A0A087XTV8_POEFO Loading...

All-trans retinoic acid-induced differentiation factor

AlphaFold DB , UniProt , Accession A0A087XTV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 231 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
1M44Very low48.2Very low214 Ų214123.5 Ų123.5100%1.05466%0.66SS**  0-48.40-89.1178.3-99.100113.9A3 L4 L5M1-A3 PolarHBondContact O-N 2.65Å; M1-L4 PolarHBondContact O-N 2.62Å; M1-L5 PolarHBondContact O-N 2.86Å
2K41.1Very low49.9Very low197 Ų197117.1 Ų117.186%0.85764%0.637SS**Hα-helixtrans-62.4-34.2-179.4-70-178.8176.3-178.40115.7S6K2-S6 PolarHBondContact O-N 2.93Å
3A40.3Very low51.5Low83 Ų83116.5 Ų116.569%0.68663%0.632SS**Hα-helixtrans-74.4-25.6179.800000114.3M1 R7M1-A3 PolarHBondContact O-N 2.65Å; A3-R7 PolarHBondContact O-N 3.19Å
4L39.3Very low52.8Low129 Ų129114.9 Ų114.968%0.67563%0.628SS**Hα-helixtrans-76.4-35.3176-108.1141.9000111.1M1 R7 C8M1-L4 PolarHBondContact O-N 2.62Å; L4-R7 PolarHBondContact O-N 2.97Å; L4-C8 PolarHBondContact O-N 3.31Å; L4-C8 VanDerWaalsContact O-N 3.16Å
5L41.9Very low53.8Low121 Ų121116.2 Ų116.263%0.63463%0.625SS**Hα-helixtrans-67.4-44.6176.6-151.273.4000111.6M1 R7 C8 E9M1-L5 PolarHBondContact O-N 2.86Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 3.43Å; L5-C8 PolarHBondContact O-N 2.8Å; L5-E9 PolarHBondContact O-N 3.28Å
6S47.9Very low54.8Low75 Ų75114.6 Ų114.652%0.52462%0.615SS.*Hα-helixtrans-65.2-32.8176.71720000113.4K2 A10K2-S6 PolarHBondContact O-N 2.93Å; S6-A10 PolarHBondContact O-N 3.36Å; S6-A10 VanDerWaalsContact O-N 3.14Å
7R41.8Very low55.6Low193 Ų193111.8 Ų111.873%0.72860%0.603SS**Hα-helixtrans-71.2-36.6175-166.9176.7-178.5-175.6-0.2111.9A3 L4 L5 V11A3-R7 PolarHBondContact O-N 3.19Å; L4-R7 PolarHBondContact O-N 2.97Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 3.43Å; R7-V11 WeakPolarHBondContact O-CB 3.41Å; R7-V11 WeakPolarHBondContact O-CG2 3.43Å; R7-V11 PolarHBondContact O-N 3.45Å; R7-V11 VanDerWaalsContact O-N 3.08Å
8C50.3Low56.1Low82 Ų82109.6 Ų109.655%0.55459%0.594SS**Hα-helixtrans-66.7-39.4173.1-76.80000112.3L4 L5 V11 A12L4-C8 PolarHBondContact O-N 3.31Å; L4-C8 VanDerWaalsContact O-N 3.16Å; L5-C8 PolarHBondContact O-N 2.8Å; C8-V11 PolarHBondContact O-N 2.8Å; C8-A12 VanDerWaalsContact O-CB 3.24Å; C8-A12 WeakPolarHBondContact O-CB 3.41Å; C8-A12 PolarHBondContact O-N 3.48Å
9E59.1Low56.3Low125 Ų125109.2 Ų109.258%0.58459%0.591SS**Hα-helixtrans-64.8-41.7176.5-73.2-175.3174.500112.4L5 A12 L13L5-E9 PolarHBondContact O-N 3.28Å; E9-A12 PolarHBondContact O-N 3.08Å; E9-L13 WeakPolarHBondContact O-CB 3.34Å; E9-L13 PolarHBondContact O-N 2.82Å
10A59.2Low56.3Low53 Ų53112.5 Ų112.544%0.43860%0.595SS.*Hα-helixtrans-67.2-41.1176.700000112.6S6 L13 V14S6-A10 PolarHBondContact O-N 3.36Å; S6-A10 VanDerWaalsContact O-N 3.14Å; A10-L13 PolarHBondContact O-N 3.19Å; A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 2.97Å
11V65.9Low56.2Low87 Ų87113.4 Ų113.453%0.52759%0.594SS.*Hα-helixtrans-66.4-41.3176.2172.40000110.8R7 C8 V14 F15R7-V11 WeakPolarHBondContact O-CB 3.41Å; R7-V11 WeakPolarHBondContact O-CG2 3.43Å; R7-V11 PolarHBondContact O-N 3.45Å; R7-V11 VanDerWaalsContact O-N 3.08Å; C8-V11 PolarHBondContact O-N 2.8Å; V11-V14 PolarHBondContact O-N 3.43Å; V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 2.88Å
12A68.1Low56.7Low46 Ų46107.9 Ų107.938%0.3857%0.569SS.*Hα-helixtrans-63.6-42175.600000111.9C8 E9 F15 I16C8-A12 VanDerWaalsContact O-CB 3.24Å; C8-A12 WeakPolarHBondContact O-CB 3.41Å; C8-A12 PolarHBondContact O-N 3.48Å; E9-A12 PolarHBondContact O-N 3.08Å; A12-F15 PolarHBondContact O-N 3.46Å; A12-I16 WeakPolarHBondContact O-CB 3.48Å; A12-I16 WeakPolarHBondContact O-CD1 3.42Å; A12-I16 WeakPolarHBondContact O-CG1 3.4Å; A12-I16 PolarHBondContact O-N 3.24Å
13L70.8Confident57.2Low110 Ų110101.3 Ų101.358%0.57655%0.552SS**Hα-helixtrans-61.7-46.2174.8-101.9157.7000112.2E9 A10 F15 I16 V17E9-L13 WeakPolarHBondContact O-CB 3.34Å; E9-L13 PolarHBondContact O-N 2.82Å; A10-L13 PolarHBondContact O-N 3.19Å; L13-F15 VanDerWaalsContact C-N 3.33Å; L13-F15 PolarHBondContact O-N 3.02Å; L13-I16 PolarHBondContact O-N 3.36Å; L13-V17 WeakPolarHBondContact O-CB 3.16Å; L13-V17 WeakPolarHBondContact O-CG2 3.26Å; L13-V17 PolarHBondContact O-N 3.44Å
14V69.4Low57.8Low94 Ų94100.5 Ų100.557%0.5754%0.541SS*.Hα-helixtrans-60.8-44.8175.7172.20000110.3A10 V11 I16 V17 T18A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 2.97Å; V11-V14 PolarHBondContact O-N 3.43Å; V14-I16 PolarHBondContact O-N 2.8Å; V14-V17 PolarHBondContact O-N 2.86Å; V14-T18 WeakPolarHBondContact O-CB 3.3Å; V14-T18 PolarHBondContact O-N 3.37Å; V14-T18 PolarHBondContact O-OG1 2.87Å
15F67.9Low58.3Low134 Ų134103 Ų10359%0.58854%0.543SS*.Hα-helixtrans-62.1-44178.6-130.1-92.5000112.5V11 A12 L13 T18 L19V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 2.88Å; A12-F15 PolarHBondContact O-N 3.46Å; L13-F15 VanDerWaalsContact C-N 3.33Å; L13-F15 PolarHBondContact O-N 3.02Å; F15-T18 PolarHBondContact O-N 3.41Å; F15-L19 HydrophobicContact CD1-CD1 3.92Å; F15-L19 HydrophobicContact CD1-CG 4.32Å; F15-L19 WeakPolarHBondContact O-CB 3.41Å; F15-L19 WeakPolarHBondContact O-CG 3.48Å; F15-L19 PolarHBondContact O-N 3.44Å
16I70.1Confident58.5Low91 Ų91102.2 Ų102.247%0.46754%0.536SS..Hα-helixtrans-63.3-45176.8-69.5165000110.3A12 L13 V14 L19 Y20A12-I16 WeakPolarHBondContact O-CB 3.48Å; A12-I16 WeakPolarHBondContact O-CD1 3.42Å; A12-I16 WeakPolarHBondContact O-CG1 3.4Å; A12-I16 PolarHBondContact O-N 3.24Å; L13-I16 PolarHBondContact O-N 3.36Å; V14-I16 PolarHBondContact O-N 2.8Å; I16-L19 PolarHBondContact O-N 2.91Å; I16-Y20 HydrophobicContact CG2-CD2 3.79Å; I16-Y20 HydrophobicContact CG2-CE2 4.05Å; I16-Y20 WeakPolarHBondContact O-CB 3.32Å; I16-Y20 WeakPolarHBondContact O-CD2 3.23Å; I16-Y20 PolarHBondContact O-N 3.26Å
17V68.1Low58.6Low67 Ų67105.1 Ų105.141%0.40655%0.545SS..Hα-helixtrans-62.6-46.8178.2170.20000110.6L13 V14 L19 Y20 F21L13-V17 WeakPolarHBondContact O-CB 3.16Å; L13-V17 WeakPolarHBondContact O-CG2 3.26Å; L13-V17 PolarHBondContact O-N 3.44Å; V14-V17 PolarHBondContact O-N 2.86Å; V17-L19 VanDerWaalsContact C-N 3.35Å; V17-L19 PolarHBondContact O-N 3.06Å; V17-Y20 PolarHBondContact O-N 2.84Å; V17-F21 HydrophobicContact CG1-CD2 3.51Å; V17-F21 HydrophobicContact CG1-CE2 3.53Å; V17-F21 WeakPolarHBondContact O-CD2 3.31Å; V17-F21 PolarHBondContact O-N 2.87Å
18T64Low59.2Low71 Ų7199.2 Ų99.244%0.43653%0.53SS..Hα-helixtrans-62.9-39.3176.8-52.40000112.2V14 F15 N22V14-T18 WeakPolarHBondContact O-CB 3.3Å; V14-T18 PolarHBondContact O-N 3.37Å; V14-T18 PolarHBondContact O-OG1 2.87Å; F15-T18 PolarHBondContact O-N 3.41Å; T18-N22 WeakPolarHBondContact O-CB 3.35Å; T18-N22 PolarHBondContact O-N 2.78Å; T18-N22 PolarHBondContact O-ND2 2.74Å
19L59.8Low59.6Low103 Ų10396.2 Ų96.254%0.53951%0.513SS..Hα-helixtrans-65.9-43.6175.1-75.5170000112F15 I16 V17 A23F15-L19 HydrophobicContact CD1-CD1 3.92Å; F15-L19 HydrophobicContact CD1-CG 4.32Å; F15-L19 WeakPolarHBondContact O-CB 3.41Å; F15-L19 WeakPolarHBondContact O-CG 3.48Å; F15-L19 PolarHBondContact O-N 3.44Å; I16-L19 PolarHBondContact O-N 2.91Å; V17-L19 VanDerWaalsContact C-N 3.35Å; V17-L19 PolarHBondContact O-N 3.06Å; L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 2.84Å
20Y57.1Low60.3Low174 Ų17492.3 Ų92.368%0.68250%0.496SS*.Hα-helixtrans-62.7-47.2175.9-99.8-87.4000111.6I16 V17 A23 S24I16-Y20 HydrophobicContact CG2-CD2 3.79Å; I16-Y20 HydrophobicContact CG2-CE2 4.05Å; I16-Y20 WeakPolarHBondContact O-CB 3.32Å; I16-Y20 WeakPolarHBondContact O-CD2 3.23Å; I16-Y20 PolarHBondContact O-N 3.26Å; V17-Y20 PolarHBondContact O-N 2.84Å; Y20-A23 PolarHBondContact O-N 2.83Å; Y20-S24 PolarHBondContact O-N 3.33Å; Y20-S24 PolarHBondContact O-OG 3.37Å
21F54.8Low61.5Low132 Ų13295.6 Ų95.658%0.57950%0.502SS*.Hα-helixtrans-64.2-42.3179-83.5-71.4000112.3V17 S24 Y25V17-F21 HydrophobicContact CG1-CD2 3.51Å; V17-F21 HydrophobicContact CG1-CE2 3.53Å; V17-F21 WeakPolarHBondContact O-CD2 3.31Å; V17-F21 PolarHBondContact O-N 2.87Å; F21-S24 PolarHBondContact O-N 3.31Å; F21-Y25 WeakPolarHBondContact O-CD2 3.49Å; F21-Y25 PolarHBondContact O-N 3.14Å; F21-Y25 VanDerWaalsContact O-N 3.11Å
22N54Low62.6Low98 Ų9891.5 Ų91.552%0.52448%0.478SS..Hα-helixtrans-65.7-38.8176.3-77.4-24.6000112.6T18 Y25 Q26T18-N22 WeakPolarHBondContact O-CB 3.35Å; T18-N22 PolarHBondContact O-N 2.78Å; T18-N22 PolarHBondContact O-ND2 2.74Å; N22-Y25 PolarHBondContact O-N 2.86Å; N22-Q26 VanDerWaalsContact O-CG 3.25Å; N22-Q26 WeakPolarHBondContact O-CG 3.02Å; N22-Q26 PolarHBondContact O-N 3.21Å
23A51.9Low63.7Low59 Ų5989.3 Ų89.349%0.48846%0.46SS..Hα-helixtrans-66.4-39.317600000112.1L19 Y20 Y25 Q26 L27L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 2.84Å; Y20-A23 PolarHBondContact O-N 2.83Å; A23-Y25 PolarHBondContact O-N 3.32Å; A23-Q26 PolarHBondContact O-N 2.65Å; A23-L27 PolarHBondContact O-N 3Å
24S51.6Low64.6Low66 Ų6687 Ų8746%0.46245%0.452SS..Hα-helixtrans-63.5-38.6175.8-56.50000112.6Y20 F21 Q26 L27Y20-S24 PolarHBondContact O-N 3.33Å; Y20-S24 PolarHBondContact O-OG 3.37Å; F21-S24 PolarHBondContact O-N 3.31Å; S24-Q26 VanDerWaalsContact C-N 3.29Å; S24-Q26 PolarHBondContact O-N 3.11Å; S24-L27 PolarHBondContact O-N 3.36Å
25Y49.8Very low65.6Low182 Ų18287 Ų8771%0.71445%0.449SS*.Hα-helixtrans-66-30.4175.9-99.1-87.6000113.1F21 N22 A23 T28F21-Y25 WeakPolarHBondContact O-CD2 3.49Å; F21-Y25 PolarHBondContact O-N 3.14Å; F21-Y25 VanDerWaalsContact O-N 3.11Å; N22-Y25 PolarHBondContact O-N 2.86Å; A23-Y25 PolarHBondContact O-N 3.32Å; Y25-T28 PolarHBondContact O-OG1 3.32Å
26Q47.8Very low66.6Low105 Ų10581.6 Ų81.649%0.49143%0.427SS..Hα-helixtrans-79-28.8179.9-69.7-79.3-37.500112.3N22 A23 S24N22-Q26 VanDerWaalsContact O-CG 3.25Å; N22-Q26 WeakPolarHBondContact O-CG 3.02Å; N22-Q26 PolarHBondContact O-N 3.21Å; A23-Q26 PolarHBondContact O-N 2.65Å; S24-Q26 VanDerWaalsContact C-N 3.29Å; S24-Q26 PolarHBondContact O-N 3.11Å
27L49.8Very low67.5Low135 Ų13580.4 Ų80.471%0.70744%0.437SS*.Hα-helixtrans-80.1-27-174-147.575.6000113.7A23 S24A23-L27 PolarHBondContact O-N 3Å; S24-L27 PolarHBondContact O-N 3.36Å
28T53.5Low68.6Low70 Ų7079.5 Ų79.543%0.42944%0.442SS..G310 helixtrans-74.7-24.4-176.248.20000113.7Y25 L30 E31Y25-T28 PolarHBondContact O-OG1 3.32Å; T28-L30 PolarHBondContact O-N 3.02Å; T28-E31 PolarHBondContact O-N 3.09Å
29G58.7Low70Confident18 Ų1880.7 Ų80.719%0.18645%0.449CS..G310 helixtrans-68.6-28.5-175.900000114.9I74G29-I74 VanDerWaalsContact O-CD1 3.27Å; G29-I74 WeakPolarHBondContact O-CD1 3.26Å
30L73.6Confident71.6Confident44 Ų4475.8 Ų75.823%0.2342%0.424CS..G310 helixtrans-91.1-4-179.5-89.6114.5000114.4T28 V32 C33 D58 E72T28-L30 PolarHBondContact O-N 3.02Å; L30-V32 PolarHBondContact O-N 2.92Å; L30-C33 WeakPolarHBondContact O-CB 3.23Å; L30-C33 PolarHBondContact O-N 3.02Å; L30-C33 VanDerWaalsContact O-N 3.16Å; L30-D58 WeakPolarHBondContact CD2-OD2 3.35Å; L30-E72 HydrophobicContact CD1-CB 4.3Å
31E84.1Confident73.1Confident121 Ų12170.8 Ų70.857%0.56541%0.406SS*.G310 helixtrans-62-37.1179-71.9-170.8158.600111.3T28 C33 S34 L35T28-E31 PolarHBondContact O-N 3.09Å; E31-C33 PolarHBondContact O-N 2.95Å; E31-S34 CarbonylContact O-C 3.58Å; E31-S34 WeakPolarHBondContact O-CA 3.48Å; E31-S34 PolarHBondContact O-N 2.02Å; E31-S34 PolarHBondContact O-OG 3.48Å; E31-L35 PolarHBondContact O-N 3.3Å
32V89.5Confident74.9Confident2 Ų270.6 Ų70.61%0.01241%0.411CS..G310 helixtrans-59.4-29.5177.874.60000112.6L30 S34 L35 I74 L77 L90 A93L30-V32 PolarHBondContact O-N 2.92Å; V32-S34 PolarHBondContact O-N 2.85Å; V32-L35 WeakPolarHBondContact O-CB 2.99Å; V32-L35 PolarHBondContact O-N 3.15Å; V32-I74 HydrophobicContact CG1-CD1 3.45Å; V32-I74 VanDerWaalsContact CG1-CD1 3.45Å; V32-L77 HydrophobicContact CG2-CD1 4.21Å; V32-L77 HydrophobicContact CG2-CD2 3.94Å; V32-L90 HydrophobicContact CG2-CB 4.38Å; V32-L90 HydrophobicContact CG2-CD2 3.85Å; V32-A93 HydrophobicContact CG1-CB 4.38Å
33C91.5Very high76.6Confident0 Ų072.3 Ų72.30%042%0.421CS..G310 helixtrans-69.6-16.6176.6-53.80000113L30 E31 K59 R60 C61L30-C33 WeakPolarHBondContact O-CB 3.23Å; L30-C33 PolarHBondContact O-N 3.02Å; L30-C33 VanDerWaalsContact O-N 3.16Å; E31-C33 PolarHBondContact O-N 2.95Å; C33-K59 HydrophobicContact CB-CB 4.45Å; C33-K59 HydrophobicContact CB-CD 4.47Å; C33-K59 WeakPolarHBondContact O-CB 3.46Å; C33-R60 WeakPolarHBondContact O-CB 3.46Å; C33-R60 PolarHBondContact O-N 2.87Å; C33-C61 WeakPolarHBondContact CA-SG 3.42Å; C33-C61 HydrophobicContact CB-CB 3.72Å; C33-C61 WeakPolarHBondContact CB-SG 3.19Å; C33-C61 WeakPolarHBondContact SG-CB 3.44Å; C33-C61 CovalentContact SG-SG 2.03Å; C33-C61 PolarHBondContact SG-SG 3.17Å
34S90.8Very high78.5Confident61 Ų6170.5 Ų70.543%0.42740%0.404SS..G310 helixtrans-11311.3175.135.40000113.9E31 V32 C36 K59E31-S34 CarbonylContact O-C 3.58Å; E31-S34 WeakPolarHBondContact O-CA 3.48Å; E31-S34 PolarHBondContact O-N 2.02Å; E31-S34 PolarHBondContact O-OG 3.48Å; V32-S34 PolarHBondContact O-N 2.85Å; S34-C36 PolarHBondContact O-N 3.28Å; S34-C36 VanDerWaalsContact O-N 3.11Å; S34-K59 PolarHBondContact OG-NZ 2.9Å
35L88.6Confident80.5Confident94 Ų9471.3 Ų71.349%0.49240%0.397SS..SBendtrans-54.1-34.2179.9-162.584000112E31 V32 L79E31-L35 PolarHBondContact O-N 3.3Å; V32-L35 WeakPolarHBondContact O-CB 2.99Å; V32-L35 PolarHBondContact O-N 3.15Å; L35-L79 HydrophobicContact CB-CD2 4Å; L35-L79 HydrophobicContact CD2-CD1 3.86Å; L35-L79 HydrophobicContact CD2-CD2 4.01Å
36C88.8Confident82.8Confident20 Ų2062.7 Ų62.714%0.13536%0.363CS..SBendtrans-133.6154166.649.60000111.5S34 C82S34-C36 PolarHBondContact O-N 3.28Å; S34-C36 VanDerWaalsContact O-N 3.11Å; C36-C82 HydrophobicContact CB-CB 3.43Å; C36-C82 VanDerWaalsContact CB-CB 3.43Å; C36-C82 WeakPolarHBondContact CB-SG 3.35Å; C36-C82 WeakPolarHBondContact SG-CB 3.46Å; C36-C82 CovalentContact SG-SG 2.03Å; C36-C82 PolarHBondContact SG-SG 3.48Å
37G89.8Confident85.1Confident66 Ų6658.6 Ų58.668%0.6835%0.345SS*.SBendtrans-67.6155.8-178.800000113R60G37-R60 VanDerWaalsContact O-CZ 3.31Å; G37-R60 PolarHBondContact O-NE 2.83Å; G37-R60 PolarHBondContact O-NH2 3.3Å
38G90.7Very high87.3Confident49 Ų4956.2 Ų56.251%0.50533%0.333SS..SBendtrans103.3-172.2176.600000113.9
39T93.1Very high89.3Confident95 Ų9555.7 Ų55.758%0.58333%0.325SS*.  trans-116.2165.5177.359.10000110.6Q41 K59 R60T39-Q41 PolarHBondContact O-N 3.25Å; T39-K59 CarbonylContact C-O 3.53Å; T39-K59 WeakPolarHBondContact CA-O 2.91Å; T39-R60 VanDerWaalsContact O-CZ 3.27Å; T39-R60 PolarHBondContact O-NH1 3.11Å
40V93.8Very high91.1Very high1 Ų154.9 Ų54.91%0.00632%0.316CS..PPolyproline II helixtrans-47.5132.1168179.80000109.6V46 D47 L57 K59 D78V40-V46 HydrophobicContact CG1-CB 4.08Å; V40-V46 HydrophobicContact CG1-CG1 3.91Å; V40-V46 HydrophobicContact CG2-CG1 4.28Å; V40-D47 HydrophobicContact CG1-CB 3.92Å; V40-L57 HydrophobicContact CB-CD1 4.5Å; V40-L57 HydrophobicContact CB-CD2 3.88Å; V40-L57 HydrophobicContact CG1-CD2 4.24Å; V40-L57 HydrophobicContact CG2-CD2 3.69Å; V40-K59 PolarHBondContact N-O 2.81Å; V40-D78 WeakPolarHBondContact CA-OD2 3.21Å; V40-D78 HydrophobicContact CB-CB 4.32Å; V40-D78 HydrophobicContact CG1-CB 4.07Å; V40-D78 HydrophobicContact CG2-CB 3.99Å
41Q89.1Confident92.2Very high68 Ų6856.8 Ų56.832%0.31833%0.333SS..PPolyproline II helixtrans-77.4135.8-177.2-59.6-176.219.100110.9T39 T44 D47 D78 S80T39-Q41 PolarHBondContact O-N 3.25Å; Q41-T44 HydrophobicContact CB-CG2 3.6Å; Q41-T44 WeakPolarHBondContact O-CB 3.29Å; Q41-T44 WeakPolarHBondContact O-CG2 3.29Å; Q41-T44 PolarHBondContact O-N 2.87Å; Q41-T44 PolarHBondContact O-OG1 2.86Å; Q41-D47 WeakPolarHBondContact O-CB 3.46Å; Q41-D78 PolarHBondContact N-OD2 2.72Å; Q41-S80 PolarHBondContact NE2-OG 3.43Å
42N91.8Very high92.8Very high128 Ų12855.7 Ų55.768%0.68434%0.339SS*.THydrogen-bonded Turntrans-60.3143.3-179.7-65.1-15.8000112T44 D47N42-T44 PolarHBondContact O-N 3.32Å; N42-D47 WeakPolarHBondContact CA-OD2 3.33Å
43N90.1Very high93Very high135 Ų13557.8 Ų57.872%0.72235%0.354SS*.THydrogen-bonded Turntrans62.714179.8-50.5-67.7000114.9D47 N48N43-D47 PolarHBondContact N-OD2 3.28Å; N43-N48 PolarHBondContact O-ND2 2.84Å
44T92.2Very high93Very high21 Ų2160.9 Ų60.913%0.12938%0.379CS..SBendtrans-76.3168.3168590000111.2Q41 N42 V46 D47 N48Q41-T44 HydrophobicContact CB-CG2 3.6Å; Q41-T44 WeakPolarHBondContact O-CB 3.29Å; Q41-T44 WeakPolarHBondContact O-CG2 3.29Å; Q41-T44 PolarHBondContact O-N 2.87Å; Q41-T44 PolarHBondContact O-OG1 2.86Å; N42-T44 PolarHBondContact O-N 3.32Å; T44-V46 VanDerWaalsContact C-N 3.27Å; T44-V46 PolarHBondContact O-N 3.13Å; T44-D47 PolarHBondContact O-N 3.04Å; T44-D47 WeakPolarHBondContact OG1-CB 3.37Å; T44-D47 PolarHBondContact OG1-N 2.96Å; T44-N48 WeakPolarHBondContact O-CB 3.44Å; T44-N48 PolarHBondContact O-N 3.06Å; T44-N48 PolarHBondContact O-ND2 2.86Å
45Y94Very high93.1Very high83 Ų8358.9 Ų58.933%0.32537%0.368SS..Hα-helixtrans-61.3-38.3173.7-76.2-81.9000111.9F49 F122 I124 L149Y45-F49 WeakPolarHBondContact O-CB 3.41Å; Y45-F49 PolarHBondContact O-N 2.92Å; Y45-F122 AromaticContact CD1-CE1 3.67Å; Y45-F122 HydrophobicContact CD1-CE1 3.67Å; Y45-F122 AromaticContact CD1-CZ 3.67Å; Y45-F122 HydrophobicContact CD1-CZ 3.67Å; Y45-F122 AromaticContact CD2-CE1 3.97Å; Y45-F122 HydrophobicContact CD2-CE1 3.97Å; Y45-F122 HydrophobicContact CD2-CZ 4.42Å; Y45-F122 HydrophobicContact CE1-CE1 4.03Å; Y45-F122 HydrophobicContact CE1-CE2 4.49Å; Y45-F122 AromaticContact CE1-CZ 3.6Å; Y45-F122 HydrophobicContact CE1-CZ 3.6Å; Y45-F122 HydrophobicContact CE2-CE1 4.29Å; Y45-F122 HydrophobicContact CE2-CZ 4.35Å; Y45-F122 HydrophobicContact CG-CD1 4.5Å; Y45-F122 AromaticContact CG-CE1 3.64Å; Y45-F122 HydrophobicContact CG-CE1 3.64Å; Y45-F122 HydrophobicContact CG-CZ 4.09Å; Y45-F122 AromaticContact CZ-CZ 3.95Å; Y45-I124 HydrophobicContact CD2-CD1 3.6Å; Y45-I124 HydrophobicContact CD2-CG1 4.41Å; Y45-I124 HydrophobicContact CG-CD1 3.94Å; Y45-L149 HydrophobicContact CE2-CD2 4.48Å
46V96.6Very high93.4Very high0 Ų060.5 Ų60.50%037%0.368CS..Hα-helixtrans-64.6-45.2178.2-1800000110.7V40 T44 F49 C50 D78 V98 D100V40-V46 HydrophobicContact CG1-CB 4.08Å; V40-V46 HydrophobicContact CG1-CG1 3.91Å; V40-V46 HydrophobicContact CG2-CG1 4.28Å; T44-V46 VanDerWaalsContact C-N 3.27Å; T44-V46 PolarHBondContact O-N 3.13Å; V46-F49 PolarHBondContact O-N 2.58Å; V46-C50 VanDerWaalsContact O-CB 3.29Å; V46-C50 WeakPolarHBondContact O-CB 3.01Å; V46-C50 PolarHBondContact O-N 2.9Å; V46-D78 HydrophobicContact CB-CB 4.17Å; V46-D78 HydrophobicContact CG1-CB 4.12Å; V46-D78 HydrophobicContact CG2-CB 4.14Å; V46-V98 HydrophobicContact CG2-CG1 4.21Å; V46-V98 HydrophobicContact CG2-CG2 3.99Å; V46-D100 HydrophobicContact CG2-CB 3.87Å
47D96.3Very high93.6Very high20 Ų2063.1 Ų63.111%0.10738%0.38CS..Hα-helixtrans-61.2-49177.1-178.743.6000112.4V40 Q41 N42 N43 T44 F49 C50 S51V40-D47 HydrophobicContact CG1-CB 3.92Å; Q41-D47 WeakPolarHBondContact O-CB 3.46Å; N42-D47 WeakPolarHBondContact CA-OD2 3.33Å; N43-D47 PolarHBondContact N-OD2 3.28Å; T44-D47 PolarHBondContact O-N 3.04Å; T44-D47 WeakPolarHBondContact OG1-CB 3.37Å; T44-D47 PolarHBondContact OG1-N 2.96Å; D47-F49 PolarHBondContact O-N 3.42Å; D47-C50 PolarHBondContact O-N 3.32Å; D47-S51 WeakPolarHBondContact O-CB 3.17Å; D47-S51 PolarHBondContact O-N 2.97Å; D47-S51 PolarHBondContact O-OG 3Å; D47-S51 VanDerWaalsContact O-OG 3.08Å
48N96.7Very high93.7Very high85 Ų8562.3 Ų62.346%0.45536%0.36SS..Hα-helixtrans-62.6-43.6178-72.9-49.1000111.7N43 T44 S51 S52N43-N48 PolarHBondContact O-ND2 2.84Å; T44-N48 WeakPolarHBondContact O-CB 3.44Å; T44-N48 PolarHBondContact O-N 3.06Å; T44-N48 PolarHBondContact O-ND2 2.86Å; N48-S51 PolarHBondContact O-N 3.34Å; N48-S52 WeakPolarHBondContact O-CB 3.04Å; N48-S52 PolarHBondContact O-N 3.16Å; N48-S52 PolarHBondContact O-OG 2.93Å
49F96.6Very high93.9Very high58 Ų5864.3 Ų64.325%0.25436%0.355SS..Hα-helixtrans-61.6-46.1175.6172.3-98.9000111.1Y45 V46 D47 S51 S52 S53 I75 V97 V98Y45-F49 WeakPolarHBondContact O-CB 3.41Å; Y45-F49 PolarHBondContact O-N 2.92Å; V46-F49 PolarHBondContact O-N 2.58Å; D47-F49 PolarHBondContact O-N 3.42Å; F49-S51 VanDerWaalsContact C-N 3.34Å; F49-S51 PolarHBondContact O-N 2.9Å; F49-S52 WeakPolarHBondContact CA-OG 3.34Å; F49-S52 PolarHBondContact O-N 3.25Å; F49-S52 PolarHBondContact O-OG 2.88Å; F49-S53 WeakPolarHBondContact O-CB 3.45Å; F49-S53 PolarHBondContact O-N 3.46Å; F49-S53 PolarHBondContact O-OG 3.24Å; F49-I75 HydrophobicContact CE1-CB 4.09Å; F49-I75 HydrophobicContact CE1-CD1 4.01Å; F49-I75 HydrophobicContact CE1-CG1 4.07Å; F49-I75 WeakPolarHBondContact CE1-O 3.28Å; F49-V97 HydrophobicContact CE1-CB 4.27Å; F49-V97 HydrophobicContact CE2-CB 4.38Å; F49-V97 HydrophobicContact CE2-CG1 4.03Å; F49-V97 HydrophobicContact CZ-CB 3.75Å; F49-V97 HydrophobicContact CZ-CG1 3.89Å; F49-V97 HydrophobicContact CZ-CG2 4.19Å; F49-V98 HydrophobicContact CB-CG1 4.03Å; F49-V98 HydrophobicContact CD1-CB 4.49Å; F49-V98 HydrophobicContact CD1-CG1 3.36Å; F49-V98 HydrophobicContact CE1-CG1 3.92Å; F49-V98 HydrophobicContact CG-CG1 3.73Å
50C96.4Very high93.9Very high1 Ų160.9 Ų60.91%0.00733%0.331CS..Hα-helixtrans-60.2-46.2-180-160.10000111.8V46 D47 S52 S53 A54 G55 L57 C62V46-C50 VanDerWaalsContact O-CB 3.29Å; V46-C50 WeakPolarHBondContact O-CB 3.01Å; V46-C50 PolarHBondContact O-N 2.9Å; D47-C50 PolarHBondContact O-N 3.32Å; C50-S52 PolarHBondContact O-N 2.86Å; C50-S53 WeakPolarHBondContact CA-OG 2.97Å; C50-S53 PolarHBondContact O-N 3.16Å; C50-S53 PolarHBondContact O-OG 2.87Å; C50-A54 PolarHBondContact O-N 3.3Å; C50-G55 PolarHBondContact O-N 2.76Å; C50-L57 HydrophobicContact CB-CD2 3.88Å; C50-L57 VanDerWaalsContact SG-CD2 3.51Å; C50-C62 WeakPolarHBondContact CA-SG 3.38Å; C50-C62 HydrophobicContact CB-CB 3.56Å; C50-C62 WeakPolarHBondContact CB-SG 3.47Å; C50-C62 WeakPolarHBondContact SG-CB 3.23Å; C50-C62 CovalentContact SG-SG 2.02Å; C50-C62 PolarHBondContact SG-SG 3.17Å
51S95.8Very high94Very high84 Ų8460.9 Ų60.959%0.58733%0.331SS*.Hα-helixtrans-60.4-44.2175.9-63.50000111.9D47 N48 F49 S53 A54D47-S51 WeakPolarHBondContact O-CB 3.17Å; D47-S51 PolarHBondContact O-N 2.97Å; D47-S51 PolarHBondContact O-OG 3Å; D47-S51 VanDerWaalsContact O-OG 3.08Å; N48-S51 PolarHBondContact O-N 3.34Å; F49-S51 VanDerWaalsContact C-N 3.34Å; F49-S51 PolarHBondContact O-N 2.9Å; S51-S53 VanDerWaalsContact C-N 3.32Å; S51-S53 PolarHBondContact O-N 2.02Å; S51-A54 PolarHBondContact O-N 3.31Å
52S95.9Very high94.3Very high99 Ų9957.6 Ų57.669%0.69232%0.316SS*.Hα-helixtrans-69.4-27.2-179.573.50000114.1N48 F49 C50 A54N48-S52 WeakPolarHBondContact O-CB 3.04Å; N48-S52 PolarHBondContact O-N 3.16Å; N48-S52 PolarHBondContact O-OG 2.93Å; F49-S52 WeakPolarHBondContact CA-OG 3.34Å; F49-S52 PolarHBondContact O-N 3.25Å; F49-S52 PolarHBondContact O-OG 2.88Å; C50-S52 PolarHBondContact O-N 2.86Å; S52-A54 VanDerWaalsContact C-N 3.3Å
53S93.6Very high94.4Very high46 Ų4651.6 Ų51.632%0.32228%0.284SS..THydrogen-bonded Turntrans-89.75.4178.254.10000113F49 C50 S51 G55 I75F49-S53 WeakPolarHBondContact O-CB 3.45Å; F49-S53 PolarHBondContact O-N 3.46Å; F49-S53 PolarHBondContact O-OG 3.24Å; C50-S53 WeakPolarHBondContact CA-OG 2.97Å; C50-S53 PolarHBondContact O-N 3.16Å; C50-S53 PolarHBondContact O-OG 2.87Å; S51-S53 VanDerWaalsContact C-N 3.32Å; S51-S53 PolarHBondContact O-N 2.02Å; S53-G55 PolarHBondContact O-N 3.29Å; S53-G55 VanDerWaalsContact O-N 3.15Å; S53-I75 WeakPolarHBondContact OG-CD1 3.34Å
54A93.1Very high94.5Very high64 Ų6446 Ų4653%0.52926%0.257SS..THydrogen-bonded Turntrans53.626.6-171.800000113.3C50 S51 S52 N65C50-A54 PolarHBondContact O-N 3.3Å; S51-A54 PolarHBondContact O-N 3.31Å; S52-A54 VanDerWaalsContact C-N 3.3Å; A54-N65 WeakPolarHBondContact O-CB 3.02Å; A54-N65 PolarHBondContact O-ND2 3.29Å; A54-N65 VanDerWaalsContact O-ND2 3.09Å
55G93Very high94.1Very high19 Ų1950 Ų5020%0.19628%0.277CS..  trans-72.4165.1179.100000112.7C50 S53 L63C50-G55 PolarHBondContact O-N 2.76Å; S53-G55 PolarHBondContact O-N 3.29Å; S53-G55 VanDerWaalsContact O-N 3.15Å; G55-L63 CarbonylContact C-O 3.47Å; G55-L63 VanDerWaalsContact CA-O 3.23Å; G55-L63 WeakPolarHBondContact CA-O 3.34Å
56R93.4Very high93.3Very high128 Ų12849.9 Ų49.948%0.48328%0.282SS..EExtended strand (participates in β ladder)trans-108.6127.1176.9-175.8-174.868.7165.3-0.7109.5L63 E72R56-L63 PolarHBondContact N-O 2.87Å; R56-L63 VanDerWaalsContact NH2-CD1 3.34Å; R56-L63 WeakPolarHBondContact O-CB 3.03Å; R56-L63 PolarHBondContact O-N 2.86Å; R56-E72 IonicContact CZ-OE1 3.46Å; R56-E72 VanDerWaalsContact NH2-CD 3.31Å; R56-E72 IonicContact NH2-OE1 3.74Å; R56-E72 PolarHBondContact NH2-OE1 2.81Å; R56-E72 IonicContact NH2-OE2 3.79Å
57L93.6Very high91.8Very high75 Ų7558 Ų5839%0.39333%0.325SS..EExtended strand (participates in β ladder)trans-72.6129.8171.2-62.8176.6000110.5V40 C50 C61 C62V40-L57 HydrophobicContact CB-CD1 4.5Å; V40-L57 HydrophobicContact CB-CD2 3.88Å; V40-L57 HydrophobicContact CG1-CD2 4.24Å; V40-L57 HydrophobicContact CG2-CD2 3.69Å; C50-L57 HydrophobicContact CB-CD2 3.88Å; C50-L57 VanDerWaalsContact SG-CD2 3.51Å; L57-C61 WeakPolarHBondContact CA-O 3.47Å; L57-C62 HydrophobicContact CD2-CB 4.34Å
58D92.4Very high90.1Very high49 Ų4959.8 Ų59.826%0.26234%0.34SS..EExtended strand (participates in β ladder)trans-132.5113.4164.5-177.754.8000109L30 R60 C61 L63L30-D58 WeakPolarHBondContact CD2-OD2 3.35Å; D58-R60 PolarHBondContact O-N 3.2Å; D58-R60 VanDerWaalsContact O-N 3.16Å; D58-C61 PolarHBondContact N-O 2.8Å; D58-C61 WeakPolarHBondContact O-CA 3.19Å; D58-C61 WeakPolarHBondContact O-CB 3.06Å; D58-C61 PolarHBondContact O-N 2.81Å; D58-L63 HydrophobicContact CB-CD1 3.62Å; D58-L63 HydrophobicContact CB-CG 4.19Å
59K93.7Very high88.2Confident92 Ų9262.2 Ų62.240%0.436%0.363SS..THydrogen-bonded Turntrans49.2-120.4-173.6-53.5172.7-172159.50111C33 S34 T39 V40 C61C33-K59 HydrophobicContact CB-CB 4.45Å; C33-K59 HydrophobicContact CB-CD 4.47Å; C33-K59 WeakPolarHBondContact O-CB 3.46Å; S34-K59 PolarHBondContact OG-NZ 2.9Å; T39-K59 CarbonylContact C-O 3.53Å; T39-K59 WeakPolarHBondContact CA-O 2.91Å; V40-K59 PolarHBondContact N-O 2.81Å; K59-C61 VanDerWaalsContact C-N 3.34Å
60R94.6Very high86.5Confident23 Ų2365.1 Ų65.19%0.08738%0.381CS..THydrogen-bonded Turntrans-85.91.6178.6-65.7-55.3-170167.2-8.6114.5C33 G37 T39 D58 D78C33-R60 WeakPolarHBondContact O-CB 3.46Å; C33-R60 PolarHBondContact O-N 2.87Å; G37-R60 VanDerWaalsContact O-CZ 3.31Å; G37-R60 PolarHBondContact O-NE 2.83Å; G37-R60 PolarHBondContact O-NH2 3.3Å; T39-R60 VanDerWaalsContact O-CZ 3.27Å; T39-R60 PolarHBondContact O-NH1 3.11Å; D58-R60 PolarHBondContact O-N 3.2Å; D58-R60 VanDerWaalsContact O-N 3.16Å; R60-D78 VanDerWaalsContact CB-O 3.31Å; R60-D78 WeakPolarHBondContact CB-O 3.34Å; R60-D78 VanDerWaalsContact CD-O 3.28Å; R60-D78 WeakPolarHBondContact CD-O 3.4Å; R60-D78 IonicContact NH1-OD2 2.63Å; R60-D78 PolarHBondContact O-N 3.36Å
61C94.7Very high85.1Confident0 Ų068.1 Ų68.10%040%0.4CS..EExtended strand (participates in β ladder)trans-106.3146.8-178.4-73.20000112.3C33 L57 D58 K59 L63 I74 G76C33-C61 WeakPolarHBondContact CA-SG 3.42Å; C33-C61 HydrophobicContact CB-CB 3.72Å; C33-C61 WeakPolarHBondContact CB-SG 3.19Å; C33-C61 WeakPolarHBondContact SG-CB 3.44Å; C33-C61 CovalentContact SG-SG 2.03Å; C33-C61 PolarHBondContact SG-SG 3.17Å; L57-C61 WeakPolarHBondContact CA-O 3.47Å; D58-C61 PolarHBondContact N-O 2.8Å; D58-C61 WeakPolarHBondContact O-CA 3.19Å; D58-C61 WeakPolarHBondContact O-CB 3.06Å; D58-C61 PolarHBondContact O-N 2.81Å; K59-C61 VanDerWaalsContact C-N 3.34Å; C61-L63 HydrophobicContact CB-CD2 4.15Å; C61-I74 HydrophobicContact CB-CG2 3.95Å; C61-G76 CarbonylContact C-O 3.59Å; C61-G76 WeakPolarHBondContact CA-O 3.16Å
62C95.3Very high84.2Confident0 Ų068.6 Ų68.60%039%0.394CS..EExtended strand (participates in β ladder)trans-98118.7155.5-178.90000108.8C50 L57 I75 G76C50-C62 WeakPolarHBondContact CA-SG 3.38Å; C50-C62 HydrophobicContact CB-CB 3.56Å; C50-C62 WeakPolarHBondContact CB-SG 3.47Å; C50-C62 WeakPolarHBondContact SG-CB 3.23Å; C50-C62 CovalentContact SG-SG 2.02Å; C50-C62 PolarHBondContact SG-SG 3.17Å; L57-C62 HydrophobicContact CD2-CB 4.34Å; C62-I75 HydrophobicContact CB-CG1 4.23Å; C62-I75 WeakPolarHBondContact O-CG1 3.26Å; C62-I75 PolarHBondContact O-N 3.23Å; C62-G76 PolarHBondContact N-O 2.9Å; C62-G76 PolarHBondContact O-N 3.1Å; C62-G76 VanDerWaalsContact O-N 3.17Å
63L93.8Very high83.9Confident2 Ų268.1 Ų68.11%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-94.8138.8176.6-55.5176.7000109.7G55 R56 D58 C61 E72 R73 I74G55-L63 CarbonylContact C-O 3.47Å; G55-L63 VanDerWaalsContact CA-O 3.23Å; G55-L63 WeakPolarHBondContact CA-O 3.34Å; R56-L63 PolarHBondContact N-O 2.87Å; R56-L63 VanDerWaalsContact NH2-CD1 3.34Å; R56-L63 WeakPolarHBondContact O-CB 3.03Å; R56-L63 PolarHBondContact O-N 2.86Å; D58-L63 HydrophobicContact CB-CD1 3.62Å; D58-L63 HydrophobicContact CB-CG 4.19Å; C61-L63 HydrophobicContact CB-CD2 4.15Å; L63-E72 HydrophobicContact CD1-CB 4.29Å; L63-E72 WeakPolarHBondContact CD1-OE2 3.41Å; L63-E72 HydrophobicContact CD2-CB 4.44Å; L63-R73 CarbonylContact C-O 3.46Å; L63-R73 WeakPolarHBondContact CA-O 3.32Å; L63-I74 HydrophobicContact CD2-CB 4.44Å; L63-I74 HydrophobicContact CD2-CG1 3.79Å
64A92.3Very high83.9Confident18 Ų1866 Ų6615%0.14936%0.362CS..PPolyproline II helixtrans-61.5140.8172.500000110.1D66 R73 I75A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 WeakPolarHBondContact CB-OD2 3.38Å; A64-D66 PolarHBondContact O-N 3.02Å; A64-R73 HydrophobicContact CB-CB 4.18Å; A64-R73 PolarHBondContact N-O 2.79Å; A64-I75 HydrophobicContact CB-CD1 4.29Å; A64-I75 HydrophobicContact CB-CG1 4.48Å; A64-I75 HydrophobicContact CB-CG2 3.79Å
65N84.9Confident84Confident103 Ų10363.5 Ų63.555%0.55134%0.339SS*.  trans-96.162.4174.9-169.114.9000109.4A54A54-N65 WeakPolarHBondContact O-CB 3.02Å; A54-N65 PolarHBondContact O-ND2 3.29Å; A54-N65 VanDerWaalsContact O-ND2 3.09Å
66D77.1Confident84.1Confident82 Ų8262.6 Ų62.644%0.43933%0.33SS..  trans-94.2123.3-179.8-62.7-27.5000108.3A64 S68 R73A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 WeakPolarHBondContact CB-OD2 3.38Å; A64-D66 PolarHBondContact O-N 3.02Å; D66-S68 WeakPolarHBondContact CB-OG 3.35Å; D66-S68 PolarHBondContact O-N 2.88Å; D66-R73 IonicContact OD1-NH2 3.89Å; D66-R73 IonicContact OD2-CZ 2.69Å; D66-R73 IonicContact OD2-NE 3.2Å; D66-R73 PolarHBondContact OD2-NE 2.89Å; D66-R73 IonicContact OD2-NH2 2.81Å; D66-R73 PolarHBondContact OD2-NH2 2.58Å
67N65.1Low84.3Confident169 Ų16956.5 Ų56.590%0.90431%0.307SS*.  trans-71.39.4175.9-80.8-24.3000113.2
68S60.3Low84.4Confident59 Ų5952.9 Ų52.941%0.41329%0.288SS..SBendtrans-72.6149.4176.944.20000110.4D66 D70D66-S68 WeakPolarHBondContact CB-OG 3.35Å; D66-S68 PolarHBondContact O-N 2.88Å; S68-D70 PolarHBondContact O-N 2.81Å
69S57.4Low84.6Confident135 Ų13550.6 Ų50.694%0.94428%0.276SS*.SBendtrans-66.217.7168.352.40000113.8
70D59.3Low84.6Confident120 Ų12046.3 Ų46.364%0.64226%0.257SS*.SBendtrans-82.6155-177.3-100.6-24.1000111.2S68S68-D70 PolarHBondContact O-N 2.81Å
71P67.5Low84.6Confident63 Ų6348.3 Ų48.341%0.40928%0.275SS..  trans-48.2147.116812.1-24.2000112.1R73P71-R73 PolarHBondContact O-N 3.16Å
72E77.9Confident84.6Confident95 Ų9549.5 Ų49.544%0.44428%0.283SS..  trans-54109.4173.2-64.7-173.3158.200110.1L30 R56 L63L30-E72 HydrophobicContact CD1-CB 4.3Å; R56-E72 IonicContact CZ-OE1 3.46Å; R56-E72 VanDerWaalsContact NH2-CD 3.31Å; R56-E72 IonicContact NH2-OE1 3.74Å; R56-E72 PolarHBondContact NH2-OE1 2.81Å; R56-E72 IonicContact NH2-OE2 3.79Å; L63-E72 HydrophobicContact CD1-CB 4.29Å; L63-E72 WeakPolarHBondContact CD1-OE2 3.41Å; L63-E72 HydrophobicContact CD2-CB 4.44Å
73R88.7Confident84.6Confident89 Ų8954.1 Ų54.134%0.33632%0.315SS..  trans-89.5123.3-175-174.21756296.3-1.1110.3L63 A64 D66 P71 T95L63-R73 CarbonylContact C-O 3.46Å; L63-R73 WeakPolarHBondContact CA-O 3.32Å; A64-R73 HydrophobicContact CB-CB 4.18Å; A64-R73 PolarHBondContact N-O 2.79Å; D66-R73 IonicContact OD1-NH2 3.89Å; D66-R73 IonicContact OD2-CZ 2.69Å; D66-R73 IonicContact OD2-NE 3.2Å; D66-R73 PolarHBondContact OD2-NE 2.89Å; D66-R73 IonicContact OD2-NH2 2.81Å; D66-R73 PolarHBondContact OD2-NH2 2.58Å; P71-R73 PolarHBondContact O-N 3.16Å; R73-T95 HydrophobicContact CG-CG2 4.17Å; R73-T95 WeakPolarHBondContact CG-OG1 3.4Å
74I93.1Very high84.6Confident2 Ų255.5 Ų55.51%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-82.9118.2179.4-50.7171.6000109.1G29 V32 C61 L63 G76 T95 V96G29-I74 VanDerWaalsContact O-CD1 3.27Å; G29-I74 WeakPolarHBondContact O-CD1 3.26Å; V32-I74 HydrophobicContact CG1-CD1 3.45Å; V32-I74 VanDerWaalsContact CG1-CD1 3.45Å; C61-I74 HydrophobicContact CB-CG2 3.95Å; L63-I74 HydrophobicContact CD2-CB 4.44Å; L63-I74 HydrophobicContact CD2-CG1 3.79Å; I74-G76 WeakPolarHBondContact CG2-O 3.29Å; I74-T95 CarbonylContact O-C 3.56Å; I74-T95 VanDerWaalsContact O-C 3.31Å; I74-T95 PolarHBondContact O-OG1 3.21Å; I74-T95 VanDerWaalsContact O-OG1 3.11Å; I74-V96 HydrophobicContact CB-CG2 3.98Å; I74-V96 HydrophobicContact CG2-CG2 3.6Å; I74-V96 WeakPolarHBondContact O-CA 3.35Å; I74-V96 WeakPolarHBondContact O-CG2 3.32Å; I74-V96 PolarHBondContact O-N 3.36Å
75I95.1Very high84.6Confident10 Ų1058.9 Ų58.95%0.05134%0.341CS..EExtended strand (participates in β ladder)trans-108.2-16.5179.756.3169.6000113.3F49 S53 C62 A64 V97 V98F49-I75 HydrophobicContact CE1-CB 4.09Å; F49-I75 HydrophobicContact CE1-CD1 4.01Å; F49-I75 HydrophobicContact CE1-CG1 4.07Å; F49-I75 WeakPolarHBondContact CE1-O 3.28Å; S53-I75 WeakPolarHBondContact OG-CD1 3.34Å; C62-I75 HydrophobicContact CB-CG1 4.23Å; C62-I75 WeakPolarHBondContact O-CG1 3.26Å; C62-I75 PolarHBondContact O-N 3.23Å; A64-I75 HydrophobicContact CB-CD1 4.29Å; A64-I75 HydrophobicContact CB-CG1 4.48Å; A64-I75 HydrophobicContact CB-CG2 3.79Å; I75-V97 PolarHBondContact O-N 2.99Å; I75-V98 PolarHBondContact O-N 2.98Å
76G96.4Very high84.9Confident0 Ų060.2 Ų60.20%034%0.344CS..EExtended strand (participates in β ladder)trans-143.8145174.700000111.1C61 C62 I74 V98C61-G76 CarbonylContact C-O 3.59Å; C61-G76 WeakPolarHBondContact CA-O 3.16Å; C62-G76 PolarHBondContact N-O 2.9Å; C62-G76 PolarHBondContact O-N 3.1Å; C62-G76 VanDerWaalsContact O-N 3.17Å; I74-G76 WeakPolarHBondContact CG2-O 3.29Å; G76-V98 CarbonylContact C-O 3.43Å; G76-V98 WeakPolarHBondContact CA-O 3.05Å
77L96.1Very high85.6Confident0 Ų057.1 Ų57.10%033%0.328CS..EExtended strand (participates in β ladder)trans-138.1117.3-177.417961.7000110.2V32 L79 L90 A93 V96 V98 I99 D100V32-L77 HydrophobicContact CG2-CD1 4.21Å; V32-L77 HydrophobicContact CG2-CD2 3.94Å; L77-L79 HydrophobicContact CD1-CD1 4.42Å; L77-L79 HydrophobicContact CD1-CD2 4.15Å; L77-L79 HydrophobicContact CD1-CG 4Å; L77-L79 HydrophobicContact CD2-CD1 3.86Å; L77-L79 HydrophobicContact CD2-CG 4.22Å; L77-L79 HydrophobicContact CG-CD1 4.1Å; L77-L79 HydrophobicContact CG-CG 3.89Å; L77-L90 HydrophobicContact CD2-CD1 4.14Å; L77-L90 HydrophobicContact CD2-CD2 4.38Å; L77-A93 HydrophobicContact CD2-CB 4.45Å; L77-V96 HydrophobicContact CB-CG1 4.16Å; L77-V96 HydrophobicContact CB-CG2 4.31Å; L77-V98 PolarHBondContact N-O 3.08Å; L77-I99 HydrophobicContact CB-CG1 4.33Å; L77-I99 CarbonylContact O-C 3.57Å; L77-I99 WeakPolarHBondContact O-CA 3.43Å; L77-D100 PolarHBondContact O-N 2.82Å
78D96.8Very high86.5Confident0 Ų056.1 Ų56.10%032%0.318CS..EExtended strand (participates in β ladder)trans-105.496.7177.2179.76.6000110.2V40 Q41 V46 R60 S80V40-D78 WeakPolarHBondContact CA-OD2 3.21Å; V40-D78 HydrophobicContact CB-CB 4.32Å; V40-D78 HydrophobicContact CG1-CB 4.07Å; V40-D78 HydrophobicContact CG2-CB 3.99Å; Q41-D78 PolarHBondContact N-OD2 2.72Å; V46-D78 HydrophobicContact CB-CB 4.17Å; V46-D78 HydrophobicContact CG1-CB 4.12Å; V46-D78 HydrophobicContact CG2-CB 4.14Å; R60-D78 VanDerWaalsContact CB-O 3.31Å; R60-D78 WeakPolarHBondContact CB-O 3.34Å; R60-D78 VanDerWaalsContact CD-O 3.28Å; R60-D78 WeakPolarHBondContact CD-O 3.4Å; R60-D78 IonicContact NH1-OD2 2.63Å; R60-D78 PolarHBondContact O-N 3.36Å; D78-S80 WeakPolarHBondContact OD1-CB 3.18Å; D78-S80 PolarHBondContact OD1-N 2.79Å; D78-S80 PolarHBondContact OD1-OG 2.8Å
79L95.6Very high87.6Confident1 Ų159.5 Ų59.51%0.00533%0.332CS..  trans-10524.4172.4-64.8177.7000111.2L35 L77 L84 L90 D100 L101 N104L35-L79 HydrophobicContact CB-CD2 4Å; L35-L79 HydrophobicContact CD2-CD1 3.86Å; L35-L79 HydrophobicContact CD2-CD2 4.01Å; L77-L79 HydrophobicContact CD1-CD1 4.42Å; L77-L79 HydrophobicContact CD1-CD2 4.15Å; L77-L79 HydrophobicContact CD1-CG 4Å; L77-L79 HydrophobicContact CD2-CD1 3.86Å; L77-L79 HydrophobicContact CD2-CG 4.22Å; L77-L79 HydrophobicContact CG-CD1 4.1Å; L77-L79 HydrophobicContact CG-CG 3.89Å; L79-L84 HydrophobicContact CB-CD1 4.07Å; L79-L90 HydrophobicContact CD1-CD2 3.91Å; L79-D100 CarbonylContact C-O 3.6Å; L79-D100 VanDerWaalsContact CA-O 3.29Å; L79-D100 WeakPolarHBondContact CA-O 3.49Å; L79-D100 PolarHBondContact N-O 3.36Å; L79-L101 HydrophobicContact CB-CD2 3.88Å; L79-L101 HydrophobicContact CD1-CD2 4.17Å; L79-N104 PolarHBondContact O-ND2 2.96Å
80S95.3Very high89.1Confident1 Ų153.6 Ų53.61%0.00729%0.289CS..THydrogen-bonded Turntrans-69.8145.1178.5690000111.7Q41 D78 C82 D100 S102Q41-S80 PolarHBondContact NE2-OG 3.43Å; D78-S80 WeakPolarHBondContact OD1-CB 3.18Å; D78-S80 PolarHBondContact OD1-N 2.79Å; D78-S80 PolarHBondContact OD1-OG 2.8Å; S80-C82 PolarHBondContact O-N 3.14Å; S80-C82 PolarHBondContact O-SG 2.99Å; S80-C82 VanDerWaalsContact O-SG 3.36Å; S80-D100 PolarHBondContact N-O 3.24Å; S80-D100 VanDerWaalsContact N-O 3.16Å; S80-S102 CarbonylContact C-O 3.49Å; S80-S102 WeakPolarHBondContact CA-O 3.49Å; S80-S102 WeakPolarHBondContact CB-O 3.11Å
81S94.6Very high90.2Very high66 Ų6651.1 Ų51.146%0.46228%0.28SS..THydrogen-bonded Turntrans56.135.8176.4-173.60000114.2S102 L103S81-S102 PolarHBondContact N-O 2.87Å; S81-L103 WeakPolarHBondContact CA-O 3.19Å
82C93.9Very high90.9Very high24 Ų2450.2 Ų50.216%0.16228%0.282CS..SBendtrans-97.77.9-178.9-69.90000113.7C36 S80 L84 N104C36-C82 HydrophobicContact CB-CB 3.43Å; C36-C82 VanDerWaalsContact CB-CB 3.43Å; C36-C82 WeakPolarHBondContact CB-SG 3.35Å; C36-C82 WeakPolarHBondContact SG-CB 3.46Å; C36-C82 CovalentContact SG-SG 2.03Å; C36-C82 PolarHBondContact SG-SG 3.48Å; S80-C82 PolarHBondContact O-N 3.14Å; S80-C82 PolarHBondContact O-SG 2.99Å; S80-C82 VanDerWaalsContact O-SG 3.36Å; C82-L84 HydrophobicContact CB-CD1 4.1Å; C82-L84 HydrophobicContact CB-CD2 4.29Å; C82-L84 HydrophobicContact CB-CG 3.8Å; C82-L84 PolarHBondContact O-N 2.04Å; C82-N104 VanDerWaalsContact C-OD1 3.32Å; C82-N104 WeakPolarHBondContact CA-OD1 3.27Å; C82-N104 PolarHBondContact N-OD1 2.94Å
83S94.8Very high91.4Very high97 Ų9745.7 Ų45.768%0.67826%0.261SS*.  trans55.929.6-175.2-58.70000113.4T85 N104S83-T85 PolarHBondContact O-N 3.4Å; S83-N104 PolarHBondContact N-OD1 2.03Å
84L93.9Very high91.4Very high32 Ų3244.1 Ų44.117%0.16826%0.264CS..  trans-71.2127.3179.2-58.4174.9000110L79 C82 L101 N104 P105 I106L79-L84 HydrophobicContact CB-CD1 4.07Å; C82-L84 HydrophobicContact CB-CD1 4.1Å; C82-L84 HydrophobicContact CB-CD2 4.29Å; C82-L84 HydrophobicContact CB-CG 3.8Å; C82-L84 PolarHBondContact O-N 2.04Å; L84-L101 HydrophobicContact CD1-CD2 4.18Å; L84-N104 HydrophobicContact CB-CB 4.17Å; L84-N104 PolarHBondContact N-OD1 3.2Å; L84-P105 CarbonylContact O-C 3.6Å; L84-P105 WeakPolarHBondContact O-CD 3.07Å; L84-P105 WeakPolarHBondContact O-CG 3.41Å; L84-I106 HydrophobicContact CB-CG1 4.39Å; L84-I106 VanDerWaalsContact O-CG1 3.26Å; L84-I106 WeakPolarHBondContact O-CG1 2.97Å; L84-I106 PolarHBondContact O-N 3.07Å
85T93.6Very high91.3Very high88 Ų8845.9 Ų45.954%0.5427%0.274SS..SBendtrans-97.3-22.8174.452.90000112.4S83 P105S83-T85 PolarHBondContact O-N 3.4Å; T85-P105 HydrophobicContact CG2-CG 4.01Å
86Q91.3Very high91.3Very high132 Ų13245.4 Ų45.462%0.61727%0.272SS*.  trans-142.1154.9176.4-63-173.12.500108.8
87V90.3Very high91.3Very high16 Ų1647 Ų4710%0.09728%0.282CS..  trans-116114.8172.6-171.40000106.3L90 L101 I106 I109 V113V87-L90 HydrophobicContact CG1-CD1 4.49Å; V87-L101 HydrophobicContact CG1-CD2 4.47Å; V87-L101 HydrophobicContact CG2-CD1 4.08Å; V87-L101 HydrophobicContact CG2-CD2 3.93Å; V87-I106 HydrophobicContact CG2-CD1 3.64Å; V87-I106 HydrophobicContact CG2-CG1 4.36Å; V87-I109 HydrophobicContact CG2-CD1 4.25Å; V87-I109 HydrophobicContact CG2-CG1 4.38Å; V87-V113 HydrophobicContact CB-CG1 4.48Å; V87-V113 HydrophobicContact CG1-CG1 3.78Å; V87-V113 VanDerWaalsContact O-CG2 3.26Å; V87-V113 WeakPolarHBondContact O-CG2 3.36Å
88E84.8Confident91.4Very high149 Ų14947.2 Ų47.270%0.69628%0.283SS*.  trans-96.6-166.8173.2-64.2-173.2-179.500109.6L90E88-L90 PolarHBondContact O-N 3.01Å
89D83.2Confident91.4Very high130 Ų13047.2 Ų47.270%0.69528%0.283SS*.  trans-51.3139.1177.9-86-17000112.1P91D89-P91 VanDerWaalsContact C-CD 3.4Å; D89-P91 WeakPolarHBondContact O-CD 3.36Å
90L88.4Confident91.5Very high10 Ų1047.5 Ų47.55%0.05228%0.284CS..  trans-109.574.3175.2-64.3175.9000108.6V32 L77 L79 V87 E88 G92 A93 I99 F117V32-L90 HydrophobicContact CG2-CB 4.38Å; V32-L90 HydrophobicContact CG2-CD2 3.85Å; L77-L90 HydrophobicContact CD2-CD1 4.14Å; L77-L90 HydrophobicContact CD2-CD2 4.38Å; L79-L90 HydrophobicContact CD1-CD2 3.91Å; V87-L90 HydrophobicContact CG1-CD1 4.49Å; E88-L90 PolarHBondContact O-N 3.01Å; L90-G92 PolarHBondContact O-N 2.88Å; L90-A93 HydrophobicContact CB-CB 4.04Å; L90-A93 WeakPolarHBondContact O-CB 3.38Å; L90-A93 PolarHBondContact O-N 3.15Å; L90-I99 HydrophobicContact CD1-CD1 4.35Å; L90-F117 HydrophobicContact CB-CZ 3.87Å; L90-F117 HydrophobicContact CD1-CZ 4.22Å
91P82.4Confident91.6Very high68 Ų6847.4 Ų47.444%0.44228%0.284SS..THydrogen-bonded Turntrans-62.4136.6-172.526.9-35.6000111D89 A93D89-P91 VanDerWaalsContact C-CD 3.4Å; D89-P91 WeakPolarHBondContact O-CD 3.36Å; P91-A93 PolarHBondContact O-N 3.29Å
92G82.6Confident91.6Very high44 Ų4444.5 Ų44.545%0.45426%0.264SS..THydrogen-bonded Turntrans760.1-179.700000115.5L90L90-G92 PolarHBondContact O-N 2.88Å
93A88.6Confident91.7Very high0 Ų048.9 Ų48.90%029%0.285CS..  trans-98.711.3-179.400000114.4V32 L77 L90 P91 T95 V96 F117V32-A93 HydrophobicContact CG1-CB 4.38Å; L77-A93 HydrophobicContact CD2-CB 4.45Å; L90-A93 HydrophobicContact CB-CB 4.04Å; L90-A93 WeakPolarHBondContact O-CB 3.38Å; L90-A93 PolarHBondContact O-N 3.15Å; P91-A93 PolarHBondContact O-N 3.29Å; A93-T95 PolarHBondContact O-N 3.38Å; A93-V96 HydrophobicContact CB-CG2 3.85Å; A93-V96 VanDerWaalsContact O-CB 3.26Å; A93-V96 WeakPolarHBondContact O-CB 3.43Å; A93-V96 WeakPolarHBondContact O-CG2 3.13Å; A93-V96 PolarHBondContact O-N 2.92Å; A93-F117 HydrophobicContact CB-CE1 4.08Å; A93-F117 HydrophobicContact CB-CZ 4Å; A93-F117 WeakPolarHBondContact O-CE1 3.35Å
94S88Confident91.7Very high57 Ų5744.8 Ų44.840%0.39926%0.255SS..THydrogen-bonded Turntrans-63.7-15.1-174.956.50000115.3
95T91.9Very high91.8Very high38 Ų3846.8 Ų46.823%0.23327%0.27CS..THydrogen-bonded Turntrans-96.74.6178.256.90000113.3R73 I74 A93R73-T95 HydrophobicContact CG-CG2 4.17Å; R73-T95 WeakPolarHBondContact CG-OG1 3.4Å; I74-T95 CarbonylContact O-C 3.56Å; I74-T95 VanDerWaalsContact O-C 3.31Å; I74-T95 PolarHBondContact O-OG1 3.21Å; I74-T95 VanDerWaalsContact O-OG1 3.11Å; A93-T95 PolarHBondContact O-N 3.38Å
96V95.3Very high91.9Very high0 Ų043.2 Ų43.20%025%0.247CC..  trans-68.7133.2-179.4173.60000110.5I74 L77 A93 V98 I99 F117 D119 L120I74-V96 HydrophobicContact CB-CG2 3.98Å; I74-V96 HydrophobicContact CG2-CG2 3.6Å; I74-V96 WeakPolarHBondContact O-CA 3.35Å; I74-V96 WeakPolarHBondContact O-CG2 3.32Å; I74-V96 PolarHBondContact O-N 3.36Å; L77-V96 HydrophobicContact CB-CG1 4.16Å; L77-V96 HydrophobicContact CB-CG2 4.31Å; A93-V96 HydrophobicContact CB-CG2 3.85Å; A93-V96 VanDerWaalsContact O-CB 3.26Å; A93-V96 WeakPolarHBondContact O-CB 3.43Å; A93-V96 WeakPolarHBondContact O-CG2 3.13Å; A93-V96 PolarHBondContact O-N 2.92Å; V96-V98 WeakPolarHBondContact CG1-O 3.47Å; V96-I99 HydrophobicContact CB-CG1 4.34Å; V96-I99 HydrophobicContact CG1-CD1 4.18Å; V96-I99 HydrophobicContact CG1-CG1 3.45Å; V96-I99 VanDerWaalsContact CG1-CG1 3.45Å; V96-F117 HydrophobicContact CB-CE1 4.48Å; V96-D119 CarbonylContact O-C 3.57Å; V96-L120 VanDerWaalsContact O-CA 3.26Å; V96-L120 WeakPolarHBondContact O-CA 3.35Å; V96-L120 PolarHBondContact O-N 3.46Å
97V96.9Very high92Very high35 Ų3542.8 Ų42.821%0.21225%0.254CS..SBendtrans-94.5-34.1177.7-177.80000111.5F49 I75 D119 N121 F122F49-V97 HydrophobicContact CE1-CB 4.27Å; F49-V97 HydrophobicContact CE2-CB 4.38Å; F49-V97 HydrophobicContact CE2-CG1 4.03Å; F49-V97 HydrophobicContact CZ-CB 3.75Å; F49-V97 HydrophobicContact CZ-CG1 3.89Å; F49-V97 HydrophobicContact CZ-CG2 4.19Å; I75-V97 PolarHBondContact O-N 2.99Å; V97-D119 WeakPolarHBondContact CA-O 3.48Å; V97-D119 HydrophobicContact CG2-CB 4.28Å; V97-N121 HydrophobicContact CG1-CB 3.97Å; V97-N121 PolarHBondContact O-N 3.1Å; V97-F122 PolarHBondContact O-N 3.45Å
98V97.6Very high92Very high4 Ų447.7 Ų47.72%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-129.9128.6-179.760.80000112.5V46 F49 I75 G76 L77 V96 F122V46-V98 HydrophobicContact CG2-CG1 4.21Å; V46-V98 HydrophobicContact CG2-CG2 3.99Å; F49-V98 HydrophobicContact CB-CG1 4.03Å; F49-V98 HydrophobicContact CD1-CB 4.49Å; F49-V98 HydrophobicContact CD1-CG1 3.36Å; F49-V98 HydrophobicContact CE1-CG1 3.92Å; F49-V98 HydrophobicContact CG-CG1 3.73Å; I75-V98 PolarHBondContact O-N 2.98Å; G76-V98 CarbonylContact C-O 3.43Å; G76-V98 WeakPolarHBondContact CA-O 3.05Å; L77-V98 PolarHBondContact N-O 3.08Å; V96-V98 WeakPolarHBondContact CG1-O 3.47Å; V98-F122 CarbonylContact C-O 3.19Å; V98-F122 VanDerWaalsContact CA-O 3.28Å; V98-F122 WeakPolarHBondContact CA-O 3.47Å; V98-F122 HydrophobicContact CB-CB 4.26Å; V98-F122 HydrophobicContact CG2-CB 4.02Å; V98-F122 HydrophobicContact CG2-CD1 3.92Å; V98-F122 HydrophobicContact CG2-CG 4.39Å
99I97.2Very high92.3Very high0 Ų041.3 Ų41.30%025%0.25CS..EExtended strand (participates in β ladder)trans-124.3131.1175-60.3173.7000109.8L77 L90 V96 L101 F114 F117 L120 F122 L123 I124L77-I99 HydrophobicContact CB-CG1 4.33Å; L77-I99 CarbonylContact O-C 3.57Å; L77-I99 WeakPolarHBondContact O-CA 3.43Å; L90-I99 HydrophobicContact CD1-CD1 4.35Å; V96-I99 HydrophobicContact CB-CG1 4.34Å; V96-I99 HydrophobicContact CG1-CD1 4.18Å; V96-I99 HydrophobicContact CG1-CG1 3.45Å; V96-I99 VanDerWaalsContact CG1-CG1 3.45Å; I99-L101 HydrophobicContact CG2-CD1 4.22Å; I99-L101 HydrophobicContact CG2-CG 3.92Å; I99-F114 HydrophobicContact CD1-CD1 4.21Å; I99-F114 HydrophobicContact CD1-CE1 3.88Å; I99-F117 HydrophobicContact CD1-CD1 4Å; I99-F117 HydrophobicContact CD1-CE1 3.75Å; I99-L120 HydrophobicContact CB-CD1 4.29Å; I99-L120 HydrophobicContact CD1-CD1 3.73Å; I99-L120 HydrophobicContact CD1-CD2 4.29Å; I99-L120 HydrophobicContact CG1-CD1 3.74Å; I99-F122 PolarHBondContact N-O 2.69Å; I99-L123 HydrophobicContact CB-CD1 3.72Å; I99-L123 HydrophobicContact CG2-CD1 3.87Å; I99-I124 PolarHBondContact O-N 3.49Å
100D97.3Very high92.6Very high6 Ų637.6 Ų37.63%0.03223%0.234CC..EExtended strand (participates in β ladder)trans-111114.2170.4-159.7-26.2000111.4V46 L77 L79 S80 S102 I124V46-D100 HydrophobicContact CG2-CB 3.87Å; L77-D100 PolarHBondContact O-N 2.82Å; L79-D100 CarbonylContact C-O 3.6Å; L79-D100 VanDerWaalsContact CA-O 3.29Å; L79-D100 WeakPolarHBondContact CA-O 3.49Å; L79-D100 PolarHBondContact N-O 3.36Å; S80-D100 PolarHBondContact N-O 3.24Å; S80-D100 VanDerWaalsContact N-O 3.16Å; D100-S102 WeakPolarHBondContact OD1-CB 3.07Å; D100-S102 PolarHBondContact OD1-N 2.9Å; D100-S102 PolarHBondContact OD1-OG 2.68Å; D100-I124 HydrophobicContact CB-CB 4.44Å; D100-I124 HydrophobicContact CB-CD1 3.91Å; D100-I124 WeakPolarHBondContact OD2-CD1 3.39Å
101L96.8Very high92.3Very high0 Ų040.3 Ų40.30%025%0.249CC..  trans-113.710.4174.4-70.9165.6000111.9L79 L84 V87 I99 N104 I106 I109 F114 L123 I124 L125L79-L101 HydrophobicContact CB-CD2 3.88Å; L79-L101 HydrophobicContact CD1-CD2 4.17Å; L84-L101 HydrophobicContact CD1-CD2 4.18Å; V87-L101 HydrophobicContact CG1-CD2 4.47Å; V87-L101 HydrophobicContact CG2-CD1 4.08Å; V87-L101 HydrophobicContact CG2-CD2 3.93Å; I99-L101 HydrophobicContact CG2-CD1 4.22Å; I99-L101 HydrophobicContact CG2-CG 3.92Å; L101-N104 PolarHBondContact O-ND2 2.86Å; L101-I106 HydrophobicContact CB-CD1 4.2Å; L101-I106 HydrophobicContact CD2-CD1 4.43Å; L101-I109 HydrophobicContact CD1-CD1 4.04Å; L101-F114 HydrophobicContact CD1-CZ 4.15Å; L101-L123 HydrophobicContact CD1-CD1 4.24Å; L101-I124 PolarHBondContact N-O 2.98Å; L101-L125 HydrophobicContact CB-CD2 4.23Å; L101-L125 HydrophobicContact CD1-CD2 3.89Å
102S96Very high92.6Very high5 Ų542.1 Ų42.14%0.03525%0.252CS..THydrogen-bonded Turntrans-60.6164.2-178.9640000112.8S80 S81 D100 N104 N147S80-S102 CarbonylContact C-O 3.49Å; S80-S102 WeakPolarHBondContact CA-O 3.49Å; S80-S102 WeakPolarHBondContact CB-O 3.11Å; S81-S102 PolarHBondContact N-O 2.87Å; D100-S102 WeakPolarHBondContact OD1-CB 3.07Å; D100-S102 PolarHBondContact OD1-N 2.9Å; D100-S102 PolarHBondContact OD1-OG 2.68Å; S102-N104 PolarHBondContact O-N 3.04Å; S102-N104 VanDerWaalsContact O-N 3.14Å; S102-N104 PolarHBondContact O-ND2 3.16Å; S102-N104 VanDerWaalsContact O-ND2 3.1Å; S102-N147 VanDerWaalsContact CB-OD1 3.23Å; S102-N147 WeakPolarHBondContact CB-OD1 3.46Å
103L94.8Very high93Very high116 Ų11640.5 Ų40.561%0.60723%0.233SC*.THydrogen-bonded Turntrans5927176.7-52.3173.4000114S81S81-L103 WeakPolarHBondContact CA-O 3.19Å
104N95.8Very high93.2Very high11 Ų1140.5 Ų40.56%0.05923%0.233CC..SBendtrans-113.5147.1173.8-72.9-68.9000111.1L79 C82 S83 L84 L101 S102 I106L79-N104 PolarHBondContact O-ND2 2.96Å; C82-N104 VanDerWaalsContact C-OD1 3.32Å; C82-N104 WeakPolarHBondContact CA-OD1 3.27Å; C82-N104 PolarHBondContact N-OD1 2.94Å; S83-N104 PolarHBondContact N-OD1 2.03Å; L84-N104 HydrophobicContact CB-CB 4.17Å; L84-N104 PolarHBondContact N-OD1 3.2Å; L101-N104 PolarHBondContact O-ND2 2.86Å; S102-N104 PolarHBondContact O-N 3.04Å; S102-N104 VanDerWaalsContact O-N 3.14Å; S102-N104 PolarHBondContact O-ND2 3.16Å; S102-N104 VanDerWaalsContact O-ND2 3.1Å; N104-I106 HydrophobicContact CB-CD1 3.77Å; N104-I106 HydrophobicContact CB-CG1 3.78Å; N104-I106 PolarHBondContact O-N 2.74Å
105P95.9Very high93.4Very high74 Ų7441.8 Ų41.848%0.48123%0.233SC..  trans-77.244.1175.135.2-38.4000112.9L84 T85L84-P105 CarbonylContact O-C 3.6Å; L84-P105 WeakPolarHBondContact O-CD 3.07Å; L84-P105 WeakPolarHBondContact O-CG 3.41Å; T85-P105 HydrophobicContact CG2-CG 4.01Å
106I95.8Very high93.3Very high12 Ų1240.7 Ų40.76%0.06223%0.229CC..  trans-75.2135.7177.5-60.1164.6000108.2L84 V87 L101 N104 N108 I109 I129L84-I106 HydrophobicContact CB-CG1 4.39Å; L84-I106 VanDerWaalsContact O-CG1 3.26Å; L84-I106 WeakPolarHBondContact O-CG1 2.97Å; L84-I106 PolarHBondContact O-N 3.07Å; V87-I106 HydrophobicContact CG2-CD1 3.64Å; V87-I106 HydrophobicContact CG2-CG1 4.36Å; L101-I106 HydrophobicContact CB-CD1 4.2Å; L101-I106 HydrophobicContact CD2-CD1 4.43Å; N104-I106 HydrophobicContact CB-CD1 3.77Å; N104-I106 HydrophobicContact CB-CG1 3.78Å; N104-I106 PolarHBondContact O-N 2.74Å; I106-N108 WeakPolarHBondContact CG2-O 3.28Å; I106-I109 HydrophobicContact CD1-CD1 4.45Å; I106-I109 HydrophobicContact CG2-CD1 4.11Å; I106-I109 HydrophobicContact CG2-CG1 3.6Å; I106-I129 HydrophobicContact CG2-CD1 4.23Å; I106-I129 HydrophobicContact CG2-CG1 4.39Å; I106-I129 WeakPolarHBondContact O-CD1 3.46Å
107T92.1Very high93.3Very high124 Ų12441 Ų4176%0.76123%0.23SC*.  trans-107.7-23.2178.2560000113.4I129T107-I129 WeakPolarHBondContact O-CD1 3.21Å
108N91.3Very high93.1Very high119 Ų11942.9 Ų42.964%0.63624%0.239SC*.  trans-158.9153.5176-166.612.4000110.1I106I106-N108 WeakPolarHBondContact CG2-O 3.28Å
109I91Very high93Very high15 Ų1546.7 Ų46.78%0.07726%0.259CS..  trans-131.1131.1172.7-56.9178.4000108.4V87 L101 I106 V113 F114 L125 I129V87-I109 HydrophobicContact CG2-CD1 4.25Å; V87-I109 HydrophobicContact CG2-CG1 4.38Å; L101-I109 HydrophobicContact CD1-CD1 4.04Å; I106-I109 HydrophobicContact CD1-CD1 4.45Å; I106-I109 HydrophobicContact CG2-CD1 4.11Å; I106-I109 HydrophobicContact CG2-CG1 3.6Å; I109-V113 HydrophobicContact CG2-CB 4.47Å; I109-V113 HydrophobicContact CG2-CG2 4.32Å; I109-F114 HydrophobicContact CG2-CE2 3.66Å; I109-F114 HydrophobicContact CG2-CZ 4.3Å; I109-L125 HydrophobicContact CD1-CD2 3.59Å; I109-I129 HydrophobicContact CB-CG2 4.45Å; I109-I129 HydrophobicContact CD1-CG2 3.78Å; I109-I129 HydrophobicContact CG1-CG2 3.92Å
110S89.3Confident92.9Very high51 Ų5146.7 Ų46.736%0.35726%0.259SS..  trans-77.9144.1177.4127.20000110E112 V113S110-E112 VanDerWaalsContact CB-OE2 3.23Å; S110-E112 WeakPolarHBondContact CB-OE2 3.31Å; S110-E112 PolarHBondContact O-N 3.04Å; S110-E112 WeakPolarHBondContact OG-CB 2.95Å; S110-E112 PolarHBondContact OG-N 3.3Å; S110-E112 PolarHBondContact OG-OE2 3.2Å; S110-V113 PolarHBondContact O-N 2.03Å
111N82Confident92.8Very high67 Ų6749.4 Ų49.436%0.35827%0.273SS..G310 helixtrans-67.1-22.5179-68.9-30.9000111.7V113 P132 G133N111-V113 VanDerWaalsContact C-N 3.27Å; N111-V113 PolarHBondContact O-N 3.4Å; N111-P132 WeakPolarHBondContact OD1-CA 3.43Å; N111-G133 PolarHBondContact OD1-N 3.39Å; N111-G133 VanDerWaalsContact OD1-N 3.08Å
112E88.1Confident92.9Very high107 Ų10751.1 Ų51.150%0.528%0.281SS..G310 helixtrans-66.4-28.6-178.8-61.668.8-153.800112.4S110 F114 Q115S110-E112 VanDerWaalsContact CB-OE2 3.23Å; S110-E112 WeakPolarHBondContact CB-OE2 3.31Å; S110-E112 PolarHBondContact O-N 3.04Å; S110-E112 WeakPolarHBondContact OG-CB 2.95Å; S110-E112 PolarHBondContact OG-N 3.3Å; S110-E112 PolarHBondContact OG-OE2 3.2Å; E112-F114 PolarHBondContact O-N 2.69Å; E112-Q115 VanDerWaalsContact O-CB 3.28Å; E112-Q115 WeakPolarHBondContact O-CB 3.28Å; E112-Q115 WeakPolarHBondContact O-CG 3.02Å; E112-Q115 PolarHBondContact O-N 2.63Å
113V91.6Very high92.9Very high10 Ų1050.9 Ų50.96%0.06128%0.279CS..G310 helixtrans-56.2-35.9179.9173.90000112.5V87 I109 S110 N111V87-V113 HydrophobicContact CB-CG1 4.48Å; V87-V113 HydrophobicContact CG1-CG1 3.78Å; V87-V113 VanDerWaalsContact O-CG2 3.26Å; V87-V113 WeakPolarHBondContact O-CG2 3.36Å; I109-V113 HydrophobicContact CG2-CB 4.47Å; I109-V113 HydrophobicContact CG2-CG2 4.32Å; S110-V113 PolarHBondContact O-N 2.03Å; N111-V113 VanDerWaalsContact C-N 3.27Å; N111-V113 PolarHBondContact O-N 3.4Å
114F92.6Very high93.1Very high0 Ų045.4 Ų45.40%025%0.25CS..G310 helixtrans-99.916.3-176.8-54.9-74.6000112.8I99 L101 I109 E112 G116 F117 L120 L123 P132 P178I99-F114 HydrophobicContact CD1-CD1 4.21Å; I99-F114 HydrophobicContact CD1-CE1 3.88Å; L101-F114 HydrophobicContact CD1-CZ 4.15Å; I109-F114 HydrophobicContact CG2-CE2 3.66Å; I109-F114 HydrophobicContact CG2-CZ 4.3Å; E112-F114 PolarHBondContact O-N 2.69Å; F114-G116 PolarHBondContact O-N 3.17Å; F114-F117 HydrophobicContact CB-CB 4.41Å; F114-F117 HydrophobicContact CB-CD2 4.34Å; F114-F117 HydrophobicContact CB-CG 4.4Å; F114-F117 HydrophobicContact CD1-CD1 4.48Å; F114-F117 HydrophobicContact CD1-CG 4.49Å; F114-F117 WeakPolarHBondContact O-CB 3.41Å; F114-F117 WeakPolarHBondContact O-CD2 3.1Å; F114-F117 PolarHBondContact O-N 3.01Å; F114-F117 VanDerWaalsContact O-N 3.17Å; F114-L120 HydrophobicContact CD1-CD2 3.91Å; F114-L120 HydrophobicContact CE1-CD2 4.44Å; F114-L120 HydrophobicContact CG-CD2 4.4Å; F114-L123 HydrophobicContact CE1-CD1 4.12Å; F114-L123 HydrophobicContact CE1-CD2 4.45Å; F114-L123 HydrophobicContact CE2-CD2 4.16Å; F114-L123 HydrophobicContact CZ-CD1 4.03Å; F114-L123 HydrophobicContact CZ-CD2 3.97Å; F114-P132 HydrophobicContact CD2-CB 3.96Å; F114-P132 HydrophobicContact CD2-CG 3.46Å; F114-P132 VanDerWaalsContact CD2-CG 3.46Å; F114-P132 HydrophobicContact CE2-CB 4.35Å; F114-P132 HydrophobicContact CE2-CG 3.39Å; F114-P132 HydrophobicContact CZ-CG 4.45Å; F114-P178 HydrophobicContact CB-CG 3.99Å
115Q91.2Very high93.1Very high84 Ų8444.9 Ų44.939%0.39325%0.248SC..THydrogen-bonded Turntrans-62.8131.7173.2-80.5-179.312.400111E112 F117 Y176E112-Q115 VanDerWaalsContact O-CB 3.28Å; E112-Q115 WeakPolarHBondContact O-CB 3.28Å; E112-Q115 WeakPolarHBondContact O-CG 3.02Å; E112-Q115 PolarHBondContact O-N 2.63Å; Q115-F117 VanDerWaalsContact C-N 3.28Å; Q115-F117 PolarHBondContact O-N 3.39Å; Q115-Y176 WeakPolarHBondContact CA-O 3.22Å; Q115-Y176 HydrophobicContact CB-CD1 3.99Å; Q115-Y176 HydrophobicContact CB-CE1 3.61Å; Q115-Y176 HydrophobicContact CG-CD1 4.04Å; Q115-Y176 HydrophobicContact CG-CE1 3.99Å
116G91.4Very high93.2Very high15 Ų1542.2 Ų42.216%0.15523%0.23CC..THydrogen-bonded Turntrans79.81.1-176.600000115.1F114 L118 Y176F114-G116 PolarHBondContact O-N 3.17Å; G116-L118 VanDerWaalsContact C-N 3.27Å; G116-L118 PolarHBondContact O-N 2.93Å; G116-Y176 PolarHBondContact N-O 3.45Å
117F94.3Very high93.1Very high7 Ų746.4 Ų46.43%0.03125%0.25CC..  trans-79.775.7172.8-75.4-112.7000110.1L90 A93 V96 I99 F114 Q115 L120 Q153 G177L90-F117 HydrophobicContact CB-CZ 3.87Å; L90-F117 HydrophobicContact CD1-CZ 4.22Å; A93-F117 HydrophobicContact CB-CE1 4.08Å; A93-F117 HydrophobicContact CB-CZ 4Å; A93-F117 WeakPolarHBondContact O-CE1 3.35Å; V96-F117 HydrophobicContact CB-CE1 4.48Å; I99-F117 HydrophobicContact CD1-CD1 4Å; I99-F117 HydrophobicContact CD1-CE1 3.75Å; F114-F117 HydrophobicContact CB-CB 4.41Å; F114-F117 HydrophobicContact CB-CD2 4.34Å; F114-F117 HydrophobicContact CB-CG 4.4Å; F114-F117 HydrophobicContact CD1-CD1 4.48Å; F114-F117 HydrophobicContact CD1-CG 4.49Å; F114-F117 WeakPolarHBondContact O-CB 3.41Å; F114-F117 WeakPolarHBondContact O-CD2 3.1Å; F114-F117 PolarHBondContact O-N 3.01Å; F114-F117 VanDerWaalsContact O-N 3.17Å; Q115-F117 VanDerWaalsContact C-N 3.28Å; Q115-F117 PolarHBondContact O-N 3.39Å; F117-L120 HydrophobicContact CB-CB 3.91Å; F117-L120 HydrophobicContact CB-CD2 4.35Å; F117-L120 HydrophobicContact CD1-CB 4.46Å; F117-L120 HydrophobicContact CD1-CD2 4.48Å; F117-Q153 PolarHBondContact O-NE2 3.19Å; F117-Q153 PolarHBondContact O-OE1 3.25Å; F117-G177 WeakPolarHBondContact O-CA 3.01Å
118L92.9Very high93.1Very high73 Ų7348.1 Ų48.138%0.38225%0.254SS..  trans-72.6-32-173.3-57.8-176.6000112.8G116 Q153 P175G116-L118 VanDerWaalsContact C-N 3.27Å; G116-L118 PolarHBondContact O-N 2.93Å; L118-Q153 PolarHBondContact O-NE2 3.44Å; L118-P175 WeakPolarHBondContact CD2-O 3.43Å
119D94.9Very high93.3Very high85 Ų8542.9 Ų42.946%0.45523%0.226SC..SBendtrans-96.8-2.7-174.2-59.5-42.6000113.3V96 V97 N121V96-D119 CarbonylContact O-C 3.57Å; V97-D119 WeakPolarHBondContact CA-O 3.48Å; V97-D119 HydrophobicContact CG2-CB 4.28Å; D119-N121 PolarHBondContact O-N 2.95Å; D119-N121 VanDerWaalsContact O-N 3.13Å
120L96.3Very high93.5Very high0 Ų045.6 Ų45.60%025%0.251CS..  trans-64116.4-178.1-179.266.7000109.7V96 I99 F114 F117 W138 Q153 P178V96-L120 VanDerWaalsContact O-CA 3.26Å; V96-L120 WeakPolarHBondContact O-CA 3.35Å; V96-L120 PolarHBondContact O-N 3.46Å; I99-L120 HydrophobicContact CB-CD1 4.29Å; I99-L120 HydrophobicContact CD1-CD1 3.73Å; I99-L120 HydrophobicContact CD1-CD2 4.29Å; I99-L120 HydrophobicContact CG1-CD1 3.74Å; F114-L120 HydrophobicContact CD1-CD2 3.91Å; F114-L120 HydrophobicContact CE1-CD2 4.44Å; F114-L120 HydrophobicContact CG-CD2 4.4Å; F117-L120 HydrophobicContact CB-CB 3.91Å; F117-L120 HydrophobicContact CB-CD2 4.35Å; F117-L120 HydrophobicContact CD1-CB 4.46Å; F117-L120 HydrophobicContact CD1-CD2 4.48Å; L120-W138 HydrophobicContact CD2-CH2 4.1Å; L120-W138 HydrophobicContact CG-CH2 4.07Å; L120-Q153 WeakPolarHBondContact O-CB 3.43Å; L120-Q153 PolarHBondContact O-OE1 3.45Å; L120-Q153 VanDerWaalsContact O-OE1 3.06Å; L120-P178 HydrophobicContact CD2-CG 3.94Å
121N95.7Very high93.7Very high62 Ų6243.4 Ų43.433%0.33224%0.236SC..  trans-122.1-16.4-174.2-157.664.1000112.9V97 D119 K151 D152 Q153V97-N121 HydrophobicContact CG1-CB 3.97Å; V97-N121 PolarHBondContact O-N 3.1Å; D119-N121 PolarHBondContact O-N 2.95Å; D119-N121 VanDerWaalsContact O-N 3.13Å; N121-K151 CarbonylContact O-C 3.57Å; N121-K151 WeakPolarHBondContact O-CA 3.03Å; N121-D152 PolarHBondContact ND2-OD1 2.89Å; N121-D152 PolarHBondContact O-N 3.18Å; N121-D152 VanDerWaalsContact OD1-CA 3.26Å; N121-D152 WeakPolarHBondContact OD1-CA 3.06Å; N121-Q153 PolarHBondContact OD1-N 3.14Å
122F97.5Very high94.3Very high36 Ų3640.4 Ų40.416%0.15822%0.22CC..EExtended strand (participates in β ladder)trans-142.7116.6-179.4-156.6-91.2000110.7Y45 V97 V98 I99 I124 L149 C150 K151Y45-F122 AromaticContact CD1-CE1 3.67Å; Y45-F122 HydrophobicContact CD1-CE1 3.67Å; Y45-F122 AromaticContact CD1-CZ 3.67Å; Y45-F122 HydrophobicContact CD1-CZ 3.67Å; Y45-F122 AromaticContact CD2-CE1 3.97Å; Y45-F122 HydrophobicContact CD2-CE1 3.97Å; Y45-F122 HydrophobicContact CD2-CZ 4.42Å; Y45-F122 HydrophobicContact CE1-CE1 4.03Å; Y45-F122 HydrophobicContact CE1-CE2 4.49Å; Y45-F122 AromaticContact CE1-CZ 3.6Å; Y45-F122 HydrophobicContact CE1-CZ 3.6Å; Y45-F122 HydrophobicContact CE2-CE1 4.29Å; Y45-F122 HydrophobicContact CE2-CZ 4.35Å; Y45-F122 HydrophobicContact CG-CD1 4.5Å; Y45-F122 AromaticContact CG-CE1 3.64Å; Y45-F122 HydrophobicContact CG-CE1 3.64Å; Y45-F122 HydrophobicContact CG-CZ 4.09Å; Y45-F122 AromaticContact CZ-CZ 3.95Å; V97-F122 PolarHBondContact O-N 3.45Å; V98-F122 CarbonylContact C-O 3.19Å; V98-F122 VanDerWaalsContact CA-O 3.28Å; V98-F122 WeakPolarHBondContact CA-O 3.47Å; V98-F122 HydrophobicContact CB-CB 4.26Å; V98-F122 HydrophobicContact CG2-CB 4.02Å; V98-F122 HydrophobicContact CG2-CD1 3.92Å; V98-F122 HydrophobicContact CG2-CG 4.39Å; I99-F122 PolarHBondContact N-O 2.69Å; F122-I124 HydrophobicContact CD1-CD1 4.04Å; F122-I124 HydrophobicContact CD1-CG1 3.78Å; F122-I124 HydrophobicContact CE1-CD1 3.77Å; F122-I124 HydrophobicContact CE1-CG1 3.52Å; F122-L149 HydrophobicContact CE1-CD2 4.42Å; F122-L149 HydrophobicContact CZ-CD1 4.45Å; F122-C150 WeakPolarHBondContact CA-O 3.31Å; F122-K151 HydrophobicContact CD2-CB 4.27Å; F122-K151 HydrophobicContact CD2-CD 4.14Å; F122-K151 HydrophobicContact CD2-CG 3.71Å; F122-K151 HydrophobicContact CE2-CB 4.44Å; F122-K151 HydrophobicContact CE2-CD 3.51Å; F122-K151 VanDerWaalsContact CE2-CE 3.47Å; F122-K151 HydrophobicContact CE2-CG 3.48Å; F122-K151 VanDerWaalsContact CE2-CG 3.48Å; F122-K151 HydrophobicContact CZ-CD 4.38Å; F122-K151 HydrophobicContact CZ-CG 4.36Å
123L97.4Very high94.3Very high0 Ų036.5 Ų36.50%021%0.209CC..EExtended strand (participates in β ladder)trans-124.2127.7178.8178.865.4000109.5I99 L101 F114 L125 P132 W138 C150I99-L123 HydrophobicContact CB-CD1 3.72Å; I99-L123 HydrophobicContact CG2-CD1 3.87Å; L101-L123 HydrophobicContact CD1-CD1 4.24Å; F114-L123 HydrophobicContact CE1-CD1 4.12Å; F114-L123 HydrophobicContact CE1-CD2 4.45Å; F114-L123 HydrophobicContact CE2-CD2 4.16Å; F114-L123 HydrophobicContact CZ-CD1 4.03Å; F114-L123 HydrophobicContact CZ-CD2 3.97Å; L123-L125 HydrophobicContact CD1-CD2 4Å; L123-L125 HydrophobicContact CD2-CD1 3.96Å; L123-L125 HydrophobicContact CD2-CD2 4Å; L123-L125 HydrophobicContact CD2-CG 4.12Å; L123-L125 HydrophobicContact CG-CD1 4.26Å; L123-L125 HydrophobicContact CG-CD2 3.84Å; L123-L125 HydrophobicContact CG-CG 3.9Å; L123-P132 HydrophobicContact CD2-CG 3.82Å; L123-W138 HydrophobicContact CB-CH2 3.94Å; L123-W138 HydrophobicContact CB-CZ2 4.23Å; L123-W138 HydrophobicContact CD2-CZ2 4.19Å; L123-C150 HydrophobicContact CB-CB 4.11Å; L123-C150 PolarHBondContact N-O 3.21Å; L123-C150 PolarHBondContact O-N 3.27Å
124I97.8Very high94.3Very high1 Ų137.3 Ų37.31%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-111.8121.1179.8-52.1157.6000107.4Y45 I99 D100 L101 F122 N147 L149Y45-I124 HydrophobicContact CD2-CD1 3.6Å; Y45-I124 HydrophobicContact CD2-CG1 4.41Å; Y45-I124 HydrophobicContact CG-CD1 3.94Å; I99-I124 PolarHBondContact O-N 3.49Å; D100-I124 HydrophobicContact CB-CB 4.44Å; D100-I124 HydrophobicContact CB-CD1 3.91Å; D100-I124 WeakPolarHBondContact OD2-CD1 3.39Å; L101-I124 PolarHBondContact N-O 2.98Å; F122-I124 HydrophobicContact CD1-CD1 4.04Å; F122-I124 HydrophobicContact CD1-CG1 3.78Å; F122-I124 HydrophobicContact CE1-CD1 3.77Å; F122-I124 HydrophobicContact CE1-CG1 3.52Å; I124-N147 HydrophobicContact CG2-CB 4Å; I124-L149 HydrophobicContact CB-CD2 4.19Å; I124-L149 HydrophobicContact CG1-CD2 3.85Å; I124-L149 HydrophobicContact CG2-CD2 3.78Å
125L97.3Very high94.2Very high0 Ų043.6 Ų43.60%025%0.252CS..EExtended strand (participates in β ladder)trans-122157.9-176.1-59.7173.3000109.9L101 I109 L123 I129 N147 Q148L101-L125 HydrophobicContact CB-CD2 4.23Å; L101-L125 HydrophobicContact CD1-CD2 3.89Å; I109-L125 HydrophobicContact CD1-CD2 3.59Å; L123-L125 HydrophobicContact CD1-CD2 4Å; L123-L125 HydrophobicContact CD2-CD1 3.96Å; L123-L125 HydrophobicContact CD2-CD2 4Å; L123-L125 HydrophobicContact CD2-CG 4.12Å; L123-L125 HydrophobicContact CG-CD1 4.26Å; L123-L125 HydrophobicContact CG-CD2 3.84Å; L123-L125 HydrophobicContact CG-CG 3.9Å; L125-I129 HydrophobicContact CB-CB 4.2Å; L125-I129 HydrophobicContact CB-CG2 4.39Å; L125-I129 HydrophobicContact CD1-CG2 4.11Å; L125-N147 CarbonylContact O-C 3.58Å; L125-N147 VanDerWaalsContact O-CA 3.3Å; L125-N147 WeakPolarHBondContact O-CA 3.26Å; L125-N147 WeakPolarHBondContact O-CB 3.18Å; L125-Q148 HydrophobicContact CB-CB 4.33Å; L125-Q148 PolarHBondContact N-O 3.35Å; L125-Q148 PolarHBondContact O-N 3.16Å
126P96.5Very high94Very high18 Ų1841.4 Ų41.412%0.11725%0.248CC..EExtended strand (participates in β ladder)trans-54.1146.5162.5-21.433.1000110.9D128 I129P126-D128 VanDerWaalsContact C-N 3.27Å; P126-D128 PolarHBondContact O-N 2.91Å; P126-D128 VanDerWaalsContact O-N 3.16Å; P126-I129 HydrophobicContact CB-CG1 4.07Å; P126-I129 HydrophobicContact CG-CG1 4.22Å; P126-I129 PolarHBondContact O-N 2.76Å
127E94Very high94Very high101 Ų10140.7 Ų40.747%0.47224%0.241SC..THydrogen-bonded Turntrans-52.1-38.5-173.6178.8169.7-174.600114.8I129 V143 G146 Q148E127-I129 PolarHBondContact O-N 2.92Å; E127-V143 HydrophobicContact CG-CG1 3.84Å; E127-G146 WeakPolarHBondContact CB-O 3.26Å; E127-G146 PolarHBondContact N-O 3.2Å; E127-G146 WeakPolarHBondContact OE2-CA 3.28Å; E127-Q148 PolarHBondContact O-OE1 3.26Å
128D92.8Very high94.1Very high159 Ų15940.5 Ų40.585%0.8524%0.24SC*.THydrogen-bonded Turntrans-80.5-0.1-177.1-63.5-46.9000113.7P126P126-D128 VanDerWaalsContact C-N 3.27Å; P126-D128 PolarHBondContact O-N 2.91Å; P126-D128 VanDerWaalsContact O-N 3.16Å
129I95.1Very high94.2Very high9 Ų943.1 Ų43.15%0.04625%0.251CS..SBendtrans-103.2114.8-176.9-56-59.7000110.7I106 T107 I109 L125 P126 E127 Q148I106-I129 HydrophobicContact CG2-CD1 4.23Å; I106-I129 HydrophobicContact CG2-CG1 4.39Å; I106-I129 WeakPolarHBondContact O-CD1 3.46Å; T107-I129 WeakPolarHBondContact O-CD1 3.21Å; I109-I129 HydrophobicContact CB-CG2 4.45Å; I109-I129 HydrophobicContact CD1-CG2 3.78Å; I109-I129 HydrophobicContact CG1-CG2 3.92Å; L125-I129 HydrophobicContact CB-CB 4.2Å; L125-I129 HydrophobicContact CB-CG2 4.39Å; L125-I129 HydrophobicContact CD1-CG2 4.11Å; P126-I129 HydrophobicContact CB-CG1 4.07Å; P126-I129 HydrophobicContact CG-CG1 4.22Å; P126-I129 PolarHBondContact O-N 2.76Å; E127-I129 PolarHBondContact O-N 2.92Å; I129-Q148 PolarHBondContact O-OE1 3.11Å
130A94.3Very high94.3Very high73 Ų7342.9 Ų42.960%0.60325%0.247SC*.PPolyproline II helixtrans-63.7142.4177.100000112.2
131C95.1Very high94.3Very high5 Ų545.4 Ų45.43%0.03426%0.26CS..PPolyproline II helixtrans-56.7134.2170.6-64.50000111.3G133 G134 W138 I141 Q148 C150C131-G133 PolarHBondContact O-N 3.05Å; C131-G134 WeakPolarHBondContact O-CA 3.18Å; C131-G134 PolarHBondContact O-N 3.41Å; C131-W138 HydrophobicContact CB-CG 4.47Å; C131-I141 HydrophobicContact CB-CD1 3.85Å; C131-I141 HydrophobicContact CB-CG1 4.4Å; C131-Q148 PolarHBondContact SG-NE2 3.19Å; C131-C150 VanDerWaalsContact CA-SG 3.5Å; C131-C150 HydrophobicContact CB-CB 3.84Å; C131-C150 WeakPolarHBondContact CB-SG 3.1Å; C131-C150 WeakPolarHBondContact SG-CB 3.29Å; C131-C150 CovalentContact SG-SG 2.02Å; C131-C150 PolarHBondContact SG-SG 3.29Å
132P93.3Very high94.3Very high3 Ų345.6 Ų45.62%0.01926%0.258CS..THydrogen-bonded Turntrans-54.8129.3176.2-24.532.2000111.2N111 F114 L123 G134 S137 W138 P178N111-P132 WeakPolarHBondContact OD1-CA 3.43Å; F114-P132 HydrophobicContact CD2-CB 3.96Å; F114-P132 HydrophobicContact CD2-CG 3.46Å; F114-P132 VanDerWaalsContact CD2-CG 3.46Å; F114-P132 HydrophobicContact CE2-CB 4.35Å; F114-P132 HydrophobicContact CE2-CG 3.39Å; F114-P132 HydrophobicContact CZ-CG 4.45Å; L123-P132 HydrophobicContact CD2-CG 3.82Å; P132-G134 PolarHBondContact O-N 3.32Å; P132-G134 VanDerWaalsContact O-N 3.16Å; P132-S137 WeakPolarHBondContact O-CB 3.47Å; P132-W138 PolarHBondContact O-NE1 3.28Å; P132-P178 HydrophobicContact CB-CB 4.11Å
133G89.4Confident94.2Very high26 Ų2648 Ų4827%0.26828%0.276SS..THydrogen-bonded Turntrans63.110.8-174.500000116.2N111 C131 S137N111-G133 PolarHBondContact OD1-N 3.39Å; N111-G133 VanDerWaalsContact OD1-N 3.08Å; C131-G133 PolarHBondContact O-N 3.05Å; G133-S137 WeakPolarHBondContact CA-OG 3.4Å; G133-S137 PolarHBondContact O-N 3.16Å; G133-S137 PolarHBondContact O-OG 2.05Å
134G91.3Very high94Very high26 Ų2652.7 Ų52.727%0.26830%0.296SS..Hα-helixtrans57.4-154.3169.600000115.9C131 P132 A136 S137C131-G134 WeakPolarHBondContact O-CA 3.18Å; C131-G134 PolarHBondContact O-N 3.41Å; P132-G134 PolarHBondContact O-N 3.32Å; P132-G134 VanDerWaalsContact O-N 3.16Å; G134-A136 PolarHBondContact O-N 3.46Å; G134-A136 VanDerWaalsContact O-N 3.11Å; G134-S137 PolarHBondContact O-N 3.43Å
135N89.9Confident93.7Very high132 Ų13260.9 Ų60.971%0.70634%0.335SS*.Hα-helixtrans-61.5-21.1-176.8-7032.1000114.4S137 I141 K154N135-S137 VanDerWaalsContact C-N 3.26Å; N135-I141 WeakPolarHBondContact OD1-CD1 3.49Å; N135-K154 PolarHBondContact O-NZ 3.07Å
136A87.7Confident93.4Very high38 Ų3862.6 Ų62.631%0.31435%0.353SS..Hα-helixtrans-67.6-32172.900000110.6G134 K154 Q159G134-A136 PolarHBondContact O-N 3.46Å; G134-A136 VanDerWaalsContact O-N 3.11Å; A136-K154 VanDerWaalsContact O-CD 3.23Å; A136-K154 WeakPolarHBondContact O-CD 3.46Å; A136-Q159 PolarHBondContact O-NE2 2.59Å
137S91.6Very high93.3Very high1 Ų163.2 Ų63.21%0.00736%0.355CS..Hα-helixtrans-91.9-15.4-170.6-54.80000115.1P132 G133 G134 N135 Q153 K154 M156 G179P132-S137 WeakPolarHBondContact O-CB 3.47Å; G133-S137 WeakPolarHBondContact CA-OG 3.4Å; G133-S137 PolarHBondContact O-N 3.16Å; G133-S137 PolarHBondContact O-OG 2.05Å; G134-S137 PolarHBondContact O-N 3.43Å; N135-S137 VanDerWaalsContact C-N 3.26Å; S137-Q153 WeakPolarHBondContact O-CA 3.23Å; S137-K154 PolarHBondContact O-N 3.27Å; S137-M156 WeakPolarHBondContact OG-CE 3.25Å; S137-G179 WeakPolarHBondContact OG-CA 3.35Å; S137-G179 PolarHBondContact OG-N 2.47Å
138W94.6Very high93.4Very high2 Ų259.7 Ų59.71%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-131.7141.6-172-58.995.7000110.6L120 L123 C131 P132 Q140 I141 C150 Q153 K154 P178L120-W138 HydrophobicContact CD2-CH2 4.1Å; L120-W138 HydrophobicContact CG-CH2 4.07Å; L123-W138 HydrophobicContact CB-CH2 3.94Å; L123-W138 HydrophobicContact CB-CZ2 4.23Å; L123-W138 HydrophobicContact CD2-CZ2 4.19Å; C131-W138 HydrophobicContact CB-CG 4.47Å; P132-W138 PolarHBondContact O-NE1 3.28Å; W138-Q140 VanDerWaalsContact C-N 3.33Å; W138-I141 HydrophobicContact CB-CD1 4.26Å; W138-I141 HydrophobicContact CB-CG1 3.91Å; W138-I141 HydrophobicContact CG-CG1 4.48Å; W138-C150 HydrophobicContact CD2-CB 3.46Å; W138-C150 VanDerWaalsContact CD2-CB 3.46Å; W138-C150 HydrophobicContact CE3-CB 3.78Å; W138-C150 HydrophobicContact CG-CB 3.85Å; W138-C150 HydrophobicContact CH2-CB 4.12Å; W138-C150 HydrophobicContact CZ2-CB 3.87Å; W138-C150 HydrophobicContact CZ3-CB 4.09Å; W138-Q153 HydrophobicContact CE3-CB 4.26Å; W138-Q153 HydrophobicContact CZ3-CB 4.01Å; W138-K154 WeakPolarHBondContact O-CE 3.1Å; W138-K154 PolarHBondContact O-NZ 3.26Å; W138-P178 HydrophobicContact CH2-CG 4.26Å; W138-P178 HydrophobicContact CZ2-CB 3.86Å; W138-P178 HydrophobicContact CZ2-CG 3.73Å
139Q95.4Very high93.6Very high129 Ų12952.2 Ų52.260%0.60330%0.298SS*.EExtended strand (participates in β ladder)trans-68.6-38173.9-169.859.319.400111.4K151 D152Q139-K151 PolarHBondContact N-O 2.96Å; Q139-K151 VanDerWaalsContact N-O 3.14Å; Q139-D152 HydrophobicContact CB-CB 3.7Å; Q139-D152 PolarHBondContact N-O 3.12Å
140Q96.6Very high93.7Very high79 Ų7951.8 Ų51.837%0.36930%0.296SS..EExtended strand (participates in β ladder)trans-141.5129.9-174-179.8170.723.300110.1W138 E142 K151W138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-E142 HydrophobicContact CG-CG 3.86Å; Q140-E142 PolarHBondContact NE2-OE1 3.41Å; Q140-K151 HydrophobicContact CB-CB 4.29Å; Q140-K151 PolarHBondContact N-O 3.46Å; Q140-K151 PolarHBondContact O-N 3.46Å
141I96.6Very high93.9Very high53 Ų5349.9 Ų49.927%0.27227%0.274SS..EExtended strand (participates in β ladder)trans-122.7124.6172.8-61.1176.3000107C131 N135 W138 Q148 L149C131-I141 HydrophobicContact CB-CD1 3.85Å; C131-I141 HydrophobicContact CB-CG1 4.4Å; N135-I141 WeakPolarHBondContact OD1-CD1 3.49Å; W138-I141 HydrophobicContact CB-CD1 4.26Å; W138-I141 HydrophobicContact CB-CG1 3.91Å; W138-I141 HydrophobicContact CG-CG1 4.48Å; I141-Q148 HydrophobicContact CG2-CG 4.18Å; I141-L149 VanDerWaalsContact CA-O 3.31Å; I141-L149 WeakPolarHBondContact CA-O 3.3Å
142E96.1Very high93.9Very high66 Ų6653.1 Ų53.131%0.30829%0.291SS..EExtended strand (participates in β ladder)trans-131.5147-178.4-63.7-177.8154.300110.8Q140 Q148 L149 K151Q140-E142 HydrophobicContact CG-CG 3.86Å; Q140-E142 PolarHBondContact NE2-OE1 3.41Å; E142-Q148 CarbonylContact O-C 3.31Å; E142-L149 HydrophobicContact CB-CB 4.42Å; E142-L149 PolarHBondContact N-O 3.44Å; E142-L149 PolarHBondContact O-N 3.45Å; E142-K151 WeakPolarHBondContact OE2-CE 3.27Å; E142-K151 IonicContact OE2-NZ 2.65Å; E142-K151 PolarHBondContact OE2-NZ 2.04Å
143V95.9Very high93.9Very high88 Ų8854.6 Ų54.653%0.53330%0.298SS..EExtended strand (participates in β ladder)trans-102.8122.1166.1-179.30000108.1E127 N147E127-V143 HydrophobicContact CG-CG1 3.84Å; V143-N147 CarbonylContact C-O 3.53Å; V143-N147 WeakPolarHBondContact CA-O 3.42Å
144K93.9Very high94Very high97 Ų9756.5 Ų56.542%0.42230%0.299SS..EExtended strand (participates in β ladder)trans-141.1125.4-178.8-172.1179.2177.9-174.80110G146 N147 L149K144-G146 VanDerWaalsContact C-N 3.27Å; K144-G146 PolarHBondContact O-N 2.92Å; K144-N147 PolarHBondContact N-O 2.95Å; K144-N147 PolarHBondContact O-N 3.24Å; K144-L149 HydrophobicContact CB-CD1 3.88Å; K144-L149 HydrophobicContact CB-CG 4.48Å; K144-L149 HydrophobicContact CD-CD1 4.21Å
145Q89.6Confident93.9Very high174 Ų17458 Ų5881%0.81330%0.3SS*.THydrogen-bonded Turntrans54.238.5175-64.3172.9-3700113.9N147Q145-N147 VanDerWaalsContact C-N 3.33Å
146G90.9Very high93.6Very high36 Ų3652.2 Ų52.237%0.37127%0.269SS..THydrogen-bonded Turntrans78.614.2-179.600000114.9E127 K144E127-G146 WeakPolarHBondContact CB-O 3.26Å; E127-G146 PolarHBondContact N-O 3.2Å; E127-G146 WeakPolarHBondContact OE2-CA 3.28Å; K144-G146 VanDerWaalsContact C-N 3.27Å; K144-G146 PolarHBondContact O-N 2.92Å
147N95.6Very high93.4Very high30 Ų3052.1 Ų52.116%0.1627%0.266CS..EExtended strand (participates in β ladder)trans-124.1145.2175.5-65.2-37.5000110.9S102 I124 L125 V143 K144 Q145 L149S102-N147 VanDerWaalsContact CB-OD1 3.23Å; S102-N147 WeakPolarHBondContact CB-OD1 3.46Å; I124-N147 HydrophobicContact CG2-CB 4Å; L125-N147 CarbonylContact O-C 3.58Å; L125-N147 VanDerWaalsContact O-CA 3.3Å; L125-N147 WeakPolarHBondContact O-CA 3.26Å; L125-N147 WeakPolarHBondContact O-CB 3.18Å; V143-N147 CarbonylContact C-O 3.53Å; V143-N147 WeakPolarHBondContact CA-O 3.42Å; K144-N147 PolarHBondContact N-O 2.95Å; K144-N147 PolarHBondContact O-N 3.24Å; Q145-N147 VanDerWaalsContact C-N 3.33Å; N147-L149 HydrophobicContact CB-CD2 4.39Å
148Q96.3Very high92.9Very high27 Ų2757.9 Ų57.913%0.12630%0.297CS..EExtended strand (participates in β ladder)trans-91.5123.1168.2177155.9-12.200109.5L125 E127 I129 C131 I141 E142L125-Q148 HydrophobicContact CB-CB 4.33Å; L125-Q148 PolarHBondContact N-O 3.35Å; L125-Q148 PolarHBondContact O-N 3.16Å; E127-Q148 PolarHBondContact O-OE1 3.26Å; I129-Q148 PolarHBondContact O-OE1 3.11Å; C131-Q148 PolarHBondContact SG-NE2 3.19Å; I141-Q148 HydrophobicContact CG2-CG 4.18Å; E142-Q148 CarbonylContact O-C 3.31Å
149L97.4Very high91.7Very high2 Ų260.4 Ų60.41%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-107.6117.9-178.3-52.9-177.4000109.5Y45 F122 I124 I141 E142 K144 N147Y45-L149 HydrophobicContact CE2-CD2 4.48Å; F122-L149 HydrophobicContact CE1-CD2 4.42Å; F122-L149 HydrophobicContact CZ-CD1 4.45Å; I124-L149 HydrophobicContact CB-CD2 4.19Å; I124-L149 HydrophobicContact CG1-CD2 3.85Å; I124-L149 HydrophobicContact CG2-CD2 3.78Å; I141-L149 VanDerWaalsContact CA-O 3.31Å; I141-L149 WeakPolarHBondContact CA-O 3.3Å; E142-L149 HydrophobicContact CB-CB 4.42Å; E142-L149 PolarHBondContact N-O 3.44Å; E142-L149 PolarHBondContact O-N 3.45Å; K144-L149 HydrophobicContact CB-CD1 3.88Å; K144-L149 HydrophobicContact CB-CG 4.48Å; K144-L149 HydrophobicContact CD-CD1 4.21Å; N147-L149 HydrophobicContact CB-CD2 4.39Å
150C97.4Very high89.7Confident0 Ų061.7 Ų61.70%033%0.325CS..EExtended strand (participates in β ladder)trans-103.9118.2174.3-36.30000108.4F122 L123 C131 W138F122-C150 WeakPolarHBondContact CA-O 3.31Å; L123-C150 HydrophobicContact CB-CB 4.11Å; L123-C150 PolarHBondContact N-O 3.21Å; L123-C150 PolarHBondContact O-N 3.27Å; C131-C150 VanDerWaalsContact CA-SG 3.5Å; C131-C150 HydrophobicContact CB-CB 3.84Å; C131-C150 WeakPolarHBondContact CB-SG 3.1Å; C131-C150 WeakPolarHBondContact SG-CB 3.29Å; C131-C150 CovalentContact SG-SG 2.02Å; C131-C150 PolarHBondContact SG-SG 3.29Å; W138-C150 HydrophobicContact CD2-CB 3.46Å; W138-C150 VanDerWaalsContact CD2-CB 3.46Å; W138-C150 HydrophobicContact CE3-CB 3.78Å; W138-C150 HydrophobicContact CG-CB 3.85Å; W138-C150 HydrophobicContact CH2-CB 4.12Å; W138-C150 HydrophobicContact CZ2-CB 3.87Å; W138-C150 HydrophobicContact CZ3-CB 4.09Å
151K97.3Very high87.6Confident34 Ų3461.4 Ų61.415%0.14834%0.344CS..EExtended strand (participates in β ladder)trans-125.9145-172.7-47.2-176.2-172.9170.50112N121 F122 Q139 Q140 E142N121-K151 CarbonylContact O-C 3.57Å; N121-K151 WeakPolarHBondContact O-CA 3.03Å; F122-K151 HydrophobicContact CD2-CB 4.27Å; F122-K151 HydrophobicContact CD2-CD 4.14Å; F122-K151 HydrophobicContact CD2-CG 3.71Å; F122-K151 HydrophobicContact CE2-CB 4.44Å; F122-K151 HydrophobicContact CE2-CD 3.51Å; F122-K151 VanDerWaalsContact CE2-CE 3.47Å; F122-K151 HydrophobicContact CE2-CG 3.48Å; F122-K151 VanDerWaalsContact CE2-CG 3.48Å; F122-K151 HydrophobicContact CZ-CD 4.38Å; F122-K151 HydrophobicContact CZ-CG 4.36Å; Q139-K151 PolarHBondContact N-O 2.96Å; Q139-K151 VanDerWaalsContact N-O 3.14Å; Q140-K151 HydrophobicContact CB-CB 4.29Å; Q140-K151 PolarHBondContact N-O 3.46Å; Q140-K151 PolarHBondContact O-N 3.46Å; E142-K151 WeakPolarHBondContact OE2-CE 3.27Å; E142-K151 IonicContact OE2-NZ 2.65Å; E142-K151 PolarHBondContact OE2-NZ 2.04Å
152D95.5Very high85.2Confident72 Ų7266.8 Ų66.839%0.38537%0.368SS..EExtended strand (participates in β ladder)trans56.287.1176.9-54-47.3000112.2N121 Q139 K154N121-D152 PolarHBondContact ND2-OD1 2.89Å; N121-D152 PolarHBondContact O-N 3.18Å; N121-D152 VanDerWaalsContact OD1-CA 3.26Å; N121-D152 WeakPolarHBondContact OD1-CA 3.06Å; Q139-D152 HydrophobicContact CB-CB 3.7Å; Q139-D152 PolarHBondContact N-O 3.12Å; D152-K154 PolarHBondContact O-N 3.38Å
153Q93.6Very high82.9Confident35 Ų3570.3 Ų70.316%0.16439%0.386CS..EExtended strand (participates in β ladder)trans-61.3130.1179.6174.9176.7-59.100110.2F117 L118 L120 N121 S137 W138 P178F117-Q153 PolarHBondContact O-NE2 3.19Å; F117-Q153 PolarHBondContact O-OE1 3.25Å; L118-Q153 PolarHBondContact O-NE2 3.44Å; L120-Q153 WeakPolarHBondContact O-CB 3.43Å; L120-Q153 PolarHBondContact O-OE1 3.45Å; L120-Q153 VanDerWaalsContact O-OE1 3.06Å; N121-Q153 PolarHBondContact OD1-N 3.14Å; S137-Q153 WeakPolarHBondContact O-CA 3.23Å; W138-Q153 HydrophobicContact CE3-CB 4.26Å; W138-Q153 HydrophobicContact CZ3-CB 4.01Å; Q153-P178 VanDerWaalsContact OE1-CG 3.23Å
154K91.6Very high80.7Confident65 Ų6570.3 Ų70.328%0.28339%0.39SS..PPolyproline II helixtrans-85.5141176-73.3169.9171.8153.10110.6N135 A136 S137 W138 D152 M156N135-K154 PolarHBondContact O-NZ 3.07Å; A136-K154 VanDerWaalsContact O-CD 3.23Å; A136-K154 WeakPolarHBondContact O-CD 3.46Å; S137-K154 PolarHBondContact O-N 3.27Å; W138-K154 WeakPolarHBondContact O-CE 3.1Å; W138-K154 PolarHBondContact O-NZ 3.26Å; D152-K154 PolarHBondContact O-N 3.38Å; K154-M156 PolarHBondContact O-N 3.34Å
155N88.4Confident79.1Confident57 Ų5767.7 Ų67.731%0.30538%0.38SS..PPolyproline II helixtrans-70.5116.3166.6-172.9-21.3000109.8C157 N158N155-C157 VanDerWaalsContact C-N 3.25Å; N155-C157 PolarHBondContact O-N 3.38Å; N155-C157 WeakPolarHBondContact OD1-CB 3.12Å; N155-C157 PolarHBondContact OD1-N 3.24Å; N155-N158 HydrophobicContact CB-CB 4.42Å; N155-N158 PolarHBondContact O-N 3.24Å
156M84.3Confident78.1Confident11 Ų1165.6 Ų65.65%0.05437%0.374CS..G310 helixtrans-56.8-36.1177.6-77.4-67.2135.900113.2S137 K154 N158 Q159 M165 F181S137-M156 WeakPolarHBondContact OG-CE 3.25Å; K154-M156 PolarHBondContact O-N 3.34Å; M156-N158 PolarHBondContact O-N 3.36Å; M156-Q159 PolarHBondContact O-N 2.97Å; M156-M165 HydrophobicContact CB-CE 3.71Å; M156-M165 HydrophobicContact CB-SD 4.46Å; M156-M165 WeakPolarHBondContact O-CE 3.35Å; M156-M165 HydrophobicContact SD-CE 4.39Å; M156-F181 HydrophobicContact CB-CB 4.08Å
157C83.8Confident77.8Confident37 Ų3765.1 Ų65.125%0.2537%0.365CS..G310 helixtrans-70-17.1-179-57.10000113.8N155 Q159 C173 G174N155-C157 VanDerWaalsContact C-N 3.25Å; N155-C157 PolarHBondContact O-N 3.38Å; N155-C157 WeakPolarHBondContact OD1-CB 3.12Å; N155-C157 PolarHBondContact OD1-N 3.24Å; C157-Q159 VanDerWaalsContact C-N 3.34Å; C157-C173 VanDerWaalsContact CA-SG 3.51Å; C157-C173 HydrophobicContact CB-CB 3.71Å; C157-C173 WeakPolarHBondContact CB-SG 3.31Å; C157-C173 WeakPolarHBondContact SG-CB 3.03Å; C157-C173 PolarHBondContact SG-O 3.45Å; C157-C173 VanDerWaalsContact SG-O 3.4Å; C157-C173 CovalentContact SG-SG 2.04Å; C157-C173 PolarHBondContact SG-SG 2.95Å; C157-G174 PolarHBondContact SG-N 2.87Å; C157-G174 VanDerWaalsContact SG-N 3.43Å
158N80.8Confident77.3Confident121 Ų12166.2 Ų66.265%0.64737%0.373SS*.G310 helixtrans-89.72.2-179.9-70.6-9000113.1N155 M156 T160N155-N158 HydrophobicContact CB-CB 4.42Å; N155-N158 PolarHBondContact O-N 3.24Å; M156-N158 PolarHBondContact O-N 3.36Å; N158-T160 PolarHBondContact O-N 3.44Å
159Q68.6Low76.8Confident55 Ų5572.4 Ų72.426%0.25740%0.402SS..  trans-84.9106-176.1-60.6-167.318.600111.5A136 M156 C157 G161A136-Q159 PolarHBondContact O-NE2 2.59Å; M156-Q159 PolarHBondContact O-N 2.97Å; C157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-G161 PolarHBondContact O-N 2.96Å
160T53.4Low76.4Confident156 Ų15674.4 Ų74.496%0.95741%0.413SS*.SBendtrans-7616.4-167.2-3.40000116.2N158N158-T160 PolarHBondContact O-N 3.44Å
161G52.5Low76Confident73 Ų7375.1 Ų75.175%0.75342%0.418SS*.SBendtrans-169.22.5-170.900000122.3Q159Q159-G161 PolarHBondContact O-N 2.96Å
162Q45.9Very low75.6Confident166 Ų16678.2 Ų78.278%0.77644%0.436SS*.SBendtrans-120.2-18.8-174.7-121.6173.6-19.200116.4
163M49.1Very low75.3Confident140 Ų14076.9 Ų76.969%0.6943%0.432SS*.  trans-138.3121.4165.1-89.1143.7179.400105.9M165M163-M165 HydrophobicContact CB-CG 4.22Å; M163-M165 PolarHBondContact O-N 3.38Å
164S48.3Very low75.1Confident89 Ų8975.6 Ų75.662%0.62243%0.428SS*.  trans-61.992.1157.265.80000104.7N166S164-N166 WeakPolarHBondContact CB-OD1 3.43Å; S164-N166 VanDerWaalsContact O-CG 3.28Å; S164-N166 PolarHBondContact O-N 2.74Å; S164-N166 PolarHBondContact O-OD1 3.49Å; S164-N166 PolarHBondContact OG-ND2 3.44Å; S164-N166 PolarHBondContact OG-OD1 2.89Å
165M60.4Low75Confident41 Ų4174.6 Ų74.620%0.20243%0.428CS..  trans-66.577.8174.1-69.9-163.9175.200105.9M156 M163 C167 C173 F181M156-M165 HydrophobicContact CB-CE 3.71Å; M156-M165 HydrophobicContact CB-SD 4.46Å; M156-M165 WeakPolarHBondContact O-CE 3.35Å; M156-M165 HydrophobicContact SD-CE 4.39Å; M163-M165 HydrophobicContact CB-CG 4.22Å; M163-M165 PolarHBondContact O-N 3.38Å; M165-C167 PolarHBondContact O-N 3.11Å; M165-C173 PolarHBondContact SD-SG 3.34Å; M165-F181 HydrophobicContact CB-CD2 4.44Å; M165-F181 HydrophobicContact CB-CE2 4Å; M165-F181 HydrophobicContact CB-CZ 4.18Å; M165-F181 HydrophobicContact CE-CB 4.32Å; M165-F181 HydrophobicContact CE-CD1 3.4Å; M165-F181 VanDerWaalsContact CE-CD1 3.4Å; M165-F181 HydrophobicContact CE-CE1 3.78Å; M165-F181 HydrophobicContact CE-CG 3.89Å; M165-F181 HydrophobicContact CG-CD1 4.29Å; M165-F181 HydrophobicContact CG-CD2 4.33Å; M165-F181 HydrophobicContact CG-CE1 4Å; M165-F181 HydrophobicContact CG-CE2 4.05Å; M165-F181 HydrophobicContact CG-CG 4.44Å; M165-F181 HydrophobicContact CG-CZ 3.87Å; M165-F181 HydrophobicContact SD-CB 4Å; M165-F181 HydrophobicContact SD-CD1 3.61Å; M165-F181 HydrophobicContact SD-CD2 3.77Å; M165-F181 HydrophobicContact SD-CE1 3.95Å; M165-F181 HydrophobicContact SD-CE2 4.11Å; M165-F181 HydrophobicContact SD-CG 3.51Å; M165-F181 VanDerWaalsContact SD-CG 3.51Å; M165-F181 HydrophobicContact SD-CZ 4.19Å
166N70.1Confident75.1Confident130 Ų13075.7 Ų75.770%0.69543%0.429SS*.  trans-80.171.7-173.9-67.9-19.7000106.5S164S164-N166 WeakPolarHBondContact CB-OD1 3.43Å; S164-N166 VanDerWaalsContact O-CG 3.28Å; S164-N166 PolarHBondContact O-N 2.74Å; S164-N166 PolarHBondContact O-OD1 3.49Å; S164-N166 PolarHBondContact OG-ND2 3.44Å; S164-N166 PolarHBondContact OG-OD1 2.89Å
167C83.4Confident75.5Confident26 Ų2675.2 Ų75.218%0.17643%0.427CS..PPolyproline II helixtrans-57.6138.9162.1-72.10000108.1M165 S171 C183M165-C167 PolarHBondContact O-N 3.11Å; C167-S171 VanDerWaalsContact CB-OG 3.29Å; C167-S171 WeakPolarHBondContact CB-OG 3.25Å; C167-C183 WeakPolarHBondContact CA-SG 3.41Å; C167-C183 HydrophobicContact CB-CB 3.68Å; C167-C183 WeakPolarHBondContact CB-SG 3.01Å; C167-C183 VanDerWaalsContact SG-CA 3.59Å; C167-C183 WeakPolarHBondContact SG-CB 3.19Å; C167-C183 CovalentContact SG-SG 2.05Å; C167-C183 PolarHBondContact SG-SG 2.94Å
168P85.7Confident75.9Confident53 Ų5373.5 Ų73.534%0.34442%0.415SS..PPolyproline II helixtrans-56.9164.9178.521.5-30.8000111.5N170 S171P168-N170 PolarHBondContact O-N 2.88Å; P168-S171 WeakPolarHBondContact CD-OG 3.34Å; P168-S171 VanDerWaalsContact CG-OG 3.31Å; P168-S171 WeakPolarHBondContact CG-OG 3.36Å; P168-S171 VanDerWaalsContact N-OG 3.13Å; P168-S171 PolarHBondContact O-N 2.89Å; P168-S171 VanDerWaalsContact O-N 3.16Å; P168-S171 PolarHBondContact O-OG 2.86Å
169E85.2Confident76.2Confident157 Ų15769.1 Ų69.173%0.73440%0.399SS*.THydrogen-bonded Turntrans-54.2141.8175.5-160.5176.1-175.200110.9S171E169-S171 VanDerWaalsContact C-N 3.28Å; E169-S171 PolarHBondContact O-N 3.3Å
170N88.9Confident77.1Confident44 Ų4467.3 Ų67.324%0.23539%0.392CS..THydrogen-bonded Turntrans6231.8-175.7-39.1-64.7000114.2P168 D186 Y189 C194P168-N170 PolarHBondContact O-N 2.88Å; N170-D186 WeakPolarHBondContact O-CB 3.19Å; N170-D186 PolarHBondContact O-N 2.9Å; N170-Y189 HydrophobicContact CB-CD1 3.44Å; N170-Y189 VanDerWaalsContact CB-CD1 3.44Å; N170-Y189 HydrophobicContact CB-CD2 3.73Å; N170-Y189 HydrophobicContact CB-CE1 3.6Å; N170-Y189 HydrophobicContact CB-CE2 3.9Å; N170-Y189 HydrophobicContact CB-CG 3.49Å; N170-Y189 VanDerWaalsContact CB-CG 3.49Å; N170-Y189 VanDerWaalsContact CG-CZ 3.47Å; N170-Y189 VanDerWaalsContact OD1-CZ 3.29Å; N170-Y189 PolarHBondContact OD1-OH 2.84Å; N170-C194 HydrophobicContact CB-CB 4.42Å; N170-C194 VanDerWaalsContact O-CB 3.3Å; N170-C194 WeakPolarHBondContact O-CB 3.19Å
171S89.1Confident78.8Confident16 Ų1663.5 Ų63.511%0.11236%0.362CS..EExtended strand (participates in β ladder)trans-135.7151.3171.269.10000111.7C167 P168 E169 R184C167-S171 VanDerWaalsContact CB-OG 3.29Å; C167-S171 WeakPolarHBondContact CB-OG 3.25Å; P168-S171 WeakPolarHBondContact CD-OG 3.34Å; P168-S171 VanDerWaalsContact CG-OG 3.31Å; P168-S171 WeakPolarHBondContact CG-OG 3.36Å; P168-S171 VanDerWaalsContact N-OG 3.13Å; P168-S171 PolarHBondContact O-N 2.89Å; P168-S171 VanDerWaalsContact O-N 3.16Å; P168-S171 PolarHBondContact O-OG 2.86Å; E169-S171 VanDerWaalsContact C-N 3.28Å; E169-S171 PolarHBondContact O-N 3.3Å; S171-R184 CarbonylContact C-O 3.59Å; S171-R184 WeakPolarHBondContact CA-O 3.44Å; S171-R184 WeakPolarHBondContact CB-O 3.49Å
172L88.6Confident80.5Confident99 Ų9962.7 Ų62.752%0.51834%0.339SS..EExtended strand (participates in β ladder)trans-114.3143.6-178.1-60.2175.7000109.1G174 C183 R184 D186L172-G174 PolarHBondContact O-N 3.18Å; L172-C183 WeakPolarHBondContact O-CA 3.29Å; L172-R184 PolarHBondContact N-O 3.47Å; L172-R184 PolarHBondContact O-N 3.47Å; L172-D186 HydrophobicContact CD1-CB 4.48Å; L172-D186 HydrophobicContact CG-CB 4.26Å
173C88.8Confident82.6Confident43 Ų4357.1 Ų57.129%0.29132%0.318SS..EExtended strand (participates in β ladder)trans-69.9128.8171-176.70000109.7C157 M165C157-C173 VanDerWaalsContact CA-SG 3.51Å; C157-C173 HydrophobicContact CB-CB 3.71Å; C157-C173 WeakPolarHBondContact CB-SG 3.31Å; C157-C173 WeakPolarHBondContact SG-CB 3.03Å; C157-C173 PolarHBondContact SG-O 3.45Å; C157-C173 VanDerWaalsContact SG-O 3.4Å; C157-C173 CovalentContact SG-SG 2.04Å; C157-C173 PolarHBondContact SG-SG 2.95Å; M165-C173 PolarHBondContact SD-SG 3.34Å
174G89.5Confident84.5Confident9 Ų956.7 Ų56.79%0.09331%0.309CS..EExtended strand (participates in β ladder)trans-117.7141.8168.500000110.9C157 L172 F181 E182C157-G174 PolarHBondContact SG-N 2.87Å; C157-G174 VanDerWaalsContact SG-N 3.43Å; L172-G174 PolarHBondContact O-N 3.18Å; G174-F181 WeakPolarHBondContact O-CA 3.41Å; G174-E182 PolarHBondContact N-O 3.4Å; G174-E182 PolarHBondContact O-N 2.98Å
175P89.7Confident86.5Confident44 Ų4454.7 Ų54.729%0.28629%0.294SS..EExtended strand (participates in β ladder)trans-63.1145.4171.528.3-33.9000110.1L118L118-P175 WeakPolarHBondContact CD2-O 3.43Å
176Y91.9Very high87.9Confident80 Ų8055.7 Ų55.731%0.31430%0.3SS..  trans-138.736.8-179.8-160.4-118.2000112.8Q115 G116 S180 E182Q115-Y176 WeakPolarHBondContact CA-O 3.22Å; Q115-Y176 HydrophobicContact CB-CD1 3.99Å; Q115-Y176 HydrophobicContact CB-CE1 3.61Å; Q115-Y176 HydrophobicContact CG-CD1 4.04Å; Q115-Y176 HydrophobicContact CG-CE1 3.99Å; G116-Y176 PolarHBondContact N-O 3.45Å; Y176-S180 PolarHBondContact N-O 3.22Å; Y176-S180 WeakPolarHBondContact O-CB 3.34Å; Y176-E182 HydrophobicContact CD2-CG 4.1Å; Y176-E182 WeakPolarHBondContact CD2-OE1 3.44Å; Y176-E182 HydrophobicContact CG-CB 4.28Å; Y176-E182 HydrophobicContact CG-CG 4.24Å
177G92.1Very high88.6Confident1 Ų157.2 Ų57.21%0.0130%0.303CS..SBendtrans100.2-178.9-177.600000113.8F117 G179 S180F117-G177 WeakPolarHBondContact O-CA 3.01Å; G177-G179 PolarHBondContact O-N 2.88Å; G177-S180 PolarHBondContact O-N 3.47Å; G177-S180 VanDerWaalsContact O-N 3.15Å; G177-S180 VanDerWaalsContact O-O 3.13Å
178P91.6Very high88.7Confident0 Ų061.9 Ų61.90%033%0.326CS..THydrogen-bonded Turntrans-57.8126.6179.7-18.927.6000111.5F114 L120 P132 W138 Q153 S180F114-P178 HydrophobicContact CB-CG 3.99Å; L120-P178 HydrophobicContact CD2-CG 3.94Å; P132-P178 HydrophobicContact CB-CB 4.11Å; W138-P178 HydrophobicContact CH2-CG 4.26Å; W138-P178 HydrophobicContact CZ2-CB 3.86Å; W138-P178 HydrophobicContact CZ2-CG 3.73Å; Q153-P178 VanDerWaalsContact OE1-CG 3.23Å; P178-S180 PolarHBondContact O-N 3.32Å; P178-S180 VanDerWaalsContact O-N 3.1Å; P178-S180 PolarHBondContact O-OG 3.37Å
179G86.8Confident88.9Confident30 Ų3062 Ų6231%0.30932%0.32SS..THydrogen-bonded Turntrans69.93.317800000115.1S137 G177S137-G179 WeakPolarHBondContact OG-CA 3.35Å; S137-G179 PolarHBondContact OG-N 2.47Å; G177-G179 PolarHBondContact O-N 2.88Å
180S88.5Confident89Confident16 Ų1658 Ų5811%0.11230%0.301CS..  trans-126.1144-169.7-63.50000111.8Y176 G177 P178Y176-S180 PolarHBondContact N-O 3.22Å; Y176-S180 WeakPolarHBondContact O-CB 3.34Å; G177-S180 PolarHBondContact O-N 3.47Å; G177-S180 VanDerWaalsContact O-N 3.15Å; G177-S180 VanDerWaalsContact O-O 3.13Å; P178-S180 PolarHBondContact O-N 3.32Å; P178-S180 VanDerWaalsContact O-N 3.1Å; P178-S180 PolarHBondContact O-OG 3.37Å
181F88Confident88.8Confident76 Ų7657.8 Ų57.833%0.33331%0.31SS..EExtended strand (participates in β ladder)trans-139.7160.2173.872.8-82.4000109.3M156 M165 G174M156-F181 HydrophobicContact CB-CB 4.08Å; M165-F181 HydrophobicContact CB-CD2 4.44Å; M165-F181 HydrophobicContact CB-CE2 4Å; M165-F181 HydrophobicContact CB-CZ 4.18Å; M165-F181 HydrophobicContact CE-CB 4.32Å; M165-F181 HydrophobicContact CE-CD1 3.4Å; M165-F181 VanDerWaalsContact CE-CD1 3.4Å; M165-F181 HydrophobicContact CE-CE1 3.78Å; M165-F181 HydrophobicContact CE-CG 3.89Å; M165-F181 HydrophobicContact CG-CD1 4.29Å; M165-F181 HydrophobicContact CG-CD2 4.33Å; M165-F181 HydrophobicContact CG-CE1 4Å; M165-F181 HydrophobicContact CG-CE2 4.05Å; M165-F181 HydrophobicContact CG-CG 4.44Å; M165-F181 HydrophobicContact CG-CZ 3.87Å; M165-F181 HydrophobicContact SD-CB 4Å; M165-F181 HydrophobicContact SD-CD1 3.61Å; M165-F181 HydrophobicContact SD-CD2 3.77Å; M165-F181 HydrophobicContact SD-CE1 3.95Å; M165-F181 HydrophobicContact SD-CE2 4.11Å; M165-F181 HydrophobicContact SD-CG 3.51Å; M165-F181 VanDerWaalsContact SD-CG 3.51Å; M165-F181 HydrophobicContact SD-CZ 4.19Å; G174-F181 WeakPolarHBondContact O-CA 3.41Å
182E89.5Confident88.5Confident56 Ų5665.7 Ų65.726%0.26234%0.339SS..EExtended strand (participates in β ladder)trans-130.9156.5171.965.3177.516100110.5G174 Y176 R184G174-E182 PolarHBondContact N-O 3.4Å; G174-E182 PolarHBondContact O-N 2.98Å; Y176-E182 HydrophobicContact CD2-CG 4.1Å; Y176-E182 WeakPolarHBondContact CD2-OE1 3.44Å; Y176-E182 HydrophobicContact CG-CB 4.28Å; Y176-E182 HydrophobicContact CG-CG 4.24Å; E182-R184 HydrophobicContact CG-CG 4.08Å; E182-R184 IonicContact OE1-CZ 2.68Å; E182-R184 IonicContact OE1-NE 3.6Å; E182-R184 PolarHBondContact OE1-NE 2.89Å; E182-R184 IonicContact OE1-NH2 3.05Å; E182-R184 PolarHBondContact OE1-NH2 3.41Å
183C89.5Confident88.3Confident50 Ų5066.3 Ų66.334%0.33834%0.337SS..EExtended strand (participates in β ladder)trans-102.9111.4174.7-61.30000108.6C167 L172C167-C183 WeakPolarHBondContact CA-SG 3.41Å; C167-C183 HydrophobicContact CB-CB 3.68Å; C167-C183 WeakPolarHBondContact CB-SG 3.01Å; C167-C183 VanDerWaalsContact SG-CA 3.59Å; C167-C183 WeakPolarHBondContact SG-CB 3.19Å; C167-C183 CovalentContact SG-SG 2.05Å; C167-C183 PolarHBondContact SG-SG 2.94Å; L172-C183 WeakPolarHBondContact O-CA 3.29Å
184R89.3Confident88.3Confident131 Ų13164.5 Ų64.549%0.49433%0.325SS..EExtended strand (participates in β ladder)trans-98.6144.7176.9-62.1-175.7179.3-1792109.2S171 L172 E182S171-R184 CarbonylContact C-O 3.59Å; S171-R184 WeakPolarHBondContact CA-O 3.44Å; S171-R184 WeakPolarHBondContact CB-O 3.49Å; L172-R184 PolarHBondContact N-O 3.47Å; L172-R184 PolarHBondContact O-N 3.47Å; E182-R184 HydrophobicContact CG-CG 4.08Å; E182-R184 IonicContact OE1-CZ 2.68Å; E182-R184 IonicContact OE1-NE 3.6Å; E182-R184 PolarHBondContact OE1-NE 2.89Å; E182-R184 IonicContact OE1-NH2 3.05Å; E182-R184 PolarHBondContact OE1-NH2 3.41Å
185C90.3Very high88.2Confident46 Ų4669.9 Ų69.931%0.31135%0.351SS..EExtended strand (participates in β ladder)trans-63.5141.8177-58.70000111.1Y189 C194C185-Y189 WeakPolarHBondContact CB-O 3.33Å; C185-C194 WeakPolarHBondContact CA-SG 3.22Å; C185-C194 HydrophobicContact CB-CB 3.68Å; C185-C194 WeakPolarHBondContact CB-SG 3.49Å; C185-C194 WeakPolarHBondContact SG-CA 3.43Å; C185-C194 WeakPolarHBondContact SG-CB 3.47Å; C185-C194 CovalentContact SG-SG 2.04Å; C185-C194 PolarHBondContact SG-SG 3.3Å
186D89.3Confident88Confident63 Ų6375.6 Ų75.634%0.33737%0.367SS..PPolyproline II helixtrans-64.9164.2171.7-165.811.9000110.2N170 L172 N188 Y189N170-D186 WeakPolarHBondContact O-CB 3.19Å; N170-D186 PolarHBondContact O-N 2.9Å; L172-D186 HydrophobicContact CD1-CB 4.48Å; L172-D186 HydrophobicContact CG-CB 4.26Å; D186-N188 PolarHBondContact O-N 3.34Å; D186-Y189 HydrophobicContact CB-CD2 4.21Å; D186-Y189 PolarHBondContact O-N 3Å
187E85.8Confident87.6Confident161 Ų16177.8 Ų77.875%0.75238%0.38SS*.THydrogen-bonded Turntrans-53.4131.6-178.8-67.8-171.5174.700111Y189E187-Y189 VanDerWaalsContact C-N 3.27Å; E187-Y189 WeakPolarHBondContact O-CD2 3.44Å; E187-Y189 PolarHBondContact O-N 2.78Å
188N85.4Confident86.7Confident125 Ų12581.2 Ų81.267%0.66841%0.408SS*.THydrogen-bonded Turntrans74.7-1.6-176.6-45.8-72000116.6D186D186-N188 PolarHBondContact O-N 3.34Å
189Y88.7Confident86Confident54 Ų5489.9 Ų89.921%0.21245%0.448CS..EExtended strand (participates in β ladder)trans-101.6145.6172.9-66.4-92.4000111.5N170 C185 D186 E187 C194 R196 Q197N170-Y189 HydrophobicContact CB-CD1 3.44Å; N170-Y189 VanDerWaalsContact CB-CD1 3.44Å; N170-Y189 HydrophobicContact CB-CD2 3.73Å; N170-Y189 HydrophobicContact CB-CE1 3.6Å; N170-Y189 HydrophobicContact CB-CE2 3.9Å; N170-Y189 HydrophobicContact CB-CG 3.49Å; N170-Y189 VanDerWaalsContact CB-CG 3.49Å; N170-Y189 VanDerWaalsContact CG-CZ 3.47Å; N170-Y189 VanDerWaalsContact OD1-CZ 3.29Å; N170-Y189 PolarHBondContact OD1-OH 2.84Å; C185-Y189 WeakPolarHBondContact CB-O 3.33Å; D186-Y189 HydrophobicContact CB-CD2 4.21Å; D186-Y189 PolarHBondContact O-N 3Å; E187-Y189 VanDerWaalsContact C-N 3.27Å; E187-Y189 WeakPolarHBondContact O-CD2 3.44Å; E187-Y189 PolarHBondContact O-N 2.78Å; Y189-C194 VanDerWaalsContact CD1-O 3.25Å; Y189-C194 WeakPolarHBondContact CD1-O 3.26Å; Y189-R196 CarbonylContact C-O 3.59Å; Y189-R196 VanDerWaalsContact CA-O 3.31Å; Y189-R196 WeakPolarHBondContact CA-O 3.17Å; Y189-Q197 HydrophobicContact CD1-CB 4.28Å; Y189-Q197 HydrophobicContact CE1-CB 4.1Å; Y189-Q197 HydrophobicContact CE1-CG 4.23Å
190H87.6Confident85.5Confident73 Ų7393.7 Ų93.734%0.33846%0.457SS..EExtended strand (participates in β ladder)trans-157.7176.9179.558.9-75.1000111.8R196 A198H190-R196 PolarHBondContact N-O 3.24Å; H190-R196 PolarHBondContact ND1-O 3.14Å; H190-R196 WeakPolarHBondContact O-CB 3.33Å; H190-R196 PolarHBondContact O-N 3.16Å; H190-A198 PolarHBondContact CE1-O 2.92Å
191G84.3Confident85.2Confident41 Ų4196 Ų9642%0.42347%0.471SS..SBendtrans79.6-173.3179.800000113.4K193 C194G191-K193 PolarHBondContact O-N 3.47Å; G191-C194 PolarHBondContact O-N 3Å; G191-C194 VanDerWaalsContact O-N 3.12Å
192Y83.3Confident85.1Confident181 Ų18196.2 Ų96.271%0.7148%0.479SS*.G310 helixtrans-59.8124.2-178-177.9-107.4000111C194Y192-C194 PolarHBondContact O-N 3.43Å
193K84.4Confident85Confident113 Ų113100.8 Ų100.849%0.49150%0.504SS..G310 helixtrans56.622.8-177.2-62177.4173.6175.20114.8G191 L195G191-K193 PolarHBondContact O-N 3.47Å; K193-L195 HydrophobicContact CB-CD1 4.27Å; K193-L195 HydrophobicContact CB-CG 4.04Å; K193-L195 PolarHBondContact O-N 3.08Å; K193-L195 VanDerWaalsContact O-N 3.14Å
194C88.9Confident84.9Confident5 Ų5106.6 Ų106.63%0.03452%0.524CS..G310 helixtrans58.729.9175.1-48.40000114.1N170 C185 Y189 G191 Y192N170-C194 HydrophobicContact CB-CB 4.42Å; N170-C194 VanDerWaalsContact O-CB 3.3Å; N170-C194 WeakPolarHBondContact O-CB 3.19Å; C185-C194 WeakPolarHBondContact CA-SG 3.22Å; C185-C194 HydrophobicContact CB-CB 3.68Å; C185-C194 WeakPolarHBondContact CB-SG 3.49Å; C185-C194 WeakPolarHBondContact SG-CA 3.43Å; C185-C194 WeakPolarHBondContact SG-CB 3.47Å; C185-C194 CovalentContact SG-SG 2.04Å; C185-C194 PolarHBondContact SG-SG 3.3Å; Y189-C194 VanDerWaalsContact CD1-O 3.25Å; Y189-C194 WeakPolarHBondContact CD1-O 3.26Å; G191-C194 PolarHBondContact O-N 3Å; G191-C194 VanDerWaalsContact O-N 3.12Å; Y192-C194 PolarHBondContact O-N 3.43Å
195L88.1Confident84.9Confident122 Ų122103.2 Ų103.264%0.63952%0.518SS*.  trans-85.3-7.8-176.6-61.9177.7000113.7K193K193-L195 HydrophobicContact CB-CD1 4.27Å; K193-L195 HydrophobicContact CB-CG 4.04Å; K193-L195 PolarHBondContact O-N 3.08Å; K193-L195 VanDerWaalsContact O-N 3.14Å
196R85.8Confident85Confident163 Ų163106.5 Ų106.562%0.61553%0.527SS*.EExtended strand (participates in β ladder)trans-102.3131.1-179-58.2-176.6178.91750.4109.9Y189 H190Y189-R196 CarbonylContact C-O 3.59Å; Y189-R196 VanDerWaalsContact CA-O 3.31Å; Y189-R196 WeakPolarHBondContact CA-O 3.17Å; H190-R196 PolarHBondContact N-O 3.24Å; H190-R196 PolarHBondContact ND1-O 3.14Å; H190-R196 WeakPolarHBondContact O-CB 3.33Å; H190-R196 PolarHBondContact O-N 3.16Å
197Q83.3Confident85.3Confident127 Ų127105 Ų10559%0.59353%0.526SS*.EExtended strand (participates in β ladder)trans-119144.5174.1-166.81789.600108.1Y189Y189-Q197 HydrophobicContact CD1-CB 4.28Å; Y189-Q197 HydrophobicContact CE1-CB 4.1Å; Y189-Q197 HydrophobicContact CE1-CG 4.23Å
198A73.3Confident85.8Confident72 Ų72101.2 Ų101.260%0.59552%0.515SS*.SBendtrans72.3154.1-176.900000116.1H190H190-A198 PolarHBondContact CE1-O 2.92Å
199E75.7Confident86.2Confident182 Ų18299.8 Ų99.885%0.8551%0.507SS*.  trans-63148.9-175.8-62.8-176.5168.600112.8
200F77.2Confident86.5Confident111 Ų111100 Ų10049%0.48752%0.52SS..  trans-57.4126.5172.4-177.8-97.1000109.5V202 V205 F206F200-V202 HydrophobicContact CD1-CG2 3.96Å; F200-V202 WeakPolarHBondContact O-CG2 3.43Å; F200-V202 PolarHBondContact O-N 3.44Å; F200-V205 HydrophobicContact CE1-CB 4.07Å; F200-V205 HydrophobicContact CE1-CG1 4.44Å; F200-V205 HydrophobicContact CE1-CG2 4.12Å; F200-V205 HydrophobicContact CE2-CG2 4.48Å; F200-V205 HydrophobicContact CZ-CB 3.99Å; F200-V205 HydrophobicContact CZ-CG1 4.07Å; F200-V205 HydrophobicContact CZ-CG2 3.75Å; F200-F206 HydrophobicContact CD1-CE2 4.43Å; F200-F206 HydrophobicContact CE1-CD2 4.13Å; F200-F206 AromaticContact CE1-CE2 3.65Å; F200-F206 HydrophobicContact CE1-CE2 3.65Å; F200-F206 HydrophobicContact CZ-CE2 4.48Å
201P82.1Confident86.9Confident63 Ų6399.1 Ų99.141%0.40953%0.526SS..  trans-77.473-173.932.1-36.4000111L203 K204 V205P201-L203 VanDerWaalsContact C-N 3.28Å; P201-L203 PolarHBondContact O-N 3.37Å; P201-K204 HydrophobicContact CB-CB 4.15Å; P201-K204 HydrophobicContact CB-CD 4.05Å; P201-K204 HydrophobicContact CB-CG 4.21Å; P201-K204 PolarHBondContact O-N 2.83Å; P201-V205 PolarHBondContact O-N 2.92Å
202V85.8Confident87.4Confident82 Ų8299.6 Ų99.650%0.49752%0.522SS..Hα-helixtrans-48.3-49.2-173.6175.60000111.1F200 K204 V205 F206F200-V202 HydrophobicContact CD1-CG2 3.96Å; F200-V202 WeakPolarHBondContact O-CG2 3.43Å; F200-V202 PolarHBondContact O-N 3.44Å; V202-K204 PolarHBondContact O-N 3.37Å; V202-V205 PolarHBondContact O-N 2.8Å; V202-F206 HydrophobicContact CB-CD2 4.42Å; V202-F206 HydrophobicContact CG1-CD2 3.79Å; V202-F206 WeakPolarHBondContact O-CB 3.35Å; V202-F206 WeakPolarHBondContact O-CD2 3.22Å; V202-F206 PolarHBondContact O-N 2.9Å
203L88.1Confident88Confident151 Ų15195 Ų9579%0.79151%0.513SS*.Hα-helixtrans-65.3-35.5-177.5-69.6172.2000113.4P201 V205 G207P201-L203 VanDerWaalsContact C-N 3.28Å; P201-L203 PolarHBondContact O-N 3.37Å; L203-V205 VanDerWaalsContact C-N 3.35Å; L203-G207 VanDerWaalsContact O-CA 3.26Å; L203-G207 WeakPolarHBondContact O-CA 3.24Å; L203-G207 PolarHBondContact O-N 3.49Å
204K86.7Confident88.6Confident172 Ų17294.4 Ų94.475%0.74852%0.519SS*.Hα-helixtrans-71.2-33.8-179.5-64.9-175.3-177.9173.20111.6P201 V202 P208P201-K204 HydrophobicContact CB-CB 4.15Å; P201-K204 HydrophobicContact CB-CD 4.05Å; P201-K204 HydrophobicContact CB-CG 4.21Å; P201-K204 PolarHBondContact O-N 2.83Å; V202-K204 PolarHBondContact O-N 3.37Å; K204-P208 VanDerWaalsContact O-CD 3.22Å; K204-P208 WeakPolarHBondContact O-CD 3.35Å; K204-P208 WeakPolarHBondContact O-CG 3.49Å
205V88.9Confident88.9Confident61 Ų6198.3 Ų98.337%0.3754%0.542SS..Hα-helixtrans-89.4-53.2-178.6179.80000111.4F200 P201 V202 L203 L209F200-V205 HydrophobicContact CE1-CB 4.07Å; F200-V205 HydrophobicContact CE1-CG1 4.44Å; F200-V205 HydrophobicContact CE1-CG2 4.12Å; F200-V205 HydrophobicContact CE2-CG2 4.48Å; F200-V205 HydrophobicContact CZ-CB 3.99Å; F200-V205 HydrophobicContact CZ-CG1 4.07Å; F200-V205 HydrophobicContact CZ-CG2 3.75Å; P201-V205 PolarHBondContact O-N 2.92Å; V202-V205 PolarHBondContact O-N 2.8Å; L203-V205 VanDerWaalsContact C-N 3.35Å; V205-L209 HydrophobicContact CG1-CD1 4.38Å; V205-L209 WeakPolarHBondContact O-CD1 3.5Å
206F93.2Very high89.2Confident114 Ų11497.1 Ų97.150%0.554%0.536SS..Hα-helixtrans-81.8-22.8-175.2-68.4-75000113.6F200 V202 L209 A210F200-F206 HydrophobicContact CD1-CE2 4.43Å; F200-F206 HydrophobicContact CE1-CD2 4.13Å; F200-F206 AromaticContact CE1-CE2 3.65Å; F200-F206 HydrophobicContact CE1-CE2 3.65Å; F200-F206 HydrophobicContact CZ-CE2 4.48Å; V202-F206 HydrophobicContact CB-CD2 4.42Å; V202-F206 HydrophobicContact CG1-CD2 3.79Å; V202-F206 WeakPolarHBondContact O-CB 3.35Å; V202-F206 WeakPolarHBondContact O-CD2 3.22Å; V202-F206 PolarHBondContact O-N 2.9Å; F206-L209 HydrophobicContact CD1-CD1 4.27Å; F206-L209 PolarHBondContact O-N 3.36Å; F206-A210 VanDerWaalsContact O-CB 3.29Å; F206-A210 WeakPolarHBondContact O-CB 3.49Å; F206-A210 PolarHBondContact O-N 3.31Å
207G95.3Very high89.5Confident31 Ų3192.4 Ų92.432%0.3253%0.528SS..Hα-helixtrans-58.1-54.7176.700000112.7L203 L209 A210 A211L203-G207 VanDerWaalsContact O-CA 3.26Å; L203-G207 WeakPolarHBondContact O-CA 3.24Å; L203-G207 PolarHBondContact O-N 3.49Å; G207-L209 VanDerWaalsContact C-N 3.35Å; G207-L209 PolarHBondContact O-N 3.27Å; G207-A210 PolarHBondContact O-N 3.42Å; G207-A211 WeakPolarHBondContact O-CB 3.34Å; G207-A211 PolarHBondContact O-N 3.04Å
208P96.2Very high89.9Confident82 Ų8292.4 Ų92.453%0.53253%0.526SS..Hα-helixtrans-61.4-38.7175.7-25.335000113.6K204 A211 S212K204-P208 VanDerWaalsContact O-CD 3.22Å; K204-P208 WeakPolarHBondContact O-CD 3.35Å; K204-P208 WeakPolarHBondContact O-CG 3.49Å; P208-A211 PolarHBondContact O-N 3.27Å; P208-S212 WeakPolarHBondContact O-CB 3.4Å; P208-S212 PolarHBondContact O-N 3.44Å; P208-S212 PolarHBondContact O-OG 3.49Å
209L94.1Very high90.7Very high95 Ų9593.3 Ų93.350%0.49752%0.521SS..Hα-helixtrans-63.6-45.3176.7-78165.1000111.9V205 F206 G207 S212 T213V205-L209 HydrophobicContact CG1-CD1 4.38Å; V205-L209 WeakPolarHBondContact O-CD1 3.5Å; F206-L209 HydrophobicContact CD1-CD1 4.27Å; F206-L209 PolarHBondContact O-N 3.36Å; G207-L209 VanDerWaalsContact C-N 3.35Å; G207-L209 PolarHBondContact O-N 3.27Å; L209-S212 WeakPolarHBondContact CA-OG 3.29Å; L209-S212 PolarHBondContact O-OG 3.27Å; L209-T213 WeakPolarHBondContact O-CB 3.24Å; L209-T213 PolarHBondContact O-N 3.03Å; L209-T213 PolarHBondContact O-OG1 2.95Å
210A95.1Very high91.4Very high58 Ų5888.1 Ų88.148%0.47950%0.498SS..Hα-helixtrans-65.7-45.9176.600000111.3F206 G207 S212 T213 V214F206-A210 VanDerWaalsContact O-CB 3.29Å; F206-A210 WeakPolarHBondContact O-CB 3.49Å; F206-A210 PolarHBondContact O-N 3.31Å; G207-A210 PolarHBondContact O-N 3.42Å; A210-S212 PolarHBondContact O-N 2.96Å; A210-T213 PolarHBondContact O-N 3.49Å; A210-V214 WeakPolarHBondContact O-CG2 3.38Å; A210-V214 PolarHBondContact O-N 3.37Å
211A95.8Very high91.7Very high56 Ų5689 Ų8946%0.46350%0.498SS..Hα-helixtrans-60.8-47.4179.100000111.9G207 P208 T213 V214 V215G207-A211 WeakPolarHBondContact O-CB 3.34Å; G207-A211 PolarHBondContact O-N 3.04Å; P208-A211 PolarHBondContact O-N 3.27Å; A211-T213 VanDerWaalsContact C-N 3.33Å; A211-T213 PolarHBondContact O-N 3.44Å; A211-V214 PolarHBondContact O-N 2.95Å; A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.37Å; A211-V215 PolarHBondContact O-N 3.46Å
212S95.3Very high91.8Very high50 Ų5088.9 Ų88.935%0.3549%0.494SS..Hα-helixtrans-62.3-40.517753.90000111.9P208 L209 A210 V214 V215 I216P208-S212 WeakPolarHBondContact O-CB 3.4Å; P208-S212 PolarHBondContact O-N 3.44Å; P208-S212 PolarHBondContact O-OG 3.49Å; L209-S212 WeakPolarHBondContact CA-OG 3.29Å; L209-S212 PolarHBondContact O-OG 3.27Å; A210-S212 PolarHBondContact O-N 2.96Å; S212-V214 PolarHBondContact O-N 3.26Å; S212-V215 PolarHBondContact O-N 2.89Å; S212-I216 WeakPolarHBondContact O-CB 3.3Å; S212-I216 VanDerWaalsContact O-CG1 3.24Å; S212-I216 WeakPolarHBondContact O-CG1 3.36Å; S212-I216 PolarHBondContact O-N 3.49Å
213T95.6Very high91.7Very high84 Ų8488.7 Ų88.752%0.51549%0.493SS..Hα-helixtrans-61.2-43.7175.8-57.90000111.7L209 A210 A211 S217L209-T213 WeakPolarHBondContact O-CB 3.24Å; L209-T213 PolarHBondContact O-N 3.03Å; L209-T213 PolarHBondContact O-OG1 2.95Å; A210-T213 PolarHBondContact O-N 3.49Å; A211-T213 VanDerWaalsContact C-N 3.33Å; A211-T213 PolarHBondContact O-N 3.44Å; T213-S217 WeakPolarHBondContact O-CB 3.46Å; T213-S217 PolarHBondContact O-N 3.37Å; T213-S217 PolarHBondContact O-OG 2.72Å
214V95.7Very high91.1Very high102 Ų10287.8 Ų87.862%0.61849%0.485SS*.Hα-helixtrans-64.3-46177.4170.30000110.8A210 A211 S212 S217 F218A210-V214 WeakPolarHBondContact O-CG2 3.38Å; A210-V214 PolarHBondContact O-N 3.37Å; A211-V214 PolarHBondContact O-N 2.95Å; S212-V214 PolarHBondContact O-N 3.26Å; V214-S217 PolarHBondContact O-N 2.88Å; V214-F218 WeakPolarHBondContact O-CB 3.42Å; V214-F218 PolarHBondContact O-N 2.9Å
215V95.9Very high90.1Very high86 Ų8687.2 Ų87.252%0.52148%0.478SS..Hα-helixtrans-62.2-48.7179.6171.40000111A211 S212 S217 F218 L219A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.37Å; A211-V215 PolarHBondContact O-N 3.46Å; S212-V215 PolarHBondContact O-N 2.89Å; V215-S217 PolarHBondContact O-N 2.87Å; V215-F218 PolarHBondContact O-N 3.33Å; V215-L219 HydrophobicContact CG1-CD1 4.05Å; V215-L219 HydrophobicContact CG1-CG 4.47Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 3.33Å
216I94.1Very high88.8Confident97 Ų9793 Ų9350%0.49749%0.493SS..Hα-helixtrans-61.5-46.1177.6-68.2167000110.2S212 F218 L219 L220S212-I216 WeakPolarHBondContact O-CB 3.3Å; S212-I216 VanDerWaalsContact O-CG1 3.24Å; S212-I216 WeakPolarHBondContact O-CG1 3.36Å; S212-I216 PolarHBondContact O-N 3.49Å; I216-F218 VanDerWaalsContact C-N 3.28Å; I216-F218 PolarHBondContact O-N 2.69Å; I216-L219 PolarHBondContact O-N 2.9Å; I216-L220 HydrophobicContact CG2-CD1 3.76Å; I216-L220 HydrophobicContact CG2-CG 4.16Å; I216-L220 WeakPolarHBondContact O-CB 3.22Å; I216-L220 VanDerWaalsContact O-CG 3.27Å; I216-L220 WeakPolarHBondContact O-CG 3.34Å; I216-L220 PolarHBondContact O-N 2.84Å
217S91.8Very high87.1Confident65 Ų6596.1 Ų96.146%0.45551%0.506SS..Hα-helixtrans-58.7-40.9177.5-60.70000112T213 V214 V215 W221T213-S217 WeakPolarHBondContact O-CB 3.46Å; T213-S217 PolarHBondContact O-N 3.37Å; T213-S217 PolarHBondContact O-OG 2.72Å; V214-S217 PolarHBondContact O-N 2.88Å; V215-S217 PolarHBondContact O-N 2.87Å; S217-W221 WeakPolarHBondContact O-CB 3.43Å; S217-W221 PolarHBondContact O-N 2.7Å
218F92.3Very high85.5Confident127 Ų12798.1 Ų98.156%0.55752%0.519SS*.Hα-helixtrans-67.2-43.2176.7-175.9-105000112.1V214 V215 I216 W221 I222V214-F218 WeakPolarHBondContact O-CB 3.42Å; V214-F218 PolarHBondContact O-N 2.9Å; V215-F218 PolarHBondContact O-N 3.33Å; I216-F218 VanDerWaalsContact C-N 3.28Å; I216-F218 PolarHBondContact O-N 2.69Å; F218-W221 WeakPolarHBondContact O-CB 3.45Å; F218-W221 PolarHBondContact O-N 2.89Å; F218-I222 HydrophobicContact CD1-CD1 3.77Å; F218-I222 HydrophobicContact CE1-CD1 3.23Å; F218-I222 HydrophobicContact CE1-CG1 4.34Å; F218-I222 HydrophobicContact CE2-CD1 4.21Å; F218-I222 HydrophobicContact CG-CD1 4.46Å; F218-I222 HydrophobicContact CZ-CD1 3.49Å; F218-I222 VanDerWaalsContact CZ-CD1 3.49Å; F218-I222 HydrophobicContact CZ-CG1 4.38Å; F218-I222 WeakPolarHBondContact O-CG1 3.44Å; F218-I222 PolarHBondContact O-N 3.27Å
219L90.4Very high83.9Confident91 Ų91103.8 Ų103.848%0.47654%0.536SS..Hα-helixtrans-62.5-45.2175.5-72.5173.2000111.6V215 I216 W221 I222 T223V215-L219 HydrophobicContact CG1-CD1 4.05Å; V215-L219 HydrophobicContact CG1-CG 4.47Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 3.33Å; I216-L219 PolarHBondContact O-N 2.9Å; L219-W221 VanDerWaalsContact C-N 3.32Å; L219-W221 PolarHBondContact O-N 3.2Å; L219-I222 PolarHBondContact O-N 3.49Å; L219-T223 WeakPolarHBondContact O-CB 3.37Å; L219-T223 WeakPolarHBondContact O-CG2 3.36Å; L219-T223 PolarHBondContact O-N 3.48Å; L219-T223 PolarHBondContact O-OG1 2.97Å
220L89.1Confident82.4Confident73 Ų73104.9 Ų104.938%0.38255%0.551SS.*Hα-helixtrans-62.5-39.7175.1-68.1173.7000111.2I216 I222 Q224 R225I216-L220 HydrophobicContact CG2-CD1 3.76Å; I216-L220 HydrophobicContact CG2-CG 4.16Å; I216-L220 WeakPolarHBondContact O-CB 3.22Å; I216-L220 VanDerWaalsContact O-CG 3.27Å; I216-L220 WeakPolarHBondContact O-CG 3.34Å; I216-L220 PolarHBondContact O-N 2.84Å; L220-I222 PolarHBondContact O-N 3.28Å; L220-Q224 HydrophobicContact CD2-CG 4.27Å; L220-Q224 WeakPolarHBondContact O-CA 3.38Å; L220-Q224 VanDerWaalsContact O-CB 3.27Å; L220-Q224 WeakPolarHBondContact O-CB 3.27Å; L220-Q224 PolarHBondContact O-N 3.27Å; L220-R225 PolarHBondContact O-N 3.37Å
221W84.4Confident80.4Confident128 Ų128113.7 Ų113.749%0.48559%0.589SS.*Hα-helixtrans-59.6-47.6173.9-176.5-72.7000112.1S217 F218 L219 R225 R226S217-W221 WeakPolarHBondContact O-CB 3.43Å; S217-W221 PolarHBondContact O-N 2.7Å; F218-W221 WeakPolarHBondContact O-CB 3.45Å; F218-W221 PolarHBondContact O-N 2.89Å; L219-W221 VanDerWaalsContact C-N 3.32Å; L219-W221 PolarHBondContact O-N 3.2Å; W221-R225 VanDerWaalsContact O-CB 3.3Å; W221-R225 WeakPolarHBondContact O-CB 3.3Å; W221-R225 PolarHBondContact O-N 3.25Å; W221-R226 PolarHBondContact O-N 2.84Å
222I84.2Confident79.6Confident62 Ų62116.6 Ų116.632%0.31860%0.595SS.*Hα-helixtrans-66.8-45.8-179.2-71.1175.7000111.2F218 L219 L220 R226F218-I222 HydrophobicContact CD1-CD1 3.77Å; F218-I222 HydrophobicContact CE1-CD1 3.23Å; F218-I222 HydrophobicContact CE1-CG1 4.34Å; F218-I222 HydrophobicContact CE2-CD1 4.21Å; F218-I222 HydrophobicContact CG-CD1 4.46Å; F218-I222 HydrophobicContact CZ-CD1 3.49Å; F218-I222 VanDerWaalsContact CZ-CD1 3.49Å; F218-I222 HydrophobicContact CZ-CG1 4.38Å; F218-I222 WeakPolarHBondContact O-CG1 3.44Å; F218-I222 PolarHBondContact O-N 3.27Å; L219-I222 PolarHBondContact O-N 3.49Å; L220-I222 PolarHBondContact O-N 3.28Å; I222-R226 WeakPolarHBondContact O-CB 3.27Å
223T82.9Confident78.8Confident78 Ų78120.1 Ų120.148%0.47961%0.608SS.*Hα-helixtrans-84.7-41.8-169.856.10000113L219L219-T223 WeakPolarHBondContact O-CB 3.37Å; L219-T223 WeakPolarHBondContact O-CG2 3.36Å; L219-T223 PolarHBondContact O-N 3.48Å; L219-T223 PolarHBondContact O-OG1 2.97Å
224Q76.9Confident77.9Confident131 Ų131122.1 Ų122.161%0.61261%0.614SS**THydrogen-bonded Turntrans-96.9-45.8-174.7-58-174.7-12.400112.1L220 A228L220-Q224 HydrophobicContact CD2-CG 4.27Å; L220-Q224 WeakPolarHBondContact O-CA 3.38Å; L220-Q224 VanDerWaalsContact O-CB 3.27Å; L220-Q224 WeakPolarHBondContact O-CB 3.27Å; L220-Q224 PolarHBondContact O-N 3.27Å; Q224-A228 PolarHBondContact O-N 3.34Å
225R64.3Low76.8Confident161 Ų161123.2 Ų123.261%0.60861%0.613SS**G310 helixtrans-77.2-35.7-173-160.6178.7179.5159.42.4113.6L220 W221 K227 A228L220-R225 PolarHBondContact O-N 3.37Å; W221-R225 VanDerWaalsContact O-CB 3.3Å; W221-R225 WeakPolarHBondContact O-CB 3.3Å; W221-R225 PolarHBondContact O-N 3.25Å; R225-K227 PolarHBondContact O-N 3.34Å; R225-A228 PolarHBondContact O-N 3.34Å
226R61.2Low75.6Confident183 Ų183125.6 Ų125.669%0.69162%0.619SS**G310 helixtrans-71-15.2176.4-65.8-170.8178.1-163.20.7114.1W221 I222W221-R226 PolarHBondContact O-N 2.84Å; I222-R226 WeakPolarHBondContact O-CB 3.27Å
227K59.4Low74.4Confident179 Ų179127.5 Ų127.578%0.77863%0.627SS**G310 helixtrans-99.1-3.7177-67-159.8178-171.20113.8R225 K229R225-K227 PolarHBondContact O-N 3.34Å; K227-K229 PolarHBondContact O-N 3.43Å
228A61.6Low73.1Confident72 Ų72131.9 Ų131.960%0.59564%0.639SS**SBendtrans-70.3115.3167.600000108.5Q224 R225 S230Q224-A228 PolarHBondContact O-N 3.34Å; R225-A228 PolarHBondContact O-N 3.34Å; A228-S230 PolarHBondContact O-N 3.49Å
229K61.7Low71.7Confident201 Ų201132.3 Ų132.387%0.87465%0.646SS**  trans-59.5133.2169.3-75.8-178.1175.9-179.40108.2K227 L231K227-K229 PolarHBondContact O-N 3.43Å; K229-L231 PolarHBondContact O-N 3.28Å
230S63.1Low70.1Confident118 Ų118135.8 Ų135.883%0.82566%0.66SS**  trans-63.1128.1164.963.10000107.6A228A228-S230 PolarHBondContact O-N 3.49Å
231L52.7Low68.4Low243 Ų243141.5 Ų141.5100%1.27269%0.685SS**  trans-72.40169.7-151.5131.3000109.4K229K229-L231 PolarHBondContact O-N 3.28Å

Retrieved 231 of 231 residues in 166.4 ms (Link to these results)