I62 HydrophobicContact CZ-CD1 3.71Å; M48-I62 HydrophobicContact CE-CG2 4.32Å; M48-I62 WeakPolarHBondContact CE-O 3.22Å; M48-I62 HydrophobicContact SD-CG2 3.9Å; F50-I62 HydrophobicContact CB-CD1 3.82Å; F50-I62 VanDerWaalsContact O-CD1 3.29Å; F50-I62 WeakPolarHBondContact O-CD1 3.33Å; D51-I62 HydrophobicContact CB-CB 4.28Å; D51-I62 PolarHBondContact OD1-N 2.95Å; L60-I62 HydrophobicContact CB-CG1 4.47Å
63R93.1Very high88.1Confident118 Ų11889.7 Ų89.745%0.44548%0.484SS..  trans-135.3150.6-178.7-64.9-63.6179.8-77.1-10.7110.7D51 T88D51-R63 IonicContact OD1-CZ 3.64Å; D51-R63 IonicContact OD1-NH1 3.46Å; D51-R63 PolarHBondContact OD1-NH1 2.76Å; D51-R63 IonicContact OD2-CZ 2.73Å; D51-R63 IonicContact OD2-NH1 2.59Å; D51-R63 PolarHBondContact OD2-NH1 2.86Å; D51-R63 IonicContact OD2-NH2 4Å; R63-T88 PolarHBondContact NH1-OG1 3.38Å; R63-T88 PolarHBondContact NH2-OG1 3.41Å
64R92.3Very high87.3Confident52 Ų5292.4 Ų92.420%0.19650%0.497CS..  trans-63146.2160.9-69.5-71.5-173.7165.3-0.9108.9V41 T44 T45 M48 Y68V41-R64 PolarHBondContact O-NH2 3.42Å; T44-R64 VanDerWaalsContact CG2-CZ 3.4Å; T45-R64 VanDerWaalsContact N-NH2 3.17Å; T45-R64 PolarHBondContact OG1-NH2 2.87Å; M48-R64 HydrophobicContact SD-CG 4.43Å; R64-Y68 HydrophobicContact CB-CD1 3.98Å; R64-Y68 HydrophobicContact CB-CG 4.22Å; R64-Y68 HydrophobicContact CG-CD1 3.85Å; R64-Y68 HydrophobicContact CG-CE1 4.21Å; R64-Y68 HydrophobicContact CG-CG 4.37Å
65P90.4Very high86.6Confident65 Ų6591.8 Ų91.842%0.42250%0.501SS..  trans-52.3148.9168.7-26.335.5000111.5D67 Y68P65-D67 WeakPolarHBondContact CB-OD1 3.05Å; P65-D67 PolarHBondContact O-N 3.08Å; P65-Y68 VanDerWaalsContact O-CB 3.29Å; P65-Y68 WeakPolarHBondContact O-CB 3.38Å; P65-Y68 PolarHBondContact O-N 3.27Å; P65-Y68 VanDerWaalsContact O-N 3.07Å
66H86.8Confident85.9Confident199 Ų19995.2 Ų95.292%0.92152%0.517SS*.THydrogen-bonded Turntrans-63.6-25.2-175-173.668.3000113.4
67D88.6Confident85.5Confident137 Ų13793.2 Ų93.273%0.73351%0.512SS*.THydrogen-bonded Turntrans-94.95.5179.260.5-36.3000113.5P65 Q69P65-D67 WeakPolarHBondContact CB-OD1 3.05Å; P65-D67 PolarHBondContact O-N 3.08Å; D67-Q69 PolarHBondContact O-N 2.63Å
68Y88.4Confident85.4Confident61 Ų6192.6 Ų92.624%0.23950%0.497CS..  trans-69.6126.2175.8175.5-103.3000111.2V41 R64 P65 P70V41-Y68 WeakPolarHBondContact CG1-OH 3.5Å; R64-Y68 HydrophobicContact CB-CD1 3.98Å; R64-Y68 HydrophobicContact CB-CG 4.22Å; R64-Y68 HydrophobicContact CG-CD1 3.85Å; R64-Y68 HydrophobicContact CG-CE1 4.21Å; R64-Y68 HydrophobicContact CG-CG 4.37Å; P65-Y68 VanDerWaalsContact O-CB 3.29Å; P65-Y68 WeakPolarHBondContact O-CB 3.38Å; P65-Y68 PolarHBondContact O-N 3.27Å; P65-Y68 VanDerWaalsContact O-N 3.07Å; Y68-P70 HydrophobicContact CE1-CB 4.19Å
69Q85.5Confident84.9Confident166 Ų16691.6 Ų91.678%0.77650%0.503SS*.  trans-107.9119.7173.7-15296.733.500109D67D67-Q69 PolarHBondContact O-N 2.63Å
70P81.4Confident84.3Confident51 Ų5192.5 Ų92.533%0.33151%0.507SS..PPolyproline II helixtrans-64.4142.5178.524-32.7000111.9Y68 E76Y68-P70 HydrophobicContact CE1-CB 4.19Å; P70-E76 HydrophobicContact CB-CG 3.82Å; P70-E76 WeakPolarHBondContact CB-OE1 3.29Å; P70-E76 HydrophobicContact CG-CG 4.35Å; P70-E76 WeakPolarHBondContact CG-OE1 3.43Å
71L84.1Confident83.5Confident94 Ų9496.3 Ų96.349%0.49252%0.52SS..PPolyproline II helixtrans-69.7139.8172.5-68172.2000110.1V41 G73 M74V41-L71 HydrophobicContact CG2-CD1 4.45Å; L71-G73 PolarHBondContact O-N 2.83Å; L71-M74 HydrophobicContact CB-CB 4.47Å; L71-M74 HydrophobicContact CB-CG 4.26Å; L71-M74 HydrophobicContact CB-SD 3.99Å; L71-M74 HydrophobicContact CD1-SD 3.81Å; L71-M74 HydrophobicContact CG-SD 4.44Å; L71-M74 PolarHBondContact O-N 3.45Å; L71-M74 VanDerWaalsContact O-N 3.15Å
72P83.1Confident83Confident132 Ų13290.8 Ų90.886%0.85750%0.498SS*.THydrogen-bonded Turntrans-56.3128.2178-23.432.4000111.8M74P72-M74 VanDerWaalsContact C-N 3.35Å
73G77.3Confident82.3Confident92 Ų9294.6 Ų94.695%0.94852%0.524SS*.THydrogen-bonded Turntrans84.5-1.1178.300000115.5L71L71-G73 PolarHBondContact O-N 2.83Å
74M76.7Confident81.8Confident68 Ų6892.6 Ų92.634%0.33554%0.541SS..  trans-90.9140.9171.2-77.6-17015300111.9V41 D42 L71 P72V41-M74 HydrophobicContact CB-SD 4.17Å; V41-M74 HydrophobicContact CG1-SD 3.81Å; D42-M74 WeakPolarHBondContact OD2-CE 3.34Å; L71-M74 HydrophobicContact CB-CB 4.47Å; L71-M74 HydrophobicContact CB-CG 4.26Å; L71-M74 HydrophobicContact CB-SD 3.99Å; L71-M74 HydrophobicContact CD1-SD 3.81Å; L71-M74 HydrophobicContact CG-SD 4.44Å; L71-M74 PolarHBondContact O-N 3.45Å; L71-M74 VanDerWaalsContact O-N 3.15Å; P72-M74 VanDerWaalsContact C-N 3.35Å
75S75.6Confident81.6Confident75 Ų7590.8 Ų90.852%0.52454%0.535SS..  trans-76.6136.4173.256.50000111.3T45T45-S75 WeakPolarHBondContact CG2-O 3.16Å; T45-S75 PolarHBondContact OG1-O 3.33Å
76E76.6Confident81.7Confident100 Ų10089.3 Ų89.347%0.46753%0.525SS..  trans-93.4-16.8175.9-62.1-159.896.800113.7P70P70-E76 HydrophobicContact CB-CG 3.82Å; P70-E76 WeakPolarHBondContact CB-OE1 3.29Å; P70-E76 HydrophobicContact CG-CG 4.35Å; P70-E76 WeakPolarHBondContact CG-OE1 3.43Å
77N80.1Confident82Confident130 Ų13081.5 Ų81.570%0.69549%0.493SS*.SBendtrans-92.1138178.5-66.6-48.7000110.2
78P81.4Confident82.2Confident46 Ų4675.6 Ų75.630%0.29946%0.462SS..  trans-61.3140169.126.4-31.8000109.6M48 A49 V80M48-P78 HydrophobicContact CB-CG 4.28Å; A49-P78 HydrophobicContact CB-CB 3.77Å; A49-P78 HydrophobicContact CB-CG 4.19Å; P78-V80 VanDerWaalsContact C-N 3.3Å
79S73.9Confident82.3Confident96 Ų9675.9 Ų75.967%0.67147%0.47SS*.SBendtrans-85.8-5.8178.949.40000113Q46Q46-S79 PolarHBondContact NE2-OG 2.94Å; Q46-S79 PolarHBondContact OE1-OG 3.34Å
80V77.4Confident82.6Confident63 Ų6368.6 Ų68.638%0.38244%0.436SS..  trans-122.4135.9-171.1-174.30000110.1L14 P78L14-V80 HydrophobicContact CD2-CB 3.95Å; L14-V80 HydrophobicContact CD2-CG1 4.12Å; L14-V80 HydrophobicContact CD2-CG2 3.83Å; P78-V80 VanDerWaalsContact C-N 3.3Å
81Y74Confident82.9Confident111 Ų11169.2 Ų69.244%0.43544%0.44SS..  trans-90.5128.5166.6173.3-102000109P83 V144Y81-P83 WeakPolarHBondContact O-CD 3.33Å; Y81-V144 HydrophobicContact CE2-CG2 4.42Å
82V82.2Confident83.1Confident21 Ų2170.3 Ų70.313%0.12745%0.447CS..  trans-96.4114.9175.9-178.40000108.4A49 F50 G84 V85A49-V82 HydrophobicContact CB-CG2 3.83Å; F50-V82 HydrophobicContact CD1-CG1 4.21Å; F50-V82 HydrophobicContact CD1-CG2 4.03Å; F50-V82 HydrophobicContact CE1-CB 4.42Å; F50-V82 HydrophobicContact CE1-CG1 3.92Å; F50-V82 HydrophobicContact CE1-CG2 3.78Å; V82-G84 PolarHBondContact O-N 3.29Å; V82-V85 HydrophobicContact CB-CB 4.14Å; V82-V85 HydrophobicContact CB-CG2 3.89Å; V82-V85 HydrophobicContact CG1-CB 4.34Å; V82-V85 HydrophobicContact CG1-CG2 3.58Å; V82-V85 PolarHBondContact O-N 3.15Å; V82-V85 VanDerWaalsContact O-N 3.16Å
83P79.6Confident83.5Confident109 Ų10965.4 Ų65.471%0.70842%0.416SS*.THydrogen-bonded Turntrans-55.2137177.3-25.835.1000112.1Y81 V85Y81-P83 WeakPolarHBondContact O-CD 3.33Å; P83-V85 PolarHBondContact O-N 3.3Å
84G82Confident84.1Confident77 Ų7764.2 Ų64.279%0.79440%0.397SS*.THydrogen-bonded Turntrans79.8-5.5-179.600000115.2V82V82-G84 PolarHBondContact O-N 3.29Å
85V88.6Confident84.8Confident14 Ų1463.7 Ų63.79%0.08539%0.394CS..  trans-94.5126.6172.5179.30000109.8D51 I53 V82 P83D51-V85 WeakPolarHBondContact O-CG1 3.18Å; I53-V85 HydrophobicContact CB-CG2 4.32Å; I53-V85 HydrophobicContact CG1-CG2 4.27Å; V82-V85 HydrophobicContact CB-CB 4.14Å; V82-V85 HydrophobicContact CB-CG2 3.89Å; V82-V85 HydrophobicContact CG1-CB 4.34Å; V82-V85 HydrophobicContact CG1-CG2 3.58Å; V82-V85 PolarHBondContact O-N 3.15Å; V82-V85 VanDerWaalsContact O-N 3.16Å; P83-V85 PolarHBondContact O-N 3.3Å
86V91.8Very high85.8Confident33 Ų3361.1 Ų61.120%0.237%0.373CS..  trans-107.7109.6178.2-175.20000109.3G52 T88 L121 F124G52-V86 WeakPolarHBondContact CA-O 3.39Å; V86-T88 PolarHBondContact O-N 2.91Å; V86-L121 HydrophobicContact CG1-CB 3.67Å; V86-L121 HydrophobicContact CG2-CB 4.08Å; V86-F124 HydrophobicContact CG1-CB 3.66Å
87S92.8Very high86.7Confident36 Ų3656.4 Ų56.425%0.25235%0.351SS..BIsolated β-bridgetrans-54136.5-179.9169.50000111.7D51 V89 K122 A123 F124D51-S87 WeakPolarHBondContact O-CA 3.48Å; S87-V89 VanDerWaalsContact C-N 3.27Å; S87-V89 PolarHBondContact OG-N 3.42Å; S87-V89 VanDerWaalsContact OG-N 3.12Å; S87-V89 PolarHBondContact OG-O 3.07Å; S87-K122 PolarHBondContact N-O 2.79Å; S87-K122 VanDerWaalsContact N-O 3.12Å; S87-A123 CarbonylContact O-C 3.58Å; S87-A123 VanDerWaalsContact O-CA 3.23Å; S87-A123 WeakPolarHBondContact O-CA 3.4Å; S87-F124 PolarHBondContact O-N 2.99Å
88T92.7Very high87.5Confident13 Ų1352 Ų528%0.0833%0.326CS..SBendtrans-83.8-5.9175.569.80000112.6D51 K61 R63 V86 F124D51-T88 PolarHBondContact OD1-OG1 2.89Å; D51-T88 WeakPolarHBondContact OD2-CA 3.07Å; D51-T88 WeakPolarHBondContact OD2-CB 3.42Å; D51-T88 PolarHBondContact OD2-N 3.44Å; D51-T88 PolarHBondContact OD2-OG1 2.66Å; K61-T88 HydrophobicContact CG-CG2 4.08Å; R63-T88 PolarHBondContact NH1-OG1 3.38Å; R63-T88 PolarHBondContact NH2-OG1 3.41Å; V86-T88 PolarHBondContact O-N 2.91Å; T88-F124 WeakPolarHBondContact CA-O 3.47Å
89V90.6Very high88.3Confident67 Ų6749.9 Ų49.941%0.40631%0.312SS..  trans-100.7124167.5-174.60000109.4S87 P91 A123S87-V89 VanDerWaalsContact C-N 3.27Å; S87-V89 PolarHBondContact OG-N 3.42Å; S87-V89 VanDerWaalsContact OG-N 3.12Å; S87-V89 PolarHBondContact OG-O 3.07Å; V89-P91 WeakPolarHBondContact O-CD 3.36Å; V89-A123 VanDerWaalsContact O-CB 3.25Å; V89-A123 WeakPolarHBondContact O-CB 3.46Å
90V92.4Very high89.3Confident12 Ų1245.5 Ų45.57%0.07328%0.282CS..  trans-101.899.5171.7-168.30000108.8K96 A123 N125 F140 E142V90-K96 HydrophobicContact CG1-CD 4.11Å; V90-K96 HydrophobicContact CG1-CG 3.77Å; V90-K96 PolarHBondContact O-NZ 2.79Å; V90-A123 HydrophobicContact CB-CB 4.28Å; V90-A123 HydrophobicContact CG1-CB 4.33Å; V90-A123 HydrophobicContact CG2-CB 3.92Å; V90-N125 HydrophobicContact CG2-CB 3.96Å; V90-F140 HydrophobicContact CB-CB 4.06Å; V90-F140 HydrophobicContact CG1-CB 4.2Å; V90-F140 HydrophobicContact CG2-CB 3.98Å; V90-E142 HydrophobicContact CG1-CB 4.25Å
91P88.3Confident90Very high64 Ų6443.9 Ų43.942%0.41628%0.278SS..  trans-62.5152.9-179.328.4-34.8000110.6V89 S93 K96V89-P91 WeakPolarHBondContact O-CD 3.36Å; P91-S93 PolarHBondContact O-N 3.4Å; P91-K96 WeakPolarHBondContact O-CD 3.2Å
92D88.7Confident91Very high117 Ų11738.7 Ų38.763%0.62626%0.257SS*.  trans-70.6125.7174.2-70.7-23.7000110K96 V173D92-K96 IonicContact OD1-NZ 2.83Å; D92-K96 PolarHBondContact OD1-NZ 2.93Å; D92-V173 HydrophobicContact CB-CG1 4.27Å
93S90.4Very high91.3Very high29 Ų2937.7 Ų37.720%0.20325%0.252CS..  trans-154.7167.6-178.784.10000110P91 H95 K96 E142P91-S93 PolarHBondContact O-N 3.4Å; S93-H95 PolarHBondContact O-N 3.48Å; S93-H95 PolarHBondContact OG-N 3.07Å; S93-H95 VanDerWaalsContact OG-N 3.08Å; S93-K96 PolarHBondContact O-N 3.18Å; S93-K96 PolarHBondContact OG-N 3.31Å; S93-E142 WeakPolarHBondContact CB-OE2 3.23Å; S93-E142 PolarHBondContact OG-OE2 3.11Å
94A90.3Very high91.8Very high67 Ų6736.8 Ų36.855%0.55424%0.241SC*.THydrogen-bonded Turntrans-67-12.8173.100000113.6R170A94-R170 WeakPolarHBondContact O-CD 3.3Å; A94-R170 PolarHBondContact O-NE 2.94Å
95H92.2Very high92Very high58 Ų5839.6 Ų39.627%0.26923%0.228SC..THydrogen-bonded Turntrans-109.9-1.3-176.9-56-75.4000113S93 L97 E142 I146S93-H95 PolarHBondContact O-N 3.48Å; S93-H95 PolarHBondContact OG-N 3.07Å; S93-H95 VanDerWaalsContact OG-N 3.08Å; H95-L97 PolarHBondContact O-N 3.5Å; H95-E142 HydrophobicContact CB-CG 4.35Å; H95-I146 HydrophobicContact CB-CG2 4.46Å
96K94.8Very high92Very high21 Ų2139.5 Ų39.59%0.09123%0.227CC..PPolyproline II helixtrans-62.7127.6171.8-177.4176.1-177.2160.70109.6V90 P91 D92 S93 F140 R170 A171V90-K96 HydrophobicContact CG1-CD 4.11Å; V90-K96 HydrophobicContact CG1-CG 3.77Å; V90-K96 PolarHBondContact O-NZ 2.79Å; P91-K96 WeakPolarHBondContact O-CD 3.2Å; D92-K96 IonicContact OD1-NZ 2.83Å; D92-K96 PolarHBondContact OD1-NZ 2.93Å; S93-K96 PolarHBondContact O-N 3.18Å; S93-K96 PolarHBondContact OG-N 3.31Å; K96-F140 HydrophobicContact CD-CD1 4.41Å; K96-F140 VanDerWaalsContact CE-CD1 3.43Å; K96-F140 HydrophobicContact CG-CD1 4.39Å; K96-R170 CarbonylContact O-C 3.56Å; K96-R170 WeakPolarHBondContact O-CA 3.31Å; K96-A171 HydrophobicContact CB-CB 4.17Å; K96-A171 HydrophobicContact CD-CB 3.92Å; K96-A171 HydrophobicContact CG-CB 3.69Å; K96-A171 PolarHBondContact O-N 3.37Å
97L96.4Very high91.8Very high1 Ų141.2 Ų41.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-100.9141.1174.8-66.7179.7000110.8H95 I99 F140 C141 Y143 T149 A152 I153 Q169 R170H95-L97 PolarHBondContact O-N 3.5Å; L97-I99 HydrophobicContact CB-CD1 4.01Å; L97-F140 VanDerWaalsContact O-CA 3.23Å; L97-F140 WeakPolarHBondContact O-CA 3.26Å; L97-F140 WeakPolarHBondContact O-CD1 3.48Å; L97-C141 PolarHBondContact N-O 3.23Å; L97-C141 PolarHBondContact O-N 3.41Å; L97-C141 VanDerWaalsContact O-N 3.14Å; L97-Y143 HydrophobicContact CD1-CD2 4.16Å; L97-Y143 HydrophobicContact CD1-CE2 3.69Å; L97-T149 HydrophobicContact CD1-CG2 4.24Å; L97-T149 HydrophobicContact CD2-CG2 3.66Å; L97-T149 HydrophobicContact CG-CG2 4.04Å; L97-A152 HydrophobicContact CD1-CB 4.36Å; L97-I153 HydrophobicContact CD2-CD1 3.61Å; L97-I153 HydrophobicContact CD2-CG1 3.58Å; L97-Q169 WeakPolarHBondContact CA-O 3.25Å; L97-R170 HydrophobicContact CD2-CG 4.36Å
98F97.3Very high91.7Very high37 Ų3741.1 Ų41.116%0.16223%0.232CC..EExtended strand (participates in β ladder)trans-100.5131.8162.3170.1-93.7000108.5Y138 F140 L167 V168 Q169 A171F98-Y138 HydrophobicContact CD2-CD2 4.21Å; F98-Y138 AromaticContact CE2-CD2 3.58Å; F98-Y138 HydrophobicContact CE2-CD2 3.58Å; F98-Y138 HydrophobicContact CE2-CE2 4.39Å; F98-Y138 AromaticContact CE2-CG 3.86Å; F98-Y138 HydrophobicContact CE2-CG 3.86Å; F98-Y138 HydrophobicContact CZ-CG 4.39Å; F98-F140 HydrophobicContact CB-CD1 4.3Å; F98-F140 HydrophobicContact CB-CE1 4.09Å; F98-F140 HydrophobicContact CD2-CD1 4.38Å; F98-F140 AromaticContact CD2-CE1 3.72Å; F98-F140 HydrophobicContact CD2-CE1 3.72Å; F98-F140 AromaticContact CD2-CZ 3.96Å; F98-F140 HydrophobicContact CD2-CZ 3.96Å; F98-F140 HydrophobicContact CG-CE1 4.4Å; F98-L167 HydrophobicContact CE1-CD2 4.15Å; F98-L167 HydrophobicContact CE1-CG 4.38Å; F98-V168 WeakPolarHBondContact O-CA 3.1Å; F98-Q169 HydrophobicContact CB-CG 4.47Å; F98-Q169 HydrophobicContact CD1-CG 4.27Å; F98-Q169 PolarHBondContact N-O 3.14Å; F98-Q169 PolarHBondContact O-N 2.65Å; F98-Q169 VanDerWaalsContact O-N 3.11Å; F98-A171 HydrophobicContact CB-CB 4.18Å
99I96.9Very high91.4Very high2 Ų244.3 Ų44.31%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-123.895.8179.2-55.793.1000107.5L97 L102 L115 Y138 A139 C141 L167 V168L97-I99 HydrophobicContact CB-CD1 4.01Å; I99-L102 HydrophobicContact CG2-CD1 4.09Å; I99-L102 HydrophobicContact CG2-CD2 4Å; I99-L102 HydrophobicContact CG2-CG 4.05Å; I99-L115 HydrophobicContact CG1-CD2 4.26Å; I99-Y138 CarbonylContact O-C 3.52Å; I99-Y138 WeakPolarHBondContact O-CA 3.35Å; I99-Y138 WeakPolarHBondContact O-CB 3.46Å; I99-A139 HydrophobicContact CB-CB 4.47Å; I99-A139 PolarHBondContact N-O 3.06Å; I99-A139 PolarHBondContact O-N 3.28Å; I99-C141 HydrophobicContact CD1-CB 4.25Å; I99-L167 CarbonylContact C-O 3.59Å; I99-L167 WeakPolarHBondContact CA-O 3.17Å; I99-V168 HydrophobicContact CG1-CG1 4.31Å; I99-V168 HydrophobicContact CG1-CG2 4.39Å; I99-V168 HydrophobicContact CG2-CG2 4.09Å
100G96.1Very high91.3Very high4 Ų443.8 Ų43.84%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-97.3169.2176.900000112.9L102 L166 L167G100-L102 VanDerWaalsContact C-N 3.29Å; G100-L102 PolarHBondContact O-N 2.94Å; G100-L166 CarbonylContact O-C 3.53Å; G100-L166 WeakPolarHBondContact O-CA 3.26Å; G100-L167 PolarHBondContact N-O 3.22Å; G100-L167 PolarHBondContact O-N 2.81Å
101G92.8Very high91.3Very high29 Ų2943.2 Ų43.230%0.29924%0.238SC..  trans77.214.2176.400000114G137 K164G101-G137 PolarHBondContact N-O 2.92Å; G101-G137 VanDerWaalsContact N-O 3.09Å; G101-K164 WeakPolarHBondContact O-CB 3.08Å; G101-K164 WeakPolarHBondContact O-CD 3.3Å
102L93.6Very high91.4Very high1 Ų141.6 Ų41.61%0.00523%0.225CC..  trans-66.8133.5174.5-65.7165.6000109.6I99 G100 N104 V111 L126 G137 A139 L166I99-L102 HydrophobicContact CG2-CD1 4.09Å; I99-L102 HydrophobicContact CG2-CD2 4Å; I99-L102 HydrophobicContact CG2-CG 4.05Å; G100-L102 VanDerWaalsContact C-N 3.29Å; G100-L102 PolarHBondContact O-N 2.94Å; L102-N104 PolarHBondContact O-N 2.71Å; L102-V111 HydrophobicContact CD1-CG1 3.93Å; L102-V111 HydrophobicContact CD1-CG2 4.23Å; L102-V111 HydrophobicContact CD2-CG1 4.01Å; L102-V111 HydrophobicContact CD2-CG2 4.12Å; L102-L126 HydrophobicContact CD1-CD1 3.9Å; L102-G137 PolarHBondContact N-O 2.63Å; L102-G137 WeakPolarHBondContact O-CA 3.43Å; L102-A139 HydrophobicContact CD1-CB 3.76Å; L102-L166 HydrophobicContact CD2-CD2 3.77Å; L102-L166 HydrophobicContact CG-CD2 4.31Å
103P89.6Confident91.4Very high1 Ų139 Ų391%0.00621%0.209CC..  trans-58.9132.6169.4-23.431.9000111.9Y105 L106 L161 K164P103-Y105 HydrophobicContact CB-CD1 3.78Å; P103-Y105 HydrophobicContact CB-CD2 4.4Å; P103-Y105 HydrophobicContact CB-CE1 3.28Å; P103-Y105 HydrophobicContact CB-CE2 3.96Å; P103-Y105 HydrophobicContact CB-CG 4.32Å; P103-Y105 HydrophobicContact CG-CE1 4.23Å; P103-Y105 PolarHBondContact O-N 3.06Å; P103-L106 HydrophobicContact CB-CD1 4.48Å; P103-L106 HydrophobicContact CB-CG 4.3Å; P103-L106 HydrophobicContact CG-CD1 4.25Å; P103-L106 WeakPolarHBondContact O-CB 3.36Å; P103-L106 PolarHBondContact O-N 2.75Å; P103-L161 HydrophobicContact CG-CB 4.47Å; P103-L161 HydrophobicContact CG-CD2 4.42Å; P103-L161 HydrophobicContact CG-CG 4.07Å; P103-L161 WeakPolarHBondContact CG-O 3.5Å; P103-K164 HydrophobicContact CG-CD 4.42Å
104N88.7Confident91.4Very high90 Ų9037.7 Ų37.748%0.48120%0.2SC..THydrogen-bonded Turntrans-66.4-14.7-171.6-60.918.8000114L102 L106 S135L102-N104 PolarHBondContact O-N 2.71Å; N104-L106 VanDerWaalsContact C-N 3.33Å; N104-S135 PolarHBondContact ND2-O 3.37Å; N104-S135 WeakPolarHBondContact O-CB 3.46Å
105Y86.3Confident91.5Very high136 Ų13634.6 Ų34.653%0.53317%0.173SC..THydrogen-bonded Turntrans-80.5-12.5175.260.2-105.6000113.2P103P103-Y105 HydrophobicContact CB-CD1 3.78Å; P103-Y105 HydrophobicContact CB-CD2 4.4Å; P103-Y105 HydrophobicContact CB-CE1 3.28Å; P103-Y105 HydrophobicContact CB-CE2 3.96Å; P103-Y105 HydrophobicContact CB-CG 4.32Å; P103-Y105 HydrophobicContact CG-CE1 4.23Å; P103-Y105 PolarHBondContact O-N 3.06Å
106L88.6Confident91.3Very high11 Ų1135.2 Ų35.26%0.05818%0.182CC..  trans-73.8133.4175.8-64.1-179.6000110.4P103 N104 Q110 V111 L161P103-L106 HydrophobicContact CB-CD1 4.48Å; P103-L106 HydrophobicContact CB-CG 4.3Å; P103-L106 HydrophobicContact CG-CD1 4.25Å; P103-L106 WeakPolarHBondContact O-CB 3.36Å; P103-L106 PolarHBondContact O-N 2.75Å; N104-L106 VanDerWaalsContact C-N 3.33Å; L106-Q110 HydrophobicContact CD2-CB 4.26Å; L106-V111 HydrophobicContact CB-CG2 3.84Å; L106-V111 HydrophobicContact CD1-CG2 4.24Å; L106-L161 HydrophobicContact CD1-CD2 3.54Å; L106-L161 HydrophobicContact CD1-CG 4.34Å
107N89.2Confident90.9Very high70 Ų7035.2 Ų35.237%0.37418%0.184SC..  trans-91.9173173.969.438.8000111.7D109 Q110 V111N107-D109 VanDerWaalsContact C-N 3.28Å; N107-D109 PolarHBondContact O-N 3.04Å; N107-D109 PolarHBondContact OD1-N 3Å; N107-D109 VanDerWaalsContact OD1-N 3.07Å; N107-Q110 PolarHBondContact O-N 3.38Å; N107-Q110 WeakPolarHBondContact OD1-CG 3.43Å; N107-Q110 PolarHBondContact OD1-N 3.39Å; N107-V111 WeakPolarHBondContact O-CG2 3.26Å; N107-V111 PolarHBondContact O-N 2.99Å; N107-V111 VanDerWaalsContact O-N 3.14Å
108D89.5Confident90.5Very high34 Ų3436.4 Ų36.418%0.18219%0.189CC..Hα-helixtrans-57-40.9-177.6-56.3-117.8000112.4V111 K112 F124 K128D108-V111 PolarHBondContact O-N 3.23Å; D108-K112 WeakPolarHBondContact O-CB 3.22Å; D108-K112 VanDerWaalsContact O-CE 3.23Å; D108-K112 WeakPolarHBondContact O-CE 3.42Å; D108-K112 VanDerWaalsContact O-CG 3.29Å; D108-K112 WeakPolarHBondContact O-CG 3.25Å; D108-K112 PolarHBondContact O-N 2.89Å; D108-F124 HydrophobicContact CB-CE1 3.98Å; D108-K128 IonicContact OD1-NZ 3.65Å; D108-K128 WeakPolarHBondContact OD2-CE 3.46Å; D108-K128 IonicContact OD2-NZ 2.7Å; D108-K128 PolarHBondContact OD2-NZ 3.39Å
109D87.4Confident90.1Very high79 Ų7935.1 Ų35.142%0.42219%0.187SC..Hα-helixtrans-70.5-42.7-176.3-61.3-36.6000111.3N107 V111 K112 E113N107-D109 VanDerWaalsContact C-N 3.28Å; N107-D109 PolarHBondContact O-N 3.04Å; N107-D109 PolarHBondContact OD1-N 3Å; N107-D109 VanDerWaalsContact OD1-N 3.07Å; D109-V111 VanDerWaalsContact C-N 3.33Å; D109-V111 PolarHBondContact O-N 3.48Å; D109-K112 PolarHBondContact O-N 3.13Å; D109-K112 VanDerWaalsContact OD1-CE 3.27Å; D109-K112 WeakPolarHBondContact OD1-CE 3.41Å; D109-K112 IonicContact OD1-NZ 3.84Å; D109-K112 PolarHBondContact OD1-NZ 3.25Å; D109-E113 VanDerWaalsContact O-CB 3.31Å; D109-E113 WeakPolarHBondContact O-CB 3.38Å; D109-E113 PolarHBondContact O-N 3.39Å
110Q88.4Confident89.8Confident56 Ų5638.8 Ų38.826%0.26221%0.211SC..Hα-helixtrans-62.9-38.8175.9-70.6175-37.400112.6L106 N107 L114L106-Q110 HydrophobicContact CD2-CB 4.26Å; N107-Q110 PolarHBondContact O-N 3.38Å; N107-Q110 WeakPolarHBondContact OD1-CG 3.43Å; N107-Q110 PolarHBondContact OD1-N 3.39Å; Q110-L114 PolarHBondContact O-N 2.99Å; Q110-L114 VanDerWaalsContact O-N 3.17Å
111V92.3Very high89.7Confident0 Ų038.8 Ų38.80%021%0.21CC..Hα-helixtrans-73.7-38.8176.6-177.10000110.7L102 L106 N107 D108 D109 E113 L114 L115 F124 L126L102-V111 HydrophobicContact CD1-CG1 3.93Å; L102-V111 HydrophobicContact CD1-CG2 4.23Å; L102-V111 HydrophobicContact CD2-CG1 4.01Å; L102-V111 HydrophobicContact CD2-CG2 4.12Å; L106-V111 HydrophobicContact CB-CG2 3.84Å; L106-V111 HydrophobicContact CD1-CG2 4.24Å; N107-V111 WeakPolarHBondContact O-CG2 3.26Å; N107-V111 PolarHBondContact O-N 2.99Å; N107-V111 VanDerWaalsContact O-N 3.14Å; D108-V111 PolarHBondContact O-N 3.23Å; D109-V111 VanDerWaalsContact C-N 3.33Å; D109-V111 PolarHBondContact O-N 3.48Å; V111-E113 VanDerWaalsContact C-N 3.34Å; V111-L114 WeakPolarHBondContact O-CB 3.24Å; V111-L114 PolarHBondContact O-N 2.89Å; V111-L115 HydrophobicContact CG1-CD1 4.09Å; V111-L115 HydrophobicContact CG1-CG 4.46Å; V111-L115 VanDerWaalsContact O-CG 3.25Å; V111-L115 WeakPolarHBondContact O-CG 3.36Å; V111-L115 PolarHBondContact O-N 3.18Å; V111-F124 HydrophobicContact CB-CE2 4.24Å; V111-F124 HydrophobicContact CB-CZ 3.85Å; V111-F124 HydrophobicContact CG1-CE2 3.7Å; V111-F124 HydrophobicContact CG1-CZ 3.78Å; V111-L126 HydrophobicContact CG2-CD1 4.49Å
112K91.2Very high89.7Confident30 Ų3041.7 Ų41.713%0.1321%0.214CC..Hα-helixtrans-61.4-42.8173.7-81.1-179.3-74.3161.10111.6D108 D109 L115 T116 L121 F124D108-K112 WeakPolarHBondContact O-CB 3.22Å; D108-K112 VanDerWaalsContact O-CE 3.23Å; D108-K112 WeakPolarHBondContact O-CE 3.42Å; D108-K112 VanDerWaalsContact O-CG 3.29Å; D108-K112 WeakPolarHBondContact O-CG 3.25Å; D108-K112 PolarHBondContact O-N 2.89Å; D109-K112 PolarHBondContact O-N 3.13Å; D109-K112 VanDerWaalsContact OD1-CE 3.27Å; D109-K112 WeakPolarHBondContact OD1-CE 3.41Å; D109-K112 IonicContact OD1-NZ 3.84Å; D109-K112 PolarHBondContact OD1-NZ 3.25Å; K112-L115 PolarHBondContact O-N 2.95Å; K112-T116 WeakPolarHBondContact O-CB 3.13Å; K112-T116 PolarHBondContact O-N 3.45Å; K112-T116 PolarHBondContact O-OG1 2.88Å; K112-L121 HydrophobicContact CB-CD1 4.22Å; K112-L121 HydrophobicContact CG-CD1 3.95Å; K112-F124 HydrophobicContact CD-CB 4.34Å; K112-F124 HydrophobicContact CD-CD1 3.66Å; K112-F124 HydrophobicContact CD-CE1 4.21Å; K112-F124 HydrophobicContact CD-CG 4.08Å; K112-F124 HydrophobicContact CG-CB 4.13Å; K112-F124 HydrophobicContact CG-CD1 3.39Å; K112-F124 HydrophobicContact CG-CD2 3.99Å; K112-F124 HydrophobicContact CG-CE1 3.69Å; K112-F124 HydrophobicContact CG-CE2 4.26Å; K112-F124 HydrophobicContact CG-CG 3.54Å; K112-F124 HydrophobicContact CG-CZ 4.11Å
113E87.9Confident89.7Confident62 Ų6241.7 Ų41.729%0.2921%0.214SC..Hα-helixtrans-59.6-48.9177.8-176.2170.6-143.800110.6D109 V111 L115 T116 S117 N214 R289D109-E113 VanDerWaalsContact O-CB 3.31Å; D109-E113 WeakPolarHBondContact O-CB 3.38Å; D109-E113 PolarHBondContact O-N 3.39Å; V111-E113 VanDerWaalsContact C-N 3.34Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 2.85Å; E113-T116 PolarHBondContact O-N 3.27Å; E113-S117 PolarHBondContact O-OG 2.9Å; E113-N214 WeakPolarHBondContact CG-OD1 3.25Å; E113-N214 PolarHBondContact O-OD1 2.95Å; E113-R289 WeakPolarHBondContact OE1-CD 3.44Å; E113-R289 VanDerWaalsContact OE1-CG 3.25Å; E113-R289 WeakPolarHBondContact OE1-CG 3.41Å; E113-R289 IonicContact OE1-NE 2.74Å; E113-R289 PolarHBondContact OE1-NE 3.32Å
114L89.4Confident90.1Very high3 Ų342 Ų422%0.01622%0.216CC..Hα-helixtrans-52.5-48.7172.7174.364.9000112.7Q110 V111 S117 L156 M159 L161 L166 V290 V292Q110-L114 PolarHBondContact O-N 2.99Å; Q110-L114 VanDerWaalsContact O-N 3.17Å; V111-L114 WeakPolarHBondContact O-CB 3.24Å; V111-L114 PolarHBondContact O-N 2.89Å; L114-S117 VanDerWaalsContact O-CB 3.3Å; L114-S117 WeakPolarHBondContact O-CB 3.24Å; L114-S117 PolarHBondContact O-OG 3.48Å; L114-L156 HydrophobicContact CD1-CD2 4.15Å; L114-L156 HydrophobicContact CG-CD2 4.28Å; L114-M159 HydrophobicContact CD1-CE 3.93Å; L114-M159 HydrophobicContact CD1-SD 4.48Å; L114-M159 HydrophobicContact CD2-CE 4.15Å; L114-L161 HydrophobicContact CD2-CD2 4.15Å; L114-L166 HydrophobicContact CD2-CD1 4.04Å; L114-V290 HydrophobicContact CD1-CB 4.21Å; L114-V290 HydrophobicContact CD1-CG1 4.03Å; L114-V292 HydrophobicContact CD1-CG2 3.16Å; L114-V292 HydrophobicContact CG-CG2 4.5Å
115L92.2Very high90.4Very high1 Ų140 Ų401%0.00521%0.205CC..Hα-helixtrans-71.1-34.3-177.7-65.3171.5000112.8I99 V111 K112 E113 S117 F118 L121 F124 C141 Y143 L156I99-L115 HydrophobicContact CG1-CD2 4.26Å; V111-L115 HydrophobicContact CG1-CD1 4.09Å; V111-L115 HydrophobicContact CG1-CG 4.46Å; V111-L115 VanDerWaalsContact O-CG 3.25Å; V111-L115 WeakPolarHBondContact O-CG 3.36Å; V111-L115 PolarHBondContact O-N 3.18Å; K112-L115 PolarHBondContact O-N 2.95Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 2.85Å; L115-S117 PolarHBondContact O-N 3.44Å; L115-S117 VanDerWaalsContact O-N 3.16Å; L115-F118 PolarHBondContact O-N 3.03Å; L115-F118 VanDerWaalsContact O-N 3.13Å; L115-L121 HydrophobicContact CB-CD1 4.07Å; L115-L121 HydrophobicContact CB-CD2 4.15Å; L115-L121 HydrophobicContact CD1-CD1 4.42Å; L115-F124 HydrophobicContact CD1-CD2 3.67Å; L115-F124 HydrophobicContact CD1-CE2 3.58Å; L115-C141 HydrophobicContact CD1-CB 4.14Å; L115-Y143 WeakPolarHBondContact O-CE1 3.5Å; L115-Y143 PolarHBondContact O-OH 3.39Å; L115-Y143 VanDerWaalsContact O-OH 3.05Å; L115-L156 HydrophobicContact CD2-CD1 3.62Å
116T89.9Confident90.8Very high72 Ų7233.7 Ų33.744%0.44218%0.18SC..Hα-helixtrans-65-21.2-177.1-59.50000112.4K112 E113 F118 G119K112-T116 WeakPolarHBondContact O-CB 3.13Å; K112-T116 PolarHBondContact O-N 3.45Å; K112-T116 PolarHBondContact O-OG1 2.88Å; E113-T116 PolarHBondContact O-N 3.27Å; T116-F118 PolarHBondContact O-N 3.07Å; T116-F118 VanDerWaalsContact O-N 3.07Å; T116-G119 WeakPolarHBondContact CA-O 3.46Å; T116-G119 PolarHBondContact O-N 3.13Å
117S85.9Confident91.1Very high20 Ų2034.2 Ų34.214%0.1418%0.184CC..THydrogen-bonded Turntrans-52.3-26.7171-44.80000114.8E113 L114 L115 N214E113-S117 PolarHBondContact O-OG 2.9Å; L114-S117 VanDerWaalsContact O-CB 3.3Å; L114-S117 WeakPolarHBondContact O-CB 3.24Å; L114-S117 PolarHBondContact O-OG 3.48Å; L115-S117 PolarHBondContact O-N 3.44Å; L115-S117 VanDerWaalsContact O-N 3.16Å; S117-N214 WeakPolarHBondContact OG-CB 3.38Å; S117-N214 PolarHBondContact OG-OD1 3.23Å
118F88.3Confident91.2Very high26 Ų2634.8 Ų34.811%0.11418%0.183CC..THydrogen-bonded Turntrans-94.3-28.3177.6-68.7-89.8000112.6L115 T116 Y143 V148 A152 L156 V292L115-F118 PolarHBondContact O-N 3.03Å; L115-F118 VanDerWaalsContact O-N 3.13Å; T116-F118 PolarHBondContact O-N 3.07Å; T116-F118 VanDerWaalsContact O-N 3.07Å; F118-Y143 HydrophobicContact CB-CE1 4.22Å; F118-V148 HydrophobicContact CB-CG1 3.61Å; F118-V148 WeakPolarHBondContact O-CG1 3.41Å; F118-A152 HydrophobicContact CB-CB 4.1Å; F118-A152 HydrophobicContact CD1-CB 4.06Å; F118-A152 HydrophobicContact CD2-CB 4.36Å; F118-A152 HydrophobicContact CG-CB 3.9Å; F118-L156 HydrophobicContact CD2-CD1 4.03Å; F118-L156 HydrophobicContact CD2-CG 4.24Å; F118-L156 HydrophobicContact CE2-CD1 3.71Å; F118-L156 HydrophobicContact CE2-CD2 3.61Å; F118-L156 HydrophobicContact CE2-CG 3.42Å; F118-L156 VanDerWaalsContact CE2-CG 3.42Å; F118-L156 HydrophobicContact CZ-CD1 4.42Å; F118-L156 HydrophobicContact CZ-CD2 4.15Å; F118-L156 HydrophobicContact CZ-CG 3.79Å; F118-V292 HydrophobicContact CE2-CG1 3.82Å; F118-V292 HydrophobicContact CZ-CG1 3.68Å
119G88.5Confident91.2Very high11 Ų1135.6 Ų35.611%0.11319%0.187CC..SBendtrans165168.917900000113T116 L121 Y143T116-G119 WeakPolarHBondContact CA-O 3.46Å; T116-G119 PolarHBondContact O-N 3.13Å; G119-L121 PolarHBondContact O-N 3.38Å; G119-Y143 WeakPolarHBondContact O-CD1 3.47Å; G119-Y143 VanDerWaalsContact O-CE1 3.3Å; G119-Y143 WeakPolarHBondContact O-CE1 3.39Å
120P90.8Very high91.1Very high78 Ų7838 Ų3851%0.50621%0.21SC..  trans-63.9135.5179.824.7-32.3000111.6V144P120-V144 HydrophobicContact CB-CG2 4.16Å; P120-V144 HydrophobicContact CG-CB 4.17Å; P120-V144 HydrophobicContact CG-CG2 4.31Å; P120-V144 PolarHBondContact O-N 2.96Å
121L93.6Very high91Very high5 Ų539.7 Ų39.73%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-82.9130.8177.9-64.4172.9000110.6V86 K112 L115 G119 F124 C141 Y143V86-L121 HydrophobicContact CG1-CB 3.67Å; V86-L121 HydrophobicContact CG2-CB 4.08Å; K112-L121 HydrophobicContact CB-CD1 4.22Å; K112-L121 HydrophobicContact CG-CD1 3.95Å; L115-L121 HydrophobicContact CB-CD1 4.07Å; L115-L121 HydrophobicContact CB-CD2 4.15Å; L115-L121 HydrophobicContact CD1-CD1 4.42Å; G119-L121 PolarHBondContact O-N 3.38Å; L121-F124 HydrophobicContact CD1-CB 4.19Å; L121-F124 HydrophobicContact CD1-CD2 4.38Å; L121-F124 HydrophobicContact CD1-CG 4.49Å; L121-C141 HydrophobicContact CD2-CB 4.01Å; L121-Y143 HydrophobicContact CD2-CD1 3.7Å; L121-Y143 HydrophobicContact CD2-CE1 3.51Å; L121-Y143 HydrophobicContact CD2-CG 4.39Å; L121-Y143 HydrophobicContact CG-CE1 4.43Å
122K92.8Very high90.8Very high90 Ų9044 Ų4439%0.39126%0.26SS..EExtended strand (participates in β ladder)trans-80.3-41.7168.7176.6-177.8172-169.30110.5S87 E142 V144S87-K122 PolarHBondContact N-O 2.79Å; S87-K122 VanDerWaalsContact N-O 3.12Å; K122-E142 WeakPolarHBondContact CB-O 3.42Å; K122-E142 HydrophobicContact CD-CG 4.43Å; K122-E142 WeakPolarHBondContact CD-OE1 3.27Å; K122-E142 PolarHBondContact N-O 3.33Å; K122-E142 IonicContact NZ-OE1 2.93Å; K122-E142 PolarHBondContact NZ-OE1 3.41Å; K122-V144 HydrophobicContact CB-CG2 3.95Å
123A94.2Very high90.5Very high1 Ų144.6 Ų44.61%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-148.1146.7179.700000111.3S87 V89 V90 C141 E142S87-A123 CarbonylContact O-C 3.58Å; S87-A123 VanDerWaalsContact O-CA 3.23Å; S87-A123 WeakPolarHBondContact O-CA 3.4Å; V89-A123 VanDerWaalsContact O-CB 3.25Å; V89-A123 WeakPolarHBondContact O-CB 3.46Å; V90-A123 HydrophobicContact CB-CB 4.28Å; V90-A123 HydrophobicContact CG1-CB 4.33Å; V90-A123 HydrophobicContact CG2-CB 3.92Å; A123-C141 CarbonylContact O-C 3.55Å; A123-C141 WeakPolarHBondContact O-CA 3.21Å; A123-C141 WeakPolarHBondContact O-CB 3.36Å; A123-E142 PolarHBondContact N-O 2.78Å; A123-E142 VanDerWaalsContact N-O 3.14Å; A123-E142 PolarHBondContact O-N 2.81Å
124F96.4Very high90.5Very high8 Ų847.1 Ų47.14%0.03529%0.29CS..EExtended strand (participates in β ladder)trans-149.3139.8178.8174.3-95.8000111.2V86 S87 T88 D108 V111 K112 L115 L121 L126 A139 F140 C141V86-F124 HydrophobicContact CG1-CB 3.66Å; S87-F124 PolarHBondContact O-N 2.99Å; T88-F124 WeakPolarHBondContact CA-O 3.47Å; D108-F124 HydrophobicContact CB-CE1 3.98Å; V111-F124 HydrophobicContact CB-CE2 4.24Å; V111-F124 HydrophobicContact CB-CZ 3.85Å; V111-F124 HydrophobicContact CG1-CE2 3.7Å; V111-F124 HydrophobicContact CG1-CZ 3.78Å; K112-F124 HydrophobicContact CD-CB 4.34Å; K112-F124 HydrophobicContact CD-CD1 3.66Å; K112-F124 HydrophobicContact CD-CE1 4.21Å; K112-F124 HydrophobicContact CD-CG 4.08Å; K112-F124 HydrophobicContact CG-CB 4.13Å; K112-F124 HydrophobicContact CG-CD1 3.39Å; K112-F124 HydrophobicContact CG-CD2 3.99Å; K112-F124 HydrophobicContact CG-CE1 3.69Å; K112-F124 HydrophobicContact CG-CE2 4.26Å; K112-F124 HydrophobicContact CG-CG 3.54Å; K112-F124 HydrophobicContact CG-CZ 4.11Å; L115-F124 HydrophobicContact CD1-CD2 3.67Å; L115-F124 HydrophobicContact CD1-CE2 3.58Å; L121-F124 HydrophobicContact CD1-CB 4.19Å; L121-F124 HydrophobicContact CD1-CD2 4.38Å; L121-F124 HydrophobicContact CD1-CG 4.49Å; F124-L126 HydrophobicContact CE1-CB 3.84Å; F124-L126 HydrophobicContact CZ-CB 3.81Å; F124-A139 HydrophobicContact CE2-CB 3.78Å; F124-A139 HydrophobicContact CZ-CB 4.08Å; F124-F140 CarbonylContact C-O 3.44Å; F124-F140 WeakPolarHBondContact CA-O 3.12Å; F124-C141 HydrophobicContact CD2-CB 4.05Å
125N95.4Very high90.6Very high48 Ų4847.4 Ų47.426%0.25729%0.292SS..EExtended strand (participates in β ladder)trans-146.4111.1172.6-17936.1000110.8V90 A139 F140V90-N125 HydrophobicContact CG2-CB 3.96Å; N125-A139 CarbonylContact O-C 3.47Å; N125-A139 WeakPolarHBondContact O-CA 3.25Å; N125-A139 WeakPolarHBondContact O-CB 3.5Å; N125-F140 PolarHBondContact N-O 3.4Å; N125-F140 PolarHBondContact O-N 3.08Å
126L95.3Very high90.7Very high2 Ų252.3 Ų52.31%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-79.1118166.5-177.761.6000109L102 V111 F124 K128 A139L102-L126 HydrophobicContact CD1-CD1 3.9Å; V111-L126 HydrophobicContact CG2-CD1 4.49Å; F124-L126 HydrophobicContact CE1-CB 3.84Å; F124-L126 HydrophobicContact CZ-CB 3.81Å; L126-K128 PolarHBondContact O-N 2.75Å; L126-A139 HydrophobicContact CD1-CB 4.01Å
127V93.9Very high90.9Very high22 Ų2249.2 Ų49.213%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-78.9121.4-176-173.10000109.9K136 Y138 F140V127-K136 HydrophobicContact CG1-CD 4.12Å; V127-K136 HydrophobicContact CG1-CG 4.49Å; V127-K136 WeakPolarHBondContact O-CB 3.48Å; V127-K136 PolarHBondContact O-N 2.97Å; V127-Y138 HydrophobicContact CB-CD2 4.05Å; V127-Y138 HydrophobicContact CB-CE1 4.12Å; V127-Y138 HydrophobicContact CB-CE2 3.61Å; V127-Y138 HydrophobicContact CG1-CE1 4.22Å; V127-Y138 HydrophobicContact CG1-CE2 4.01Å; V127-Y138 WeakPolarHBondContact CG1-OH 3.08Å; V127-Y138 HydrophobicContact CG2-CD2 3.8Å; V127-Y138 HydrophobicContact CG2-CE2 3.36Å; V127-Y138 PolarHBondContact N-O 3.41Å; V127-F140 HydrophobicContact CG2-CD2 3.95Å; V127-F140 HydrophobicContact CG2-CE2 3.96Å
128K92.2Very high91.4Very high83 Ų8351.2 Ų51.236%0.36130%0.301SS..EExtended strand (participates in β ladder)trans-113.5154.9179.4-66.1171.8178.9-1740111D108 L126 G133 L134D108-K128 IonicContact OD1-NZ 3.65Å; D108-K128 WeakPolarHBondContact OD2-CE 3.46Å; D108-K128 IonicContact OD2-NZ 2.7Å; D108-K128 PolarHBondContact OD2-NZ 3.39Å; L126-K128 PolarHBondContact O-N 2.75Å; K128-G133 WeakPolarHBondContact CD-O 3.43Å; K128-L134 CarbonylContact C-O 3.57Å; K128-L134 WeakPolarHBondContact CA-O 3.48Å; K128-L134 WeakPolarHBondContact CB-O 3.33Å
129D89.5Confident91.8Very high51 Ų5150 Ų5027%0.27330%0.295SS..  trans-70.7130.8168.1-179.1-95.3000110.3A131 T132 G133 L134 K136D129-A131 VanDerWaalsContact C-N 3.3Å; D129-A131 PolarHBondContact O-N 3.05Å; D129-A131 WeakPolarHBondContact OD1-CB 3.35Å; D129-A131 PolarHBondContact OD1-N 3.03Å; D129-T132 WeakPolarHBondContact CB-OG1 3.48Å; D129-T132 PolarHBondContact OD1-N 3.12Å; D129-T132 PolarHBondContact OD1-OG1 3.29Å; D129-G133 VanDerWaalsContact O-CA 3.23Å; D129-G133 WeakPolarHBondContact O-CA 3.3Å; D129-G133 PolarHBondContact O-N 3.33Å; D129-L134 PolarHBondContact N-O 3.13Å; D129-K136 VanDerWaalsContact CA-CE 3.48Å; D129-K136 HydrophobicContact CB-CG 4.47Å
130S84.5Confident92.3Very high128 Ų12851.6 Ų51.690%0.89530%0.299SS*.THydrogen-bonded Turntrans-73.3-22.5-173.354.80000113.4
131A86.7Confident92.6Very high93 Ų9347.9 Ų47.977%0.76928%0.275SS*.THydrogen-bonded Turntrans-86.2-39.3-179.900000111.6D129D129-A131 VanDerWaalsContact C-N 3.3Å; D129-A131 PolarHBondContact O-N 3.05Å; D129-A131 WeakPolarHBondContact OD1-CB 3.35Å; D129-A131 PolarHBondContact OD1-N 3.03Å
132T88.1Confident92.7Very high89 Ų8948.1 Ų48.155%0.54628%0.276SS..THydrogen-bonded Turntrans-104-17.1-173.760.40000114.1D129 L134D129-T132 WeakPolarHBondContact CB-OG1 3.48Å; D129-T132 PolarHBondContact OD1-N 3.12Å; D129-T132 PolarHBondContact OD1-OG1 3.29Å; T132-L134 PolarHBondContact O-N 2.83Å; T132-L134 PolarHBondContact OG1-N 2.71Å
133G84.6Confident92.8Very high44 Ų4443.9 Ų43.945%0.45426%0.258SS..  trans71.11.7-173.300000114.3K128 D129K128-G133 WeakPolarHBondContact CD-O 3.43Å; D129-G133 VanDerWaalsContact O-CA 3.23Å; D129-G133 WeakPolarHBondContact O-CA 3.3Å; D129-G133 PolarHBondContact O-N 3.33Å
134L88.1Confident92.6Very high114 Ų11447 Ų4760%0.59728%0.277SS*.  trans-78.2146.1-177.8-64.4176.8000111.6K128 D129 T132 K136K128-L134 CarbonylContact C-O 3.57Å; K128-L134 WeakPolarHBondContact CA-O 3.48Å; K128-L134 WeakPolarHBondContact CB-O 3.33Å; D129-L134 PolarHBondContact N-O 3.13Å; T132-L134 PolarHBondContact O-N 2.83Å; T132-L134 PolarHBondContact OG1-N 2.71Å; L134-K136 PolarHBondContact O-N 3.4Å
135S92.2Very high92.3Very high9 Ų950 Ų506%0.06329%0.293CS..EExtended strand (participates in β ladder)trans-61.1135.2175.4177.90000111.2N104 G137N104-S135 PolarHBondContact ND2-O 3.37Å; N104-S135 WeakPolarHBondContact O-CB 3.46Å; S135-G137 PolarHBondContact O-N 2.6Å; S135-G137 PolarHBondContact OG-N 3.37Å; S135-G137 VanDerWaalsContact OG-N 3.1Å
136K94.1Very high92.1Very high104 Ų10451.6 Ų51.645%0.45230%0.301SS..EExtended strand (participates in β ladder)trans-81.12.4171.2-62.6-164.6179-1760112.7V127 D129 L134 Y138V127-K136 HydrophobicContact CG1-CD 4.12Å; V127-K136 HydrophobicContact CG1-CG 4.49Å; V127-K136 WeakPolarHBondContact O-CB 3.48Å; V127-K136 PolarHBondContact O-N 2.97Å; D129-K136 VanDerWaalsContact CA-CE 3.48Å; D129-K136 HydrophobicContact CB-CG 4.47Å; L134-K136 PolarHBondContact O-N 3.4Å; K136-Y138 HydrophobicContact CB-CD1 3.81Å; K136-Y138 HydrophobicContact CB-CE1 3.5Å; K136-Y138 HydrophobicContact CD-CE1 4.17Å; K136-Y138 HydrophobicContact CG-CE1 4.44Å
137G93.8Very high91.8Very high7 Ų756.7 Ų56.77%0.07233%0.328CS..EExtended strand (participates in β ladder)trans78.820.1177.700000114.3G101 L102 S135G101-G137 PolarHBondContact N-O 2.92Å; G101-G137 VanDerWaalsContact N-O 3.09Å; L102-G137 PolarHBondContact N-O 2.63Å; L102-G137 WeakPolarHBondContact O-CA 3.43Å; S135-G137 PolarHBondContact O-N 2.6Å; S135-G137 PolarHBondContact OG-N 3.37Å; S135-G137 VanDerWaalsContact OG-N 3.1Å
138Y96.4Very high91.5Very high62 Ų6256.4 Ų56.424%0.24333%0.326CS..EExtended strand (participates in β ladder)trans-147.3154.4171.570-83.6000112.7F98 I99 V127 K136 F140F98-Y138 HydrophobicContact CD2-CD2 4.21Å; F98-Y138 AromaticContact CE2-CD2 3.58Å; F98-Y138 HydrophobicContact CE2-CD2 3.58Å; F98-Y138 HydrophobicContact CE2-CE2 4.39Å; F98-Y138 AromaticContact CE2-CG 3.86Å; F98-Y138 HydrophobicContact CE2-CG 3.86Å; F98-Y138 HydrophobicContact CZ-CG 4.39Å; I99-Y138 CarbonylContact O-C 3.52Å; I99-Y138 WeakPolarHBondContact O-CA 3.35Å; I99-Y138 WeakPolarHBondContact O-CB 3.46Å; V127-Y138 HydrophobicContact CB-CD2 4.05Å; V127-Y138 HydrophobicContact CB-CE1 4.12Å; V127-Y138 HydrophobicContact CB-CE2 3.61Å; V127-Y138 HydrophobicContact CG1-CE1 4.22Å; V127-Y138 HydrophobicContact CG1-CE2 4.01Å; V127-Y138 WeakPolarHBondContact CG1-OH 3.08Å; V127-Y138 HydrophobicContact CG2-CD2 3.8Å; V127-Y138 HydrophobicContact CG2-CE2 3.36Å; V127-Y138 PolarHBondContact N-O 3.41Å; K136-Y138 HydrophobicContact CB-CD1 3.81Å; K136-Y138 HydrophobicContact CB-CE1 3.5Å; K136-Y138 HydrophobicContact CD-CE1 4.17Å; K136-Y138 HydrophobicContact CG-CE1 4.44Å; Y138-F140 HydrophobicContact CD2-CE2 4.03Å; Y138-F140 HydrophobicContact CD2-CZ 4.39Å; Y138-F140 AromaticContact CE2-CE2 3.7Å; Y138-F140 HydrophobicContact CE2-CE2 3.7Å; Y138-F140 HydrophobicContact CE2-CZ 4.17Å
139A97.3Very high91.4Very high0 Ų052.4 Ų52.40%031%0.309CS..EExtended strand (participates in β ladder)trans-134.6164.5178.200000111.1I99 L102 F124 N125 L126I99-A139 HydrophobicContact CB-CB 4.47Å; I99-A139 PolarHBondContact N-O 3.06Å; I99-A139 PolarHBondContact O-N 3.28Å; L102-A139 HydrophobicContact CD1-CB 3.76Å; F124-A139 HydrophobicContact CE2-CB 3.78Å; F124-A139 HydrophobicContact CZ-CB 4.08Å; N125-A139 CarbonylContact O-C 3.47Å; N125-A139 WeakPolarHBondContact O-CA 3.25Å; N125-A139 WeakPolarHBondContact O-CB 3.5Å; L126-A139 HydrophobicContact CD1-CB 4.01Å
140F97.6Very high91.3Very high45 Ų4554 Ų5420%0.19732%0.317CS..EExtended strand (participates in β ladder)trans-118.6147.9165-63.1-83.2000109.7V90 K96 L97 F98 F124 N125 V127 Y138 A171V90-F140 HydrophobicContact CB-CB 4.06Å; V90-F140 HydrophobicContact CG1-CB 4.2Å; V90-F140 HydrophobicContact CG2-CB 3.98Å; K96-F140 HydrophobicContact CD-CD1 4.41Å; K96-F140 VanDerWaalsContact CE-CD1 3.43Å; K96-F140 HydrophobicContact CG-CD1 4.39Å; L97-F140 VanDerWaalsContact O-CA 3.23Å; L97-F140 WeakPolarHBondContact O-CA 3.26Å; L97-F140 WeakPolarHBondContact O-CD1 3.48Å; F98-F140 HydrophobicContact CB-CD1 4.3Å; F98-F140 HydrophobicContact CB-CE1 4.09Å; F98-F140 HydrophobicContact CD2-CD1 4.38Å; F98-F140 AromaticContact CD2-CE1 3.72Å; F98-F140 HydrophobicContact CD2-CE1 3.72Å; F98-F140 AromaticContact CD2-CZ 3.96Å; F98-F140 HydrophobicContact CD2-CZ 3.96Å; F98-F140 HydrophobicContact CG-CE1 4.4Å; F124-F140 CarbonylContact C-O 3.44Å; F124-F140 WeakPolarHBondContact CA-O 3.12Å; N125-F140 PolarHBondContact N-O 3.4Å; N125-F140 PolarHBondContact O-N 3.08Å; V127-F140 HydrophobicContact CG2-CD2 3.95Å; V127-F140 HydrophobicContact CG2-CE2 3.96Å; Y138-F140 HydrophobicContact CD2-CE2 4.03Å; Y138-F140 HydrophobicContact CD2-CZ 4.39Å; Y138-F140 AromaticContact CE2-CE2 3.7Å; Y138-F140 HydrophobicContact CE2-CE2 3.7Å; Y138-F140 HydrophobicContact CE2-CZ 4.17Å; F140-A171 HydrophobicContact CD1-CB 4.15Å; F140-A171 HydrophobicContact CE1-CB 4.07Å
141C97.3Very high91.4Very high0 Ų051.2 Ų51.20%029%0.29CS..EExtended strand (participates in β ladder)trans-149.2165.316976.70000112.5L97 I99 L115 L121 A123 F124L97-C141 PolarHBondContact N-O 3.23Å; L97-C141 PolarHBondContact O-N 3.41Å; L97-C141 VanDerWaalsContact O-N 3.14Å; I99-C141 HydrophobicContact CD1-CB 4.25Å; L115-C141 HydrophobicContact CD1-CB 4.14Å; L121-C141 HydrophobicContact CD2-CB 4.01Å; A123-C141 CarbonylContact O-C 3.55Å; A123-C141 WeakPolarHBondContact O-CA 3.21Å; A123-C141 WeakPolarHBondContact O-CB 3.36Å; F124-C141 HydrophobicContact CD2-CB 4.05Å
142E95.2Very high91.5Very high10 Ų1046.8 Ų46.85%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-139.4134.8166.7-172.9173.4124.500107.5V90 S93 H95 K122 A123V90-E142 HydrophobicContact CG1-CB 4.25Å; S93-E142 WeakPolarHBondContact CB-OE2 3.23Å; S93-E142 PolarHBondContact OG-OE2 3.11Å; H95-E142 HydrophobicContact CB-CG 4.35Å; K122-E142 WeakPolarHBondContact CB-O 3.42Å; K122-E142 HydrophobicContact CD-CG 4.43Å; K122-E142 WeakPolarHBondContact CD-OE1 3.27Å; K122-E142 PolarHBondContact N-O 3.33Å; K122-E142 IonicContact NZ-OE1 2.93Å; K122-E142 PolarHBondContact NZ-OE1 3.41Å; A123-E142 PolarHBondContact N-O 2.78Å; A123-E142 VanDerWaalsContact N-O 3.14Å; A123-E142 PolarHBondContact O-N 2.81Å
143Y95.4Very high91.6Very high2 Ų244.1 Ų44.11%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-81.9156.3176.8-70.2-78.3000111L97 L115 F118 G119 L121 D145 V148 A152L97-Y143 HydrophobicContact CD1-CD2 4.16Å; L97-Y143 HydrophobicContact CD1-CE2 3.69Å; L115-Y143 WeakPolarHBondContact O-CE1 3.5Å; L115-Y143 PolarHBondContact O-OH 3.39Å; L115-Y143 VanDerWaalsContact O-OH 3.05Å; F118-Y143 HydrophobicContact CB-CE1 4.22Å; G119-Y143 WeakPolarHBondContact O-CD1 3.47Å; G119-Y143 VanDerWaalsContact O-CE1 3.3Å; G119-Y143 WeakPolarHBondContact O-CE1 3.39Å; L121-Y143 HydrophobicContact CD2-CD1 3.7Å; L121-Y143 HydrophobicContact CD2-CE1 3.51Å; L121-Y143 HydrophobicContact CD2-CG 4.39Å; L121-Y143 HydrophobicContact CG-CE1 4.43Å; Y143-D145 WeakPolarHBondContact CB-O 3.45Å; Y143-V148 HydrophobicContact CD1-CG1 4.08Å; Y143-V148 HydrophobicContact CD2-CG1 4.15Å; Y143-V148 HydrophobicContact CE1-CG1 4.23Å; Y143-V148 HydrophobicContact CE2-CG1 4.28Å; Y143-V148 HydrophobicContact CG-CB 4.36Å; Y143-V148 HydrophobicContact CG-CG1 4.05Å; Y143-A152 HydrophobicContact CE2-CB 3.53Å
144V91.2Very high91.6Very high67 Ų6744.6 Ų44.641%0.40624%0.235SC..SBendtrans-65.9-45.9170.9178.30000110Y81 P120 K122Y81-V144 HydrophobicContact CE2-CG2 4.42Å; P120-V144 HydrophobicContact CB-CG2 4.16Å; P120-V144 HydrophobicContact CG-CB 4.17Å; P120-V144 HydrophobicContact CG-CG2 4.31Å; P120-V144 PolarHBondContact O-N 2.96Å; K122-V144 HydrophobicContact CB-CG2 3.95Å
145D90.4Very high91.3Very high70 Ų7039.4 Ų39.437%0.37421%0.21SC..SBendtrans-90.9118.5172.3-175.20.5000110.7Y143 N147 V148Y143-D145 WeakPolarHBondContact CB-O 3.45Å; D145-N147 PolarHBondContact O-N 2.96Å; D145-N147 WeakPolarHBondContact OD1-CB 3.35Å; D145-N147 PolarHBondContact OD1-N 2.77Å; D145-N147 PolarHBondContact OD1-ND2 3.26Å; D145-V148 HydrophobicContact CB-CG2 3.97Å; D145-V148 WeakPolarHBondContact O-CB 3.38Å; D145-V148 PolarHBondContact O-N 3.49Å
146I89.9Confident91.2Very high81 Ų8139 Ų3942%0.41521%0.207SC..THydrogen-bonded Turntrans-68.2-22.4179.461.1171.2000113.2H95 V148 T149H95-I146 HydrophobicContact CB-CG2 4.46Å; I146-V148 PolarHBondContact O-N 3.02Å; I146-T149 WeakPolarHBondContact O-CB 3.17Å; I146-T149 PolarHBondContact O-N 2.87Å; I146-T149 PolarHBondContact O-OG1 3.05Å
147N88.6Confident90.9Very high109 Ų10936.8 Ų36.858%0.58320%0.2SC*.THydrogen-bonded Turntrans-72.5-22.1-179.3-59.3-59.9000111.8D145 T149D145-N147 PolarHBondContact O-N 2.96Å; D145-N147 WeakPolarHBondContact OD1-CB 3.35Å; D145-N147 PolarHBondContact OD1-N 2.77Å; D145-N147 PolarHBondContact OD1-ND2 3.26Å; N147-T149 VanDerWaalsContact C-N 3.3Å
148V89.1Confident90.5Very high16 Ų1637.4 Ų37.410%0.09721%0.206CC..Hα-helixtrans-72.1-26.2176.3175.60000111.6F118 Y143 D145 I146 D150 Q151 A152F118-V148 HydrophobicContact CB-CG1 3.61Å; F118-V148 WeakPolarHBondContact O-CG1 3.41Å; Y143-V148 HydrophobicContact CD1-CG1 4.08Å; Y143-V148 HydrophobicContact CD2-CG1 4.15Å; Y143-V148 HydrophobicContact CE1-CG1 4.23Å; Y143-V148 HydrophobicContact CE2-CG1 4.28Å; Y143-V148 HydrophobicContact CG-CB 4.36Å; Y143-V148 HydrophobicContact CG-CG1 4.05Å; D145-V148 HydrophobicContact CB-CG2 3.97Å; D145-V148 WeakPolarHBondContact O-CB 3.38Å; D145-V148 PolarHBondContact O-N 3.49Å; I146-V148 PolarHBondContact O-N 3.02Å; V148-D150 PolarHBondContact O-N 3.32Å; V148-Q151 WeakPolarHBondContact O-CB 3.49Å; V148-Q151 PolarHBondContact O-N 3.25Å; V148-Q151 VanDerWaalsContact O-N 3.08Å; V148-A152 PolarHBondContact O-N 3.45Å
149T90.1Very high90Very high0 Ų034.5 Ų34.50%020%0.195CC..Hα-helixtrans-53.3-48.4-174-59.30000112.9L97 I146 N147 A152 I153L97-T149 HydrophobicContact CD1-CG2 4.24Å; L97-T149 HydrophobicContact CD2-CG2 3.66Å; L97-T149 HydrophobicContact CG-CG2 4.04Å; I146-T149 WeakPolarHBondContact O-CB 3.17Å; I146-T149 PolarHBondContact O-N 2.87Å; I146-T149 PolarHBondContact O-OG1 3.05Å; N147-T149 VanDerWaalsContact C-N 3.3Å; T149-A152 PolarHBondContact O-N 3.45Å; T149-I153 HydrophobicContact CG2-CD1 4.31Å; T149-I153 WeakPolarHBondContact O-CG1 3.25Å; T149-I153 PolarHBondContact O-N 3.14Å; T149-I153 VanDerWaalsContact O-N 3.07Å
150D87.3Confident89.2Confident83 Ų8338 Ų3844%0.44421%0.211SC..Hα-helixtrans-70-34.9-178.9-71.5-56.5000112V148 I153 A154 R170V148-D150 PolarHBondContact O-N 3.32Å; D150-I153 PolarHBondContact O-N 3.41Å; D150-A154 WeakPolarHBondContact O-CB 3.36Å; D150-A154 PolarHBondContact O-N 3.4Å; D150-R170 IonicContact OD1-CZ 3.91Å; D150-R170 IonicContact OD1-NH1 2.69Å; D150-R170 PolarHBondContact OD1-NH1 2.98Å; D150-R170 IonicContact OD1-NH2 2.65Å; D150-R170 PolarHBondContact OD1-NH2 2.94Å; D150-R170 IonicContact OD2-CZ 3.92Å; D150-R170 IonicContact OD2-NH2 2.74Å; D150-R170 PolarHBondContact OD2-NH2 3.34Å
151Q85.6Confident88.5Confident71 Ų7136.1 Ų36.133%0.33220%0.203SC..Hα-helixtrans-66.1-42.6175.7-53.1-166.132.900111.8V148 A154 G155 K294V148-Q151 WeakPolarHBondContact O-CB 3.49Å; V148-Q151 PolarHBondContact O-N 3.25Å; V148-Q151 VanDerWaalsContact O-N 3.08Å; Q151-A154 PolarHBondContact O-N 3.02Å; Q151-G155 PolarHBondContact O-N 3.27Å; Q151-K294 VanDerWaalsContact OE1-NZ 3.13Å
152A89.3Confident87.7Confident0 Ų038.4 Ų38.40%023%0.227CC..Hα-helixtrans-63.3-41.1176.200000111.7L97 F118 Y143 V148 T149 L156L97-A152 HydrophobicContact CD1-CB 4.36Å; F118-A152 HydrophobicContact CB-CB 4.1Å; F118-A152 HydrophobicContact CD1-CB 4.06Å; F118-A152 HydrophobicContact CD2-CB 4.36Å; F118-A152 HydrophobicContact CG-CB 3.9Å; Y143-A152 HydrophobicContact CE2-CB 3.53Å; V148-A152 PolarHBondContact O-N 3.45Å; T149-A152 PolarHBondContact O-N 3.45Å; A152-L156 VanDerWaalsContact O-CB 3.24Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 WeakPolarHBondContact O-CG 3.23Å; A152-L156 PolarHBondContact O-N 3.1Å
153I89.6Confident87.2Confident32 Ų3243.9 Ų43.916%0.16426%0.257CS..Hα-helixtrans-60.5-49.8173.1-67.8166.2000110.2L97 T149 D150 G155 N157 V168 R170L97-I153 HydrophobicContact CD2-CD1 3.61Å; L97-I153 HydrophobicContact CD2-CG1 3.58Å; T149-I153 HydrophobicContact CG2-CD1 4.31Å; T149-I153 WeakPolarHBondContact O-CG1 3.25Å; T149-I153 PolarHBondContact O-N 3.14Å; T149-I153 VanDerWaalsContact O-N 3.07Å; D150-I153 PolarHBondContact O-N 3.41Å; I153-G155 VanDerWaalsContact C-N 3.32Å; I153-G155 PolarHBondContact O-N 3.1Å; I153-N157 HydrophobicContact CG2-CB 4.48Å; I153-N157 WeakPolarHBondContact O-CB 3.47Å; I153-N157 PolarHBondContact O-N 2.97Å; I153-V168 HydrophobicContact CG1-CG1 4.21Å; I153-R170 HydrophobicContact CD1-CG 4.06Å
154A84.9Confident86.8Confident54 Ų5447.4 Ų47.445%0.44627%0.272SS..Hα-helixtrans-64-35.3-177.300000113.3D150 Q151D150-A154 WeakPolarHBondContact O-CB 3.36Å; D150-A154 PolarHBondContact O-N 3.4Å; Q151-A154 PolarHBondContact O-N 3.02Å
155G82.2Confident86.6Confident6 Ų650.9 Ų50.96%0.06228%0.281CS..Hα-helixtrans-81.6-37179.700000114.3Q151 I153Q151-G155 PolarHBondContact O-N 3.27Å; I153-G155 VanDerWaalsContact C-N 3.32Å; I153-G155 PolarHBondContact O-N 3.1Å
156L89.1Confident86.7Confident1 Ų147.7 Ų47.71%0.00527%0.265CS..Hα-helixtrans-97.6-27-173.3-65.3169.7000114L114 L115 F118 A152 G158 M159 L166 V168 V292L114-L156 HydrophobicContact CD1-CD2 4.15Å; L114-L156 HydrophobicContact CG-CD2 4.28Å; L115-L156 HydrophobicContact CD2-CD1 3.62Å; F118-L156 HydrophobicContact CD2-CD1 4.03Å; F118-L156 HydrophobicContact CD2-CG 4.24Å; F118-L156 HydrophobicContact CE2-CD1 3.71Å; F118-L156 HydrophobicContact CE2-CD2 3.61Å; F118-L156 HydrophobicContact CE2-CG 3.42Å; F118-L156 VanDerWaalsContact CE2-CG 3.42Å; F118-L156 HydrophobicContact CZ-CD1 4.42Å; F118-L156 HydrophobicContact CZ-CD2 4.15Å; F118-L156 HydrophobicContact CZ-CG 3.79Å; A152-L156 VanDerWaalsContact O-CB 3.24Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 WeakPolarHBondContact O-CG 3.23Å; A152-L156 PolarHBondContact O-N 3.1Å; L156-G158 PolarHBondContact O-N 2.73Å; L156-M159 HydrophobicContact CD2-SD 3.83Å; L156-M159 WeakPolarHBondContact O-CB 3.33Å; L156-M159 PolarHBondContact O-N 3.17Å; L156-L166 HydrophobicContact CD2-CD1 4.46Å; L156-L166 WeakPolarHBondContact O-CB 3.09Å; L156-V168 HydrophobicContact CB-CB 4.2Å; L156-V168 HydrophobicContact CB-CG1 4.43Å; L156-V168 HydrophobicContact CB-CG2 3.61Å; L156-V292 HydrophobicContact CD2-CG1 4.27Å; L156-V292 HydrophobicContact CD2-CG2 4.46Å
157N89.6Confident86.9Confident57 Ų5747.7 Ų47.731%0.30527%0.265SS..THydrogen-bonded Turntrans-66.5125.8-177.2-172.141.9000110.8I153 M159 V168 M202I153-N157 HydrophobicContact CG2-CB 4.48Å; I153-N157 WeakPolarHBondContact O-CB 3.47Å; I153-N157 PolarHBondContact O-N 2.97Å; N157-M159 VanDerWaalsContact C-N 3.26Å; N157-M159 PolarHBondContact O-N 3Å; N157-V168 HydrophobicContact CB-CB 4.08Å; N157-V168 WeakPolarHBondContact CB-O 3.16Å; N157-V168 PolarHBondContact OD1-N 3.3Å; N157-V168 PolarHBondContact OD1-O 2.74Å; N157-M202 WeakPolarHBondContact O-CE 3.37Å
158G84.7Confident87.2Confident20 Ų2042.6 Ų42.621%0.20624%0.238CC..THydrogen-bonded Turntrans81.3-3.2-174.600000114.6L156 Q160 L166 M202L156-G158 PolarHBondContact O-N 2.73Å; G158-Q160 PolarHBondContact O-N 3.45Å; G158-L166 VanDerWaalsContact CA-O 3.27Å; G158-L166 WeakPolarHBondContact CA-O 3.43Å; G158-L166 PolarHBondContact N-O 3.3Å; G158-M202 WeakPolarHBondContact O-CE 3.18Å
159M85.7Confident87.4Confident1 Ų146.5 Ų46.51%0.00526%0.255CS..  trans-59.2129.1-176.6-171-173.297.400109.7L114 L156 N157 L161 K165 L166 M202 T282 V290 V292L114-M159 HydrophobicContact CD1-CE 3.93Å; L114-M159 HydrophobicContact CD1-SD 4.48Å; L114-M159 HydrophobicContact CD2-CE 4.15Å; L156-M159 HydrophobicContact CD2-SD 3.83Å; L156-M159 WeakPolarHBondContact O-CB 3.33Å; L156-M159 PolarHBondContact O-N 3.17Å; N157-M159 VanDerWaalsContact C-N 3.26Å; N157-M159 PolarHBondContact O-N 3Å; M159-L161 HydrophobicContact CE-CB 4.28Å; M159-L161 HydrophobicContact CE-CD1 4.17Å; M159-L161 HydrophobicContact CE-CD2 4.44Å; M159-L161 PolarHBondContact O-N 3.16Å; M159-K165 CarbonylContact O-C 3.59Å; M159-K165 WeakPolarHBondContact O-CA 3.48Å; M159-L166 HydrophobicContact CB-CB 4.45Å; M159-L166 HydrophobicContact CB-CD1 4.27Å; M159-L166 HydrophobicContact CB-CG 4.38Å; M159-L166 HydrophobicContact CE-CD1 3.89Å; M159-L166 PolarHBondContact O-N 2.84Å; M159-M202 HydrophobicContact CB-CE 4.5Å; M159-M202 VanDerWaalsContact N-CE 3.27Å; M159-T282 HydrophobicContact CG-CG2 3.46Å; M159-T282 VanDerWaalsContact CG-CG2 3.46Å; M159-T282 HydrophobicContact SD-CG2 4.21Å; M159-V290 HydrophobicContact CE-CG1 3.88Å; M159-V292 HydrophobicContact SD-CG1 4.31Å; M159-V292 HydrophobicContact SD-CG2 4.26Å
160Q81.3Confident87.6Confident72 Ų7251.4 Ų51.434%0.33627%0.273SS..EExtended strand (participates in β ladder)trans-75.3125.5175.8-169.670.940.700108.9G158 G162 D163 K164 G283G158-Q160 PolarHBondContact O-N 3.45Å; Q160-G162 WeakPolarHBondContact CG-O 3.46Å; Q160-G162 PolarHBondContact NE2-O 3.27Å; Q160-D163 PolarHBondContact NE2-O 3Å; Q160-K164 CarbonylContact C-O 3.57Å; Q160-K164 WeakPolarHBondContact CA-O 3.47Å; Q160-K164 PolarHBondContact NE2-O 3.37Å; Q160-K164 VanDerWaalsContact NE2-O 3.08Å; Q160-G283 WeakPolarHBondContact O-CA 3.35Å
161L82Confident87.7Confident6 Ų648.3 Ų48.33%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-130.898176.1-169.853.8000109P103 L106 L114 M159 D163 K164 L166 V290P103-L161 HydrophobicContact CG-CB 4.47Å; P103-L161 HydrophobicContact CG-CD2 4.42Å; P103-L161 HydrophobicContact CG-CG 4.07Å; P103-L161 WeakPolarHBondContact CG-O 3.5Å; L106-L161 HydrophobicContact CD1-CD2 3.54Å; L106-L161 HydrophobicContact CD1-CG 4.34Å; L114-L161 HydrophobicContact CD2-CD2 4.15Å; M159-L161 HydrophobicContact CE-CB 4.28Å; M159-L161 HydrophobicContact CE-CD1 4.17Å; M159-L161 HydrophobicContact CE-CD2 4.44Å; M159-L161 PolarHBondContact O-N 3.16Å; L161-D163 PolarHBondContact O-N 2.71Å; L161-K164 PolarHBondContact N-O 3.46Å; L161-K164 PolarHBondContact O-N 3.42Å; L161-L166 HydrophobicContact CB-CD2 4.22Å; L161-L166 HydrophobicContact CB-CG 4.37Å; L161-L166 HydrophobicContact CD2-CD1 4.41Å; L161-L166 HydrophobicContact CD2-CD2 4.04Å; L161-V290 HydrophobicContact CD1-CB 4.27Å; L161-V290 HydrophobicContact CD1-CG1 3.4Å; L161-V290 VanDerWaalsContact CD1-CG1 3.4Å; L161-V290 HydrophobicContact CD1-CG2 3.83Å
162G81.8Confident87.3Confident48 Ų4849.4 Ų49.450%0.49528%0.275SS..THydrogen-bonded Turntrans64.2-125-167.300000111.1Q160Q160-G162 WeakPolarHBondContact CG-O 3.46Å; Q160-G162 PolarHBondContact NE2-O 3.27Å
163D83.1Confident85.6Confident126 Ų12654 Ų5467%0.67430%0.303SS*.THydrogen-bonded Turntrans-87.7-5.3176.865.8-44.5000113.5Q160 L161Q160-D163 PolarHBondContact NE2-O 3Å; L161-D163 PolarHBondContact O-N 2.71Å
164K86.9Confident83.5Confident76 Ų7655.8 Ų55.833%0.3333%0.329SS..EExtended strand (participates in β ladder)trans-105.6155.3-177.8-61.7-169.7-177.1-620112.5G101 P103 Q160 L161G101-K164 WeakPolarHBondContact O-CB 3.08Å; G101-K164 WeakPolarHBondContact O-CD 3.3Å; P103-K164 HydrophobicContact CG-CD 4.42Å; Q160-K164 CarbonylContact C-O 3.57Å; Q160-K164 WeakPolarHBondContact CA-O 3.47Å; Q160-K164 PolarHBondContact NE2-O 3.37Å; Q160-K164 VanDerWaalsContact NE2-O 3.08Å; L161-K164 PolarHBondContact N-O 3.46Å; L161-K164 PolarHBondContact O-N 3.42Å
165K88.3Confident81.6Confident139 Ų13957 Ų5760%0.60434%0.339SS*.EExtended strand (participates in β ladder)trans-107134.5166.8-69.2-173.6178.1-173.20109.5M159M159-K165 CarbonylContact O-C 3.59Å; M159-K165 WeakPolarHBondContact O-CA 3.48Å
166L92.7Very high79.5Confident4 Ų466.2 Ų66.22%0.02138%0.377CS..  trans-70.3142.3175-59-170.8000110.3G100 L102 L114 L156 G158 M159 L161 V168G100-L166 CarbonylContact O-C 3.53Å; G100-L166 WeakPolarHBondContact O-CA 3.26Å; L102-L166 HydrophobicContact CD2-CD2 3.77Å; L102-L166 HydrophobicContact CG-CD2 4.31Å; L114-L166 HydrophobicContact CD2-CD1 4.04Å; L156-L166 HydrophobicContact CD2-CD1 4.46Å; L156-L166 WeakPolarHBondContact O-CB 3.09Å; G158-L166 VanDerWaalsContact CA-O 3.27Å; G158-L166 WeakPolarHBondContact CA-O 3.43Å; G158-L166 PolarHBondContact N-O 3.3Å; M159-L166 HydrophobicContact CB-CB 4.45Å; M159-L166 HydrophobicContact CB-CD1 4.27Å; M159-L166 HydrophobicContact CB-CG 4.38Å; M159-L166 HydrophobicContact CE-CD1 3.89Å; M159-L166 PolarHBondContact O-N 2.84Å; L161-L166 HydrophobicContact CB-CD2 4.22Å; L161-L166 HydrophobicContact CB-CG 4.37Å; L161-L166 HydrophobicContact CD2-CD1 4.41Å; L161-L166 HydrophobicContact CD2-CD2 4.04Å; L166-V168 HydrophobicContact CB-CG2 4.18Å
167L93.4Very high77.2Confident80 Ų8073.2 Ų73.242%0.41942%0.415SS..EExtended strand (participates in β ladder)trans-113.610616917462.4000107.4F98 I99 G100F98-L167 HydrophobicContact CE1-CD2 4.15Å; F98-L167 HydrophobicContact CE1-CG 4.38Å; I99-L167 CarbonylContact C-O 3.59Å; I99-L167 WeakPolarHBondContact CA-O 3.17Å; G100-L167 PolarHBondContact N-O 3.22Å; G100-L167 PolarHBondContact O-N 2.81Å
168V94.6Very high74.7Confident2 Ų274.9 Ų74.91%0.01244%0.436CS..EExtended strand (participates in β ladder)trans-117.5122.4-177-173.10000109.8F98 I99 I153 L156 N157 L166F98-V168 WeakPolarHBondContact O-CA 3.1Å; I99-V168 HydrophobicContact CG1-CG1 4.31Å; I99-V168 HydrophobicContact CG1-CG2 4.39Å; I99-V168 HydrophobicContact CG2-CG2 4.09Å; I153-V168 HydrophobicContact CG1-CG1 4.21Å; L156-V168 HydrophobicContact CB-CB 4.2Å; L156-V168 HydrophobicContact CB-CG1 4.43Å; L156-V168 HydrophobicContact CB-CG2 3.61Å; N157-V168 HydrophobicContact CB-CB 4.08Å; N157-V168 WeakPolarHBondContact CB-O 3.16Å; N157-V168 PolarHBondContact OD1-N 3.3Å; N157-V168 PolarHBondContact OD1-O 2.74Å; L166-V168 HydrophobicContact CB-CG2 4.18Å
169Q94.6Very high72.2Confident98 Ų9879.1 Ų79.146%0.45846%0.458SS..EExtended strand (participates in β ladder)trans-157.1164.1-178.261.2-177.532.400110.8L97 F98 A171L97-Q169 WeakPolarHBondContact CA-O 3.25Å; F98-Q169 HydrophobicContact CB-CG 4.47Å; F98-Q169 HydrophobicContact CD1-CG 4.27Å; F98-Q169 PolarHBondContact N-O 3.14Å; F98-Q169 PolarHBondContact O-N 2.65Å; F98-Q169 VanDerWaalsContact O-N 3.11Å; Q169-A171 PolarHBondContact O-N 2.81Å
170R94.2Very high70.2Confident104 Ų10486.9 Ų86.939%0.39250%0.499SS..EExtended strand (participates in β ladder)trans-59.9130168.6-71.7-179.7170.193.30.6109.7A94 K96 L97 D150 I153 S172A94-R170 WeakPolarHBondContact O-CD 3.3Å; A94-R170 PolarHBondContact O-NE 2.94Å; K96-R170 CarbonylContact O-C 3.56Å; K96-R170 WeakPolarHBondContact O-CA 3.31Å; L97-R170 HydrophobicContact CD2-CG 4.36Å; D150-R170 IonicContact OD1-CZ 3.91Å; D150-R170 IonicContact OD1-NH1 2.69Å; D150-R170 PolarHBondContact OD1-NH1 2.98Å; D150-R170 IonicContact OD1-NH2 2.65Å; D150-R170 PolarHBondContact OD1-NH2 2.94Å; D150-R170 IonicContact OD2-CZ 3.92Å; D150-R170 IonicContact OD2-NH2 2.74Å; D150-R170 PolarHBondContact OD2-NH2 3.34Å; I153-R170 HydrophobicContact CD1-CG 4.06Å; R170-S172 PolarHBondContact O-N 3.12Å
171A89.1Confident68.2Low18 Ų1887.5 Ų87.515%0.14951%0.512CS..  trans-70.6102171.900000107.3K96 F98 F140 Q169 V173K96-A171 HydrophobicContact CB-CB 4.17Å; K96-A171 HydrophobicContact CD-CB 3.92Å; K96-A171 HydrophobicContact CG-CB 3.69Å; K96-A171 PolarHBondContact O-N 3.37Å; F98-A171 HydrophobicContact CB-CB 4.18Å; F140-A171 HydrophobicContact CD1-CB 4.15Å; F140-A171 HydrophobicContact CE1-CB 4.07Å; Q169-A171 PolarHBondContact O-N 2.81Å; A171-V173 PolarHBondContact O-N 3.07Å
172S76.1Confident65.8Low93 Ų9393.4 Ų93.465%0.6555%0.548SS*.  trans-59128.1179.7-163.20000109.8R170 G174 A175R170-S172 PolarHBondContact O-N 3.12Å; S172-G174 VanDerWaalsContact C-N 3.33Å; S172-G174 PolarHBondContact O-N 2.82Å; S172-A175 PolarHBondContact O-N 3.22Å
173V54.8Low64Low97 Ų9798.9 Ų98.959%0.58856%0.564SS**THydrogen-bonded Turntrans-67.892177.3-161.40000107.4D92 A171D92-V173 HydrophobicContact CB-CG1 4.27Å; A171-V173 PolarHBondContact O-N 3.07Å
174G45.4Very low61.4Low70 Ų7099.5 Ų99.572%0.72257%0.568SS**THydrogen-bonded Turntrans120.912.5176.400000117.8S172 K176S172-G174 VanDerWaalsContact C-N 3.33Å; S172-G174 PolarHBondContact O-N 2.82Å; G174-K176 VanDerWaalsContact C-N 3.29Å; G174-K176 PolarHBondContact O-N 3.17Å
175A44.4Very low59.4Low79 Ų79104.6 Ų104.665%0.65359%0.593SS**  trans-71.885168.600000110.6S172 N177S172-A175 PolarHBondContact O-N 3.22Å; A175-N177 PolarHBondContact O-N 3.42Å; A175-N177 VanDerWaalsContact O-N 3.11Å
176K37.6Very low56.5Low200 Ų200103.9 Ų103.987%0.8760%0.6SS**  trans-57.5115.3165.9-68.9-177.2178.1-179.70108.4G174 A178G174-K176 VanDerWaalsContact C-N 3.29Å; G174-K176 PolarHBondContact O-N 3.17Å; K176-A178 PolarHBondContact O-N 2.85Å
177N41.6Very low53.5Low147 Ų147109.4 Ų109.479%0.78664%0.636SS**  trans35.679.2163.6-67.5-10.4000116A175 T179A175-N177 PolarHBondContact O-N 3.42Å; A175-N177 VanDerWaalsContact O-N 3.11Å; N177-T179 VanDerWaalsContact C-N 3.26Å; N177-T179 PolarHBondContact O-N 2.82Å; N177-T179 VanDerWaalsContact O-N 3.11Å
178A35.7Very low50.4Low92 Ų92111.4 Ų111.476%0.7665%0.651SS**  trans-75.890.2148.700000107.2K176 L180K176-A178 PolarHBondContact O-N 2.85Å; A178-L180 PolarHBondContact O-N 3.35Å; A178-L180 VanDerWaalsContact O-N 3.14Å
179T33.8Very low47.3Very low109 Ų109117 Ų11767%0.66969%0.685SS**  trans-56.2115.3168.945.10000109N177 S181N177-T179 VanDerWaalsContact C-N 3.26Å; N177-T179 PolarHBondContact O-N 2.82Å; N177-T179 VanDerWaalsContact O-N 3.11Å; T179-S181 VanDerWaalsContact C-N 3.25Å; T179-S181 PolarHBondContact O-N 2.93Å
180L44Very low44.5Very low164 Ų164119.5 Ų119.586%0.85970%0.701SS**  trans-66.388.6162.5-82116.5000108.5A178A178-L180 PolarHBondContact O-N 3.35Å; A178-L180 VanDerWaalsContact O-N 3.14Å
181S37.9Very low41.3Very low86 Ų86123 Ų12360%0.60172%0.722SS**  trans-146.4126.6165.325.70000109.7T179T179-S181 VanDerWaalsContact C-N 3.25Å; T179-S181 PolarHBondContact O-N 2.93Å
182T32.7Very low38.8Very low129 Ų129127.3 Ų127.379%0.79175%0.746SS**  trans95.390.3163.2-26.30000116.1N184T182-N184 HydrophobicContact CG2-CB 4.49Å; T182-N184 PolarHBondContact O-N 2.81Å
183I43Very low36.5Very low164 Ų164129 Ų12984%0.84176%0.755SS**  trans-56.9109.8143.6-61.2164.9000106.7
184N29.9Very low35.7Very low139 Ų139128 Ų12874%0.74377%0.765SS**  trans-160.5137.3145.9-108.2-8.9000112.3T182T182-N184 HydrophobicContact CG2-CB 4.49Å; T182-N184 PolarHBondContact O-N 2.81Å
185Q43.6Very low35.2Very low183 Ų183131.8 Ų131.886%0.85577%0.767SS**  trans-55.4127.8-173.6-64.3161-6.300112.9
186T27.3Very low34.5Very low124 Ų124136.4 Ų136.476%0.76178%0.778SS**  trans-155.5132.7135.540.30000108.7V188T186-V188 PolarHBondContact O-N 3.14Å
187P30Very low34.2Very low120 Ų120132.2 Ų132.278%0.77977%0.774SS**  trans-80.7121178.930.4-29.8000109.8
188V28.6Very low33.7Very low121 Ų121130.2 Ų130.273%0.73377%0.771SS**  trans-93.9103.6166.2-166.60000107.3T186 L190T186-V188 PolarHBondContact O-N 3.14Å; V188-L190 HydrophobicContact CG1-CD1 3.97Å; V188-L190 PolarHBondContact O-N 2.99Å
189T28.4Very low33.5Very low119 Ų119133.8 Ų133.873%0.7377%0.772SS**  trans-7797.7172.549.20000109.3Q191T189-Q191 PolarHBondContact O-N 2.69Å
190L36.2Very low33.6Very low151 Ų151135 Ų13579%0.79178%0.779SS**  trans-79.599.7159.3-100.980.6000108.5V188 V192V188-L190 HydrophobicContact CG1-CD1 3.97Å; V188-L190 PolarHBondContact O-N 2.99Å; L190-V192 PolarHBondContact O-N 2.87Å
191Q28.1Very low33.3Very low178 Ų178133 Ų13383%0.83277%0.765SS**  trans-79.5107.3167.1-84.3176.8-26.700109.5T189T189-Q191 PolarHBondContact O-N 2.69Å
192V36.4Very low33.4Very low109 Ų109132.3 Ų132.366%0.66175%0.753SS**  trans-111.4110.4157.1-170.60000106.8L190 G194L190-V192 PolarHBondContact O-N 2.87Å; V192-G194 PolarHBondContact O-N 2.79Å
193P26.6Very low34.3Very low128 Ų128126.5 Ų126.583%0.83172%0.719SS**THydrogen-bonded Turntrans-67.1116.9177.8-18.431.2000110.5
194G38Very low35.3Very low77 Ų77120.8 Ų120.879%0.79470%0.7SS**THydrogen-bonded Turntrans135.8-3.6165.800000118.5V192V192-G194 PolarHBondContact O-N 2.79Å
195L34.8Very low37.6Very low148 Ų148122.1 Ų122.178%0.77570%0.702SS**  trans-110.6117.8173.3-84.888.9000110.9S197L195-S197 PolarHBondContact O-N 2.83Å
196M30.7Very low39.7Very low177 Ų177115 Ų11587%0.87267%0.671SS**  trans-53.4137167.3-75.7178.3168.400109.7S198M196-S198 PolarHBondContact O-N 2.87Å
197S31.4Very low42.9Very low112 Ų112110 Ų11078%0.78364%0.641SS**  trans-37.79717445.90000112.9L195 Q199L195-S197 PolarHBondContact O-N 2.83Å; S197-Q199 VanDerWaalsContact C-N 3.32Å; S197-Q199 PolarHBondContact O-N 3.46Å; S197-Q199 VanDerWaalsContact O-N 3.11Å
198S31.6Very low46Very low104 Ų104107.2 Ų107.273%0.72762%0.617SS**  trans-81.586.1167.1-62.60000107.8M196 V200M196-S198 PolarHBondContact O-N 2.87Å; S198-V200 PolarHBondContact O-N 2.84Å; S198-V200 VanDerWaalsContact O-N 3.15Å
199Q31.1Very low49.1Very low167 Ų167101.4 Ų101.478%0.7858%0.582SS**  trans-55.6115.7153.9-76.3179.5-32.900106.2S197 Q201S197-Q199 VanDerWaalsContact C-N 3.32Å; S197-Q199 PolarHBondContact O-N 3.46Å; S197-Q199 VanDerWaalsContact O-N 3.11Å; Q199-Q201 VanDerWaalsContact C-N 3.32Å; Q199-Q201 PolarHBondContact O-N 2.76Å
200V34.9Very low52.3Low134 Ų13495.8 Ų95.881%0.81255%0.548SS*.  trans-62.497.2178.8-1760000107.3S198 M202S198-V200 PolarHBondContact O-N 2.84Å; S198-V200 VanDerWaalsContact O-N 3.15Å; V200-M202 PolarHBondContact O-N 3.08Å
201Q37.6Very low55Low123 Ų12388.8 Ų88.858%0.57551%0.511SS*.  trans-83.3114.4-175-125.6170.6-9.800108.4Q199Q199-Q201 VanDerWaalsContact C-N 3.32Å; Q199-Q201 PolarHBondContact O-N 2.76Å
202M41.4Very low58.1Low72 Ų7280.4 Ų80.436%0.35547%0.472SS..THydrogen-bonded Turntrans-56135.7178.8-64.3-72.7-68.400112N157 G158 M159 V200 M278N157-M202 WeakPolarHBondContact O-CE 3.37Å; G158-M202 WeakPolarHBondContact O-CE 3.18Å; M159-M202 HydrophobicContact CB-CE 4.5Å; M159-M202 VanDerWaalsContact N-CE 3.27Å; V200-M202 PolarHBondContact O-N 3.08Å; M202-M278 HydrophobicContact CB-CE 4.47Å
203G51.7Low60.6Low7 Ų775.6 Ų75.67%0.07244%0.442CS..THydrogen-bonded Turntrans84.612.8161.200000118.5Y295G203-Y295 WeakPolarHBondContact O-CD2 3.38Å; G203-Y295 PolarHBondContact O-N 3.19Å
204G63.2Low63.5Low43 Ų4370.4 Ų70.444%0.44341%0.408SS..SBendtrans92.9-174.6-174.400000112.4
205H77.1Confident65.9Low167 Ų16767.3 Ų67.377%0.77337%0.373SS*.SBendtrans-68.6129.3177.5-65.7-65.6000109.8T207 Y295H205-T207 WeakPolarHBondContact O-CG2 3.41Å; H205-T207 PolarHBondContact O-N 3.47Å; H205-Y295 WeakPolarHBondContact O-CB 3.29Å
206P89Confident68.6Low33 Ų3360.7 Ų60.721%0.21434%0.338CS..  trans-57.4130.5179.2-25.434000112.1V271 Q275 Y295P206-V271 HydrophobicContact CB-CG1 3.65Å; P206-Q275 HydrophobicContact CB-CG 3.93Å; P206-Q275 VanDerWaalsContact CB-NE2 3.3Å; P206-Q275 HydrophobicContact CG-CG 4.48Å; P206-Y295 HydrophobicContact CB-CE1 4.23Å; P206-Y295 HydrophobicContact CB-CE2 4.22Å; P206-Y295 HydrophobicContact CG-CE2 4.18Å
207T93.5Very high71.3Confident20 Ų2054.8 Ų54.812%0.12331%0.31CS..  trans-128.217717765.30000109.4H205 V209 C274 C296H205-T207 WeakPolarHBondContact O-CG2 3.41Å; H205-T207 PolarHBondContact O-N 3.47Å; T207-V209 VanDerWaalsContact C-N 3.3Å; T207-V209 PolarHBondContact OG1-N 3.37Å; T207-V209 PolarHBondContact OG1-O 3.11Å; T207-V209 VanDerWaalsContact OG1-O 3.1Å; T207-C274 WeakPolarHBondContact O-CB 3.35Å; T207-C274 PolarHBondContact O-SG 3.32Å; T207-C296 WeakPolarHBondContact CB-O 3.37Å; T207-C296 VanDerWaalsContact CG2-O 3.32Å; T207-C296 WeakPolarHBondContact CG2-O 3.03Å; T207-C296 PolarHBondContact OG1-O 2.82Å
208E94.7Very high73.9Confident61 Ų6152.1 Ų52.129%0.28529%0.29SS..SBendtrans-81.1-5.7172.163.2-91-154.300114E267 F268 V271 P298E208-E267 HydrophobicContact CG-CG 4.47Å; E208-F268 PolarHBondContact O-N 2.81Å; E208-V271 HydrophobicContact CB-CG2 4.44Å; E208-P298 VanDerWaalsContact CD-CG 3.4Å; E208-P298 HydrophobicContact CG-CG 4.14Å; E208-P298 VanDerWaalsContact OE1-CG 3.28Å; E208-P298 WeakPolarHBondContact OE1-CG 3.4Å
209V95.7Very high76.7Confident0 Ų053.5 Ų53.50%029%0.285CS..EExtended strand (participates in β ladder)trans-110.5121.2-179.5-171.90000110.8T207 V266 E267 C296 P298 Y301T207-V209 VanDerWaalsContact C-N 3.3Å; T207-V209 PolarHBondContact OG1-N 3.37Å; T207-V209 PolarHBondContact OG1-O 3.11Å; T207-V209 VanDerWaalsContact OG1-O 3.1Å; V209-V266 WeakPolarHBondContact CA-O 3.48Å; V209-E267 HydrophobicContact CG2-CB 4.35Å; V209-E267 HydrophobicContact CG2-CG 4.16Å; V209-C296 HydrophobicContact CB-CB 4.03Å; V209-C296 HydrophobicContact CG1-CB 3.79Å; V209-C296 PolarHBondContact O-N 2.88Å; V209-P298 HydrophobicContact CG2-CB 4.16Å; V209-P298 HydrophobicContact CG2-CG 4.27Å; V209-Y301 HydrophobicContact CG1-CD1 4.22Å; V209-Y301 HydrophobicContact CG1-CD2 3.85Å; V209-Y301 HydrophobicContact CG1-CE2 4.47Å; V209-Y301 HydrophobicContact CG1-CG 3.73Å; V209-Y301 HydrophobicContact CG2-CD1 3.9Å; V209-Y301 HydrophobicContact CG2-CG 4.04Å
210L94.7Very high79.5Confident0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-104.5127.7174.9-164.160.9000110.4L212 F265 V266 F268 A277 M278 L281 Y295L210-L212 HydrophobicContact CD2-CD2 3.68Å; L210-L212 HydrophobicContact CG-CD2 3.92Å; L210-F265 WeakPolarHBondContact O-CA 3.42Å; L210-V266 PolarHBondContact N-O 2.71Å; L210-V266 PolarHBondContact O-N 3.28Å; L210-F268 HydrophobicContact CB-CE2 4.16Å; L210-F268 HydrophobicContact CD2-CE2 4.46Å; L210-A277 HydrophobicContact CD2-CB 3.97Å; L210-M278 HydrophobicContact CD1-CB 3.86Å; L210-M278 HydrophobicContact CD1-CG 3.9Å; L210-M278 HydrophobicContact CD2-CB 4.34Å; L210-L281 HydrophobicContact CD2-CD1 4.26Å; L210-Y295 HydrophobicContact CD1-CD1 4.45Å
211C92.4Very high82.2Confident4 Ų441 Ų413%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-95.5122.1166.51800000109.5M213 I264 F265 T293 K294 C296C211-M213 VanDerWaalsContact SG-CG 3.58Å; C211-I264 CarbonylContact C-O 3.56Å; C211-I264 WeakPolarHBondContact CA-O 3.18Å; C211-F265 HydrophobicContact CB-CD1 3.89Å; C211-F265 HydrophobicContact CB-CE1 3.84Å; C211-T293 WeakPolarHBondContact O-CA 3.41Å; C211-K294 PolarHBondContact N-O 3.47Å; C211-K294 PolarHBondContact O-N 3.37Å; C211-C296 WeakPolarHBondContact CB-SG 3.44Å
212L92.7Very high84.7Confident2 Ų240 Ų401%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-98.5121171.1-49.7177.3000107.7L210 M215 V234 I264 V266 L281 V291 T293L210-L212 HydrophobicContact CD2-CD2 3.68Å; L210-L212 HydrophobicContact CG-CD2 3.92Å; L212-M215 HydrophobicContact CB-CE 3.73Å; L212-M215 HydrophobicContact CB-CG 4.24Å; L212-M215 HydrophobicContact CB-SD 4.13Å; L212-M215 HydrophobicContact CD1-CE 3.37Å; L212-M215 HydrophobicContact CD1-SD 4.18Å; L212-M215 HydrophobicContact CG-CE 4.18Å; L212-V234 HydrophobicContact CD1-CG1 4.26Å; L212-I264 HydrophobicContact CB-CB 4.26Å; L212-I264 PolarHBondContact N-O 2.9Å; L212-I264 PolarHBondContact O-N 3.19Å; L212-V266 HydrophobicContact CD1-CG2 4.04Å; L212-V266 HydrophobicContact CG-CG2 4.49Å; L212-L281 HydrophobicContact CD1-CD1 4.28Å; L212-L281 HydrophobicContact CD2-CB 4.44Å; L212-L281 HydrophobicContact CD2-CD1 3.94Å; L212-V291 HydrophobicContact CD2-CG1 4.41Å; L212-T293 HydrophobicContact CD2-CG2 3.51Å
213M90.1Very high87.2Confident8 Ų840.5 Ų40.54%0.03922%0.22CC..EExtended strand (participates in β ladder)trans-117.4158.7-179.1-57.9159.2-82.400108.8C211 M215 K263 V292 K294C211-M213 VanDerWaalsContact SG-CG 3.58Å; M213-M215 VanDerWaalsContact C-N 3.26Å; M213-M215 PolarHBondContact O-N 3.24Å; M213-K263 HydrophobicContact CG-CD 4.38Å; M213-K263 HydrophobicContact CG-CG 4.22Å; M213-V292 HydrophobicContact CB-CB 4.21Å; M213-V292 HydrophobicContact CE-CB 4.27Å; M213-V292 HydrophobicContact CE-CG1 3.83Å; M213-V292 PolarHBondContact N-O 3.12Å; M213-V292 PolarHBondContact O-N 3.26Å; M213-K294 HydrophobicContact CE-CB 3.48Å; M213-K294 VanDerWaalsContact CE-CB 3.48Å
214N86.9Confident89.2Confident19 Ų1944.7 Ų44.710%0.10224%0.241CC..SBendtrans62.826.8-179-150.528.4000114.9E113 S117 R289 V290 V292E113-N214 WeakPolarHBondContact CG-OD1 3.25Å; E113-N214 PolarHBondContact O-OD1 2.95Å; S117-N214 WeakPolarHBondContact OG-CB 3.38Å; S117-N214 PolarHBondContact OG-OD1 3.23Å; N214-R289 WeakPolarHBondContact O-CB 3.33Å; N214-V290 VanDerWaalsContact CB-O 3.26Å; N214-V290 WeakPolarHBondContact CB-O 3.29Å; N214-V290 PolarHBondContact ND2-N 3.44Å; N214-V290 PolarHBondContact ND2-O 2.88Å; N214-V292 HydrophobicContact CB-CG2 4.31Å
215M89.3Confident90.7Very high13 Ų1349.3 Ų49.36%0.06425%0.251CS..SBendtrans-97.4-41.7176.2-60-141-56.700111.6L212 M213 V234 I264 F286 V291L212-M215 HydrophobicContact CB-CE 3.73Å; L212-M215 HydrophobicContact CB-CG 4.24Å; L212-M215 HydrophobicContact CB-SD 4.13Å; L212-M215 HydrophobicContact CD1-CE 3.37Å; L212-M215 HydrophobicContact CD1-SD 4.18Å; L212-M215 HydrophobicContact CG-CE 4.18Å; M213-M215 VanDerWaalsContact C-N 3.26Å; M213-M215 PolarHBondContact O-N 3.24Å; M215-V234 HydrophobicContact CE-CG2 3.82Å; M215-I264 HydrophobicContact CB-CD1 4.17Å; M215-I264 HydrophobicContact CE-CD1 3.47Å; M215-I264 VanDerWaalsContact CE-CD1 3.47Å; M215-F286 HydrophobicContact CB-CD1 4.26Å; M215-F286 VanDerWaalsContact O-CD1 3.3Å; M215-F286 WeakPolarHBondContact O-CD1 3.23Å; M215-V291 HydrophobicContact CG-CB 4.25Å; M215-V291 HydrophobicContact CG-CG1 3.82Å; M215-V291 HydrophobicContact CG-CG2 3.79Å; M215-V291 HydrophobicContact SD-CB 4.17Å; M215-V291 HydrophobicContact SD-CG1 3.58Å; M215-V291 VanDerWaalsContact SD-CG1 3.58Å; M215-V291 HydrophobicContact SD-CG2 3.5Å; M215-V291 VanDerWaalsContact SD-CG2 3.5Å
216V90.4Very high91.5Very high8 Ų845.1 Ų45.15%0.04823%0.232CC..  trans-130.7147.9-171.2-65.70000111.2E220 L221 I230 I264V216-E220 WeakPolarHBondContact CA-OE2 3.4Å; V216-L221 HydrophobicContact CB-CD2 4.37Å; V216-L221 HydrophobicContact CG2-CD1 4.26Å; V216-L221 HydrophobicContact CG2-CD2 4.27Å; V216-I230 HydrophobicContact CG1-CD1 4.08Å; V216-I230 HydrophobicContact CG1-CG2 3.85Å; V216-I264 HydrophobicContact CG1-CD1 3.97Å; V216-I264 HydrophobicContact CG2-CD1 3.94Å; V216-I264 HydrophobicContact CG2-CG1 4.01Å
217L87.3Confident91.7Very high53 Ų5346.1 Ų46.128%0.27723%0.231SC..  trans-92.3150.2169.2-61.8-179.1000110.3E219 E220 R289L217-E219 HydrophobicContact CB-CG 3.87Å; L217-E219 HydrophobicContact CD1-CG 4.29Å; L217-E219 VanDerWaalsContact CD1-OE1 3.26Å; L217-E219 WeakPolarHBondContact CD1-OE1 3.42Å; L217-E219 PolarHBondContact O-N 3.16Å; L217-E220 HydrophobicContact CB-CG 4.14Å; L217-E220 PolarHBondContact N-OE2 3.42Å; L217-E220 WeakPolarHBondContact O-CB 3.36Å; L217-E220 PolarHBondContact O-N 3.15Å; L217-E220 VanDerWaalsContact O-N 3.1Å; L217-R289 VanDerWaalsContact CG-NH2 3.31Å
218P87.6Confident91.8Very high57 Ų5751.4 Ų51.437%0.3726%0.255SS..G310 helixtrans-51.9-38173.8-29.737.2000113.8E220 L221 P252P218-E220 VanDerWaalsContact C-N 3.34Å; P218-E220 PolarHBondContact O-N 3.34Å; P218-L221 WeakPolarHBondContact O-CB 3.43Å; P218-L221 PolarHBondContact O-N 2.89Å; P218-L221 VanDerWaalsContact O-N 3.1Å; P218-P252 HydrophobicContact CB-CB 4.38Å; P218-P252 HydrophobicContact CB-CG 4.35Å; P218-P252 VanDerWaalsContact O-CG 3.29Å; P218-P252 WeakPolarHBondContact O-CG 3.32Å
219E88.4Confident91.8Very high133 Ų13354 Ų5462%0.62127%0.267SS*.G310 helixtrans-66-32.4-179.660.7-168.4-176.700113.7L217 L221 L222L217-E219 HydrophobicContact CB-CG 3.87Å; L217-E219 HydrophobicContact CD1-CG 4.29Å; L217-E219 VanDerWaalsContact CD1-OE1 3.26Å; L217-E219 WeakPolarHBondContact CD1-OE1 3.42Å; L217-E219 PolarHBondContact O-N 3.16Å; E219-L221 PolarHBondContact O-N 2.91Å; E219-L222 PolarHBondContact O-N 3.12Å
220E90.1Very high91.7Very high39 Ų3954.6 Ų54.618%0.18227%0.27CS..G310 helixtrans-70.6-11.7175.2-62.1168.4161.100111.5V216 L217 P218 I230 R289V216-E220 WeakPolarHBondContact CA-OE2 3.4Å; L217-E220 HydrophobicContact CB-CG 4.14Å; L217-E220 PolarHBondContact N-OE2 3.42Å; L217-E220 WeakPolarHBondContact O-CB 3.36Å; L217-E220 PolarHBondContact O-N 3.15Å; L217-E220 VanDerWaalsContact O-N 3.1Å; P218-E220 VanDerWaalsContact C-N 3.34Å; P218-E220 PolarHBondContact O-N 3.34Å; E220-I230 HydrophobicContact CB-CD1 4.4Å; E220-R289 IonicContact OE1-CZ 3.78Å; E220-R289 IonicContact OE1-NH1 2.71Å; E220-R289 PolarHBondContact OE1-NH1 2.81Å; E220-R289 IonicContact OE1-NH2 3.73Å; E220-R289 PolarHBondContact OE1-NH2 3.13Å; E220-R289 IonicContact OE2-CZ 3.6Å; E220-R289 IonicContact OE2-NH1 2.95Å; E220-R289 PolarHBondContact OE2-NH1 2.84Å
221L91.9Very high91.7Very high0 Ų056 Ų560%028%0.279CS..G310 helixtrans-99.3-0.8179.9-56.6175.5000113V216 P218 E219 Y227 I230 I249 R251V216-L221 HydrophobicContact CB-CD2 4.37Å; V216-L221 HydrophobicContact CG2-CD1 4.26Å; V216-L221 HydrophobicContact CG2-CD2 4.27Å; P218-L221 WeakPolarHBondContact O-CB 3.43Å; P218-L221 PolarHBondContact O-N 2.89Å; P218-L221 VanDerWaalsContact O-N 3.1Å; E219-L221 PolarHBondContact O-N 2.91Å; L221-Y227 HydrophobicContact CD2-CD2 4.11Å; L221-I230 HydrophobicContact CD2-CD1 4.05Å; L221-I249 HydrophobicContact CD1-CG2 3.83Å; L221-I249 HydrophobicContact CD2-CG2 3.77Å; L221-I249 HydrophobicContact CG-CG2 4.46Å; L221-R251 VanDerWaalsContact O-CZ 3.24Å; L221-R251 PolarHBondContact O-NE 3.29Å; L221-R251 PolarHBondContact O-NH2 2.87Å
222L91.3Very high91.8Very high102 Ų10262.2 Ų62.253%0.53431%0.307SS..SBendtrans-78.1-33.4-177.6-74.6168000113E219 R251 P252E219-L222 PolarHBondContact O-N 3.12Å; L222-R251 VanDerWaalsContact C-NH2 3.28Å; L222-R251 PolarHBondContact O-NH2 3.05Å; L222-P252 HydrophobicContact CD2-CG 3.61Å; L222-P252 HydrophobicContact CG-CG 3.94Å
223D93.9Very high91.9Very high81 Ų8166.6 Ų66.643%0.43333%0.331SS..SBendtrans-82.7140.4176.8-174.4-95.6000110.7E225 E226 Y227 R251D223-E225 WeakPolarHBondContact OD1-CA 3.21Å; D223-E225 WeakPolarHBondContact OD1-CB 3.21Å; D223-E225 PolarHBondContact OD1-N 2.76Å; D223-E226 HydrophobicContact CB-CB 4.07Å; D223-E226 PolarHBondContact OD1-N 2.81Å; D223-Y227 WeakPolarHBondContact O-CB 3.38Å; D223-Y227 PolarHBondContact O-N 3.44Å; D223-Y227 VanDerWaalsContact O-N 3.14Å; D223-R251 PolarHBondContact O-NH2 3.23Å
224D93.4Very high92.1Very high95 Ų9566.5 Ų66.551%0.50833%0.33SS..Hα-helixtrans-77-35.3-176.3-72.4-12.2000111.9E228 R251D224-E228 WeakPolarHBondContact O-CG 3.47Å; D224-E228 PolarHBondContact O-N 2.81Å; D224-R251 IonicContact OD1-CZ 3.19Å; D224-R251 IonicContact OD1-NH1 3.98Å; D224-R251 PolarHBondContact OD1-NH1 3.49Å; D224-R251 IonicContact OD1-NH2 2.71Å; D224-R251 PolarHBondContact OD1-NH2 2.98Å
225E94.6Very high92.6Very high140 Ų14070.4 Ų70.465%0.65434%0.344SS*.Hα-helixtrans-71.5-46.9179.7-169.2172-167.600109.8D223 Y227 E228 E229D223-E225 WeakPolarHBondContact OD1-CA 3.21Å; D223-E225 WeakPolarHBondContact OD1-CB 3.21Å; D223-E225 PolarHBondContact OD1-N 2.76Å; E225-Y227 VanDerWaalsContact C-N 3.33Å; E225-Y227 PolarHBondContact O-N 3.49Å; E225-E228 PolarHBondContact O-N 3.28Å; E225-E229 WeakPolarHBondContact O-CG 3.36Å; E225-E229 PolarHBondContact O-N 3.25Å
226E93.6Very high92.8Very high80 Ų8074.9 Ų74.937%0.37437%0.368SS..Hα-helixtrans-62.2-39.3175.2-169.3172.8-174.400111.9D223 E229 I230D223-E226 HydrophobicContact CB-CB 4.07Å; D223-E226 PolarHBondContact OD1-N 2.81Å; E226-E229 PolarHBondContact O-N 2.87Å; E226-I230 HydrophobicContact CG-CD1 4.11Å; E226-I230 WeakPolarHBondContact O-CD1 3.42Å; E226-I230 VanDerWaalsContact O-CG1 3.25Å; E226-I230 WeakPolarHBondContact O-CG1 3.17Å; E226-I230 PolarHBondContact O-N 3.41Å
227Y93.8Very high93Very high53 Ų5377 Ų7721%0.20838%0.378CS..Hα-helixtrans-61.3-45.1175.1174.8-89.2000112.2L221 D223 E225 I230 V231 I249 R251L221-Y227 HydrophobicContact CD2-CD2 4.11Å; D223-Y227 WeakPolarHBondContact O-CB 3.38Å; D223-Y227 PolarHBondContact O-N 3.44Å; D223-Y227 VanDerWaalsContact O-N 3.14Å; E225-Y227 VanDerWaalsContact C-N 3.33Å; E225-Y227 PolarHBondContact O-N 3.49Å; Y227-I230 PolarHBondContact O-N 3.14Å; Y227-V231 HydrophobicContact CD1-CG2 4.21Å; Y227-V231 HydrophobicContact CE1-CG2 3.73Å; Y227-V231 HydrophobicContact CE2-CG2 4.35Å; Y227-V231 WeakPolarHBondContact O-CG2 3.31Å; Y227-V231 PolarHBondContact O-N 3.15Å; Y227-I249 HydrophobicContact CE2-CB 3.87Å; Y227-I249 HydrophobicContact CE2-CG2 4.17Å; Y227-R251 HydrophobicContact CD2-CG 3.78Å; Y227-R251 HydrophobicContact CE2-CG 3.55Å
228E95.1Very high93.4Very high131 Ų13174.6 Ų74.661%0.61237%0.365SS*.Hα-helixtrans-63.2-43.1178.1-76.6175.9-174.700111.4D224 E225 I230 V231 E232D224-E228 WeakPolarHBondContact O-CG 3.47Å; D224-E228 PolarHBondContact O-N 2.81Å; E225-E228 PolarHBondContact O-N 3.28Å; E228-I230 PolarHBondContact O-N 2.84Å; E228-V231 PolarHBondContact O-N 2.89Å; E228-E232 PolarHBondContact O-N 2.97Å
229E94.4Very high93.8Very high115 Ų11574.6 Ų74.654%0.53737%0.366SS..Hα-helixtrans-58.9-46.7174.5-72-173.9-178.400112.1E225 E226 V231 E232 D233E225-E229 WeakPolarHBondContact O-CG 3.36Å; E225-E229 PolarHBondContact O-N 3.25Å; E226-E229 PolarHBondContact O-N 2.87Å; E229-V231 VanDerWaalsContact C-N 3.32Å; E229-V231 PolarHBondContact O-N 3.09Å; E229-E232 PolarHBondContact O-N 3.21Å; E229-D233 WeakPolarHBondContact O-CB 3.33Å; E229-D233 PolarHBondContact O-N 2.94Å
230I93.6Very high94.2Very high14 Ų1475 Ų757%0.07237%0.366CS..Hα-helixtrans-59.5-43.5177.3-70.9165.4000110.9V216 E220 L221 E226 Y227 E228 V234 I249 I264V216-I230 HydrophobicContact CG1-CD1 4.08Å; V216-I230 HydrophobicContact CG1-CG2 3.85Å; E220-I230 HydrophobicContact CB-CD1 4.4Å; L221-I230 HydrophobicContact CD2-CD1 4.05Å; E226-I230 HydrophobicContact CG-CD1 4.11Å; E226-I230 WeakPolarHBondContact O-CD1 3.42Å; E226-I230 VanDerWaalsContact O-CG1 3.25Å; E226-I230 WeakPolarHBondContact O-CG1 3.17Å; E226-I230 PolarHBondContact O-N 3.41Å; Y227-I230 PolarHBondContact O-N 3.14Å; E228-I230 PolarHBondContact O-N 2.84Å; I230-V234 HydrophobicContact CG2-CG2 4.39Å; I230-V234 WeakPolarHBondContact O-CB 3.36Å; I230-V234 WeakPolarHBondContact O-CG2 3.24Å; I230-V234 PolarHBondContact O-N 2.96Å; I230-I249 HydrophobicContact CG2-CD1 3.94Å; I230-I264 HydrophobicContact CG2-CD1 4.34Å
231V94.9Very high94.5Very high30 Ų3074.9 Ų74.918%0.18236%0.364CS..Hα-helixtrans-64.1-43179.51710000111.1Y227 E228 E229 R235 I249Y227-V231 HydrophobicContact CD1-CG2 4.21Å; Y227-V231 HydrophobicContact CE1-CG2 3.73Å; Y227-V231 HydrophobicContact CE2-CG2 4.35Å; Y227-V231 WeakPolarHBondContact O-CG2 3.31Å; Y227-V231 PolarHBondContact O-N 3.15Å; E228-V231 PolarHBondContact O-N 2.89Å; E229-V231 VanDerWaalsContact C-N 3.32Å; E229-V231 PolarHBondContact O-N 3.09Å; V231-R235 VanDerWaalsContact O-CB 3.28Å; V231-R235 WeakPolarHBondContact O-CB 3.19Å; V231-R235 PolarHBondContact O-N 3.41Å; V231-I249 HydrophobicContact CG2-CD1 3.63Å; V231-I249 HydrophobicContact CG2-CG1 4.39Å
232E95.5Very high94.6Very high133 Ų13375.5 Ų75.562%0.62137%0.371SS*.Hα-helixtrans-65.1-47.6177.3-71.3-160.3149.900111.7E228 E229 V234 R235 D236E228-E232 PolarHBondContact O-N 2.97Å; E229-E232 PolarHBondContact O-N 3.21Å; E232-V234 PolarHBondContact O-N 3.41Å; E232-R235 WeakPolarHBondContact O-CB 3.32Å; E232-R235 PolarHBondContact O-N 3.14Å; E232-R235 VanDerWaalsContact O-N 3.13Å; E232-D236 WeakPolarHBondContact O-CB 3.46Å; E232-D236 PolarHBondContact O-N 3.11Å
233D94.3Very high94.7Very high94 Ų9476.2 Ų76.250%0.50338%0.375SS..Hα-helixtrans-59-45.2178.1-88.8-1.8000112E229 R235 D236 E237E229-D233 WeakPolarHBondContact O-CB 3.33Å; E229-D233 PolarHBondContact O-N 2.94Å; D233-R235 VanDerWaalsContact C-N 3.34Å; D233-D236 PolarHBondContact O-N 3.27Å; D233-E237 WeakPolarHBondContact O-CB 3.34Å; D233-E237 PolarHBondContact O-N 2.69Å
234V94.2Very high94.9Very high6 Ų672.9 Ų72.94%0.03636%0.357CS..Hα-helixtrans-64.7-41.3177.1172.20000110.8L212 M215 I230 E232 C238 I247 I264 V266L212-V234 HydrophobicContact CD1-CG1 4.26Å; M215-V234 HydrophobicContact CE-CG2 3.82Å; I230-V234 HydrophobicContact CG2-CG2 4.39Å; I230-V234 WeakPolarHBondContact O-CB 3.36Å; I230-V234 WeakPolarHBondContact O-CG2 3.24Å; I230-V234 PolarHBondContact O-N 2.96Å; E232-V234 PolarHBondContact O-N 3.41Å; V234-C238 WeakPolarHBondContact O-CB 3.41Å; V234-C238 PolarHBondContact O-N 3.36Å; V234-C238 PolarHBondContact O-SG 2.94Å; V234-I247 HydrophobicContact CG1-CD1 4.28Å; V234-I264 HydrophobicContact CG1-CG2 3.93Å; V234-I264 HydrophobicContact CG2-CD1 3.83Å; V234-V266 HydrophobicContact CG1-CG2 4.04Å
235R96Very high95Very high102 Ų10274.2 Ų74.239%0.38536%0.358SS..Hα-helixtrans-62-47.6177.6178.5176.5-75.5-88.10.6111.1V231 E232 D233 C238 S239 I247V231-R235 VanDerWaalsContact O-CB 3.28Å; V231-R235 WeakPolarHBondContact O-CB 3.19Å; V231-R235 PolarHBondContact O-N 3.41Å; E232-R235 WeakPolarHBondContact O-CB 3.32Å; E232-R235 PolarHBondContact O-N 3.14Å; E232-R235 VanDerWaalsContact O-N 3.13Å; D233-R235 VanDerWaalsContact C-N 3.34Å; R235-C238 PolarHBondContact O-N 3.41Å; R235-S239 WeakPolarHBondContact O-CB 3.48Å; R235-S239 PolarHBondContact O-N 3.22Å; R235-S239 PolarHBondContact O-OG 2.93Å; R235-I247 HydrophobicContact CB-CD1 3.62Å; R235-I247 HydrophobicContact CG-CD1 4.29Å
236D95.4Very high95.1Very high106 Ų10669.1 Ų69.157%0.56734%0.338SS*.Hα-helixtrans-66.3-41.8-178.2-83.51.8000111.6E232 D233E232-D236 WeakPolarHBondContact O-CB 3.46Å; E232-D236 PolarHBondContact O-N 3.11Å; D233-D236 PolarHBondContact O-N 3.27Å
237E94.3Very high95.2Very high54 Ų5466.5 Ų66.525%0.25233%0.326SS..Hα-helixtrans-67.6-43.5176.6-168.562.9-154.800111.6D233 S239 K240 Y241 L281 R284D233-E237 WeakPolarHBondContact O-CB 3.34Å; D233-E237 PolarHBondContact O-N 2.69Å; E237-S239 PolarHBondContact O-N 3.46Å; E237-K240 WeakPolarHBondContact O-CB 3.49Å; E237-K240 PolarHBondContact O-N 3.38Å; E237-K240 IonicContact OE1-NZ 3.36Å; E237-K240 IonicContact OE2-NZ 3.19Å; E237-K240 PolarHBondContact OE2-NZ 2.88Å; E237-Y241 WeakPolarHBondContact O-CD2 3.23Å; E237-Y241 WeakPolarHBondContact O-CE2 3.4Å; E237-L281 HydrophobicContact CG-CD2 3.9Å; E237-R284 IonicContact OE1-CZ 3.23Å; E237-R284 IonicContact OE1-NH1 2.89Å; E237-R284 PolarHBondContact OE1-NH1 3.2Å
238C95.3Very high95.3Very high2 Ų266.2 Ų66.21%0.01433%0.327CS..Hα-helixtrans-68.9-33179.2-70.40000112.8V234 R235 K240 Y241 V244 V266 F268V234-C238 WeakPolarHBondContact O-CB 3.41Å; V234-C238 PolarHBondContact O-N 3.36Å; V234-C238 PolarHBondContact O-SG 2.94Å; R235-C238 PolarHBondContact O-N 3.41Å; C238-K240 PolarHBondContact O-N 2.84Å; C238-K240 VanDerWaalsContact O-N 3.13Å; C238-Y241 PolarHBondContact O-N 3.36Å; C238-V244 HydrophobicContact CB-CG2 3.68Å; C238-V266 HydrophobicContact CB-CG1 4.17Å; C238-F268 HydrophobicContact CB-CE1 4.23Å; C238-F268 HydrophobicContact CB-CZ 3.94Å
239S96.3Very high95.3Very high57 Ų5760.1 Ų60.140%0.39930%0.298SS..Hα-helixtrans-64.2-17179.7-64.20000113.4R235 E237 Y241 G242R235-S239 WeakPolarHBondContact O-CB 3.48Å; R235-S239 PolarHBondContact O-N 3.22Å; R235-S239 PolarHBondContact O-OG 2.93Å; E237-S239 PolarHBondContact O-N 3.46Å; S239-Y241 PolarHBondContact O-N 2.9Å; S239-G242 WeakPolarHBondContact CA-O 3.18Å
240K96.1Very high95.2Very high141 Ų14154.9 Ų54.961%0.61327%0.274SS*.THydrogen-bonded Turntrans-67.2-20.6172.5-64.3170.4-173.7170.20113.1E237 C238E237-K240 WeakPolarHBondContact O-CB 3.49Å; E237-K240 PolarHBondContact O-N 3.38Å; E237-K240 IonicContact OE1-NZ 3.36Å; E237-K240 IonicContact OE2-NZ 3.19Å; E237-K240 PolarHBondContact OE2-NZ 2.88Å; C238-K240 PolarHBondContact O-N 2.84Å; C238-K240 VanDerWaalsContact O-N 3.13Å
241Y95.6Very high95.1Very high36 Ų3658 Ų5814%0.14129%0.285CS..THydrogen-bonded Turntrans-103.3-27.4-175.2-58.2-78.2000113.2E237 C238 S239 K276 A277 L281 R284E237-Y241 WeakPolarHBondContact O-CD2 3.23Å; E237-Y241 WeakPolarHBondContact O-CE2 3.4Å; C238-Y241 PolarHBondContact O-N 3.36Å; S239-Y241 PolarHBondContact O-N 2.9Å; Y241-K276 HydrophobicContact CD1-CB 4.45Å; Y241-K276 VanDerWaalsContact O-CE 3.29Å; Y241-K276 WeakPolarHBondContact O-CE 3.45Å; Y241-K276 PolarHBondContact O-NZ 3.06Å; Y241-A277 HydrophobicContact CD2-CB 4.16Å; Y241-A277 HydrophobicContact CG-CB 3.99Å; Y241-L281 HydrophobicContact CE2-CD1 4.47Å; Y241-L281 HydrophobicContact CE2-CD2 3.79Å; Y241-L281 HydrophobicContact CE2-CG 3.93Å; Y241-R284 PolarHBondContact OH-NH1 3.27Å; Y241-R284 PolarHBondContact OH-NH2 3.47Å
242G93.9Very high94.9Very high14 Ų1458.2 Ų58.214%0.14429%0.287CS..SBendtrans175-178.2178.300000112.4S239 V244 D273S239-G242 WeakPolarHBondContact CA-O 3.18Å; G242-V244 PolarHBondContact O-N 3.35Å; G242-D273 WeakPolarHBondContact CA-OD2 3.45Å
243L94.9Very high94.5Very high117 Ų11756 Ų5661%0.61328%0.283SS*.  trans-78.7117.9-176.1-172.964.4000110.7F268 T269 D273L243-F268 WeakPolarHBondContact O-CA 3.41Å; L243-T269 HydrophobicContact CB-CG2 4.01Å; L243-T269 HydrophobicContact CD2-CG2 3.86Å; L243-T269 HydrophobicContact CG-CG2 4.01Å; L243-T269 PolarHBondContact O-N 2.86Å; L243-T269 VanDerWaalsContact O-N 3.08Å; L243-D273 PolarHBondContact N-OD2 3.37Å
244V97.1Very high94Very high10 Ų1059 Ų596%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-80.1118.3176.9-1800000109.8C238 G242 I247 V266 F268C238-V244 HydrophobicContact CB-CG2 3.68Å; G242-V244 PolarHBondContact O-N 3.35Å; V244-I247 HydrophobicContact CG1-CD1 3.96Å; V244-I247 HydrophobicContact CG1-CG1 3.67Å; V244-V266 HydrophobicContact CG1-CG1 3.84Å; V244-V266 HydrophobicContact CG2-CG1 4.16Å; V244-F268 HydrophobicContact CG2-CD1 4.38Å; V244-F268 HydrophobicContact CG2-CE1 3.96Å
245K96.2Very high93.2Very high123 Ų12363 Ų6354%0.53534%0.341SS..EExtended strand (participates in β ladder)trans-84.2-47.4179-178.4177.5162-149.10111.4E267 T269K245-E267 HydrophobicContact CB-CG 4.32Å; K245-E267 WeakPolarHBondContact CB-O 3.29Å; K245-E267 HydrophobicContact CD-CG 4.26Å; K245-E267 VanDerWaalsContact CD-OE2 3.3Å; K245-E267 WeakPolarHBondContact CD-OE2 3.28Å; K245-E267 WeakPolarHBondContact CE-OE2 3.44Å; K245-E267 WeakPolarHBondContact CG-OE2 3.44Å; K245-E267 PolarHBondContact N-O 3.39Å; K245-E267 IonicContact NZ-OE1 3.99Å; K245-E267 PolarHBondContact NZ-OE1 2.8Å; K245-E267 IonicContact NZ-OE2 3Å; K245-E267 PolarHBondContact NZ-OE2 3.04Å; K245-T269 HydrophobicContact CB-CG2 4.33Å
246S96.5Very high92.8Very high33 Ų3362.4 Ų62.423%0.23135%0.349CS..EExtended strand (participates in β ladder)trans-151.4154.6178.4640000111.4E267 Y301S246-E267 PolarHBondContact N-O 2.94Å; S246-E267 PolarHBondContact O-N 3.02Å; S246-E267 VanDerWaalsContact OG-CB 3.25Å; S246-E267 WeakPolarHBondContact OG-CB 3.43Å; S246-E267 PolarHBondContact OG-OE2 2.71Å; S246-Y301 PolarHBondContact OG-OH 3.39Å
247I96.2Very high91.8Very high25 Ų2565 Ų6513%0.12836%0.358CS..EExtended strand (participates in β ladder)trans-130.4133.1173.8-65.8172000106.5V234 R235 V244 I249 I264 F265 V266V234-I247 HydrophobicContact CG1-CD1 4.28Å; R235-I247 HydrophobicContact CB-CD1 3.62Å; R235-I247 HydrophobicContact CG-CD1 4.29Å; V244-I247 HydrophobicContact CG1-CD1 3.96Å; V244-I247 HydrophobicContact CG1-CG1 3.67Å; I247-I249 HydrophobicContact CG2-CD1 4.3Å; I247-I249 HydrophobicContact CG2-CG1 3.97Å; I247-I264 HydrophobicContact CG2-CG2 4.19Å; I247-F265 CarbonylContact C-O 3.53Å; I247-F265 VanDerWaalsContact CA-O 3.29Å; I247-F265 WeakPolarHBondContact CA-O 3.22Å; I247-V266 HydrophobicContact CG1-CG1 4.22Å; I247-V266 HydrophobicContact CG1-CG2 4.37Å
248E95.3Very high91.3Very high48 Ų4864 Ų6422%0.22436%0.355CS..EExtended strand (participates in β ladder)trans-126.3129.4171.8-169.876.1-154.700109.7F265 Y301 R304 F306E248-F265 HydrophobicContact CB-CB 4.43Å; E248-F265 PolarHBondContact N-O 2.88Å; E248-F265 PolarHBondContact O-N 3.43Å; E248-Y301 HydrophobicContact CB-CE2 3.77Å; E248-R304 IonicContact OE1-CZ 3.37Å; E248-R304 IonicContact OE1-NH1 2.67Å; E248-R304 PolarHBondContact OE1-NH1 3.35Å; E248-R304 IonicContact OE1-NH2 2.77Å; E248-R304 PolarHBondContact OE1-NH2 3.02Å; E248-R304 IonicContact OE2-NH1 3.13Å; E248-F306 HydrophobicContact CB-CZ 4.44Å; E248-F306 HydrophobicContact CG-CE2 4.14Å; E248-F306 HydrophobicContact CG-CZ 3.76Å
249I94.6Very high90.6Very high2 Ų265.7 Ų65.71%0.0137%0.366CS..  trans-127.9101.7176-50.8-175.4000107.7L221 Y227 I230 V231 I247 R251 I264L221-I249 HydrophobicContact CD1-CG2 3.83Å; L221-I249 HydrophobicContact CD2-CG2 3.77Å; L221-I249 HydrophobicContact CG-CG2 4.46Å; Y227-I249 HydrophobicContact CE2-CB 3.87Å; Y227-I249 HydrophobicContact CE2-CG2 4.17Å; I230-I249 HydrophobicContact CG2-CD1 3.94Å; V231-I249 HydrophobicContact CG2-CD1 3.63Å; V231-I249 HydrophobicContact CG2-CG1 4.39Å; I247-I249 HydrophobicContact CG2-CD1 4.3Å; I247-I249 HydrophobicContact CG2-CG1 3.97Å; I249-R251 PolarHBondContact O-N 3.11Å; I249-I264 HydrophobicContact CD1-CD1 4.11Å; I249-I264 HydrophobicContact CD1-CG1 3.89Å; I249-I264 HydrophobicContact CD1-CG2 4.01Å; I249-I264 HydrophobicContact CG1-CB 4.25Å; I249-I264 HydrophobicContact CG1-CG1 3.92Å; I249-I264 HydrophobicContact CG1-CG2 3.79Å; I249-I264 HydrophobicContact CG2-CG1 4.07Å
250P92.6Very high89.9Confident5 Ų563.4 Ų63.43%0.03235%0.352CS..PPolyproline II helixtrans-63.7120.6179.6-22.634.6000111.1V258 P259 K263 F265 F306P250-V258 HydrophobicContact CB-CG1 3.94Å; P250-P259 WeakPolarHBondContact CB-O 3.19Å; P250-K263 WeakPolarHBondContact CD-O 3.44Å; P250-F265 HydrophobicContact CG-CE2 4.2Å; P250-F306 HydrophobicContact CG-CD2 3.59Å; P250-F306 HydrophobicContact CG-CE2 3.77Å; P250-F306 HydrophobicContact CG-CG 4.34Å
251R92.1Very high89.5Confident79 Ų7958.4 Ų58.430%0.29833%0.334SS..PPolyproline II helixtrans-85.8146177.5-60.6-176.176.2-167.311.1111.1L221 L222 D223 D224 Y227 I249 V258L221-R251 VanDerWaalsContact O-CZ 3.24Å; L221-R251 PolarHBondContact O-NE 3.29Å; L221-R251 PolarHBondContact O-NH2 2.87Å; L222-R251 VanDerWaalsContact C-NH2 3.28Å; L222-R251 PolarHBondContact O-NH2 3.05Å; D223-R251 PolarHBondContact O-NH2 3.23Å; D224-R251 IonicContact OD1-CZ 3.19Å; D224-R251 IonicContact OD1-NH1 3.98Å; D224-R251 PolarHBondContact OD1-NH1 3.49Å; D224-R251 IonicContact OD1-NH2 2.71Å; D224-R251 PolarHBondContact OD1-NH2 2.98Å; Y227-R251 HydrophobicContact CD2-CG 3.78Å; Y227-R251 HydrophobicContact CE2-CG 3.55Å; I249-R251 PolarHBondContact O-N 3.11Å; R251-V258 WeakPolarHBondContact O-CG1 3.27Å; R251-V258 WeakPolarHBondContact O-CG2 3.4Å
252P89.7Confident89Confident35 Ų3557.2 Ų57.223%0.22733%0.333CS..PPolyproline II helixtrans-64.4149.3172.830.2-37.1000111.1P218 L222P218-P252 HydrophobicContact CB-CB 4.38Å; P218-P252 HydrophobicContact CB-CG 4.35Å; P218-P252 VanDerWaalsContact O-CG 3.29Å; P218-P252 WeakPolarHBondContact O-CG 3.32Å; L222-P252 HydrophobicContact CD2-CG 3.61Å; L222-P252 HydrophobicContact CG-CG 3.94Å
253V87.5Confident88.9Confident86 Ų8658.8 Ų58.852%0.52134%0.336SS..BIsolated β-bridgetrans-126130.7172.8176.40000107.9G255 V256 V258V253-G255 PolarHBondContact O-N 3.2Å; V253-V256 HydrophobicContact CB-CB 4.3Å; V253-V256 HydrophobicContact CG1-CB 4.34Å; V253-V256 HydrophobicContact CG1-CG2 4.3Å; V253-V256 PolarHBondContact O-N 3.33Å; V253-V256 VanDerWaalsContact O-O 3.05Å; V253-V258 HydrophobicContact CB-CG2 3.95Å; V253-V258 HydrophobicContact CG2-CG2 3.9Å
254D83.4Confident88.9Confident157 Ų15753.3 Ų53.384%0.8431%0.307SS*.THydrogen-bonded Turntrans-54.8123.2-176.6-84.3-24.9000112.1V256D254-V256 VanDerWaalsContact C-N 3.26Å; D254-V256 PolarHBondContact O-N 3.16Å
255G79.1Confident88.8Confident90 Ų9053.2 Ų53.293%0.92831%0.305SS*.THydrogen-bonded Turntrans75.85.9178.200000115.4V253V253-G255 PolarHBondContact O-N 3.2Å
256V85.9Confident88.8Confident91 Ų9147.3 Ų47.355%0.55228%0.28SS*.BIsolated β-bridgetrans-126.3127.8178.9-175.60000110.2V253 D254 V258V253-V256 HydrophobicContact CB-CB 4.3Å; V253-V256 HydrophobicContact CG1-CB 4.34Å; V253-V256 HydrophobicContact CG1-CG2 4.3Å; V253-V256 PolarHBondContact O-N 3.33Å; V253-V256 VanDerWaalsContact O-O 3.05Å; D254-V256 VanDerWaalsContact C-N 3.26Å; D254-V256 PolarHBondContact O-N 3.16Å; V256-V258 PolarHBondContact O-N 3.1Å
257E75.8Confident88.9Confident161 Ų16146 Ų4675%0.75227%0.27SS*.  trans-72.5111.7171.2-163.7176.1122.300109
258V83.2Confident88.9Confident33 Ų3345 Ų4520%0.227%0.265CS..  trans-91.7120.4-178.81790000109.6P250 R251 V253 V256 G260 C261P250-V258 HydrophobicContact CB-CG1 3.94Å; R251-V258 WeakPolarHBondContact O-CG1 3.27Å; R251-V258 WeakPolarHBondContact O-CG2 3.4Å; V253-V258 HydrophobicContact CB-CG2 3.95Å; V253-V258 HydrophobicContact CG2-CG2 3.9Å; V256-V258 PolarHBondContact O-N 3.1Å; V258-G260 PolarHBondContact O-N 3.47Å; V258-C261 HydrophobicContact CB-CB 4.21Å; V258-C261 VanDerWaalsContact O-CB 3.29Å; V258-C261 WeakPolarHBondContact O-CB 3.38Å; V258-C261 PolarHBondContact O-N 3.36Å; V258-C261 VanDerWaalsContact O-N 3.17Å
259P80.8Confident89Confident37 Ų3746.4 Ų46.424%0.2428%0.277CS..THydrogen-bonded Turntrans-60132179-23.735.5000111.3P250 C261 F306 W307P250-P259 WeakPolarHBondContact CB-O 3.19Å; P259-C261 VanDerWaalsContact C-N 3.26Å; P259-C261 PolarHBondContact O-N 3.16Å; P259-F306 HydrophobicContact CB-CB 4.34Å; P259-W307 HydrophobicContact CB-CD2 3.98Å; P259-W307 HydrophobicContact CB-CE3 4.47Å; P259-W307 HydrophobicContact CB-CG 4.37Å; P259-W307 HydrophobicContact CB-CH2 4.49Å; P259-W307 HydrophobicContact CB-CZ2 4.02Å; P259-W307 HydrophobicContact CG-CD2 4.21Å; P259-W307 VanDerWaalsContact CG-CE2 3.45Å; P259-W307 HydrophobicContact CG-CH2 3.88Å; P259-W307 HydrophobicContact CG-CZ2 3.31Å
260G81.9Confident89Confident9 Ų948.6 Ų48.69%0.09329%0.292CS..THydrogen-bonded Turntrans749179.600000115.4V258 G262 K263V258-G260 PolarHBondContact O-N 3.47Å; G260-G262 PolarHBondContact O-N 2.92Å; G260-K263 VanDerWaalsContact O-CB 3.29Å; G260-K263 WeakPolarHBondContact O-CB 3.45Å; G260-K263 PolarHBondContact O-N 3.07Å
261C87.2Confident89.1Confident36 Ų3650.8 Ų50.824%0.24331%0.306CS..THydrogen-bonded Turntrans-56.1132.7173.4-168.20000110.9V258 P259 K263V258-C261 HydrophobicContact CB-CB 4.21Å; V258-C261 VanDerWaalsContact O-CB 3.29Å; V258-C261 WeakPolarHBondContact O-CB 3.38Å; V258-C261 PolarHBondContact O-N 3.36Å; V258-C261 VanDerWaalsContact O-N 3.17Å; P259-C261 VanDerWaalsContact C-N 3.26Å; P259-C261 PolarHBondContact O-N 3.16Å; C261-K263 VanDerWaalsContact C-N 3.29Å
262G85.9Confident89.3Confident11 Ų1153 Ų5311%0.11332%0.318CS..THydrogen-bonded Turntrans80.92-173.600000115G260G260-G262 PolarHBondContact O-N 2.92Å
263K91.1Very high89.6Confident47 Ų4752.6 Ų52.620%0.20431%0.313CS..  trans-106.9151.3170.3-52.4179.7-170.9167.20109.6M213 P250 G260 C261 F265 F306M213-K263 HydrophobicContact CG-CD 4.38Å; M213-K263 HydrophobicContact CG-CG 4.22Å; P250-K263 WeakPolarHBondContact CD-O 3.44Å; G260-K263 VanDerWaalsContact O-CB 3.29Å; G260-K263 WeakPolarHBondContact O-CB 3.45Å; G260-K263 PolarHBondContact O-N 3.07Å; C261-K263 VanDerWaalsContact C-N 3.29Å; K263-F265 HydrophobicContact CB-CE2 3.85Å; K263-F265 HydrophobicContact CB-CZ 4.06Å; K263-F265 HydrophobicContact CD-CZ 4.12Å; K263-F306 PolarHBondContact NZ-O 3.31Å
264I94.6Very high89.9Confident1 Ų148.5 Ų48.51%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-120.6129.9176.2-59.2169.4000108.5C211 L212 M215 V216 I230 V234 I247 I249 V266C211-I264 CarbonylContact C-O 3.56Å; C211-I264 WeakPolarHBondContact CA-O 3.18Å; L212-I264 HydrophobicContact CB-CB 4.26Å; L212-I264 PolarHBondContact N-O 2.9Å; L212-I264 PolarHBondContact O-N 3.19Å; M215-I264 HydrophobicContact CB-CD1 4.17Å; M215-I264 HydrophobicContact CE-CD1 3.47Å; M215-I264 VanDerWaalsContact CE-CD1 3.47Å; V216-I264 HydrophobicContact CG1-CD1 3.97Å; V216-I264 HydrophobicContact CG2-CD1 3.94Å; V216-I264 HydrophobicContact CG2-CG1 4.01Å; I230-I264 HydrophobicContact CG2-CD1 4.34Å; V234-I264 HydrophobicContact CG1-CG2 3.93Å; V234-I264 HydrophobicContact CG2-CD1 3.83Å; I247-I264 HydrophobicContact CG2-CG2 4.19Å; I249-I264 HydrophobicContact CD1-CD1 4.11Å; I249-I264 HydrophobicContact CD1-CG1 3.89Å; I249-I264 HydrophobicContact CD1-CG2 4.01Å; I249-I264 HydrophobicContact CG1-CB 4.25Å; I249-I264 HydrophobicContact CG1-CG1 3.92Å; I249-I264 HydrophobicContact CG1-CG2 3.79Å; I249-I264 HydrophobicContact CG2-CG1 4.07Å; I264-V266 HydrophobicContact CG2-CG2 4.13Å
265F95.7Very high90.4Very high8 Ų843.2 Ų43.24%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-112.9127.9-179.5-61-90.9000109.6L210 C211 I247 E248 P250 K263 Y301 F306L210-F265 WeakPolarHBondContact O-CA 3.42Å; C211-F265 HydrophobicContact CB-CD1 3.89Å; C211-F265 HydrophobicContact CB-CE1 3.84Å; I247-F265 CarbonylContact C-O 3.53Å; I247-F265 VanDerWaalsContact CA-O 3.29Å; I247-F265 WeakPolarHBondContact CA-O 3.22Å; E248-F265 HydrophobicContact CB-CB 4.43Å; E248-F265 PolarHBondContact N-O 2.88Å; E248-F265 PolarHBondContact O-N 3.43Å; P250-F265 HydrophobicContact CG-CE2 4.2Å; K263-F265 HydrophobicContact CB-CE2 3.85Å; K263-F265 HydrophobicContact CB-CZ 4.06Å; K263-F265 HydrophobicContact CD-CZ 4.12Å; F265-Y301 HydrophobicContact CB-CD2 3.66Å; F265-Y301 HydrophobicContact CB-CE2 3.37Å; F265-Y301 HydrophobicContact CD1-CD2 4.32Å; F265-Y301 HydrophobicContact CG-CD2 4.13Å; F265-Y301 HydrophobicContact CG-CE2 4.23Å; F265-F306 HydrophobicContact CD1-CD1 4.22Å; F265-F306 HydrophobicContact CD1-CE1 4.47Å; F265-F306 AromaticContact CD2-CD1 3.9Å; F265-F306 HydrophobicContact CD2-CD1 3.9Å; F265-F306 AromaticContact CD2-CE1 4Å; F265-F306 HydrophobicContact CD2-CE1 4Å; F265-F306 HydrophobicContact CD2-CG 4.4Å; F265-F306 AromaticContact CE1-CD1 3.86Å; F265-F306 HydrophobicContact CE1-CD1 3.86Å; F265-F306 HydrophobicContact CE2-CB 3.97Å; F265-F306 AromaticContact CE2-CD1 3.52Å; F265-F306 HydrophobicContact CE2-CD1 3.52Å; F265-F306 HydrophobicContact CE2-CD2 4.37Å; F265-F306 HydrophobicContact CE2-CE1 4.09Å; F265-F306 AromaticContact CE2-CG 3.7Å; F265-F306 HydrophobicContact CE2-CG 3.7Å; F265-F306 HydrophobicContact CG-CD1 4.24Å; F265-F306 HydrophobicContact CG-CE1 4.2Å; F265-F306 HydrophobicContact CZ-CB 3.73Å; F265-F306 AromaticContact CZ-CD1 3.5Å; F265-F306 HydrophobicContact CZ-CD1 3.5Å; F265-F306 VanDerWaalsContact CZ-CD1 3.5Å; F265-F306 HydrophobicContact CZ-CE1 4.36Å; F265-F306 AromaticContact CZ-CG 3.81Å; F265-F306 HydrophobicContact CZ-CG 3.81Å
266V96.9Very high91Very high0 Ų042.4 Ų42.40%023%0.23CC..EExtended strand (participates in β ladder)trans-124116.4-177.3-172.20000108.7V209 L210 L212 V234 C238 V244 I247 I264 F268V209-V266 WeakPolarHBondContact CA-O 3.48Å; L210-V266 PolarHBondContact N-O 2.71Å; L210-V266 PolarHBondContact O-N 3.28Å; L212-V266 HydrophobicContact CD1-CG2 4.04Å; L212-V266 HydrophobicContact CG-CG2 4.49Å; V234-V266 HydrophobicContact CG1-CG2 4.04Å; C238-V266 HydrophobicContact CB-CG1 4.17Å; V244-V266 HydrophobicContact CG1-CG1 3.84Å; V244-V266 HydrophobicContact CG2-CG1 4.16Å; I247-V266 HydrophobicContact CG1-CG1 4.22Å; I247-V266 HydrophobicContact CG1-CG2 4.37Å; I264-V266 HydrophobicContact CG2-CG2 4.13Å; V266-F268 HydrophobicContact CB-CE2 4.07Å; V266-F268 HydrophobicContact CG1-CD2 4.23Å; V266-F268 HydrophobicContact CG1-CE1 4.44Å; V266-F268 HydrophobicContact CG1-CE2 3.64Å; V266-F268 HydrophobicContact CG1-CZ 3.76Å
267E97.3Very high91.4Very high6 Ų638.1 Ų38.13%0.02820%0.204CC..EExtended strand (participates in β ladder)trans-93.4121.3173.4-173.2-171.5-154.200109.3E208 V209 K245 S246 Y301 H302E208-E267 HydrophobicContact CG-CG 4.47Å; V209-E267 HydrophobicContact CG2-CB 4.35Å; V209-E267 HydrophobicContact CG2-CG 4.16Å; K245-E267 HydrophobicContact CB-CG 4.32Å; K245-E267 WeakPolarHBondContact CB-O 3.29Å; K245-E267 HydrophobicContact CD-CG 4.26Å; K245-E267 VanDerWaalsContact CD-OE2 3.3Å; K245-E267 WeakPolarHBondContact CD-OE2 3.28Å; K245-E267 WeakPolarHBondContact CE-OE2 3.44Å; K245-E267 WeakPolarHBondContact CG-OE2 3.44Å; K245-E267 PolarHBondContact N-O 3.39Å; K245-E267 IonicContact NZ-OE1 3.99Å; K245-E267 PolarHBondContact NZ-OE1 2.8Å; K245-E267 IonicContact NZ-OE2 3Å; K245-E267 PolarHBondContact NZ-OE2 3.04Å; S246-E267 PolarHBondContact N-O 2.94Å; S246-E267 PolarHBondContact O-N 3.02Å; S246-E267 VanDerWaalsContact OG-CB 3.25Å; S246-E267 WeakPolarHBondContact OG-CB 3.43Å; S246-E267 PolarHBondContact OG-OE2 2.71Å; E267-Y301 HydrophobicContact CB-CD1 4.45Å; E267-Y301 HydrophobicContact CB-CE1 3.79Å; E267-Y301 HydrophobicContact CG-CE1 4.36Å; E267-H302 IonicContact OE1-CE1 3.44Å; E267-H302 PolarHBondContact OE1-CE1 2.95Å; E267-H302 IonicContact OE1-NE2 2.81Å; E267-H302 PolarHBondContact OE1-NE2 2.9Å; E267-H302 IonicContact OE2-NE2 3.93Å
268F97.4Very high92.1Very high2 Ų231.1 Ų31.11%0.00917%0.171CC..EExtended strand (participates in β ladder)trans-93.4163.3172.7-67.3-89.7000110.7E208 L210 C238 L243 V244 V266 S270 D273 C274 A277E208-F268 PolarHBondContact O-N 2.81Å; L210-F268 HydrophobicContact CB-CE2 4.16Å; L210-F268 HydrophobicContact CD2-CE2 4.46Å; C238-F268 HydrophobicContact CB-CE1 4.23Å; C238-F268 HydrophobicContact CB-CZ 3.94Å; L243-F268 WeakPolarHBondContact O-CA 3.41Å; V244-F268 HydrophobicContact CG2-CD1 4.38Å; V244-F268 HydrophobicContact CG2-CE1 3.96Å; V266-F268 HydrophobicContact CB-CE2 4.07Å; V266-F268 HydrophobicContact CG1-CD2 4.23Å; V266-F268 HydrophobicContact CG1-CE1 4.44Å; V266-F268 HydrophobicContact CG1-CE2 3.64Å; V266-F268 HydrophobicContact CG1-CZ 3.76Å; F268-S270 PolarHBondContact O-N 2.73Å; F268-D273 HydrophobicContact CB-CB 4.13Å; F268-D273 HydrophobicContact CD1-CB 4.08Å; F268-D273 HydrophobicContact CG-CB 4.33Å; F268-C274 HydrophobicContact CB-CB 4.27Å; F268-C274 HydrophobicContact CD2-CB 3.73Å; F268-C274 HydrophobicContact CE2-CB 4.47Å; F268-C274 HydrophobicContact CG-CB 4.22Å; F268-A277 HydrophobicContact CE1-CB 4.05Å; F268-A277 HydrophobicContact CE2-CB 3.78Å; F268-A277 HydrophobicContact CZ-CB 3.36Å
269T95.8Very high92.3Very high79 Ų7937.1 Ų37.149%0.48520%0.197SC..SBendtrans-73.1-16.2173.356.30000113.9L243 K245L243-T269 HydrophobicContact CB-CG2 4.01Å; L243-T269 HydrophobicContact CD2-CG2 3.86Å; L243-T269 HydrophobicContact CG-CG2 4.01Å; L243-T269 PolarHBondContact O-N 2.86Å; L243-T269 VanDerWaalsContact O-N 3.08Å; K245-T269 HydrophobicContact CB-CG2 4.33Å
270S95.6Very high92.7Very high48 Ų4836.2 Ų36.234%0.33620%0.195SC..SBendtrans-145.1141.5-176.3172.80000111.4F268 F272 D273 C274F268-S270 PolarHBondContact O-N 2.73Å; S270-F272 PolarHBondContact O-N 3.33Å; S270-F272 PolarHBondContact OG-N 3.07Å; S270-F272 VanDerWaalsContact OG-N 3.15Å; S270-D273 WeakPolarHBondContact O-CB 3.38Å; S270-D273 PolarHBondContact O-N 2.89Å; S270-D273 VanDerWaalsContact O-N 3.09Å; S270-C274 PolarHBondContact O-N 2.59Å; S270-C274 VanDerWaalsContact O-N 3.12Å
271V95.1Very high93.1Very high51 Ų5136.4 Ų36.431%0.30919%0.193SC..Hα-helixtrans-54.6-36.4170.7-179.60000111.3P206 E208 D273 C274 Q275P206-V271 HydrophobicContact CB-CG1 3.65Å; E208-V271 HydrophobicContact CB-CG2 4.44Å; V271-D273 VanDerWaalsContact C-N 3.34Å; V271-D273 PolarHBondContact O-N 2.83Å; V271-C274 WeakPolarHBondContact O-CB 3.49Å; V271-C274 PolarHBondContact O-N 2.99Å; V271-Q275 HydrophobicContact CG1-CG 4.46Å; V271-Q275 VanDerWaalsContact O-CG 3.3Å; V271-Q275 WeakPolarHBondContact O-CG 3.45Å; V271-Q275 PolarHBondContact O-N 3.1Å
272F94.9Very high93Very high125 Ų12536 Ų3655%0.54819%0.189SC..Hα-helixtrans-66.6-36.4179.7-177.3-104.9000112.6S270 Q275 K276S270-F272 PolarHBondContact O-N 3.33Å; S270-F272 PolarHBondContact OG-N 3.07Å; S270-F272 VanDerWaalsContact OG-N 3.15Å; F272-Q275 PolarHBondContact O-N 3.44Å; F272-K276 HydrophobicContact CD1-CD 4.3Å; F272-K276 VanDerWaalsContact CD1-CE 3.49Å; F272-K276 HydrophobicContact CE1-CD 3.78Å; F272-K276 VanDerWaalsContact CE1-CE 3.41Å; F272-K276 HydrophobicContact CE1-CG 4.38Å; F272-K276 HydrophobicContact CZ-CD 4.24Å; F272-K276 WeakPolarHBondContact O-CE 3Å; F272-K276 PolarHBondContact O-N 2.91Å; F272-K276 VanDerWaalsContact O-N 3.11Å
273D95.9Very high92.8Very high26 Ų2636.2 Ų36.214%0.13919%0.192CC..Hα-helixtrans-69.1-43.2176.2-76.4-5.9000110.9G242 L243 F268 S270 V271 Q275 K276 A277G242-D273 WeakPolarHBondContact CA-OD2 3.45Å; L243-D273 PolarHBondContact N-OD2 3.37Å; F268-D273 HydrophobicContact CB-CB 4.13Å; F268-D273 HydrophobicContact CD1-CB 4.08Å; F268-D273 HydrophobicContact CG-CB 4.33Å; S270-D273 WeakPolarHBondContact O-CB 3.38Å; S270-D273 PolarHBondContact O-N 2.89Å; S270-D273 VanDerWaalsContact O-N 3.09Å; V271-D273 VanDerWaalsContact C-N 3.34Å; V271-D273 PolarHBondContact O-N 2.83Å; D273-Q275 VanDerWaalsContact C-N 3.31Å; D273-Q275 PolarHBondContact O-N 2.82Å; D273-K276 PolarHBondContact O-N 3.39Å; D273-K276 WeakPolarHBondContact OD1-CE 3.43Å; D273-K276 IonicContact OD1-NZ 3.85Å; D273-K276 PolarHBondContact OD1-NZ 2.65Å; D273-A277 PolarHBondContact O-N 2.79Å
274C94.5Very high92.5Very high0 Ų039.4 Ų39.40%020%0.203CC..Hα-helixtrans-58.8-41.2172.5-172.70000112.1T207 F268 S270 V271 A277 M278T207-C274 WeakPolarHBondContact O-CB 3.35Å; T207-C274 PolarHBondContact O-SG 3.32Å; F268-C274 HydrophobicContact CB-CB 4.27Å; F268-C274 HydrophobicContact CD2-CB 3.73Å; F268-C274 HydrophobicContact CE2-CB 4.47Å; F268-C274 HydrophobicContact CG-CB 4.22Å; S270-C274 PolarHBondContact O-N 2.59Å; S270-C274 VanDerWaalsContact O-N 3.12Å; V271-C274 WeakPolarHBondContact O-CB 3.49Å; V271-C274 PolarHBondContact O-N 2.99Å; C274-A277 PolarHBondContact O-N 2.9Å; C274-M278 WeakPolarHBondContact O-CB 3.08Å; C274-M278 PolarHBondContact O-N 3.44Å
275Q92.8Very high91.8Very high47 Ų4745.2 Ų45.222%0.2223%0.228CC..Hα-helixtrans-62.7-42.6175.8-75.8-179.9-36.800112.7P206 V271 F272 D273 M278 Q279 Y295P206-Q275 HydrophobicContact CB-CG 3.93Å; P206-Q275 VanDerWaalsContact CB-NE2 3.3Å; P206-Q275 HydrophobicContact CG-CG 4.48Å; V271-Q275 HydrophobicContact CG1-CG 4.46Å; V271-Q275 VanDerWaalsContact O-CG 3.3Å; V271-Q275 WeakPolarHBondContact O-CG 3.45Å; V271-Q275 PolarHBondContact O-N 3.1Å; F272-Q275 PolarHBondContact O-N 3.44Å; D273-Q275 VanDerWaalsContact C-N 3.31Å; D273-Q275 PolarHBondContact O-N 2.82Å; Q275-M278 PolarHBondContact O-N 3.29Å; Q275-Q279 WeakPolarHBondContact O-CG 3.26Å; Q275-Q279 PolarHBondContact O-N 3.48Å; Q275-Q279 VanDerWaalsContact O-N 3.07Å; Q275-Y295 WeakPolarHBondContact CA-OH 3.48Å; Q275-Y295 HydrophobicContact CG-CE1 4.34Å; Q275-Y295 WeakPolarHBondContact CG-OH 3.2Å
276K93.3Very high91.1Very high73 Ų7347.9 Ų47.932%0.31724%0.24SC..Hα-helixtrans-63.3-44.5174.9-75.5179-72.7162.10111Y241 F272 D273 Q279 G280Y241-K276 HydrophobicContact CD1-CB 4.45Å; Y241-K276 VanDerWaalsContact O-CE 3.29Å; Y241-K276 WeakPolarHBondContact O-CE 3.45Å; Y241-K276 PolarHBondContact O-NZ 3.06Å; F272-K276 HydrophobicContact CD1-CD 4.3Å; F272-K276 VanDerWaalsContact CD1-CE 3.49Å; F272-K276 HydrophobicContact CE1-CD 3.78Å; F272-K276 VanDerWaalsContact CE1-CE 3.41Å; F272-K276 HydrophobicContact CE1-CG 4.38Å; F272-K276 HydrophobicContact CZ-CD 4.24Å; F272-K276 WeakPolarHBondContact O-CE 3Å; F272-K276 PolarHBondContact O-N 2.91Å; F272-K276 VanDerWaalsContact O-N 3.11Å; D273-K276 PolarHBondContact O-N 3.39Å; D273-K276 WeakPolarHBondContact OD1-CE 3.43Å; D273-K276 IonicContact OD1-NZ 3.85Å; D273-K276 PolarHBondContact OD1-NZ 2.65Å; K276-Q279 PolarHBondContact O-N 3.48Å; K276-G280 PolarHBondContact O-N 3.45Å
277A94.1Very high90.3Very high0 Ų050.9 Ų50.90%027%0.265CS..Hα-helixtrans-60.4-46.4176.800000111.1L210 Y241 F268 D273 C274 Q279 G280 L281L210-A277 HydrophobicContact CD2-CB 3.97Å; Y241-A277 HydrophobicContact CD2-CB 4.16Å; Y241-A277 HydrophobicContact CG-CB 3.99Å; F268-A277 HydrophobicContact CE1-CB 4.05Å; F268-A277 HydrophobicContact CE2-CB 3.78Å; F268-A277 HydrophobicContact CZ-CB 3.36Å; D273-A277 PolarHBondContact O-N 2.79Å; C274-A277 PolarHBondContact O-N 2.9Å; A277-Q279 PolarHBondContact O-N 2.7Å; A277-G280 PolarHBondContact O-N 2.75Å; A277-G280 VanDerWaalsContact O-N 3.13Å; A277-L281 HydrophobicContact CB-CD1 4.18Å; A277-L281 VanDerWaalsContact O-CB 3.26Å; A277-L281 WeakPolarHBondContact O-CB 3.5Å; A277-L281 VanDerWaalsContact O-CG 3.22Å; A277-L281 WeakPolarHBondContact O-CG 3.4Å; A277-L281 PolarHBondContact O-N 2.75Å
278M90.4Very high89.4Confident14 Ų1456.7 Ų56.77%0.06930%0.296CS..Hα-helixtrans-55.1-50176.1-167.6-155.6-170.700111.5M202 L210 C274 Q275 G280 T282 T293 Y295M202-M278 HydrophobicContact CB-CE 4.47Å; L210-M278 HydrophobicContact CD1-CB 3.86Å; L210-M278 HydrophobicContact CD1-CG 3.9Å; L210-M278 HydrophobicContact CD2-CB 4.34Å; C274-M278 WeakPolarHBondContact O-CB 3.08Å; C274-M278 PolarHBondContact O-N 3.44Å; Q275-M278 PolarHBondContact O-N 3.29Å; M278-G280 VanDerWaalsContact C-N 3.29Å; M278-G280 PolarHBondContact O-N 2.86Å; M278-T282 VanDerWaalsContact O-CB 3.24Å; M278-T282 WeakPolarHBondContact O-CB 3.33Å; M278-T282 PolarHBondContact O-N 2.94Å; M278-T282 PolarHBondContact O-OG1 2.99Å; M278-T293 WeakPolarHBondContact CG-OG1 3.28Å; M278-Y295 HydrophobicContact CB-CE1 4.42Å; M278-Y295 HydrophobicContact CE-CD2 4.48Å; M278-Y295 HydrophobicContact CE-CE2 4.08Å; M278-Y295 HydrophobicContact SD-CD2 4.21Å; M278-Y295 HydrophobicContact SD-CE1 4.23Å; M278-Y295 HydrophobicContact SD-CE2 3.34Å; M278-Y295 WeakPolarHBondContact SD-CE2 3.23Å; M278-Y295 PolarHBondContact SD-OH 3.42Å
279Q87.8Confident88.6Confident160 Ų16057.8 Ų57.875%0.74830%0.3SS*.Hα-helixtrans-64.2-35.2179.3-70.6174.828.500112.7Q275 K276 A277Q275-Q279 WeakPolarHBondContact O-CG 3.26Å; Q275-Q279 PolarHBondContact O-N 3.48Å; Q275-Q279 VanDerWaalsContact O-N 3.07Å; K276-Q279 PolarHBondContact O-N 3.48Å; A277-Q279 PolarHBondContact O-N 2.7Å
280G88.1Confident88Confident18 Ų1854.6 Ų54.619%0.18628%0.28CS..Hα-helixtrans-76.6-37.9-17900000113.7K276 A277 M278 R284K276-G280 PolarHBondContact O-N 3.45Å; A277-G280 PolarHBondContact O-N 2.75Å; A277-G280 VanDerWaalsContact O-N 3.13Å; M278-G280 VanDerWaalsContact C-N 3.29Å; M278-G280 PolarHBondContact O-N 2.86Å; G280-R284 VanDerWaalsContact O-CD 3.25Å; G280-R284 WeakPolarHBondContact O-CD 3.49Å; G280-R284 WeakPolarHBondContact O-CG 3.25Å; G280-R284 PolarHBondContact O-NE 3.44Å
281L90.6Very high87.7Confident12 Ų1252.6 Ų52.66%0.06327%0.266CS..Hα-helixtrans-94.2-31.7-170.1-63.6172000113.1L210 L212 E237 Y241 A277 G283 R284 T293L210-L281 HydrophobicContact CD2-CD1 4.26Å; L212-L281 HydrophobicContact CD1-CD1 4.28Å; L212-L281 HydrophobicContact CD2-CB 4.44Å; L212-L281 HydrophobicContact CD2-CD1 3.94Å; E237-L281 HydrophobicContact CG-CD2 3.9Å; Y241-L281 HydrophobicContact CE2-CD1 4.47Å; Y241-L281 HydrophobicContact CE2-CD2 3.79Å; Y241-L281 HydrophobicContact CE2-CG 3.93Å; A277-L281 HydrophobicContact CB-CD1 4.18Å; A277-L281 VanDerWaalsContact O-CB 3.26Å; A277-L281 WeakPolarHBondContact O-CB 3.5Å; A277-L281 VanDerWaalsContact O-CG 3.22Å; A277-L281 WeakPolarHBondContact O-CG 3.4Å; A277-L281 PolarHBondContact O-N 2.75Å; L281-G283 PolarHBondContact O-N 2.97Å; L281-R284 WeakPolarHBondContact O-CB 3.05Å; L281-R284 PolarHBondContact O-N 2.88Å; L281-R284 VanDerWaalsContact O-N 3.12Å; L281-T293 HydrophobicContact CB-CG2 4.28Å
282T85.2Confident87.2Confident27 Ų2750.1 Ų50.117%0.16625%0.251CS..THydrogen-bonded Turntrans-59.1127.9-179.3-58.50000111.5M159 M278 R284 T293M159-T282 HydrophobicContact CG-CG2 3.46Å; M159-T282 VanDerWaalsContact CG-CG2 3.46Å; M159-T282 HydrophobicContact SD-CG2 4.21Å; M278-T282 VanDerWaalsContact O-CB 3.24Å; M278-T282 WeakPolarHBondContact O-CB 3.33Å; M278-T282 PolarHBondContact O-N 2.94Å; M278-T282 PolarHBondContact O-OG1 2.99Å; T282-R284 PolarHBondContact O-N 3.09Å; T282-T293 WeakPolarHBondContact OG1-CG2 3.35Å; T282-T293 PolarHBondContact OG1-OG1 3.07Å
283G80.7Confident86.9Confident16 Ų1644.3 Ų44.317%0.16523%0.225CC..THydrogen-bonded Turntrans78.2-0.3177.900000114.7Q160 L281 V291Q160-G283 WeakPolarHBondContact O-CA 3.35Å; L281-G283 PolarHBondContact O-N 2.97Å; G283-V291 PolarHBondContact N-O 2.98Å
284R86Confident86.5Confident115 Ų11545.9 Ų45.943%0.43423%0.231SC..  trans-67.5161.8169.3-72.2-162.6175.7-172.73.6110.8E237 Y241 G280 L281 T282 V290 V291E237-R284 IonicContact OE1-CZ 3.23Å; E237-R284 IonicContact OE1-NH1 2.89Å; E237-R284 PolarHBondContact OE1-NH1 3.2Å; Y241-R284 PolarHBondContact OH-NH1 3.27Å; Y241-R284 PolarHBondContact OH-NH2 3.47Å; G280-R284 VanDerWaalsContact O-CD 3.25Å; G280-R284 WeakPolarHBondContact O-CD 3.49Å; G280-R284 WeakPolarHBondContact O-CG 3.25Å; G280-R284 PolarHBondContact O-NE 3.44Å; L281-R284 WeakPolarHBondContact O-CB 3.05Å; L281-R284 PolarHBondContact O-N 2.88Å; L281-R284 VanDerWaalsContact O-N 3.12Å; T282-R284 PolarHBondContact O-N 3.09Å; R284-V290 CarbonylContact O-C 3.49Å; R284-V290 WeakPolarHBondContact O-CA 3.42Å; R284-V291 WeakPolarHBondContact O-CG2 3.39Å; R284-V291 PolarHBondContact O-N 3.42Å
285K80.3Confident86.3Confident122 Ų12246.9 Ų46.953%0.5324%0.235SC..EExtended strand (participates in β ladder)trans-98134.9172.8-70.1-173.9176.1-173.30110.9R289K285-R289 CarbonylContact C-O 3.57Å; K285-R289 WeakPolarHBondContact CA-O 3.49Å
286F81.4Confident86.1Confident65 Ų6545.8 Ų45.829%0.28523%0.232SC..EExtended strand (participates in β ladder)trans-132.8125.1168.3-174.2-89.5000107.4M215 N288 R289 V291M215-F286 HydrophobicContact CB-CD1 4.26Å; M215-F286 VanDerWaalsContact O-CD1 3.3Å; M215-F286 WeakPolarHBondContact O-CD1 3.23Å; F286-N288 VanDerWaalsContact C-N 3.26Å; F286-N288 PolarHBondContact O-N 3.25Å; F286-N288 VanDerWaalsContact O-N 3.13Å; F286-R289 PolarHBondContact N-O 2.98Å; F286-R289 WeakPolarHBondContact O-CA 3.29Å; F286-R289 WeakPolarHBondContact O-CB 3.31Å; F286-R289 PolarHBondContact O-N 2.84Å; F286-V291 HydrophobicContact CB-CG2 3.91Å
287A80Confident85.9Confident63 Ų6346.2 Ų46.252%0.52124%0.238SC..THydrogen-bonded Turntrans47.342.4-175.900000114.9R289A287-R289 PolarHBondContact O-N 3.21Å; A287-R289 VanDerWaalsContact O-N 3.15Å
288N77.1Confident85.7Confident127 Ų12747 Ų4768%0.67924%0.243SC*.THydrogen-bonded Turntrans66.1-4.5-171.8-72.5-38.8000117.1F286F286-N288 VanDerWaalsContact C-N 3.26Å; F286-N288 PolarHBondContact O-N 3.25Å; F286-N288 VanDerWaalsContact O-N 3.13Å
289R81.1Confident85.6Confident26 Ų2651.6 Ų51.610%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-86.6154173.9-47.6-169.1176.71048.5110.6E113 N214 L217 E220 K285 F286 A287E113-R289 WeakPolarHBondContact OE1-CD 3.44Å; E113-R289 VanDerWaalsContact OE1-CG 3.25Å; E113-R289 WeakPolarHBondContact OE1-CG 3.41Å; E113-R289 IonicContact OE1-NE 2.74Å; E113-R289 PolarHBondContact OE1-NE 3.32Å; N214-R289 WeakPolarHBondContact O-CB 3.33Å; L217-R289 VanDerWaalsContact CG-NH2 3.31Å; E220-R289 IonicContact OE1-CZ 3.78Å; E220-R289 IonicContact OE1-NH1 2.71Å; E220-R289 PolarHBondContact OE1-NH1 2.81Å; E220-R289 IonicContact OE1-NH2 3.73Å; E220-R289 PolarHBondContact OE1-NH2 3.13Å; E220-R289 IonicContact OE2-CZ 3.6Å; E220-R289 IonicContact OE2-NH1 2.95Å; E220-R289 PolarHBondContact OE2-NH1 2.84Å; K285-R289 CarbonylContact C-O 3.57Å; K285-R289 WeakPolarHBondContact CA-O 3.49Å; F286-R289 PolarHBondContact N-O 2.98Å; F286-R289 WeakPolarHBondContact O-CA 3.29Å; F286-R289 WeakPolarHBondContact O-CB 3.31Å; F286-R289 PolarHBondContact O-N 2.84Å; A287-R289 PolarHBondContact O-N 3.21Å; A287-R289 VanDerWaalsContact O-N 3.15Å
290V83.8Confident85.6Confident12 Ų1245.5 Ų45.57%0.07324%0.243CC..EExtended strand (participates in β ladder)trans-97.1117.2179.3173.40000108.7L114 M159 L161 N214 R284 V292L114-V290 HydrophobicContact CD1-CB 4.21Å; L114-V290 HydrophobicContact CD1-CG1 4.03Å; M159-V290 HydrophobicContact CE-CG1 3.88Å; L161-V290 HydrophobicContact CD1-CB 4.27Å; L161-V290 HydrophobicContact CD1-CG1 3.4Å; L161-V290 VanDerWaalsContact CD1-CG1 3.4Å; L161-V290 HydrophobicContact CD1-CG2 3.83Å; N214-V290 VanDerWaalsContact CB-O 3.26Å; N214-V290 WeakPolarHBondContact CB-O 3.29Å; N214-V290 PolarHBondContact ND2-N 3.44Å; N214-V290 PolarHBondContact ND2-O 2.88Å; R284-V290 CarbonylContact O-C 3.49Å; R284-V290 WeakPolarHBondContact O-CA 3.42Å; V290-V292 PolarHBondContact O-N 3.41Å
291V87.8Confident85.7Confident5 Ų545.5 Ų45.53%0.0324%0.238CC..PPolyproline II helixtrans-64.9124.2178.6-176.20000110L212 M215 G283 R284 F286 T293L212-V291 HydrophobicContact CD2-CG1 4.41Å; M215-V291 HydrophobicContact CG-CB 4.25Å; M215-V291 HydrophobicContact CG-CG1 3.82Å; M215-V291 HydrophobicContact CG-CG2 3.79Å; M215-V291 HydrophobicContact SD-CB 4.17Å; M215-V291 HydrophobicContact SD-CG1 3.58Å; M215-V291 VanDerWaalsContact SD-CG1 3.58Å; M215-V291 HydrophobicContact SD-CG2 3.5Å; M215-V291 VanDerWaalsContact SD-CG2 3.5Å; G283-V291 PolarHBondContact N-O 2.98Å; R284-V291 WeakPolarHBondContact O-CG2 3.39Å; R284-V291 PolarHBondContact O-N 3.42Å; F286-V291 HydrophobicContact CB-CG2 3.91Å; V291-T293 HydrophobicContact CG1-CG2 4.11Å
292V85.3Confident85.7Confident0 Ų049.6 Ų49.60%026%0.256CS..EExtended strand (participates in β ladder)trans-106.4141.6171.6-173.80000108.3L114 F118 L156 M159 M213 N214 V290L114-V292 HydrophobicContact CD1-CG2 3.16Å; L114-V292 HydrophobicContact CG-CG2 4.5Å; F118-V292 HydrophobicContact CE2-CG1 3.82Å; F118-V292 HydrophobicContact CZ-CG1 3.68Å; L156-V292 HydrophobicContact CD2-CG1 4.27Å; L156-V292 HydrophobicContact CD2-CG2 4.46Å; M159-V292 HydrophobicContact SD-CG1 4.31Å; M159-V292 HydrophobicContact SD-CG2 4.26Å; M213-V292 HydrophobicContact CB-CB 4.21Å; M213-V292 HydrophobicContact CE-CB 4.27Å; M213-V292 HydrophobicContact CE-CG1 3.83Å; M213-V292 PolarHBondContact N-O 3.12Å; M213-V292 PolarHBondContact O-N 3.26Å; N214-V292 HydrophobicContact CB-CG2 4.31Å; V290-V292 PolarHBondContact O-N 3.41Å
293T88.9Confident85.8Confident2 Ų256.2 Ų56.21%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-128.3151.5177.479.90000112.5C211 L212 M278 L281 T282 V291C211-T293 WeakPolarHBondContact O-CA 3.41Å; L212-T293 HydrophobicContact CD2-CG2 3.51Å; M278-T293 WeakPolarHBondContact CG-OG1 3.28Å; L281-T293 HydrophobicContact CB-CG2 4.28Å; T282-T293 WeakPolarHBondContact OG1-CG2 3.35Å; T282-T293 PolarHBondContact OG1-OG1 3.07Å; V291-T293 HydrophobicContact CG1-CG2 4.11Å
294K87.2Confident86Confident59 Ų5962.4 Ų62.426%0.25730%0.297SS..EExtended strand (participates in β ladder)trans-148.1143.2176.8-178.9-173.8171.9-169.30108.9Q151 C211 M213Q151-K294 VanDerWaalsContact OE1-NZ 3.13Å; C211-K294 PolarHBondContact N-O 3.47Å; C211-K294 PolarHBondContact O-N 3.37Å; M213-K294 HydrophobicContact CE-CB 3.48Å; M213-K294 VanDerWaalsContact CE-CB 3.48Å
295Y89.9Confident86Confident22 Ų2260.1 Ų60.19%0.08629%0.293CS..EExtended strand (participates in β ladder)trans-70.7137.8169.9-65.3-68000110.1G203 H205 P206 L210 Q275 M278G203-Y295 WeakPolarHBondContact O-CD2 3.38Å; G203-Y295 PolarHBondContact O-N 3.19Å; H205-Y295 WeakPolarHBondContact O-CB 3.29Å; P206-Y295 HydrophobicContact CB-CE1 4.23Å; P206-Y295 HydrophobicContact CB-CE2 4.22Å; P206-Y295 HydrophobicContact CG-CE2 4.18Å; L210-Y295 HydrophobicContact CD1-CD1 4.45Å; Q275-Y295 WeakPolarHBondContact CA-OH 3.48Å; Q275-Y295 HydrophobicContact CG-CE1 4.34Å; Q275-Y295 WeakPolarHBondContact CG-OH 3.2Å; M278-Y295 HydrophobicContact CB-CE1 4.42Å; M278-Y295 HydrophobicContact CE-CD2 4.48Å; M278-Y295 HydrophobicContact CE-CE2 4.08Å; M278-Y295 HydrophobicContact SD-CD2 4.21Å; M278-Y295 HydrophobicContact SD-CE1 4.23Å; M278-Y295 HydrophobicContact SD-CE2 3.34Å; M278-Y295 WeakPolarHBondContact SD-CE2 3.23Å; M278-Y295 PolarHBondContact SD-OH 3.42Å
296C88.4Confident85.9Confident23 Ų2354.9 Ų54.916%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-110.5145.1175.7-81.80000110.7T207 V209 C211 P298T207-C296 WeakPolarHBondContact CB-O 3.37Å; T207-C296 VanDerWaalsContact CG2-O 3.32Å; T207-C296 WeakPolarHBondContact CG2-O 3.03Å; T207-C296 PolarHBondContact OG1-O 2.82Å; V209-C296 HydrophobicContact CB-CB 4.03Å; V209-C296 HydrophobicContact CG1-CB 3.79Å; V209-C296 PolarHBondContact O-N 2.88Å; C211-C296 WeakPolarHBondContact CB-SG 3.44Å; C296-P298 WeakPolarHBondContact O-CD 3.21Å
297D89.3Confident84.7Confident82 Ų8261 Ų6144%0.43929%0.292SS..  trans-65.4126.5170.7-179.9-96.8000109.9D299 S300 Y301D297-D299 VanDerWaalsContact C-N 3.33Å; D297-D299 PolarHBondContact O-N 3.22Å; D297-D299 WeakPolarHBondContact OD1-CA 3.46Å; D297-D299 VanDerWaalsContact OD1-CB 3.31Å; D297-D299 WeakPolarHBondContact OD1-CB 3.24Å; D297-D299 PolarHBondContact OD1-N 3.45Å; D297-S300 PolarHBondContact O-N 3.48Å; D297-S300 PolarHBondContact OD1-N 2.79Å; D297-Y301 PolarHBondContact O-N 3.3Å
298P90.2Very high84.9Confident18 Ų1861 Ų6112%0.11728%0.28CS..Hα-helixtrans-61.2-37-179-24.434000113.6E208 V209 C296 Y301 H302E208-P298 VanDerWaalsContact CD-CG 3.4Å; E208-P298 HydrophobicContact CG-CG 4.14Å; E208-P298 VanDerWaalsContact OE1-CG 3.28Å; E208-P298 WeakPolarHBondContact OE1-CG 3.4Å; V209-P298 HydrophobicContact CG2-CB 4.16Å; V209-P298 HydrophobicContact CG2-CG 4.27Å; C296-P298 WeakPolarHBondContact O-CD 3.21Å; P298-Y301 WeakPolarHBondContact O-CB 3.3Å; P298-Y301 PolarHBondContact O-N 2.79Å; P298-H302 PolarHBondContact O-N 2.91Å; P298-H302 PolarHBondContact O-ND1 3.02Å
299D88.4Confident85.3Confident109 Ų10957.5 Ų57.558%0.58326%0.259SS*.Hα-helixtrans-68.2-38.6179.7-69.9-54.7000111.3D297 R303D297-D299 VanDerWaalsContact C-N 3.33Å; D297-D299 PolarHBondContact O-N 3.22Å; D297-D299 WeakPolarHBondContact OD1-CA 3.46Å; D297-D299 VanDerWaalsContact OD1-CB 3.31Å; D297-D299 WeakPolarHBondContact OD1-CB 3.24Å; D297-D299 PolarHBondContact OD1-N 3.45Å; D299-R303 WeakPolarHBondContact O-CB 3.18Å; D299-R303 VanDerWaalsContact O-CG 3.25Å; D299-R303 WeakPolarHBondContact O-CG 3.48Å; D299-R303 PolarHBondContact O-N 3.38Å; D299-R303 VanDerWaalsContact O-N 3.11Å; D299-R303 PolarHBondContact O-NE 2.82Å
300S87.6Confident85.6Confident33 Ų3359.2 Ų59.223%0.23127%0.268CS..Hα-helixtrans-64-42171.2-67.80000111.8D297 R303 R304 D305D297-S300 PolarHBondContact O-N 3.48Å; D297-S300 PolarHBondContact OD1-N 2.79Å; S300-R303 PolarHBondContact O-N 3.25Å; S300-R304 PolarHBondContact O-N 2.8Å; S300-D305 WeakPolarHBondContact O-CB 3.48Å; S300-D305 PolarHBondContact O-N 2.99Å
301Y90.8Very high85.7Confident17 Ų1762 Ų627%0.06728%0.28CS..Hα-helixtrans-60.1-50176.5173.5-108000112.4V209 S246 E248 F265 E267 D297 P298 R303 R304 F306V209-Y301 HydrophobicContact CG1-CD1 4.22Å; V209-Y301 HydrophobicContact CG1-CD2 3.85Å; V209-Y301 HydrophobicContact CG1-CE2 4.47Å; V209-Y301 HydrophobicContact CG1-CG 3.73Å; V209-Y301 HydrophobicContact CG2-CD1 3.9Å; V209-Y301 HydrophobicContact CG2-CG 4.04Å; S246-Y301 PolarHBondContact OG-OH 3.39Å; E248-Y301 HydrophobicContact CB-CE2 3.77Å; F265-Y301 HydrophobicContact CB-CD2 3.66Å; F265-Y301 HydrophobicContact CB-CE2 3.37Å; F265-Y301 HydrophobicContact CD1-CD2 4.32Å; F265-Y301 HydrophobicContact CG-CD2 4.13Å; F265-Y301 HydrophobicContact CG-CE2 4.23Å; E267-Y301 HydrophobicContact CB-CD1 4.45Å; E267-Y301 HydrophobicContact CB-CE1 3.79Å; E267-Y301 HydrophobicContact CG-CE1 4.36Å; D297-Y301 PolarHBondContact O-N 3.3Å; P298-Y301 WeakPolarHBondContact O-CB 3.3Å; P298-Y301 PolarHBondContact O-N 2.79Å; Y301-R303 VanDerWaalsContact C-N 3.27Å; Y301-R303 PolarHBondContact O-N 3.48Å; Y301-R304 PolarHBondContact O-N 3.15Å; Y301-F306 AromaticContact CD2-CE1 3.86Å; Y301-F306 HydrophobicContact CD2-CE1 3.86Å; Y301-F306 HydrophobicContact CE2-CE1 4.36Å
302H89.9Confident85.5Confident99 Ų9965.6 Ų65.646%0.45830%0.295SS..Hα-helixtrans-67.7-27.4-180-62.5146000113.1E267 P298 R304E267-H302 IonicContact OE1-CE1 3.44Å; E267-H302 PolarHBondContact OE1-CE1 2.95Å; E267-H302 IonicContact OE1-NE2 2.81Å; E267-H302 PolarHBondContact OE1-NE2 2.9Å; E267-H302 IonicContact OE2-NE2 3.93Å; P298-H302 PolarHBondContact O-N 2.91Å; P298-H302 PolarHBondContact O-ND1 3.02Å; H302-R304 PolarHBondContact O-N 3.35Å
303R88.6Confident85.6Confident165 Ų16569.9 Ų69.962%0.62332%0.315SS*.THydrogen-bonded Turntrans-80.9-1172.4-69.9-175.1-62.4140.36.3113.7D299 S300 Y301 D305D299-R303 WeakPolarHBondContact O-CB 3.18Å; D299-R303 VanDerWaalsContact O-CG 3.25Å; D299-R303 WeakPolarHBondContact O-CG 3.48Å; D299-R303 PolarHBondContact O-N 3.38Å; D299-R303 VanDerWaalsContact O-N 3.11Å; D299-R303 PolarHBondContact O-NE 2.82Å; S300-R303 PolarHBondContact O-N 3.25Å; Y301-R303 VanDerWaalsContact C-N 3.27Å; Y301-R303 PolarHBondContact O-N 3.48Å; R303-D305 HydrophobicContact CB-CB 4.37Å; R303-D305 IonicContact NH2-OD2 3.77Å; R303-D305 PolarHBondContact O-N 2.88Å
304R84.6Confident85.3Confident147 Ų14774.8 Ų74.856%0.55534%0.337SS*.THydrogen-bonded Turntrans57.333.5-174.4-54.2176.867118.77.8112.8E248 S300 Y301 H302 F306E248-R304 IonicContact OE1-CZ 3.37Å; E248-R304 IonicContact OE1-NH1 2.67Å; E248-R304 PolarHBondContact OE1-NH1 3.35Å; E248-R304 IonicContact OE1-NH2 2.77Å; E248-R304 PolarHBondContact OE1-NH2 3.02Å; E248-R304 IonicContact OE2-NH1 3.13Å; S300-R304 PolarHBondContact O-N 2.8Å; Y301-R304 PolarHBondContact O-N 3.15Å; H302-R304 PolarHBondContact O-N 3.35Å; R304-F306 VanDerWaalsContact CA-CZ 3.49Å; R304-F306 HydrophobicContact CB-CD2 4.48Å; R304-F306 HydrophobicContact CB-CE2 3.74Å; R304-F306 HydrophobicContact CB-CZ 3.82Å; R304-F306 HydrophobicContact CG-CE2 4.29Å; R304-F306 HydrophobicContact CG-CZ 4.08Å; R304-F306 PolarHBondContact O-N 3.24Å
305D84.8Confident85.2Confident67 Ų6776 Ų7636%0.35834%0.343SS..  trans-92.680-179.8-166.418.1000108.9S300 R303S300-D305 WeakPolarHBondContact O-CB 3.48Å; S300-D305 PolarHBondContact O-N 2.99Å; R303-D305 HydrophobicContact CB-CB 4.37Å; R303-D305 IonicContact NH2-OD2 3.77Å; R303-D305 PolarHBondContact O-N 2.88Å
306F79Confident84.8Confident12 Ų1280.5 Ų80.55%0.05336%0.364CS..  trans-95.315.8-168.1-56.3-48.9000115.5E248 P250 P259 K263 F265 Y301 R304E248-F306 HydrophobicContact CB-CZ 4.44Å; E248-F306 HydrophobicContact CG-CE2 4.14Å; E248-F306 HydrophobicContact CG-CZ 3.76Å; P250-F306 HydrophobicContact CG-CD2 3.59Å; P250-F306 HydrophobicContact CG-CE2 3.77Å; P250-F306 HydrophobicContact CG-CG 4.34Å; P259-F306 HydrophobicContact CB-CB 4.34Å; K263-F306 PolarHBondContact NZ-O 3.31Å; F265-F306 HydrophobicContact CD1-CD1 4.22Å; F265-F306 HydrophobicContact CD1-CE1 4.47Å; F265-F306 AromaticContact CD2-CD1 3.9Å; F265-F306 HydrophobicContact CD2-CD1 3.9Å; F265-F306 AromaticContact CD2-CE1 4Å; F265-F306 HydrophobicContact CD2-CE1 4Å; F265-F306 HydrophobicContact CD2-CG 4.4Å; F265-F306 AromaticContact CE1-CD1 3.86Å; F265-F306 HydrophobicContact CE1-CD1 3.86Å; F265-F306 HydrophobicContact CE2-CB 3.97Å; F265-F306 AromaticContact CE2-CD1 3.52Å; F265-F306 HydrophobicContact CE2-CD1 3.52Å; F265-F306 HydrophobicContact CE2-CD2 4.37Å; F265-F306 HydrophobicContact CE2-CE1 4.09Å; F265-F306 AromaticContact CE2-CG 3.7Å; F265-F306 HydrophobicContact CE2-CG 3.7Å; F265-F306 HydrophobicContact CG-CD1 4.24Å; F265-F306 HydrophobicContact CG-CE1 4.2Å; F265-F306 HydrophobicContact CZ-CB 3.73Å; F265-F306 AromaticContact CZ-CD1 3.5Å; F265-F306 HydrophobicContact CZ-CD1 3.5Å; F265-F306 VanDerWaalsContact CZ-CD1 3.5Å; F265-F306 HydrophobicContact CZ-CE1 4.36Å; F265-F306 AromaticContact CZ-CG 3.81Å; F265-F306 HydrophobicContact CZ-CG 3.81Å; Y301-F306 AromaticContact CD2-CE1 3.86Å; Y301-F306 HydrophobicContact CD2-CE1 3.86Å; Y301-F306 HydrophobicContact CE2-CE1 4.36Å; R304-F306 VanDerWaalsContact CA-CZ 3.49Å; R304-F306 HydrophobicContact CB-CD2 4.48Å; R304-F306 HydrophobicContact CB-CE2 3.74Å; R304-F306 HydrophobicContact CB-CZ 3.82Å; R304-F306 HydrophobicContact CG-CE2 4.29Å; R304-F306 HydrophobicContact CG-CZ 4.08Å; R304-F306 PolarHBondContact O-N 3.24Å
307W55.7Low84.4Confident194 Ų19485.7 Ų85.774%0.73538%0.383SS*.  trans-69.30-177.9-60.294.7000112.7P259P259-W307 HydrophobicContact CB-CD2 3.98Å; P259-W307 HydrophobicContact CB-CE3 4.47Å; P259-W307 HydrophobicContact CB-CG 4.37Å; P259-W307 HydrophobicContact CB-CH2 4.49Å; P259-W307 HydrophobicContact CB-CZ2 4.02Å; P259-W307 HydrophobicContact CG-CD2 4.21Å; P259-W307 VanDerWaalsContact CG-CE2 3.45Å; P259-W307 HydrophobicContact CG-CH2 3.88Å; P259-W307 HydrophobicContact CG-CZ2 3.31Å

Retrieved 307 of 307 residues in 179.8 ms (Link to these results)

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