G4VC52_SCHMA Loading...

Putative potassium channel beta

AlphaFold DB , UniProt , Accession G4VC52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 341 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
1M42Very low68.1Low225 Ų225114.7 Ų114.7100%1.10857%0.569SS**  0113.90-106.1170159.700107.6S3M1-S3 PolarHBondContact O-N 3.34Å
2Q41.6Very low70.1Confident201 Ų201120.3 Ų120.394%0.93959%0.587SS**  trans-57.3129.7170.8-83.6176.9-16.400108.4F4Q2-F4 PolarHBondContact O-N 3.34Å
3S51.2Low72.2Confident86 Ų86111.9 Ų111.960%0.60155%0.546SS*.  trans-74.2114.6-173.290.80000109.2M1 D5 K276M1-S3 PolarHBondContact O-N 3.34Å; S3-D5 PolarHBondContact O-N 3.11Å; S3-K276 VanDerWaalsContact CB-NZ 3.31Å; S3-K276 PolarHBondContact OG-NZ 3.23Å; S3-K276 VanDerWaalsContact OG-NZ 3.11Å
4F62.6Low74Confident48 Ų48107.8 Ų107.821%0.21153%0.527CS..  trans-71.7115.5177.9-179.8-115.7000109.6Q2 H6 K276 L314 I315 H318Q2-F4 PolarHBondContact O-N 3.34Å; F4-H6 HydrophobicContact CD1-CB 4.22Å; F4-H6 HydrophobicContact CE1-CB 3.52Å; F4-H6 HydrophobicContact CE2-CB 4.34Å; F4-H6 HydrophobicContact CZ-CB 3.58Å; F4-K276 VanDerWaalsContact O-CD 3.23Å; F4-K276 WeakPolarHBondContact O-CD 3.23Å; F4-L314 HydrophobicContact CZ-CB 4.15Å; F4-L314 WeakPolarHBondContact CZ-O 3.23Å; F4-I315 HydrophobicContact CE1-CD1 3.8Å; F4-H318 AromaticContact CD1-CD2 3.85Å; F4-H318 AromaticContact CD2-CE1 3.82Å; F4-H318 AromaticContact CD2-NE2 3.47Å; F4-H318 WeakPolarHBondContact CD2-NE2 3.48Å; F4-H318 AromaticContact CE1-CD2 3.44Å; F4-H318 VanDerWaalsContact CE1-CD2 3.44Å; F4-H318 WeakPolarHBondContact CE1-CD2 3.09Å; F4-H318 AromaticContact CE1-NE2 3.75Å; F4-H318 AromaticContact CE2-CD2 3.73Å; F4-H318 AromaticContact CE2-CE1 3.87Å; F4-H318 AromaticContact CE2-NE2 3.09Å; F4-H318 WeakPolarHBondContact CE2-NE2 3.3Å; F4-H318 AromaticContact CG-NE2 3.97Å; F4-H318 AromaticContact CZ-CD2 3.38Å; F4-H318 WeakPolarHBondContact CZ-CD2 3.47Å; F4-H318 AromaticContact CZ-NE2 3.23Å; F4-H318 WeakPolarHBondContact CZ-NE2 3.36Å
5D70.3Confident75.6Confident98 Ų98106.3 Ų106.352%0.52451%0.514SS..  trans-114.699.3170.9-177.62.5000108.7S3 Q7S3-D5 PolarHBondContact O-N 3.11Å; D5-Q7 PolarHBondContact OD1-N 3.33Å; D5-Q7 VanDerWaalsContact OD1-N 3.15Å
6H78.8Confident76.9Confident5 Ų5102.2 Ų102.22%0.02349%0.492CS..  trans-88.6-3.7-176.467.5-47.5000113.1F4 N8 Q9 K276 Q281 R311 L314 I315F4-H6 HydrophobicContact CD1-CB 4.22Å; F4-H6 HydrophobicContact CE1-CB 3.52Å; F4-H6 HydrophobicContact CE2-CB 4.34Å; F4-H6 HydrophobicContact CZ-CB 3.58Å; H6-N8 VanDerWaalsContact C-N 3.29Å; H6-N8 PolarHBondContact O-N 3.15Å; H6-Q9 PolarHBondContact O-N 2.66Å; H6-K276 PolarHBondContact CE1-O 3.38Å; H6-Q281 PolarHBondContact NE2-OE1 2.98Å; H6-R311 VanDerWaalsContact O-CZ 3.25Å; H6-R311 PolarHBondContact O-NE 3.34Å; H6-R311 PolarHBondContact O-NH2 2.74Å; H6-L314 HydrophobicContact CB-CB 4.29Å; H6-L314 HydrophobicContact CB-CD1 4.03Å; H6-I315 VanDerWaalsContact CD2-CD1 3.41Å; H6-I315 WeakPolarHBondContact CD2-CD1 3.43Å
7Q71.2Confident78.1Confident136 Ų13699.8 Ų99.864%0.63648%0.482SS*.THydrogen-bonded Turntrans-67.6-28.8-170.5-68.7-162.5-10.700113.5D5 R311D5-Q7 PolarHBondContact OD1-N 3.33Å; D5-Q7 VanDerWaalsContact OD1-N 3.15Å; Q7-R311 VanDerWaalsContact C-NH2 3.28Å; Q7-R311 PolarHBondContact O-NH1 3.13Å; Q7-R311 PolarHBondContact O-NH2 3.32Å
8N76Confident79.2Confident150 Ų15094.3 Ų94.380%0.80246%0.455SS*.THydrogen-bonded Turntrans-105.1-1.6179.9-68-37.2000113.9H6H6-N8 VanDerWaalsContact C-N 3.29Å; H6-N8 PolarHBondContact O-N 3.15Å
9Q81Confident80Confident93 Ų9390.6 Ų90.644%0.43545%0.445SS..SBendtrans-73.3134.3-177.3-167.2172.911.600111.6H6 I11 R311 L314H6-Q9 PolarHBondContact O-N 2.66Å; Q9-I11 PolarHBondContact O-N 3.05Å; Q9-R311 PolarHBondContact O-NH2 3.16Å; Q9-L314 HydrophobicContact CB-CD1 3.97Å; Q9-L314 HydrophobicContact CG-CD1 4.4Å
10K84.9Confident80.7Confident195 Ų19590.7 Ų90.785%0.84846%0.455SS*.PPolyproline II helixtrans-66.9125.1173.7-171.9175.9-177.6176.30109.6
11I89Confident81.5Confident25 Ų2587 Ų8713%0.12844%0.437CS..PPolyproline II helixtrans-79.3125.6178.1-53170.9000108.1Q9 I310 R311 L314Q9-I11 PolarHBondContact O-N 3.05Å; I11-I310 HydrophobicContact CD1-CB 4.42Å; I11-I310 HydrophobicContact CD1-CG2 3.63Å; I11-I310 HydrophobicContact CG2-CG2 4.09Å; I11-R311 HydrophobicContact CD1-CB 4.43Å; I11-R311 HydrophobicContact CD1-CG 3.55Å; I11-R311 HydrophobicContact CG1-CG 4.41Å; I11-L314 HydrophobicContact CG1-CD1 4.03Å; I11-L314 HydrophobicContact CG1-CG 4.37Å
12K93.1Very high84.2Confident181 Ų18179.4 Ų79.479%0.78742%0.416SS*.  trans-106.5109.2165.4-176177.4-179.9179.90107.3I14K12-I14 PolarHBondContact O-N 3.29Å
13M97.4Very high86.9Confident12 Ų1271 Ų716%0.05938%0.378CS..  trans-59.3139.1177.4-171.655.362.800110.4Y15 V27 L28 N55 G56 I57 I310 V313M13-Y15 HydrophobicContact CB-CE2 4.33Å; M13-Y15 HydrophobicContact CG-CE1 4.42Å; M13-Y15 HydrophobicContact CG-CE2 4.49Å; M13-V27 HydrophobicContact SD-CG2 3.9Å; M13-L28 HydrophobicContact CE-CB 4.48Å; M13-L28 HydrophobicContact CE-CD1 4.38Å; M13-N55 WeakPolarHBondContact CB-O 3.33Å; M13-G56 WeakPolarHBondContact CG-O 3.45Å; M13-I57 HydrophobicContact CE-CG1 3.8Å; M13-I310 HydrophobicContact CE-CG2 4.14Å; M13-V313 HydrophobicContact CE-CG2 4.33Å; M13-V313 HydrophobicContact SD-CG2 4.16Å
14I96.8Very high89.1Confident54 Ų5473.4 Ų73.428%0.27737%0.373SS..  trans-97.2139.8177.6-56.8175.4000107.4K12 S26 V27 V313 Y316K12-I14 PolarHBondContact O-N 3.29Å; I14-S26 CarbonylContact O-C 3.21Å; I14-S26 WeakPolarHBondContact O-CA 3.38Å; I14-V27 HydrophobicContact CB-CG1 3.91Å; I14-V27 HydrophobicContact CB-CG2 4Å; I14-V27 HydrophobicContact CG2-CG1 3.88Å; I14-V27 WeakPolarHBondContact O-CG1 3.44Å; I14-V27 PolarHBondContact O-N 3Å; I14-V313 HydrophobicContact CD1-CG1 3.93Å; I14-V313 HydrophobicContact CG1-CG1 4.06Å; I14-Y316 HydrophobicContact CD1-CE1 3.71Å; I14-Y316 WeakPolarHBondContact CD1-OH 2.99Å
15Y97.9Very high90.9Very high85 Ų8571.1 Ų71.133%0.33336%0.363SS..EExtended strand (participates in β ladder)trans-116.1137.9175.6-59.3-86.7000109.9M13 R24 V25 G56 N58M13-Y15 HydrophobicContact CB-CE2 4.33Å; M13-Y15 HydrophobicContact CG-CE1 4.42Å; M13-Y15 HydrophobicContact CG-CE2 4.49Å; Y15-R24 PolarHBondContact O-NH2 3.38Å; Y15-V25 CarbonylContact C-O 3.26Å; Y15-V25 WeakPolarHBondContact CA-O 3.23Å; Y15-G56 WeakPolarHBondContact CE1-O 3.46Å; Y15-G56 WeakPolarHBondContact OH-CA 3.5Å; Y15-G56 PolarHBondContact OH-O 2.53Å; Y15-N58 HydrophobicContact CE1-CB 4.34Å
16R97Very high92.2Very high41 Ų4166.4 Ų66.416%0.15534%0.338CS..EExtended strand (participates in β ladder)trans-124.6159.2174.3-65.1-180-174170.22.8109.3R24 V25 V27 L288 C290 S291 I293R16-R24 CarbonylContact O-C 3.6Å; R16-R24 WeakPolarHBondContact O-CA 3.5Å; R16-V25 PolarHBondContact N-O 2.87Å; R16-V25 PolarHBondContact O-N 2.82Å; R16-V27 HydrophobicContact CG-CG1 3.78Å; R16-L288 PolarHBondContact NH2-O 3.06Å; R16-C290 PolarHBondContact NH1-O 2.69Å; R16-C290 VanDerWaalsContact NH1-O 3.16Å; R16-S291 PolarHBondContact NH1-O 3.17Å; R16-I293 PolarHBondContact NH1-O 3.39Å
17N97.7Very high93.1Very high62 Ų6266.2 Ų66.233%0.33234%0.337SS..EExtended strand (participates in β ladder)trans-69.1147.1168.2-72.469.1000109.7G19 T21 L23 S294N17-G19 WeakPolarHBondContact CB-O 3.47Å; N17-G19 PolarHBondContact O-N 2.89Å; N17-G19 VanDerWaalsContact O-N 3.17Å; N17-T21 PolarHBondContact ND2-O 3.35Å; N17-L23 CarbonylContact C-O 3.57Å; N17-L23 WeakPolarHBondContact CA-O 3.48Å; N17-S294 WeakPolarHBondContact O-CB 3.42Å; N17-S294 PolarHBondContact O-OG 3.05Å
18L97.5Very high94.5Very high0 Ų059.7 Ų59.70%031%0.307CS..SBendtrans-7992167.9-172.469.8000108.4S20 T21 L23 V25 I130 V189 M217L18-S20 PolarHBondContact O-N 3.32Å; L18-T21 WeakPolarHBondContact CB-OG1 3.43Å; L18-T21 WeakPolarHBondContact O-CB 3.48Å; L18-T21 WeakPolarHBondContact O-CG2 3.43Å; L18-T21 PolarHBondContact O-N 2.9Å; L18-T21 PolarHBondContact O-OG1 3.33Å; L18-L23 HydrophobicContact CB-CB 4.4Å; L18-L23 HydrophobicContact CD2-CD2 4.08Å; L18-L23 PolarHBondContact N-O 3.02Å; L18-V25 HydrophobicContact CB-CG1 4.3Å; L18-I130 HydrophobicContact CD2-CD1 3.59Å; L18-I130 HydrophobicContact CD2-CG1 4.13Å; L18-V189 HydrophobicContact CD1-CB 3.9Å; L18-V189 HydrophobicContact CD1-CG2 3.69Å; L18-V189 HydrophobicContact CD2-CB 3.96Å; L18-V189 HydrophobicContact CD2-CG1 4.11Å; L18-V189 HydrophobicContact CG-CB 3.99Å; L18-V189 HydrophobicContact CG-CG2 4.35Å; L18-M217 HydrophobicContact CD1-CG 3.85Å; L18-M217 HydrophobicContact CD1-SD 3.83Å
19G94.6Very high95.5Very high25 Ų2552.6 Ų52.626%0.25827%0.269SS..THydrogen-bonded Turntrans58.6-131.4-172.100000112.1N17 T21 G215 S294N17-G19 WeakPolarHBondContact CB-O 3.47Å; N17-G19 PolarHBondContact O-N 2.89Å; N17-G19 VanDerWaalsContact O-N 3.17Å; G19-T21 VanDerWaalsContact C-N 3.34Å; G19-G215 VanDerWaalsContact CA-N 3.32Å; G19-S294 PolarHBondContact N-OG 3.13Å
20S94.2Very high96.4Very high91 Ų9148.2 Ų48.264%0.63625%0.249SC*.THydrogen-bonded Turntrans-82.9-2.6174.747.80000114.8L18 N213L18-S20 PolarHBondContact O-N 3.32Å; S20-N213 PolarHBondContact N-O 3.34Å; S20-N213 PolarHBondContact OG-O 3.13Å
21T97.5Very high97Very high15 Ų1539.1 Ų39.19%0.09221%0.21CC..SBendtrans-72162.4-178.873.50000112.1N17 L18 G19 L23 Y161N17-T21 PolarHBondContact ND2-O 3.35Å; L18-T21 WeakPolarHBondContact CB-OG1 3.43Å; L18-T21 WeakPolarHBondContact O-CB 3.48Å; L18-T21 WeakPolarHBondContact O-CG2 3.43Å; L18-T21 PolarHBondContact O-N 2.9Å; L18-T21 PolarHBondContact O-OG1 3.33Å; G19-T21 VanDerWaalsContact C-N 3.34Å; T21-L23 PolarHBondContact O-N 3.42Å; T21-L23 PolarHBondContact OG1-N 2.97Å; T21-Y161 HydrophobicContact CG2-CD1 3.85Å; T21-Y161 HydrophobicContact CG2-CE1 3.79Å
22G97.7Very high97.5Very high64 Ų6438 Ų3866%0.6620%0.204SC*.SBendtrans-73.5-8.7170.200000114.4R24G22-R24 PolarHBondContact O-N 3Å
23L98.5Very high97.6Very high26 Ų2632.3 Ų32.314%0.13618%0.183CC..  trans-73121.9-175.8-171.565.9000110.6N17 L18 T21 V25 I90 I130 Y161N17-L23 CarbonylContact C-O 3.57Å; N17-L23 WeakPolarHBondContact CA-O 3.48Å; L18-L23 HydrophobicContact CB-CB 4.4Å; L18-L23 HydrophobicContact CD2-CD2 4.08Å; L18-L23 PolarHBondContact N-O 3.02Å; T21-L23 PolarHBondContact O-N 3.42Å; T21-L23 PolarHBondContact OG1-N 2.97Å; L23-V25 HydrophobicContact CD2-CG1 4.45Å; L23-V25 HydrophobicContact CG-CG1 4.46Å; L23-I90 HydrophobicContact CD1-CD1 3.65Å; L23-I90 HydrophobicContact CD1-CG1 4.11Å; L23-I90 HydrophobicContact CD2-CD1 4.09Å; L23-I90 HydrophobicContact CD2-CG2 4.31Å; L23-I90 HydrophobicContact CG-CD1 3.79Å; L23-I130 HydrophobicContact CD2-CD1 3.87Å; L23-I130 HydrophobicContact CD2-CG1 3.86Å; L23-Y161 HydrophobicContact CB-CD2 4.39Å; L23-Y161 HydrophobicContact CB-CE2 3.74Å; L23-Y161 HydrophobicContact CD1-CE2 4.24Å; L23-Y161 HydrophobicContact CD2-CD2 3.77Å; L23-Y161 HydrophobicContact CD2-CE2 3.85Å; L23-Y161 HydrophobicContact CG-CE2 4.15Å
24R98.6Very high97.4Very high135 Ų13532 Ų3251%0.50918%0.182SC..EExtended strand (participates in β ladder)trans-96.9113.1177.3-65.2-159.273.6114.81.8111.5Y15 R16 G22 N58 I90Y15-R24 PolarHBondContact O-NH2 3.38Å; R16-R24 CarbonylContact O-C 3.6Å; R16-R24 WeakPolarHBondContact O-CA 3.5Å; G22-R24 PolarHBondContact O-N 3Å; R24-N58 PolarHBondContact O-ND2 3.14Å; R24-I90 WeakPolarHBondContact O-CD1 3.45Å
25V98.7Very high97.4Very high0 Ų029.5 Ų29.50%017%0.169CC..EExtended strand (participates in β ladder)trans-101.9142.9177.8-640000110.5Y15 R16 L18 L23 V59 I90Y15-V25 CarbonylContact C-O 3.26Å; Y15-V25 WeakPolarHBondContact CA-O 3.23Å; R16-V25 PolarHBondContact N-O 2.87Å; R16-V25 PolarHBondContact O-N 2.82Å; L18-V25 HydrophobicContact CB-CG1 4.3Å; L23-V25 HydrophobicContact CD2-CG1 4.45Å; L23-V25 HydrophobicContact CG-CG1 4.46Å; V25-V59 HydrophobicContact CB-CG2 3.63Å; V25-V59 HydrophobicContact CG1-CG2 3.66Å; V25-I90 HydrophobicContact CG1-CD1 3.82Å
26S98.8Very high97.3Very high0 Ų025.5 Ų25.50%015%0.153CC..EExtended strand (participates in β ladder)trans-61.214516547.50000109.2I14 L28 I57 N58 S295I14-S26 CarbonylContact O-C 3.21Å; I14-S26 WeakPolarHBondContact O-CA 3.38Å; S26-L28 WeakPolarHBondContact CB-O 3.19Å; S26-L28 PolarHBondContact O-N 3.47Å; S26-L28 VanDerWaalsContact O-N 3.11Å; S26-L28 PolarHBondContact OG-O 2.92Å; S26-I57 WeakPolarHBondContact OG-CA 3.37Å; S26-N58 PolarHBondContact N-OD1 3.16Å; S26-N58 PolarHBondContact OG-N 3.49Å; S26-N58 PolarHBondContact OG-OD1 2.99Å; S26-N58 VanDerWaalsContact OG-OD1 3.07Å; S26-S295 VanDerWaalsContact O-CB 3.28Å; S26-S295 WeakPolarHBondContact O-CB 3.17Å; S26-S295 PolarHBondContact O-OG 2.67Å
27V98.2Very high97.2Very high0 Ų025 Ų250%016%0.161CC..SBendtrans-65.4-15179.7-65.60000113.3M13 I14 R16 L288 S295 V296 V313M13-V27 HydrophobicContact SD-CG2 3.9Å; I14-V27 HydrophobicContact CB-CG1 3.91Å; I14-V27 HydrophobicContact CB-CG2 4Å; I14-V27 HydrophobicContact CG2-CG1 3.88Å; I14-V27 WeakPolarHBondContact O-CG1 3.44Å; I14-V27 PolarHBondContact O-N 3Å; R16-V27 HydrophobicContact CG-CG1 3.78Å; V27-L288 HydrophobicContact CB-CD2 3.77Å; V27-L288 HydrophobicContact CG2-CD2 4.03Å; V27-L288 WeakPolarHBondContact O-CD2 3.36Å; V27-S295 CarbonylContact O-C 3.56Å; V27-S295 WeakPolarHBondContact O-CA 3.42Å; V27-S295 PolarHBondContact O-OG 3.06Å; V27-V296 PolarHBondContact O-N 2.84Å; V27-V313 HydrophobicContact CG2-CG2 3.98Å
28L98.7Very high96.9Very high0 Ų026.6 Ų26.60%017%0.169CC..EExtended strand (participates in β ladder)trans-115.2137.6167.6-65.1178.9000109.4M13 S26 I57 I284 L288 V296 I298 V313M13-L28 HydrophobicContact CE-CB 4.48Å; M13-L28 HydrophobicContact CE-CD1 4.38Å; S26-L28 WeakPolarHBondContact CB-O 3.19Å; S26-L28 PolarHBondContact O-N 3.47Å; S26-L28 VanDerWaalsContact O-N 3.11Å; S26-L28 PolarHBondContact OG-O 2.92Å; L28-I57 HydrophobicContact CB-CD1 4.07Å; L28-I57 HydrophobicContact CB-CG1 4.22Å; L28-I284 HydrophobicContact CD2-CG2 3.72Å; L28-L288 HydrophobicContact CD2-CD1 4.06Å; L28-L288 HydrophobicContact CD2-CD2 4.09Å; L28-L288 HydrophobicContact CD2-CG 4.36Å; L28-V296 WeakPolarHBondContact CA-O 3.31Å; L28-V296 HydrophobicContact CD2-CB 4.15Å; L28-I298 HydrophobicContact CD1-CD1 4.36Å; L28-I298 HydrophobicContact CD2-CG2 4.05Å; L28-V313 HydrophobicContact CD1-CG2 3.68Å; L28-V313 HydrophobicContact CG-CG2 4.06Å
29S98.8Very high96.6Very high0 Ų028.9 Ų28.90%018%0.18CC..EExtended strand (participates in β ladder)trans-114.2151.7169.1-57.50000109.2V59 S295 V296 V297 I298S29-V59 WeakPolarHBondContact CA-O 3.32Å; S29-V59 VanDerWaalsContact OG-CB 3.22Å; S29-V59 WeakPolarHBondContact OG-CB 3.1Å; S29-V59 VanDerWaalsContact OG-CG1 3.31Å; S29-V59 WeakPolarHBondContact OG-CG1 3.25Å; S29-S295 PolarHBondContact N-OG 3.4Å; S29-S295 WeakPolarHBondContact OG-CB 3.35Å; S29-S295 PolarHBondContact OG-OG 3.16Å; S29-V296 PolarHBondContact N-O 3.32Å; S29-V297 WeakPolarHBondContact O-CA 3.41Å; S29-I298 WeakPolarHBondContact O-CG1 3.37Å; S29-I298 PolarHBondContact O-N 2.9Å
30L98.8Very high96.7Very high2 Ų228.5 Ų28.51%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-97.7117.9171.6177.566.4000109.6F36 I48 V49 A52 I57 V59 F60 E61 L306L30-F36 HydrophobicContact CD2-CZ 4.42Å; L30-I48 HydrophobicContact CD1-CG2 3.86Å; L30-I48 HydrophobicContact CD2-CG2 3.77Å; L30-I48 HydrophobicContact CG-CG2 4.47Å; L30-V49 HydrophobicContact CD2-CG2 4.09Å; L30-A52 HydrophobicContact CB-CB 4.32Å; L30-A52 HydrophobicContact CD2-CB 3.89Å; L30-I57 HydrophobicContact CB-CG2 4.39Å; L30-V59 PolarHBondContact N-O 3.23Å; L30-F60 HydrophobicContact CB-CD1 4.08Å; L30-F60 HydrophobicContact CB-CE1 4.41Å; L30-F60 HydrophobicContact CD2-CD1 4.07Å; L30-F60 HydrophobicContact CD2-CE1 4.14Å; L30-F60 CarbonylContact O-C 3.58Å; L30-F60 WeakPolarHBondContact O-CA 3.29Å; L30-E61 PolarHBondContact O-N 3.01Å; L30-L306 HydrophobicContact CD1-CD1 4.27Å
31G98.5Very high96.7Very high4 Ų427.7 Ų27.74%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-93.1147.7173.400000112E61 I298G31-E61 CarbonylContact C-O 3.59Å; G31-E61 WeakPolarHBondContact CA-O 3.14Å; G31-I298 PolarHBondContact N-O 3.12Å
32T98.4Very high96.7Very high1 Ų129.7 Ų29.71%0.00617%0.174CC..  trans-99.9-7.4-178.464.50000114.2T35 F36 E61 T62 L75T32-T35 PolarHBondContact O-N 3.04Å; T32-T35 PolarHBondContact O-OG1 3.28Å; T32-T35 VanDerWaalsContact O-OG1 3.08Å; T32-F36 HydrophobicContact CG2-CB 4.41Å; T32-F36 HydrophobicContact CG2-CD1 4.01Å; T32-F36 HydrophobicContact CG2-CD2 3.75Å; T32-F36 HydrophobicContact CG2-CE1 4.23Å; T32-F36 HydrophobicContact CG2-CE2 3.96Å; T32-F36 HydrophobicContact CG2-CG 3.8Å; T32-F36 HydrophobicContact CG2-CZ 4.21Å; T32-F36 PolarHBondContact O-N 3.38Å; T32-F36 VanDerWaalsContact O-N 3.1Å; T32-E61 WeakPolarHBondContact CG2-O 3.33Å; T32-E61 PolarHBondContact N-O 3.24Å; T32-E61 PolarHBondContact OG1-O 3.13Å; T32-T62 WeakPolarHBondContact OG1-CA 3.05Å; T32-T62 VanDerWaalsContact OG1-CB 3.28Å; T32-T62 WeakPolarHBondContact OG1-CB 3.33Å; T32-T62 PolarHBondContact OG1-OG1 3.23Å; T32-L75 HydrophobicContact CG2-CB 4.47Å; T32-L75 HydrophobicContact CG2-CD2 4.19Å
33D95.5Very high96.7Very high62 Ų6232.7 Ų32.733%0.33217%0.171SC..THydrogen-bonded Turntrans-54.9140.7-175.8-172.625000112.7T35 Y66D33-T35 PolarHBondContact O-N 3.03Å; D33-T35 PolarHBondContact O-OG1 2.97Å; D33-Y66 HydrophobicContact CB-CD1 4.27Å; D33-Y66 HydrophobicContact CB-CD2 3.98Å; D33-Y66 HydrophobicContact CB-CE1 4Å; D33-Y66 HydrophobicContact CB-CE2 3.72Å; D33-Y66 HydrophobicContact CB-CG 4.26Å; D33-Y66 WeakPolarHBondContact OD1-CD1 3.48Å
34V93.9Very high96.7Very high6 Ų634 Ų344%0.03618%0.178CC..THydrogen-bonded Turntrans61.8-29.7-173.7-178.30000115.2Q39 R240 L243 Q246V34-Q39 VanDerWaalsContact O-CB 3.27Å; V34-Q39 WeakPolarHBondContact O-CB 3.36Å; V34-Q39 PolarHBondContact O-N 3.42Å; V34-R240 HydrophobicContact CG1-CG 4.13Å; V34-L243 HydrophobicContact CG1-CD1 3.67Å; V34-Q246 HydrophobicContact CG1-CG 4.49Å
35T95.4Very high96.7Very high1 Ų127.5 Ų27.51%0.00615%0.153CC..Iπ-helixtrans-86.2-61.7-168.6440000111.9T32 D33 N38 Q39 I40 A301T32-T35 PolarHBondContact O-N 3.04Å; T32-T35 PolarHBondContact O-OG1 3.28Å; T32-T35 VanDerWaalsContact O-OG1 3.08Å; D33-T35 PolarHBondContact O-N 3.03Å; D33-T35 PolarHBondContact O-OG1 2.97Å; T35-N38 PolarHBondContact O-N 3.19Å; T35-Q39 PolarHBondContact O-N 3.09Å; T35-I40 WeakPolarHBondContact O-CG1 3.31Å; T35-I40 PolarHBondContact O-N 3.36Å; T35-A301 HydrophobicContact CG2-CB 4.43Å
36F97Very high96.7Very high1 Ų129.5 Ų29.50%0.00416%0.164CC..Iπ-helixtrans-75.3138.5-170.9-71.245.4000110.2L30 T32 N38 I40 A45 V49 S67 A71 T74 I78L30-F36 HydrophobicContact CD2-CZ 4.42Å; T32-F36 HydrophobicContact CG2-CB 4.41Å; T32-F36 HydrophobicContact CG2-CD1 4.01Å; T32-F36 HydrophobicContact CG2-CD2 3.75Å; T32-F36 HydrophobicContact CG2-CE1 4.23Å; T32-F36 HydrophobicContact CG2-CE2 3.96Å; T32-F36 HydrophobicContact CG2-CG 3.8Å; T32-F36 HydrophobicContact CG2-CZ 4.21Å; T32-F36 PolarHBondContact O-N 3.38Å; T32-F36 VanDerWaalsContact O-N 3.1Å; F36-N38 PolarHBondContact O-N 2.86Å; F36-I40 HydrophobicContact CD1-CD1 4.36Å; F36-I40 HydrophobicContact CE1-CD1 4.35Å; F36-A45 HydrophobicContact CD1-CB 4.34Å; F36-A45 HydrophobicContact CD2-CB 3.82Å; F36-A45 HydrophobicContact CE1-CB 4.24Å; F36-A45 HydrophobicContact CE2-CB 3.7Å; F36-A45 HydrophobicContact CG-CB 4.14Å; F36-A45 HydrophobicContact CZ-CB 3.91Å; F36-V49 HydrophobicContact CE2-CG2 3.58Å; F36-V49 HydrophobicContact CZ-CG2 3.63Å; F36-S67 PolarHBondContact O-OG 3.46Å; F36-S67 VanDerWaalsContact O-OG 3.12Å; F36-A71 HydrophobicContact CB-CB 4.05Å; F36-T74 HydrophobicContact CB-CG2 4.26Å; F36-T74 HydrophobicContact CD2-CG2 3.85Å; F36-T74 HydrophobicContact CG-CG2 4.42Å; F36-I78 HydrophobicContact CD2-CD1 4.36Å; F36-I78 HydrophobicContact CE2-CD1 3.92Å
37G93.6Very high96.7Very high31 Ų3134.9 Ų34.932%0.3219%0.187SC..Iπ-helixtrans65.513.2-177.400000114.9
38N91.9Very high96.7Very high94 Ų9434.9 Ų34.950%0.50319%0.187SC..Iπ-helixtrans-149.4-80.2-179.1-179.518000112.8T35 F36 I40 S67T35-N38 PolarHBondContact O-N 3.19Å; F36-N38 PolarHBondContact O-N 2.86Å; N38-I40 PolarHBondContact O-N 2.94Å; N38-S67 VanDerWaalsContact CB-OG 3.3Å; N38-S67 WeakPolarHBondContact CB-OG 3.43Å
39Q92.4Very high96.7Very high49 Ų4934.9 Ų34.923%0.22919%0.187CC..Iπ-helixtrans-69.1-34.9-172.4-176.6-178.41900113.5V34 T35 L243V34-Q39 VanDerWaalsContact O-CB 3.27Å; V34-Q39 WeakPolarHBondContact O-CB 3.36Å; V34-Q39 PolarHBondContact O-N 3.42Å; T35-Q39 PolarHBondContact O-N 3.09Å; Q39-L243 HydrophobicContact CB-CD1 4.02Å; Q39-L243 HydrophobicContact CG-CD1 3.78Å; Q39-L243 HydrophobicContact CG-CD2 4.21Å
40I94.9Very high96.7Very high16 Ų1636.9 Ų36.98%0.08220%0.199CC..SBendtrans-121.1148.9-172.764.2171.3000112T35 F36 N38 I44 A45 I48 A301T35-I40 WeakPolarHBondContact O-CG1 3.31Å; T35-I40 PolarHBondContact O-N 3.36Å; F36-I40 HydrophobicContact CD1-CD1 4.36Å; F36-I40 HydrophobicContact CE1-CD1 4.35Å; N38-I40 PolarHBondContact O-N 2.94Å; I40-I44 HydrophobicContact CB-CB 4.42Å; I40-I44 HydrophobicContact CB-CG2 4.42Å; I40-I44 HydrophobicContact CD1-CB 4.46Å; I40-I44 HydrophobicContact CD1-CG2 4.13Å; I40-A45 HydrophobicContact CD1-CB 3.97Å; I40-A45 HydrophobicContact CG1-CB 4.43Å; I40-I48 HydrophobicContact CD1-CD1 3.82Å; I40-A301 HydrophobicContact CG2-CB 3.98Å; I40-A301 WeakPolarHBondContact CG2-O 3.39Å
41P95.8Very high96.6Very high75 Ų7537.8 Ų37.849%0.48721%0.205SC..  trans-63.6152.1170.9-19.231.6000112.5E43 I44 A45P41-E43 VanDerWaalsContact CB-OE2 3.22Å; P41-E43 WeakPolarHBondContact CB-OE2 3.47Å; P41-E43 PolarHBondContact O-N 2.89Å; P41-I44 HydrophobicContact CG-CG1 4.39Å; P41-I44 PolarHBondContact O-N 3.41Å; P41-A45 PolarHBondContact O-N 2.94Å
42D96.8Very high96.7Very high56 Ų5637.6 Ų37.630%0.29920%0.203SC..Hα-helixtrans-56-34.4178.3-81.820.4000112.6I44 A45 D46 T74 R77D42-I44 VanDerWaalsContact C-N 3.28Å; D42-I44 PolarHBondContact O-N 3.24Å; D42-A45 WeakPolarHBondContact O-CB 3.3Å; D42-A45 PolarHBondContact O-N 3.21Å; D42-D46 WeakPolarHBondContact O-CB 3.4Å; D42-D46 PolarHBondContact O-N 3.3Å; D42-T74 WeakPolarHBondContact OD1-CG2 3.41Å; D42-R77 IonicContact OD1-NH2 3.22Å; D42-R77 IonicContact OD2-CZ 3.46Å; D42-R77 IonicContact OD2-NE 3.65Å; D42-R77 PolarHBondContact OD2-NE 3.43Å; D42-R77 IonicContact OD2-NH2 2.83Å; D42-R77 PolarHBondContact OD2-NH2 3.46Å
43E97.8Very high96.7Very high127 Ų12740.3 Ų40.359%0.59321%0.214SC*.Hα-helixtrans-67.3-30.7178.7-5778.1-169.900112.2P41 K47P41-E43 VanDerWaalsContact CB-OE2 3.22Å; P41-E43 WeakPolarHBondContact CB-OE2 3.47Å; P41-E43 PolarHBondContact O-N 2.89Å; E43-K47 VanDerWaalsContact O-CG 3.32Å; E43-K47 WeakPolarHBondContact O-CG 3.38Å; E43-K47 PolarHBondContact O-N 3.07Å
44I98Very high96.7Very high53 Ų5342 Ų4227%0.27223%0.226SC..Hα-helixtrans-78-41174.4-58.8-59.7000109.8I40 P41 D42 D46 K47 I48I40-I44 HydrophobicContact CB-CB 4.42Å; I40-I44 HydrophobicContact CB-CG2 4.42Å; I40-I44 HydrophobicContact CD1-CB 4.46Å; I40-I44 HydrophobicContact CD1-CG2 4.13Å; P41-I44 HydrophobicContact CG-CG1 4.39Å; P41-I44 PolarHBondContact O-N 3.41Å; D42-I44 VanDerWaalsContact C-N 3.28Å; D42-I44 PolarHBondContact O-N 3.24Å; I44-D46 VanDerWaalsContact C-N 3.32Å; I44-D46 PolarHBondContact O-N 2.94Å; I44-K47 HydrophobicContact CD1-CD 4.49Å; I44-K47 PolarHBondContact O-N 2.75Å; I44-I48 HydrophobicContact CG2-CD1 3.91Å; I44-I48 HydrophobicContact CG2-CG1 4.39Å; I44-I48 VanDerWaalsContact O-CG1 3.31Å; I44-I48 WeakPolarHBondContact O-CG1 3.37Å; I44-I48 PolarHBondContact O-N 2.68Å
45A98.5Very high96.9Very high0 Ų043.7 Ų43.70%024%0.235CC..Hα-helixtrans-57.4-45.3174.500000111.4F36 I40 P41 D42 K47 I48 V49 T74 I78F36-A45 HydrophobicContact CD1-CB 4.34Å; F36-A45 HydrophobicContact CD2-CB 3.82Å; F36-A45 HydrophobicContact CE1-CB 4.24Å; F36-A45 HydrophobicContact CE2-CB 3.7Å; F36-A45 HydrophobicContact CG-CB 4.14Å; F36-A45 HydrophobicContact CZ-CB 3.91Å; I40-A45 HydrophobicContact CD1-CB 3.97Å; I40-A45 HydrophobicContact CG1-CB 4.43Å; P41-A45 PolarHBondContact O-N 2.94Å; D42-A45 WeakPolarHBondContact O-CB 3.3Å; D42-A45 PolarHBondContact O-N 3.21Å; A45-K47 PolarHBondContact O-N 3.14Å; A45-I48 PolarHBondContact O-N 3.2Å; A45-V49 WeakPolarHBondContact O-CG2 3.38Å; A45-V49 PolarHBondContact O-N 3.11Å; A45-T74 HydrophobicContact CB-CG2 4.03Å; A45-I78 HydrophobicContact CB-CD1 3.78Å
46D98.5Very high97.1Very high42 Ų4244.4 Ų44.423%0.22524%0.242CC..Hα-helixtrans-55.6-48.9174.9178.3-68.8000112D42 I44 I48 V49 T50 I78 K82D42-D46 WeakPolarHBondContact O-CB 3.4Å; D42-D46 PolarHBondContact O-N 3.3Å; I44-D46 VanDerWaalsContact C-N 3.32Å; I44-D46 PolarHBondContact O-N 2.94Å; D46-I48 VanDerWaalsContact C-N 3.34Å; D46-I48 PolarHBondContact O-N 3.03Å; D46-V49 PolarHBondContact O-N 3.28Å; D46-T50 WeakPolarHBondContact O-CB 3.47Å; D46-T50 PolarHBondContact O-N 2.83Å; D46-T50 PolarHBondContact O-OG1 2.8Å; D46-T50 PolarHBondContact OD1-OG1 3.22Å; D46-I78 HydrophobicContact CB-CD1 4.36Å; D46-I78 HydrophobicContact CB-CG1 4.14Å; D46-I78 HydrophobicContact CB-CG2 4.48Å; D46-K82 IonicContact OD1-NZ 3.08Å; D46-K82 PolarHBondContact OD1-NZ 3.34Å; D46-K82 WeakPolarHBondContact OD2-CE 3.46Å; D46-K82 IonicContact OD2-NZ 2.67Å; D46-K82 PolarHBondContact OD2-NZ 2.87Å
47K98.5Very high97.1Very high113 Ų11344.3 Ų44.349%0.49124%0.242SC..Hα-helixtrans-61.7-42.8178.8-72.6171.5-176175.70111.5E43 I44 A45 T50 V51 V303E43-K47 VanDerWaalsContact O-CG 3.32Å; E43-K47 WeakPolarHBondContact O-CG 3.38Å; E43-K47 PolarHBondContact O-N 3.07Å; I44-K47 HydrophobicContact CD1-CD 4.49Å; I44-K47 PolarHBondContact O-N 2.75Å; A45-K47 PolarHBondContact O-N 3.14Å; K47-T50 PolarHBondContact O-N 3.42Å; K47-V51 WeakPolarHBondContact O-CB 3.42Å; K47-V51 VanDerWaalsContact O-CG2 3.29Å; K47-V51 WeakPolarHBondContact O-CG2 3.36Å; K47-V51 PolarHBondContact O-N 2.87Å; K47-V303 HydrophobicContact CB-CG2 3.78Å
48I98.7Very high97.4Very high0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-62.6-47.6177.9-70.3174.3000110.4L30 I40 I44 A45 D46 T50 V51 A52 A300 V303 L306L30-I48 HydrophobicContact CD1-CG2 3.86Å; L30-I48 HydrophobicContact CD2-CG2 3.77Å; L30-I48 HydrophobicContact CG-CG2 4.47Å; I40-I48 HydrophobicContact CD1-CD1 3.82Å; I44-I48 HydrophobicContact CG2-CD1 3.91Å; I44-I48 HydrophobicContact CG2-CG1 4.39Å; I44-I48 VanDerWaalsContact O-CG1 3.31Å; I44-I48 WeakPolarHBondContact O-CG1 3.37Å; I44-I48 PolarHBondContact O-N 2.68Å; A45-I48 PolarHBondContact O-N 3.2Å; D46-I48 VanDerWaalsContact C-N 3.34Å; D46-I48 PolarHBondContact O-N 3.03Å; I48-T50 VanDerWaalsContact C-N 3.32Å; I48-T50 PolarHBondContact O-N 2.75Å; I48-V51 PolarHBondContact O-N 2.9Å; I48-A52 WeakPolarHBondContact O-CB 3.35Å; I48-A52 PolarHBondContact O-N 3.34Å; I48-A300 WeakPolarHBondContact CD1-O 3.49Å; I48-V303 HydrophobicContact CG1-CG2 4.21Å; I48-L306 HydrophobicContact CB-CD2 4.32Å; I48-L306 HydrophobicContact CG2-CD2 3.76Å; I48-L306 WeakPolarHBondContact O-CD2 3.48Å
49V98.7Very high97.7Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-60.4-43.3176.1173.40000111.1L30 F36 A45 D46 A52 Y53 F60 L75 I78 W84L30-V49 HydrophobicContact CD2-CG2 4.09Å; F36-V49 HydrophobicContact CE2-CG2 3.58Å; F36-V49 HydrophobicContact CZ-CG2 3.63Å; A45-V49 WeakPolarHBondContact O-CG2 3.38Å; A45-V49 PolarHBondContact O-N 3.11Å; D46-V49 PolarHBondContact O-N 3.28Å; V49-A52 PolarHBondContact O-N 3.28Å; V49-Y53 WeakPolarHBondContact O-CB 3.49Å; V49-Y53 PolarHBondContact O-N 3.3Å; V49-F60 HydrophobicContact CG1-CD1 4.39Å; V49-F60 HydrophobicContact CG1-CE1 3.87Å; V49-F60 HydrophobicContact CG1-CZ 4.24Å; V49-L75 HydrophobicContact CG2-CD1 4.2Å; V49-I78 HydrophobicContact CB-CG2 3.88Å; V49-I78 HydrophobicContact CG1-CG2 3.79Å; V49-I78 HydrophobicContact CG2-CD1 4.19Å; V49-I78 HydrophobicContact CG2-CG2 4.19Å; V49-W84 HydrophobicContact CG1-CH2 3.91Å; V49-W84 HydrophobicContact CG1-CZ3 3.79Å
50T98.6Very high98Very high41 Ų4137.2 Ų37.225%0.25220%0.199SC..Hα-helixtrans-61.5-46.9178.1-560000111.7D46 K47 I48 Y53 T54 K82D46-T50 WeakPolarHBondContact O-CB 3.47Å; D46-T50 PolarHBondContact O-N 2.83Å; D46-T50 PolarHBondContact O-OG1 2.8Å; D46-T50 PolarHBondContact OD1-OG1 3.22Å; K47-T50 PolarHBondContact O-N 3.42Å; I48-T50 VanDerWaalsContact C-N 3.32Å; I48-T50 PolarHBondContact O-N 2.75Å; T50-Y53 PolarHBondContact O-N 3.29Å; T50-T54 HydrophobicContact CG2-CG2 4.35Å; T50-T54 WeakPolarHBondContact O-CB 3.42Å; T50-T54 VanDerWaalsContact O-CG2 3.26Å; T50-T54 WeakPolarHBondContact O-CG2 3.5Å; T50-T54 PolarHBondContact O-N 3.2Å; T50-T54 PolarHBondContact O-OG1 3.44Å; T50-K82 VanDerWaalsContact OG1-CE 3.26Å; T50-K82 WeakPolarHBondContact OG1-CE 3.38Å; T50-K82 PolarHBondContact OG1-NZ 3.38Å
51V98.3Very high98.2Very high21 Ų2136.7 Ų36.713%0.12720%0.196CC..Hα-helixtrans-64.4-41.3178167.80000111K47 I48 T54 N55 V303 L306 H307 I310K47-V51 WeakPolarHBondContact O-CB 3.42Å; K47-V51 VanDerWaalsContact O-CG2 3.29Å; K47-V51 WeakPolarHBondContact O-CG2 3.36Å; K47-V51 PolarHBondContact O-N 2.87Å; I48-V51 PolarHBondContact O-N 2.9Å; V51-T54 WeakPolarHBondContact CA-OG1 3.45Å; V51-T54 PolarHBondContact O-OG1 2.87Å; V51-N55 WeakPolarHBondContact O-CB 3.19Å; V51-N55 PolarHBondContact O-N 3.44Å; V51-N55 VanDerWaalsContact O-N 3.07Å; V51-N55 PolarHBondContact O-ND2 2.64Å; V51-V303 HydrophobicContact CG2-CG1 3.94Å; V51-L306 HydrophobicContact CB-CD2 3.81Å; V51-L306 HydrophobicContact CG1-CD2 3.63Å; V51-L306 HydrophobicContact CG1-CG 4.17Å; V51-H307 WeakPolarHBondContact CG1-CE1 3.32Å; V51-I310 HydrophobicContact CG1-CD1 4.42Å
52A98.7Very high98.4Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-60-53.6176.600000110.9L30 I48 V49 T54 N55 G56 I57 F60 L306L30-A52 HydrophobicContact CB-CB 4.32Å; L30-A52 HydrophobicContact CD2-CB 3.89Å; I48-A52 WeakPolarHBondContact O-CB 3.35Å; I48-A52 PolarHBondContact O-N 3.34Å; V49-A52 PolarHBondContact O-N 3.28Å; A52-T54 PolarHBondContact O-N 2.89Å; A52-N55 CarbonylContact O-C 3.34Å; A52-N55 PolarHBondContact O-N 3.49Å; A52-G56 PolarHBondContact O-N 3.12Å; A52-I57 HydrophobicContact CB-CB 4.01Å; A52-I57 HydrophobicContact CB-CD1 4.02Å; A52-I57 HydrophobicContact CB-CG1 4.5Å; A52-I57 HydrophobicContact CB-CG2 4.28Å; A52-I57 WeakPolarHBondContact O-CB 3.18Å; A52-I57 PolarHBondContact O-N 3.09Å; A52-F60 HydrophobicContact CB-CE1 4.11Å; A52-L306 HydrophobicContact CB-CD2 4.02Å
53Y98.5Very high98.4Very high58 Ų5830.5 Ų30.523%0.22716%0.159CC..Hα-helixtrans-59.8-47.4-179.4-173.5-93.5000112.5V49 T50 N55 G56 I57 F60 W84 S88V49-Y53 WeakPolarHBondContact O-CB 3.49Å; V49-Y53 PolarHBondContact O-N 3.3Å; T50-Y53 PolarHBondContact O-N 3.29Å; Y53-N55 PolarHBondContact O-N 3.32Å; Y53-G56 WeakPolarHBondContact O-CA 3.21Å; Y53-G56 PolarHBondContact O-N 3.09Å; Y53-I57 WeakPolarHBondContact CA-O 3.49Å; Y53-F60 HydrophobicContact CD2-CE2 4.29Å; Y53-F60 HydrophobicContact CD2-CZ 4.24Å; Y53-W84 AromaticContact CD1-CD2 3.74Å; Y53-W84 HydrophobicContact CD1-CD2 3.74Å; Y53-W84 AromaticContact CD1-CE2 3.33Å; Y53-W84 HydrophobicContact CD1-CE3 4.22Å; Y53-W84 HydrophobicContact CD1-CG 4.31Å; Y53-W84 HydrophobicContact CD1-CH2 4.01Å; Y53-W84 AromaticContact CD1-CZ2 3.49Å; Y53-W84 HydrophobicContact CD1-CZ2 3.49Å; Y53-W84 VanDerWaalsContact CD1-CZ2 3.49Å; Y53-W84 HydrophobicContact CD1-CZ3 4.33Å; Y53-W84 AromaticContact CD1-NE1 3.68Å; Y53-W84 AromaticContact CD2-CD2 3.87Å; Y53-W84 HydrophobicContact CD2-CD2 3.87Å; Y53-W84 AromaticContact CD2-CE3 3.61Å; Y53-W84 HydrophobicContact CD2-CE3 3.61Å; Y53-W84 HydrophobicContact CD2-CH2 4.17Å; Y53-W84 HydrophobicContact CD2-CZ2 4.41Å; Y53-W84 AromaticContact CD2-CZ3 3.77Å; Y53-W84 HydrophobicContact CD2-CZ3 3.77Å; Y53-W84 AromaticContact CE1-CD1 3.72Å; Y53-W84 AromaticContact CE1-CD2 3.75Å; Y53-W84 HydrophobicContact CE1-CD2 3.75Å; Y53-W84 AromaticContact CE1-CE2 3.62Å; Y53-W84 HydrophobicContact CE1-CE3 4.48Å; Y53-W84 AromaticContact CE1-CG 3.82Å; Y53-W84 HydrophobicContact CE1-CG 3.82Å; Y53-W84 HydrophobicContact CE1-CZ2 4.26Å; Y53-W84 AromaticContact CE1-NE1 3.58Å; Y53-W84 HydrophobicContact CE2-CB 4.41Å; Y53-W84 AromaticContact CE2-CD2 3.87Å; Y53-W84 HydrophobicContact CE2-CD2 3.87Å; Y53-W84 AromaticContact CE2-CE3 3.89Å; Y53-W84 HydrophobicContact CE2-CE3 3.89Å; Y53-W84 HydrophobicContact CE2-CG 4.12Å; Y53-W84 AromaticContact CG-CD2 3.8Å; Y53-W84 HydrophobicContact CG-CD2 3.8Å; Y53-W84 AromaticContact CG-CE2 3.68Å; Y53-W84 AromaticContact CG-CE3 3.78Å; Y53-W84 HydrophobicContact CG-CE3 3.78Å; Y53-W84 AromaticContact CG-CH2 3.56Å; Y53-W84 HydrophobicContact CG-CH2 3.56Å; Y53-W84 AromaticContact CG-CZ2 3.58Å; Y53-W84 HydrophobicContact CG-CZ2 3.58Å; Y53-W84 AromaticContact CG-CZ3 3.66Å; Y53-W84 HydrophobicContact CG-CZ3 3.66Å; Y53-W84 AromaticContact CZ-CD2 3.8Å; Y53-W84 AromaticContact CZ-CG 3.71Å; Y53-S88 WeakPolarHBondContact OH-CB 3.48Å; Y53-S88 PolarHBondContact OH-OG 3.43Å
54T97.2Very high98.3Very high98 Ų9824.5 Ų24.560%0.60113%0.131SC*.Hα-helixtrans-67.1-23.2-179.253.10000113.3T50 V51 A52 G56T50-T54 HydrophobicContact CG2-CG2 4.35Å; T50-T54 WeakPolarHBondContact O-CB 3.42Å; T50-T54 VanDerWaalsContact O-CG2 3.26Å; T50-T54 WeakPolarHBondContact O-CG2 3.5Å; T50-T54 PolarHBondContact O-N 3.2Å; T50-T54 PolarHBondContact O-OG1 3.44Å; V51-T54 WeakPolarHBondContact CA-OG1 3.45Å; V51-T54 PolarHBondContact O-OG1 2.87Å; A52-T54 PolarHBondContact O-N 2.89Å; T54-G56 VanDerWaalsContact C-N 3.3Å
55N97.8Very high98.2Very high42 Ų4223.9 Ų23.923%0.22513%0.134CC..THydrogen-bonded Turntrans-89.78.2171-77-91.5000113.3M13 V51 A52 Y53 I310M13-N55 WeakPolarHBondContact CB-O 3.33Å; V51-N55 WeakPolarHBondContact O-CB 3.19Å; V51-N55 PolarHBondContact O-N 3.44Å; V51-N55 VanDerWaalsContact O-N 3.07Å; V51-N55 PolarHBondContact O-ND2 2.64Å; A52-N55 CarbonylContact O-C 3.34Å; A52-N55 PolarHBondContact O-N 3.49Å; Y53-N55 PolarHBondContact O-N 3.32Å; N55-I310 HydrophobicContact CB-CD1 3.9Å; N55-I310 HydrophobicContact CB-CG2 4.23Å
56G98.2Very high98.1Very high15 Ų1525.7 Ų25.716%0.15514%0.14CC..THydrogen-bonded Turntrans88.54.8173.300000115.3M13 Y15 A52 Y53 T54 N58M13-G56 WeakPolarHBondContact CG-O 3.45Å; Y15-G56 WeakPolarHBondContact CE1-O 3.46Å; Y15-G56 WeakPolarHBondContact OH-CA 3.5Å; Y15-G56 PolarHBondContact OH-O 2.53Å; A52-G56 PolarHBondContact O-N 3.12Å; Y53-G56 WeakPolarHBondContact O-CA 3.21Å; Y53-G56 PolarHBondContact O-N 3.09Å; T54-G56 VanDerWaalsContact C-N 3.3Å; G56-N58 PolarHBondContact O-N 2.99Å
57I98.8Very high97.9Very high0 Ų025 Ų250%014%0.139CC..  trans-64.7120167.8-66.6178.1000107.5M13 S26 L28 L30 A52 Y53 V59 I298 I310M13-I57 HydrophobicContact CE-CG1 3.8Å; S26-I57 WeakPolarHBondContact OG-CA 3.37Å; L28-I57 HydrophobicContact CB-CD1 4.07Å; L28-I57 HydrophobicContact CB-CG1 4.22Å; L30-I57 HydrophobicContact CB-CG2 4.39Å; A52-I57 HydrophobicContact CB-CB 4.01Å; A52-I57 HydrophobicContact CB-CD1 4.02Å; A52-I57 HydrophobicContact CB-CG1 4.5Å; A52-I57 HydrophobicContact CB-CG2 4.28Å; A52-I57 WeakPolarHBondContact O-CB 3.18Å; A52-I57 PolarHBondContact O-N 3.09Å; Y53-I57 WeakPolarHBondContact CA-O 3.49Å; I57-V59 WeakPolarHBondContact CG2-O 3.47Å; I57-I298 HydrophobicContact CD1-CD1 4.33Å; I57-I310 HydrophobicContact CD1-CD1 4.14Å; I57-I310 HydrophobicContact CD1-CG1 3.96Å
58N98.8Very high97.7Very high24 Ų2426.6 Ų26.613%0.12815%0.153CC..  trans-109.1-4.8179.175.8-18.8000112.9Y15 R24 S26 G56 Y89 I90Y15-N58 HydrophobicContact CE1-CB 4.34Å; R24-N58 PolarHBondContact O-ND2 3.14Å; S26-N58 PolarHBondContact N-OD1 3.16Å; S26-N58 PolarHBondContact OG-N 3.49Å; S26-N58 PolarHBondContact OG-OD1 2.99Å; S26-N58 VanDerWaalsContact OG-OD1 3.07Å; G56-N58 PolarHBondContact O-N 2.99Å; N58-Y89 CarbonylContact O-C 3.57Å; N58-Y89 WeakPolarHBondContact O-CA 3.38Å; N58-I90 WeakPolarHBondContact O-CA 3.28Å; N58-I90 WeakPolarHBondContact O-CB 3.24Å; N58-I90 PolarHBondContact O-N 3.29Å
59V98.9Very high97.6Very high0 Ų026.6 Ų26.60%015%0.153CC..EExtended strand (participates in β ladder)trans-108.3123178.7-172.90000110.7V25 S29 L30 I57 I90 C92 M217V25-V59 HydrophobicContact CB-CG2 3.63Å; V25-V59 HydrophobicContact CG1-CG2 3.66Å; S29-V59 WeakPolarHBondContact CA-O 3.32Å; S29-V59 VanDerWaalsContact OG-CB 3.22Å; S29-V59 WeakPolarHBondContact OG-CB 3.1Å; S29-V59 VanDerWaalsContact OG-CG1 3.31Å; S29-V59 WeakPolarHBondContact OG-CG1 3.25Å; L30-V59 PolarHBondContact N-O 3.23Å; I57-V59 WeakPolarHBondContact CG2-O 3.47Å; V59-I90 WeakPolarHBondContact CA-O 3.16Å; V59-I90 HydrophobicContact CB-CB 4.46Å; V59-I90 HydrophobicContact CG1-CG2 4.14Å; V59-I90 HydrophobicContact CG2-CB 4.1Å; V59-I90 HydrophobicContact CG2-CD1 4.15Å; V59-I90 HydrophobicContact CG2-CG2 4.2Å; V59-C92 HydrophobicContact CG1-CB 4.28Å; V59-M217 HydrophobicContact CG1-CE 4.12Å
60F98.9Very high97.5Very high1 Ų129.8 Ų29.80%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-113.6120.1172.7-56.5-78.6000108.7L30 V49 A52 Y53 L75 W84 Y89 I90 V91 C92L30-F60 HydrophobicContact CB-CD1 4.08Å; L30-F60 HydrophobicContact CB-CE1 4.41Å; L30-F60 HydrophobicContact CD2-CD1 4.07Å; L30-F60 HydrophobicContact CD2-CE1 4.14Å; L30-F60 CarbonylContact O-C 3.58Å; L30-F60 WeakPolarHBondContact O-CA 3.29Å; V49-F60 HydrophobicContact CG1-CD1 4.39Å; V49-F60 HydrophobicContact CG1-CE1 3.87Å; V49-F60 HydrophobicContact CG1-CZ 4.24Å; A52-F60 HydrophobicContact CB-CE1 4.11Å; Y53-F60 HydrophobicContact CD2-CE2 4.29Å; Y53-F60 HydrophobicContact CD2-CZ 4.24Å; F60-L75 HydrophobicContact CB-CD1 4.28Å; F60-L75 HydrophobicContact CB-CD2 4.16Å; F60-W84 HydrophobicContact CZ-CZ3 4.49Å; F60-Y89 HydrophobicContact CD2-CD2 4.46Å; F60-Y89 HydrophobicContact CE2-CG 4.44Å; F60-I90 PolarHBondContact N-O 2.85Å; F60-V91 WeakPolarHBondContact O-CA 3.28Å; F60-C92 PolarHBondContact O-N 2.61Å
61E98.8Very high97.5Very high5 Ų527.8 Ų27.82%0.02316%0.156CC..EExtended strand (participates in β ladder)trans-109.4134.7-174.7-176-78.8143.100110.4L30 G31 T32 Y66 C92 R94 V297L30-E61 PolarHBondContact O-N 3.01Å; G31-E61 CarbonylContact C-O 3.59Å; G31-E61 WeakPolarHBondContact CA-O 3.14Å; T32-E61 WeakPolarHBondContact CG2-O 3.33Å; T32-E61 PolarHBondContact N-O 3.24Å; T32-E61 PolarHBondContact OG1-O 3.13Å; E61-Y66 WeakPolarHBondContact OE1-CE2 3.49Å; E61-Y66 PolarHBondContact OE1-OH 3.03Å; E61-C92 CarbonylContact C-O 3.59Å; E61-C92 VanDerWaalsContact CA-O 3.31Å; E61-C92 WeakPolarHBondContact CA-O 3.36Å; E61-C92 HydrophobicContact CB-CB 4.17Å; E61-C92 HydrophobicContact CG-CB 4.17Å; E61-R94 WeakPolarHBondContact OE1-CD 3.42Å; E61-R94 WeakPolarHBondContact OE1-CG 3.45Å; E61-V297 HydrophobicContact CB-CG1 4.09Å; E61-V297 HydrophobicContact CG-CG1 4.36Å; E61-V297 HydrophobicContact CG-CG2 4.47Å
62T98.7Very high97.5Very high0 Ų026.8 Ų26.80%015%0.15CC..EExtended strand (participates in β ladder)trans-151.7-179.2-178.6-161.30000110.2T32 E72 L75 C92 C93 R94 L123T32-T62 WeakPolarHBondContact OG1-CA 3.05Å; T32-T62 VanDerWaalsContact OG1-CB 3.28Å; T32-T62 WeakPolarHBondContact OG1-CB 3.33Å; T32-T62 PolarHBondContact OG1-OG1 3.23Å; T62-E72 HydrophobicContact CG2-CG 3.71Å; T62-L75 HydrophobicContact CG2-CD2 4.05Å; T62-C92 PolarHBondContact N-O 3.11Å; T62-C93 CarbonylContact O-C 3.54Å; T62-C93 WeakPolarHBondContact O-CA 3.45Å; T62-R94 PolarHBondContact O-N 3Å; T62-L123 HydrophobicContact CG2-CD1 4.45Å; T62-L123 HydrophobicContact CG2-CD2 4.16Å
63G97.4Very high97.5Very high1 Ų130.9 Ų30.91%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-165.9157.9177.400000113.6A65 Y66 R94G63-A65 PolarHBondContact O-N 3.35Å; G63-Y66 WeakPolarHBondContact O-CB 3.28Å; G63-Y66 PolarHBondContact O-N 3.43Å; G63-R94 VanDerWaalsContact CA-O 3.22Å; G63-R94 WeakPolarHBondContact CA-O 3.44Å
64E96.9Very high97.5Very high1 Ų128.1 Ų28.11%0.00515%0.154CC..THydrogen-bonded Turntrans-63.4-31.1-171.367.1-178.1178.200113Y66 G69 E72 R94 L95 S96 K97 S98 H111 G115E64-Y66 VanDerWaalsContact C-N 3.34Å; E64-G69 PolarHBondContact O-N 3.49Å; E64-G69 VanDerWaalsContact O-N 3.12Å; E64-E72 WeakPolarHBondContact CA-OE1 3.46Å; E64-E72 PolarHBondContact N-OE1 3.2Å; E64-E72 VanDerWaalsContact N-OE1 3.17Å; E64-R94 PolarHBondContact N-O 2.93Å; E64-L95 HydrophobicContact CB-CD2 4.44Å; E64-L95 HydrophobicContact CG-CD2 4.32Å; E64-L95 WeakPolarHBondContact OE2-CD2 3.37Å; E64-S96 PolarHBondContact OE1-N 3.01Å; E64-K97 PolarHBondContact OE1-N 3.43Å; E64-K97 VanDerWaalsContact OE1-N 3.12Å; E64-S98 WeakPolarHBondContact OE2-CB 3.41Å; E64-H111 IonicContact OE1-CE1 2.73Å; E64-H111 PolarHBondContact OE1-CE1 3.08Å; E64-H111 IonicContact OE1-NE2 3.35Å; E64-H111 PolarHBondContact OE1-NE2 3.3Å; E64-H111 IonicContact OE2-CE1 3.52Å; E64-H111 IonicContact OE2-NE2 3.61Å; E64-G115 VanDerWaalsContact OE2-CA 3.3Å; E64-G115 WeakPolarHBondContact OE2-CA 3.46Å
65A95.6Very high97.6Very high40 Ų4023.5 Ų23.533%0.33113%0.126SC..THydrogen-bonded Turntrans-79.4-16.2178.900000113.1G63 S67 N68 K97G63-A65 PolarHBondContact O-N 3.35Å; A65-S67 PolarHBondContact O-N 3.44Å; A65-S67 VanDerWaalsContact O-N 3.09Å; A65-N68 PolarHBondContact O-N 2.84Å; A65-K97 WeakPolarHBondContact CB-O 3.12Å
66Y95.8Very high97.6Very high37 Ų3721.5 Ų21.515%0.14512%0.116CC..G310 helixtrans-70.6111.2-172.5-65.2-10.8000110.6D33 E61 G63 E64 N68 G69 A71 R94D33-Y66 HydrophobicContact CB-CD1 4.27Å; D33-Y66 HydrophobicContact CB-CD2 3.98Å; D33-Y66 HydrophobicContact CB-CE1 4Å; D33-Y66 HydrophobicContact CB-CE2 3.72Å; D33-Y66 HydrophobicContact CB-CG 4.26Å; D33-Y66 WeakPolarHBondContact OD1-CD1 3.48Å; E61-Y66 WeakPolarHBondContact OE1-CE2 3.49Å; E61-Y66 PolarHBondContact OE1-OH 3.03Å; G63-Y66 WeakPolarHBondContact O-CB 3.28Å; G63-Y66 PolarHBondContact O-N 3.43Å; E64-Y66 VanDerWaalsContact C-N 3.34Å; Y66-N68 PolarHBondContact O-N 2.87Å; Y66-G69 PolarHBondContact O-N 3.29Å; Y66-G69 VanDerWaalsContact O-N 3.12Å; Y66-A71 WeakPolarHBondContact O-CB 3.41Å; Y66-A71 PolarHBondContact O-N 3.08Å; Y66-R94 VanDerWaalsContact OH-CD 3.27Å; Y66-R94 WeakPolarHBondContact OH-CD 3.44Å
67S94.3Very high97.6Very high29 Ų2925.3 Ų25.320%0.20313%0.125CC..G310 helixtrans51.340.5-173.9-50.20000111.9F36 N38 A65 G69 E70F36-S67 PolarHBondContact O-OG 3.46Å; F36-S67 VanDerWaalsContact O-OG 3.12Å; N38-S67 VanDerWaalsContact CB-OG 3.3Å; N38-S67 WeakPolarHBondContact CB-OG 3.43Å; A65-S67 PolarHBondContact O-N 3.44Å; A65-S67 VanDerWaalsContact O-N 3.09Å; S67-G69 VanDerWaalsContact C-N 3.29Å; S67-G69 PolarHBondContact O-N 2.96Å; S67-E70 WeakPolarHBondContact O-CB 3.5Å; S67-E70 PolarHBondContact O-N 3.39Å
68N94.1Very high97.6Very high145 Ų14525.7 Ų25.778%0.77513%0.127SC*.G310 helixtrans53.842.8-178-54.8-35.4000113.2A65 Y66 E70A65-N68 PolarHBondContact O-N 2.84Å; Y66-N68 PolarHBondContact O-N 2.87Å; N68-E70 VanDerWaalsContact C-N 3.3Å; N68-E70 PolarHBondContact O-N 2.94Å
69G96.3Very high97.6Very high0 Ų024.8 Ų24.80%012%0.122CC..G310 helixtrans81.4-4.3-178.700000115E64 Y66 S67 A71 E72 R73E64-G69 PolarHBondContact O-N 3.49Å; E64-G69 VanDerWaalsContact O-N 3.12Å; Y66-G69 PolarHBondContact O-N 3.29Å; Y66-G69 VanDerWaalsContact O-N 3.12Å; S67-G69 VanDerWaalsContact C-N 3.29Å; S67-G69 PolarHBondContact O-N 2.96Å; G69-A71 VanDerWaalsContact C-N 3.27Å; G69-A71 PolarHBondContact O-N 3.47Å; G69-E72 WeakPolarHBondContact O-CB 3.42Å; G69-E72 PolarHBondContact O-N 3.26Å; G69-R73 PolarHBondContact O-N 3.4Å; G69-R73 VanDerWaalsContact O-N 3.1Å
70E97.1Very high97.5Very high67 Ų6728.2 Ų28.231%0.31315%0.146SC..Hα-helixtrans-66.4-29.5176.5-73.9-53.8123.800112.7S67 N68 E72 R73 T74S67-E70 WeakPolarHBondContact O-CB 3.5Å; S67-E70 PolarHBondContact O-N 3.39Å; N68-E70 VanDerWaalsContact C-N 3.3Å; N68-E70 PolarHBondContact O-N 2.94Å; E70-E72 VanDerWaalsContact C-N 3.3Å; E70-E72 PolarHBondContact O-N 3.43Å; E70-R73 PolarHBondContact O-N 3.06Å; E70-R73 WeakPolarHBondContact OE1-CD 3.44Å; E70-R73 IonicContact OE1-CZ 3.09Å; E70-R73 IonicContact OE1-NE 2.69Å; E70-R73 IonicContact OE1-NH1 2.67Å; E70-R73 PolarHBondContact OE1-NH1 3.31Å; E70-T74 WeakPolarHBondContact O-CB 3.3Å; E70-T74 PolarHBondContact O-N 2.88Å; E70-T74 PolarHBondContact O-OG1 3.38Å
71A98.1Very high97.4Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-61.6-41.5174.200000111.5F36 Y66 G69 T74 L75F36-A71 HydrophobicContact CB-CB 4.05Å; Y66-A71 WeakPolarHBondContact O-CB 3.41Å; Y66-A71 PolarHBondContact O-N 3.08Å; G69-A71 VanDerWaalsContact C-N 3.27Å; G69-A71 PolarHBondContact O-N 3.47Å; A71-T74 PolarHBondContact O-N 3.48Å; A71-L75 WeakPolarHBondContact O-CB 3.47Å; A71-L75 PolarHBondContact O-N 2.87Å
72E98.7Very high97.4Very high0 Ų034.8 Ų34.80%018%0.183CC..Hα-helixtrans-67.2-43.7176.4-71.7176.515700112T62 E64 G69 E70 T74 L75 G76 C93 S119 R122 L123T62-E72 HydrophobicContact CG2-CG 3.71Å; E64-E72 WeakPolarHBondContact CA-OE1 3.46Å; E64-E72 PolarHBondContact N-OE1 3.2Å; E64-E72 VanDerWaalsContact N-OE1 3.17Å; G69-E72 WeakPolarHBondContact O-CB 3.42Å; G69-E72 PolarHBondContact O-N 3.26Å; E70-E72 VanDerWaalsContact C-N 3.3Å; E70-E72 PolarHBondContact O-N 3.43Å; E72-T74 VanDerWaalsContact C-N 3.33Å; E72-T74 PolarHBondContact O-N 3.46Å; E72-L75 PolarHBondContact O-N 3.18Å; E72-G76 PolarHBondContact O-N 3.4Å; E72-C93 PolarHBondContact OE1-SG 3.35Å; E72-S119 WeakPolarHBondContact OE1-CB 3.22Å; E72-S119 PolarHBondContact OE1-OG 3.08Å; E72-R122 HydrophobicContact CB-CB 3.92Å; E72-R122 IonicContact OE2-CZ 3.4Å; E72-R122 IonicContact OE2-NE 2.68Å; E72-R122 PolarHBondContact OE2-NE 3.15Å; E72-R122 IonicContact OE2-NH2 3.43Å; E72-R122 PolarHBondContact OE2-NH2 2.95Å; E72-L123 HydrophobicContact CB-CD2 4.12Å; E72-L123 HydrophobicContact CB-CG 4.07Å; E72-L123 HydrophobicContact CG-CD2 4.37Å; E72-L123 HydrophobicContact CG-CG 4.31Å
73R98.6Very high97.2Very high86 Ų8642.3 Ų42.333%0.32522%0.223SC..Hα-helixtrans-60.9-43.7175.7-67.2-174.7-173.788.74.1111.6G69 E70 G76 R77 R122G69-R73 PolarHBondContact O-N 3.4Å; G69-R73 VanDerWaalsContact O-N 3.1Å; E70-R73 PolarHBondContact O-N 3.06Å; E70-R73 WeakPolarHBondContact OE1-CD 3.44Å; E70-R73 IonicContact OE1-CZ 3.09Å; E70-R73 IonicContact OE1-NE 2.69Å; E70-R73 IonicContact OE1-NH1 2.67Å; E70-R73 PolarHBondContact OE1-NH1 3.31Å; R73-G76 PolarHBondContact O-N 3.09Å; R73-R77 WeakPolarHBondContact O-CB 3.49Å; R73-R77 WeakPolarHBondContact O-CG 3.48Å; R73-R77 PolarHBondContact O-N 2.91Å; R73-R122 WeakPolarHBondContact CA-O 3.49Å; R73-R122 HydrophobicContact CG-CB 3.77Å; R73-R122 HydrophobicContact CG-CG 3.8Å; R73-R122 VanDerWaalsContact CZ-CD 3.46Å
74T98.6Very high97.3Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-62.3-50.4177.4-55.10000110.7F36 D42 A45 E70 A71 E72 G76 R77 I78F36-T74 HydrophobicContact CB-CG2 4.26Å; F36-T74 HydrophobicContact CD2-CG2 3.85Å; F36-T74 HydrophobicContact CG-CG2 4.42Å; D42-T74 WeakPolarHBondContact OD1-CG2 3.41Å; A45-T74 HydrophobicContact CB-CG2 4.03Å; E70-T74 WeakPolarHBondContact O-CB 3.3Å; E70-T74 PolarHBondContact O-N 2.88Å; E70-T74 PolarHBondContact O-OG1 3.38Å; A71-T74 PolarHBondContact O-N 3.48Å; E72-T74 VanDerWaalsContact C-N 3.33Å; E72-T74 PolarHBondContact O-N 3.46Å; T74-G76 VanDerWaalsContact C-N 3.35Å; T74-G76 PolarHBondContact O-N 3.12Å; T74-R77 PolarHBondContact O-N 2.95Å; T74-R77 PolarHBondContact OG1-NH2 2.76Å; T74-I78 HydrophobicContact CG2-CD1 3.92Å; T74-I78 WeakPolarHBondContact O-CD1 3.38Å; T74-I78 VanDerWaalsContact O-CG1 3.27Å; T74-I78 WeakPolarHBondContact O-CG1 3.26Å; T74-I78 PolarHBondContact O-N 3.45Å
75L98.8Very high97.3Very high0 Ų053.3 Ų53.30%026%0.264CS..Hα-helixtrans-60.7-43.9177.7-179.361.3000111.7T32 V49 F60 T62 A71 E72 I78 L79 L123T32-L75 HydrophobicContact CG2-CB 4.47Å; T32-L75 HydrophobicContact CG2-CD2 4.19Å; V49-L75 HydrophobicContact CG2-CD1 4.2Å; F60-L75 HydrophobicContact CB-CD1 4.28Å; F60-L75 HydrophobicContact CB-CD2 4.16Å; T62-L75 HydrophobicContact CG2-CD2 4.05Å; A71-L75 WeakPolarHBondContact O-CB 3.47Å; A71-L75 PolarHBondContact O-N 2.87Å; E72-L75 PolarHBondContact O-N 3.18Å; L75-I78 PolarHBondContact O-N 3.09Å; L75-L79 HydrophobicContact CD1-CD1 4.01Å; L75-L79 HydrophobicContact CD1-CG 4.06Å; L75-L79 HydrophobicContact CG-CD1 3.88Å; L75-L79 HydrophobicContact CG-CG 4.33Å; L75-L79 WeakPolarHBondContact O-CB 3.29Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 3.21Å; L75-L123 HydrophobicContact CB-CD2 4.35Å; L75-L123 HydrophobicContact CD2-CD2 4.1Å; L75-L123 HydrophobicContact CG-CD2 4.32Å
76G98.6Very high97.5Very high1 Ų153.5 Ų53.51%0.0126%0.257CS..Hα-helixtrans-60.4-47.8177.800000113E72 R73 T74 I78 L79 S80 L123E72-G76 PolarHBondContact O-N 3.4Å; R73-G76 PolarHBondContact O-N 3.09Å; T74-G76 VanDerWaalsContact C-N 3.35Å; T74-G76 PolarHBondContact O-N 3.12Å; G76-I78 VanDerWaalsContact C-N 3.33Å; G76-I78 PolarHBondContact O-N 3.19Å; G76-L79 PolarHBondContact O-N 2.79Å; G76-S80 PolarHBondContact O-N 3.46Å; G76-S80 PolarHBondContact O-OG 2.63Å; G76-L123 WeakPolarHBondContact CA-O 3.26Å
77R98.4Very high97.6Very high94 Ų9456.2 Ų56.236%0.35528%0.281SS..Hα-helixtrans-57.6-45173.7-75.2-168.9-60.7-93.72.3111.8D42 R73 T74 S80 T81D42-R77 IonicContact OD1-NH2 3.22Å; D42-R77 IonicContact OD2-CZ 3.46Å; D42-R77 IonicContact OD2-NE 3.65Å; D42-R77 PolarHBondContact OD2-NE 3.43Å; D42-R77 IonicContact OD2-NH2 2.83Å; D42-R77 PolarHBondContact OD2-NH2 3.46Å; R73-R77 WeakPolarHBondContact O-CB 3.49Å; R73-R77 WeakPolarHBondContact O-CG 3.48Å; R73-R77 PolarHBondContact O-N 2.91Å; T74-R77 PolarHBondContact O-N 2.95Å; T74-R77 PolarHBondContact OG1-NH2 2.76Å; R77-S80 PolarHBondContact O-OG 3.15Å; R77-S80 VanDerWaalsContact O-OG 3.06Å; R77-T81 VanDerWaalsContact O-CG2 3.28Å; R77-T81 WeakPolarHBondContact O-CG2 3.47Å; R77-T81 PolarHBondContact O-N 3.24Å
78I98.5Very high97.8Very high8 Ų856.3 Ų56.34%0.04128%0.282CS..Hα-helixtrans-62.1-54.2178.8-66.8161.7000109.4F36 A45 D46 V49 T74 L75 G76 S80 T81 K82F36-I78 HydrophobicContact CD2-CD1 4.36Å; F36-I78 HydrophobicContact CE2-CD1 3.92Å; A45-I78 HydrophobicContact CB-CD1 3.78Å; D46-I78 HydrophobicContact CB-CD1 4.36Å; D46-I78 HydrophobicContact CB-CG1 4.14Å; D46-I78 HydrophobicContact CB-CG2 4.48Å; V49-I78 HydrophobicContact CB-CG2 3.88Å; V49-I78 HydrophobicContact CG1-CG2 3.79Å; V49-I78 HydrophobicContact CG2-CD1 4.19Å; V49-I78 HydrophobicContact CG2-CG2 4.19Å; T74-I78 HydrophobicContact CG2-CD1 3.92Å; T74-I78 WeakPolarHBondContact O-CD1 3.38Å; T74-I78 VanDerWaalsContact O-CG1 3.27Å; T74-I78 WeakPolarHBondContact O-CG1 3.26Å; T74-I78 PolarHBondContact O-N 3.45Å; L75-I78 PolarHBondContact O-N 3.09Å; G76-I78 VanDerWaalsContact C-N 3.33Å; G76-I78 PolarHBondContact O-N 3.19Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 2.75Å; I78-T81 PolarHBondContact O-N 3.46Å; I78-T81 VanDerWaalsContact O-N 3.08Å; I78-T81 PolarHBondContact O-OG1 2.79Å; I78-K82 HydrophobicContact CG2-CG 4.36Å; I78-K82 WeakPolarHBondContact O-CG 3.35Å; I78-K82 PolarHBondContact O-N 2.91Å
79L98.3Very high98Very high6 Ų650 Ų503%0.03125%0.247CC..Hα-helixtrans-58.7-39.3-176.3-69.4173.5000112.8L75 G76 T81 K82 W84 Y89 V91L75-L79 HydrophobicContact CD1-CD1 4.01Å; L75-L79 HydrophobicContact CD1-CG 4.06Å; L75-L79 HydrophobicContact CG-CD1 3.88Å; L75-L79 HydrophobicContact CG-CG 4.33Å; L75-L79 WeakPolarHBondContact O-CB 3.29Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 3.21Å; G76-L79 PolarHBondContact O-N 2.79Å; L79-T81 VanDerWaalsContact C-N 3.27Å; L79-T81 PolarHBondContact O-N 2.95Å; L79-K82 PolarHBondContact O-N 2.95Å; L79-W84 HydrophobicContact CD2-CE3 4.18Å; L79-W84 HydrophobicContact CD2-CZ3 4.12Å; L79-Y89 HydrophobicContact CD1-CE2 3.92Å; L79-Y89 HydrophobicContact CD2-CD2 4.4Å; L79-Y89 HydrophobicContact CD2-CE2 4.15Å; L79-V91 HydrophobicContact CD1-CG2 4.1Å
80S97.3Very high98.1Very high72 Ų7250.4 Ų50.450%0.50325%0.249SC..Hα-helixtrans-66.7-26.9179.269.50000113.3G76 R77 I78G76-S80 PolarHBondContact O-N 3.46Å; G76-S80 PolarHBondContact O-OG 2.63Å; R77-S80 PolarHBondContact O-OG 3.15Å; R77-S80 VanDerWaalsContact O-OG 3.06Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 2.75Å
81T97.8Very high98.2Very high98 Ų9847.2 Ų47.260%0.60123%0.234SC*.Hα-helixtrans-83.9-18.9178.564.90000114.2R77 I78 L79 N83R77-T81 VanDerWaalsContact O-CG2 3.28Å; R77-T81 WeakPolarHBondContact O-CG2 3.47Å; R77-T81 PolarHBondContact O-N 3.24Å; I78-T81 PolarHBondContact O-N 3.46Å; I78-T81 VanDerWaalsContact O-N 3.08Å; I78-T81 PolarHBondContact O-OG1 2.79Å; L79-T81 VanDerWaalsContact C-N 3.27Å; L79-T81 PolarHBondContact O-N 2.95Å; T81-N83 VanDerWaalsContact C-N 3.34Å; T81-N83 PolarHBondContact O-N 2.94Å
82K96.9Very high98.2Very high46 Ų4647.2 Ų47.220%0.223%0.234CC..THydrogen-bonded Turntrans-77.3-15.9-172-66-66163-167.50115.1D46 T50 I78 L79 W84D46-K82 IonicContact OD1-NZ 3.08Å; D46-K82 PolarHBondContact OD1-NZ 3.34Å; D46-K82 WeakPolarHBondContact OD2-CE 3.46Å; D46-K82 IonicContact OD2-NZ 2.67Å; D46-K82 PolarHBondContact OD2-NZ 2.87Å; T50-K82 VanDerWaalsContact OG1-CE 3.26Å; T50-K82 WeakPolarHBondContact OG1-CE 3.38Å; T50-K82 PolarHBondContact OG1-NZ 3.38Å; I78-K82 HydrophobicContact CG2-CG 4.36Å; I78-K82 WeakPolarHBondContact O-CG 3.35Å; I78-K82 PolarHBondContact O-N 2.91Å; L79-K82 PolarHBondContact O-N 2.95Å; K82-W84 HydrophobicContact CB-CD2 3.46Å; K82-W84 VanDerWaalsContact CB-CD2 3.46Å; K82-W84 HydrophobicContact CB-CE3 3.76Å; K82-W84 HydrophobicContact CB-CG 3.81Å; K82-W84 HydrophobicContact CB-CH2 4.24Å; K82-W84 HydrophobicContact CB-CZ2 3.98Å; K82-W84 HydrophobicContact CB-CZ3 4.15Å; K82-W84 HydrophobicContact CD-CH2 3.9Å; K82-W84 HydrophobicContact CD-CZ2 3.69Å; K82-W84 HydrophobicContact CG-CD2 4.03Å; K82-W84 HydrophobicContact CG-CE3 3.97Å; K82-W84 HydrophobicContact CG-CH2 3.71Å; K82-W84 HydrophobicContact CG-CZ2 3.77Å; K82-W84 HydrophobicContact CG-CZ3 3.82Å; K82-W84 PolarHBondContact O-N 3.46Å; K82-W84 VanDerWaalsContact O-N 3.15Å
83N95.6Very high98.2Very high157 Ų15747.2 Ų47.284%0.8423%0.234SC*.THydrogen-bonded Turntrans52.630-172.5-16331.5000113.1T81T81-N83 VanDerWaalsContact C-N 3.34Å; T81-N83 PolarHBondContact O-N 2.94Å
84W98.2Very high98.2Very high51 Ų5144.5 Ų44.519%0.19322%0.224CC..  trans-78.6145.3171.8-63.2-24.7000109.8V49 Y53 F60 L79 K82 R86 Y89V49-W84 HydrophobicContact CG1-CH2 3.91Å; V49-W84 HydrophobicContact CG1-CZ3 3.79Å; Y53-W84 AromaticContact CD1-CD2 3.74Å; Y53-W84 HydrophobicContact CD1-CD2 3.74Å; Y53-W84 AromaticContact CD1-CE2 3.33Å; Y53-W84 HydrophobicContact CD1-CE3 4.22Å; Y53-W84 HydrophobicContact CD1-CG 4.31Å; Y53-W84 HydrophobicContact CD1-CH2 4.01Å; Y53-W84 AromaticContact CD1-CZ2 3.49Å; Y53-W84 HydrophobicContact CD1-CZ2 3.49Å; Y53-W84 VanDerWaalsContact CD1-CZ2 3.49Å; Y53-W84 HydrophobicContact CD1-CZ3 4.33Å; Y53-W84 AromaticContact CD1-NE1 3.68Å; Y53-W84 AromaticContact CD2-CD2 3.87Å; Y53-W84 HydrophobicContact CD2-CD2 3.87Å; Y53-W84 AromaticContact CD2-CE3 3.61Å; Y53-W84 HydrophobicContact CD2-CE3 3.61Å; Y53-W84 HydrophobicContact CD2-CH2 4.17Å; Y53-W84 HydrophobicContact CD2-CZ2 4.41Å; Y53-W84 AromaticContact CD2-CZ3 3.77Å; Y53-W84 HydrophobicContact CD2-CZ3 3.77Å; Y53-W84 AromaticContact CE1-CD1 3.72Å; Y53-W84 AromaticContact CE1-CD2 3.75Å; Y53-W84 HydrophobicContact CE1-CD2 3.75Å; Y53-W84 AromaticContact CE1-CE2 3.62Å; Y53-W84 HydrophobicContact CE1-CE3 4.48Å; Y53-W84 AromaticContact CE1-CG 3.82Å; Y53-W84 HydrophobicContact CE1-CG 3.82Å; Y53-W84 HydrophobicContact CE1-CZ2 4.26Å; Y53-W84 AromaticContact CE1-NE1 3.58Å; Y53-W84 HydrophobicContact CE2-CB 4.41Å; Y53-W84 AromaticContact CE2-CD2 3.87Å; Y53-W84 HydrophobicContact CE2-CD2 3.87Å; Y53-W84 AromaticContact CE2-CE3 3.89Å; Y53-W84 HydrophobicContact CE2-CE3 3.89Å; Y53-W84 HydrophobicContact CE2-CG 4.12Å; Y53-W84 AromaticContact CG-CD2 3.8Å; Y53-W84 HydrophobicContact CG-CD2 3.8Å; Y53-W84 AromaticContact CG-CE2 3.68Å; Y53-W84 AromaticContact CG-CE3 3.78Å; Y53-W84 HydrophobicContact CG-CE3 3.78Å; Y53-W84 AromaticContact CG-CH2 3.56Å; Y53-W84 HydrophobicContact CG-CH2 3.56Å; Y53-W84 AromaticContact CG-CZ2 3.58Å; Y53-W84 HydrophobicContact CG-CZ2 3.58Å; Y53-W84 AromaticContact CG-CZ3 3.66Å; Y53-W84 HydrophobicContact CG-CZ3 3.66Å; Y53-W84 AromaticContact CZ-CD2 3.8Å; Y53-W84 AromaticContact CZ-CG 3.71Å; F60-W84 HydrophobicContact CZ-CZ3 4.49Å; L79-W84 HydrophobicContact CD2-CE3 4.18Å; L79-W84 HydrophobicContact CD2-CZ3 4.12Å; K82-W84 HydrophobicContact CB-CD2 3.46Å; K82-W84 VanDerWaalsContact CB-CD2 3.46Å; K82-W84 HydrophobicContact CB-CE3 3.76Å; K82-W84 HydrophobicContact CB-CG 3.81Å; K82-W84 HydrophobicContact CB-CH2 4.24Å; K82-W84 HydrophobicContact CB-CZ2 3.98Å; K82-W84 HydrophobicContact CB-CZ3 4.15Å; K82-W84 HydrophobicContact CD-CH2 3.9Å; K82-W84 HydrophobicContact CD-CZ2 3.69Å; K82-W84 HydrophobicContact CG-CD2 4.03Å; K82-W84 HydrophobicContact CG-CE3 3.97Å; K82-W84 HydrophobicContact CG-CH2 3.71Å; K82-W84 HydrophobicContact CG-CZ2 3.77Å; K82-W84 HydrophobicContact CG-CZ3 3.82Å; K82-W84 PolarHBondContact O-N 3.46Å; K82-W84 VanDerWaalsContact O-N 3.15Å; W84-R86 PolarHBondContact O-N 2.8Å; W84-Y89 HydrophobicContact CB-CD1 4.29Å; W84-Y89 HydrophobicContact CB-CE1 4.18Å
85R98.2Very high98.1Very high182 Ų18244.5 Ų44.569%0.68722%0.224SC*.  trans-62.8125.8174.1-62.3-176.7-65.51510.3108.8S87 S88R85-S87 PolarHBondContact O-N 2.88Å; R85-S88 VanDerWaalsContact O-CB 3.3Å; R85-S88 WeakPolarHBondContact O-CB 3.36Å; R85-S88 PolarHBondContact O-N 3.07Å; R85-S88 PolarHBondContact O-OG 3.41Å
86R98.5Very high97.7Very high45 Ų4546.2 Ų46.217%0.1724%0.236CC..G310 helixtrans-51.3-33.2175.7178.261-173.790.9-7.4112.7W84 S88 Y89 Y127 D129W84-R86 PolarHBondContact O-N 2.8Å; R86-S88 PolarHBondContact O-N 3.2Å; R86-Y89 VanDerWaalsContact CD-OH 3.28Å; R86-Y89 WeakPolarHBondContact CD-OH 3.34Å; R86-Y89 PolarHBondContact NH1-O 2.89Å; R86-Y127 HydrophobicContact CG-CE1 4.32Å; R86-Y127 HydrophobicContact CG-CE2 4.39Å; R86-Y127 VanDerWaalsContact CG-OH 3.29Å; R86-Y127 WeakPolarHBondContact CG-OH 3.07Å; R86-Y127 PolarHBondContact NH2-O 2.96Å; R86-D129 IonicContact CZ-OD2 2.76Å; R86-D129 VanDerWaalsContact CZ-OD2 3.22Å; R86-D129 IonicContact NH1-OD1 2.83Å; R86-D129 IonicContact NH1-OD2 2.7Å; R86-D129 PolarHBondContact NH1-OD2 3.01Å; R86-D129 IonicContact NH2-OD2 3.22Å; R86-D129 PolarHBondContact NH2-OD2 2.91Å
87S98.2Very high97.3Very high94 Ų9450.3 Ų50.366%0.65725%0.253SS*.G310 helixtrans-71.4-3.6176.971.80000115.2R85R85-S87 PolarHBondContact O-N 2.88Å
88S98.4Very high96.7Very high30 Ų3047.8 Ų47.821%0.2125%0.25CS..G310 helixtrans-100-12.2-17770.60000113.9Y53 R85 R86Y53-S88 WeakPolarHBondContact OH-CB 3.48Å; Y53-S88 PolarHBondContact OH-OG 3.43Å; R85-S88 VanDerWaalsContact O-CB 3.3Å; R85-S88 WeakPolarHBondContact O-CB 3.36Å; R85-S88 PolarHBondContact O-N 3.07Å; R85-S88 PolarHBondContact O-OG 3.41Å; R86-S88 PolarHBondContact O-N 3.2Å
89Y98.8Very high96.3Very high14 Ų1448.3 Ų48.36%0.05526%0.257CS..  trans-133.5161.9179.361.8-95.4000111N58 F60 L79 W84 R86 V91N58-Y89 CarbonylContact O-C 3.57Å; N58-Y89 WeakPolarHBondContact O-CA 3.38Å; F60-Y89 HydrophobicContact CD2-CD2 4.46Å; F60-Y89 HydrophobicContact CE2-CG 4.44Å; L79-Y89 HydrophobicContact CD1-CE2 3.92Å; L79-Y89 HydrophobicContact CD2-CD2 4.4Å; L79-Y89 HydrophobicContact CD2-CE2 4.15Å; W84-Y89 HydrophobicContact CB-CD1 4.29Å; W84-Y89 HydrophobicContact CB-CE1 4.18Å; R86-Y89 VanDerWaalsContact CD-OH 3.28Å; R86-Y89 WeakPolarHBondContact CD-OH 3.34Å; R86-Y89 PolarHBondContact NH1-O 2.89Å; Y89-V91 HydrophobicContact CD2-CG2 3.82Å; Y89-V91 HydrophobicContact CE2-CG2 3.75Å
90I98.9Very high96Very high7 Ų755 Ų554%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-120.1124.1-174.1-64.1172.9000106.4L23 R24 V25 N58 V59 F60 D129 I130L23-I90 HydrophobicContact CD1-CD1 3.65Å; L23-I90 HydrophobicContact CD1-CG1 4.11Å; L23-I90 HydrophobicContact CD2-CD1 4.09Å; L23-I90 HydrophobicContact CD2-CG2 4.31Å; L23-I90 HydrophobicContact CG-CD1 3.79Å; R24-I90 WeakPolarHBondContact O-CD1 3.45Å; V25-I90 HydrophobicContact CG1-CD1 3.82Å; N58-I90 WeakPolarHBondContact O-CA 3.28Å; N58-I90 WeakPolarHBondContact O-CB 3.24Å; N58-I90 PolarHBondContact O-N 3.29Å; V59-I90 WeakPolarHBondContact CA-O 3.16Å; V59-I90 HydrophobicContact CB-CB 4.46Å; V59-I90 HydrophobicContact CG1-CG2 4.14Å; V59-I90 HydrophobicContact CG2-CB 4.1Å; V59-I90 HydrophobicContact CG2-CD1 4.15Å; V59-I90 HydrophobicContact CG2-CG2 4.2Å; F60-I90 PolarHBondContact N-O 2.85Å; I90-D129 VanDerWaalsContact CA-OD2 3.28Å; I90-D129 WeakPolarHBondContact CA-OD2 3.39Å; I90-D129 HydrophobicContact CB-CB 4.29Å; I90-D129 HydrophobicContact CG2-CB 3.62Å; I90-I130 HydrophobicContact CG2-CD1 3.86Å; I90-I130 HydrophobicContact CG2-CG1 4.23Å
91V98.9Very high95.9Very high0 Ų053.8 Ų53.80%029%0.287CS..EExtended strand (participates in β ladder)trans-103.8122.6171.3-177.40000108.8F60 L79 Y89 L123 L125 V128 D129 I130F60-V91 WeakPolarHBondContact O-CA 3.28Å; L79-V91 HydrophobicContact CD1-CG2 4.1Å; Y89-V91 HydrophobicContact CD2-CG2 3.82Å; Y89-V91 HydrophobicContact CE2-CG2 3.75Å; V91-L123 HydrophobicContact CG1-CD1 4.13Å; V91-L123 HydrophobicContact CG1-CD2 4.49Å; V91-L125 HydrophobicContact CB-CD1 4.22Å; V91-L125 HydrophobicContact CG1-CD1 4.26Å; V91-L125 HydrophobicContact CG2-CD1 3.78Å; V91-V128 HydrophobicContact CB-CG1 4.46Å; V91-V128 HydrophobicContact CG1-CB 4.48Å; V91-V128 HydrophobicContact CG1-CG1 4Å; V91-D129 PolarHBondContact N-OD2 3.05Å; V91-D129 PolarHBondContact O-N 3.41Å; V91-I130 PolarHBondContact O-N 3.25Å; V91-I130 VanDerWaalsContact O-N 3.13Å
92C98.8Very high95.6Very high0 Ų056.4 Ų56.40%029%0.293CS..EExtended strand (participates in β ladder)trans-107.8115.7176.7-177.20000108.3V59 F60 E61 T62 I130 I132V59-C92 HydrophobicContact CG1-CB 4.28Å; F60-C92 PolarHBondContact O-N 2.61Å; E61-C92 CarbonylContact C-O 3.59Å; E61-C92 VanDerWaalsContact CA-O 3.31Å; E61-C92 WeakPolarHBondContact CA-O 3.36Å; E61-C92 HydrophobicContact CB-CB 4.17Å; E61-C92 HydrophobicContact CG-CB 4.17Å; T62-C92 PolarHBondContact N-O 3.11Å; C92-I130 CarbonylContact C-O 3.56Å; C92-I130 WeakPolarHBondContact CA-O 3.42Å; C92-I130 HydrophobicContact CB-CB 4.21Å; C92-I130 HydrophobicContact CB-CD1 4.48Å; C92-I132 VanDerWaalsContact SG-CG1 3.52Å
93C98.6Very high95.5Very high0 Ų057.8 Ų57.80%031%0.305CS..EExtended strand (participates in β ladder)trans-115.4127-175-175.50000110.5T62 E72 V128 I130 M131 I132T62-C93 CarbonylContact O-C 3.54Å; T62-C93 WeakPolarHBondContact O-CA 3.45Å; E72-C93 PolarHBondContact OE1-SG 3.35Å; C93-V128 HydrophobicContact CB-CB 4.17Å; C93-V128 HydrophobicContact CB-CG1 3.83Å; C93-V128 HydrophobicContact CB-CG2 4.13Å; C93-I130 PolarHBondContact N-O 2.83Å; C93-M131 CarbonylContact O-C 3.54Å; C93-M131 WeakPolarHBondContact O-CA 3.38Å; C93-I132 PolarHBondContact O-N 3.38Å
94R98.1Very high95.4Very high30 Ų3054 Ų5411%0.11328%0.282CS..EExtended strand (participates in β ladder)trans-96.1130.4178.6-60.1177.962.188.12.9111E61 T62 G63 E64 Y66 I132 T134 S165E61-R94 WeakPolarHBondContact OE1-CD 3.42Å; E61-R94 WeakPolarHBondContact OE1-CG 3.45Å; T62-R94 PolarHBondContact O-N 3Å; G63-R94 VanDerWaalsContact CA-O 3.22Å; G63-R94 WeakPolarHBondContact CA-O 3.44Å; E64-R94 PolarHBondContact N-O 2.93Å; Y66-R94 VanDerWaalsContact OH-CD 3.27Å; Y66-R94 WeakPolarHBondContact OH-CD 3.44Å; R94-I132 WeakPolarHBondContact CA-O 3.42Å; R94-I132 HydrophobicContact CB-CB 4.49Å; R94-I132 HydrophobicContact CG-CB 3.93Å; R94-I132 HydrophobicContact CG-CG1 4.49Å; R94-I132 HydrophobicContact CG-CG2 4.17Å; R94-T134 PolarHBondContact NH2-OG1 2.8Å; R94-T134 VanDerWaalsContact NH2-OG1 3.13Å; R94-S165 PolarHBondContact NH1-OG 3.18Å; R94-S165 PolarHBondContact NH2-OG 3.4Å
95L97Very high95.1Very high0 Ų054.7 Ų54.70%029%0.288CS..EExtended strand (participates in β ladder)trans-106137.1172.6-54.6-178.8000110E64 L112 L116 M131 I132 I133 T134E64-L95 HydrophobicContact CB-CD2 4.44Å; E64-L95 HydrophobicContact CG-CD2 4.32Å; E64-L95 WeakPolarHBondContact OE2-CD2 3.37Å; L95-L112 HydrophobicContact CB-CD2 4.38Å; L95-L112 HydrophobicContact CD1-CD2 4.13Å; L95-L116 HydrophobicContact CD1-CB 4.03Å; L95-M131 HydrophobicContact CD1-CG 3.9Å; L95-M131 HydrophobicContact CD1-SD 3.6Å; L95-M131 HydrophobicContact CG-CG 4.26Å; L95-I132 PolarHBondContact N-O 2.67Å; L95-I133 HydrophobicContact CB-CD1 4.34Å; L95-I133 HydrophobicContact CD1-CD1 4.1Å; L95-T134 VanDerWaalsContact O-CB 3.23Å; L95-T134 WeakPolarHBondContact O-CB 3.3Å; L95-T134 PolarHBondContact O-N 2.76Å; L95-T134 PolarHBondContact O-OG1 3.39Å
96S89.6Confident94.6Very high36 Ų3646.8 Ų46.825%0.25226%0.262SS..SBendtrans-155.7-74.9178.256.10000111.5E64 G106 H111E64-S96 PolarHBondContact OE1-N 3.01Å; S96-G106 PolarHBondContact O-N 3.19Å; S96-H111 PolarHBondContact O-NE2 2.75Å
97K89.8Confident94.4Very high86 Ų8644.7 Ų44.737%0.37426%0.255SS..BIsolated β-bridgetrans-141.7120.3-178173.3173.6-176.5-172.20108.4E64 A65 G99 D100 Q105E64-K97 PolarHBondContact OE1-N 3.43Å; E64-K97 VanDerWaalsContact OE1-N 3.12Å; A65-K97 WeakPolarHBondContact CB-O 3.12Å; K97-G99 WeakPolarHBondContact CE-O 3.32Å; K97-G99 WeakPolarHBondContact CG-O 3.31Å; K97-D100 IonicContact NZ-OD1 3.51Å; K97-Q105 HydrophobicContact CB-CB 3.96Å; K97-Q105 HydrophobicContact CD-CB 4.36Å; K97-Q105 HydrophobicContact CG-CB 3.9Å
98S86.8Confident94.3Very high42 Ų4241.6 Ų41.629%0.29423%0.233SC..  trans-102.7-12.6-179.8670000114E64 E104 H111E64-S98 WeakPolarHBondContact OE2-CB 3.41Å; S98-E104 PolarHBondContact N-O 3.23Å; S98-E104 PolarHBondContact OG-O 3.28Å; S98-H111 PolarHBondContact OG-CE1 3.31Å
99G90.1Very high94.3Very high18 Ų1844.5 Ų44.519%0.18624%0.24CC..SBendtrans-168.4-178-175.300000112.7K97 E104K97-G99 WeakPolarHBondContact CE-O 3.32Å; K97-G99 WeakPolarHBondContact CG-O 3.31Å; G99-E104 VanDerWaalsContact C-OE2 3.27Å; G99-E104 VanDerWaalsContact CA-OE2 3.27Å; G99-E104 WeakPolarHBondContact CA-OE2 3.44Å; G99-E104 PolarHBondContact N-O 3.39Å
100D91.4Very high94.2Very high148 Ų14848.3 Ų48.379%0.79126%0.256SS*.SBendtrans-90.2-15.5-171.7-71.1-37.3000113.8K97 E104K97-D100 IonicContact NZ-OD1 3.51Å; D100-E104 PolarHBondContact N-OE2 2.94Å; D100-E104 VanDerWaalsContact N-OE2 3.12Å
101A94.8Very high94.1Very high45 Ų4548 Ų4837%0.37226%0.255SS..SBendtrans-71.2149.4176.900000111.2T103 E104A101-T103 PolarHBondContact O-N 3.15Å; A101-E104 HydrophobicContact CB-CB 4.45Å; A101-E104 HydrophobicContact CB-CG 3.94Å; A101-E104 WeakPolarHBondContact CB-OE2 3.38Å; A101-E104 PolarHBondContact N-OE2 3.28Å; A101-E104 PolarHBondContact O-N 3.47Å
102E92.1Very high94Very high154 Ų15448 Ų4872%0.7226%0.255SS*.G310 helixtrans-55.3-29.4179.5-171.658-149.400113Q105E102-Q105 PolarHBondContact OE2-NE2 3.38Å
103T94.2Very high93.9Very high75 Ų7550.2 Ų50.246%0.4626%0.264SS..G310 helixtrans-89-1.9179.5570000114.7A101A101-T103 PolarHBondContact O-N 3.15Å
104E94.3Very high93.9Very high77 Ų7754.3 Ų54.336%0.3628%0.284SS..G310 helixtrans-101.121.9179.7-64.7175.3144.400112.1S98 G99 D100 A101 H111S98-E104 PolarHBondContact N-O 3.23Å; S98-E104 PolarHBondContact OG-O 3.28Å; G99-E104 VanDerWaalsContact C-OE2 3.27Å; G99-E104 VanDerWaalsContact CA-OE2 3.27Å; G99-E104 WeakPolarHBondContact CA-OE2 3.44Å; G99-E104 PolarHBondContact N-O 3.39Å; D100-E104 PolarHBondContact N-OE2 2.94Å; D100-E104 VanDerWaalsContact N-OE2 3.12Å; A101-E104 HydrophobicContact CB-CB 4.45Å; A101-E104 HydrophobicContact CB-CG 3.94Å; A101-E104 WeakPolarHBondContact CB-OE2 3.38Å; A101-E104 PolarHBondContact N-OE2 3.28Å; A101-E104 PolarHBondContact O-N 3.47Å; E104-H111 PolarHBondContact O-CE1 2.76Å; E104-H111 PolarHBondContact O-ND1 3.31Å
105Q90.8Very high93.9Very high66 Ų6652.9 Ų52.931%0.30828%0.278SS..BIsolated β-bridgetrans-145.2160.417862.6-178.30.200112.7K97 E102 H111K97-Q105 HydrophobicContact CB-CB 3.96Å; K97-Q105 HydrophobicContact CD-CB 4.36Å; K97-Q105 HydrophobicContact CG-CB 3.9Å; E102-Q105 PolarHBondContact OE2-NE2 3.38Å; Q105-H111 PolarHBondContact N-ND1 2.78Å
106G89.3Confident93.9Very high15 Ų1552.9 Ų52.916%0.15528%0.278CS..SBendtrans90.8-148.4168.700000113.3S96 H111S96-G106 PolarHBondContact O-N 3.19Å; G106-H111 PolarHBondContact O-CD2 3.17Å
107L94.6Very high94.3Very high1 Ų157.9 Ų57.91%0.00529%0.292CS..SBendtrans-1218.7-164.6-62-174.1000113.7I133 T134 R135 I141 V146 W167L107-I133 HydrophobicContact CD2-CG2 3.23Å; L107-T134 WeakPolarHBondContact CD2-O 3.45Å; L107-R135 HydrophobicContact CD1-CB 3.9Å; L107-R135 HydrophobicContact CD1-CG 3.69Å; L107-I141 HydrophobicContact CB-CB 3.93Å; L107-I141 HydrophobicContact CB-CG1 4.04Å; L107-I141 HydrophobicContact CB-CG2 3.96Å; L107-V146 HydrophobicContact CB-CG2 3.88Å; L107-V146 HydrophobicContact CD1-CG2 4.26Å; L107-W167 HydrophobicContact CD1-CZ2 4.4Å
108S95.5Very high94.7Very high29 Ų2955.7 Ų55.720%0.20329%0.287CS..  trans-63.1151.5-179.671.50000110.8K110 H111 L112 E145S108-K110 PolarHBondContact O-N 2.87Å; S108-H111 PolarHBondContact O-N 2.99Å; S108-H111 PolarHBondContact OG-N 3.42Å; S108-H111 VanDerWaalsContact OG-N 3.15Å; S108-L112 WeakPolarHBondContact O-CG 3.38Å; S108-L112 PolarHBondContact O-N 2.89Å; S108-E145 WeakPolarHBondContact CA-OE1 3.38Å
109R97Very high95.3Very high92 Ų9253.7 Ų53.735%0.34727%0.273SS..Hα-helixtrans-52.6-39.9174.7178173.2-179.582.42.3112.2F113 E145 T149 H152R109-F113 WeakPolarHBondContact O-CB 3.4Å; R109-F113 PolarHBondContact O-N 2.98Å; R109-E145 HydrophobicContact CB-CG 4.25Å; R109-E145 PolarHBondContact N-OE1 3.43Å; R109-T149 HydrophobicContact CB-CG2 4.37Å; R109-T149 WeakPolarHBondContact CB-OG1 3.46Å; R109-T149 HydrophobicContact CG-CG2 3.99Å; R109-T149 WeakPolarHBondContact CG-OG1 3.35Å; R109-T149 PolarHBondContact NH1-OG1 3.06Å; R109-H152 PolarHBondContact NH2-CE1 2.97Å; R109-H152 VanDerWaalsContact NH2-CG 3.33Å; R109-H152 PolarHBondContact NH2-ND1 2.62Å; R109-H152 VanDerWaalsContact NH2-ND1 3.16Å
110K97.2Very high95.7Very high93 Ų9353.4 Ų53.440%0.40427%0.267SS..Hα-helixtrans-60.2-56178175175.616660.70110.8S108 L112 F113 E114S108-K110 PolarHBondContact O-N 2.87Å; K110-L112 PolarHBondContact O-N 3.45Å; K110-F113 PolarHBondContact O-N 3.45Å; K110-E114 WeakPolarHBondContact CE-OE2 2.82Å; K110-E114 WeakPolarHBondContact CG-OE2 3.37Å; K110-E114 IonicContact NZ-OE1 2.68Å; K110-E114 PolarHBondContact NZ-OE1 2.86Å; K110-E114 IonicContact NZ-OE2 2.74Å; K110-E114 PolarHBondContact NZ-OE2 3.33Å; K110-E114 WeakPolarHBondContact O-CB 3.4Å; K110-E114 WeakPolarHBondContact O-CG 3.46Å; K110-E114 PolarHBondContact O-N 3.3Å
111H96.9Very high96.1Very high1 Ų152.2 Ų52.21%0.00526%0.257CS..Hα-helixtrans-62-45.4-178.1-177.160.3000111.8E64 S96 S98 E104 Q105 G106 S108 F113 E114 G115E64-H111 IonicContact OE1-CE1 2.73Å; E64-H111 PolarHBondContact OE1-CE1 3.08Å; E64-H111 IonicContact OE1-NE2 3.35Å; E64-H111 PolarHBondContact OE1-NE2 3.3Å; E64-H111 IonicContact OE2-CE1 3.52Å; E64-H111 IonicContact OE2-NE2 3.61Å; S96-H111 PolarHBondContact O-NE2 2.75Å; S98-H111 PolarHBondContact OG-CE1 3.31Å; E104-H111 PolarHBondContact O-CE1 2.76Å; E104-H111 PolarHBondContact O-ND1 3.31Å; Q105-H111 PolarHBondContact N-ND1 2.78Å; G106-H111 PolarHBondContact O-CD2 3.17Å; S108-H111 PolarHBondContact O-N 2.99Å; S108-H111 PolarHBondContact OG-N 3.42Å; S108-H111 VanDerWaalsContact OG-N 3.15Å; H111-F113 PolarHBondContact O-N 3.35Å; H111-E114 PolarHBondContact O-N 3.25Å; H111-G115 WeakPolarHBondContact O-CA 3.05Å; H111-G115 PolarHBondContact O-N 3.05Å
112L97.4Very high96.2Very high0 Ų051.7 Ų51.70%025%0.245CC..Hα-helixtrans-61.5-34.3-179.5-64.4-174.8000112.6L95 S108 K110 L116 I133 V146 T149 L153L95-L112 HydrophobicContact CB-CD2 4.38Å; L95-L112 HydrophobicContact CD1-CD2 4.13Å; S108-L112 WeakPolarHBondContact O-CG 3.38Å; S108-L112 PolarHBondContact O-N 2.89Å; K110-L112 PolarHBondContact O-N 3.45Å; L112-L116 VanDerWaalsContact O-CB 3.28Å; L112-L116 WeakPolarHBondContact O-CB 3.35Å; L112-L116 PolarHBondContact O-N 2.95Å; L112-I133 HydrophobicContact CD1-CD1 4.37Å; L112-I133 HydrophobicContact CD2-CD1 3.72Å; L112-V146 HydrophobicContact CD1-CG1 4.16Å; L112-T149 HydrophobicContact CB-CG2 3.78Å; L112-T149 HydrophobicContact CD1-CG2 4.06Å; L112-L153 HydrophobicContact CB-CD1 4.43Å
113F97.4Very high96.5Very high47 Ų4744.4 Ų44.421%0.20621%0.211CC..Hα-helixtrans-70.8-52174.2-120.3-86.2000112.5R109 K110 H111 R117 T149 H152 L153 L156 W158R109-F113 WeakPolarHBondContact O-CB 3.4Å; R109-F113 PolarHBondContact O-N 2.98Å; K110-F113 PolarHBondContact O-N 3.45Å; H111-F113 PolarHBondContact O-N 3.35Å; F113-R117 VanDerWaalsContact O-CB 3.29Å; F113-R117 WeakPolarHBondContact O-CB 3.22Å; F113-R117 PolarHBondContact O-N 3.38Å; F113-T149 HydrophobicContact CD2-CG2 4.4Å; F113-H152 AromaticContact CE2-CD2 3.39Å; F113-H152 WeakPolarHBondContact CE2-CD2 3.19Å; F113-H152 AromaticContact CE2-NE2 3.87Å; F113-H152 AromaticContact CZ-CD2 3.37Å; F113-H152 WeakPolarHBondContact CZ-CD2 3.23Å; F113-H152 AromaticContact CZ-NE2 3.54Å; F113-L153 HydrophobicContact CD1-CD2 4.07Å; F113-L153 HydrophobicContact CD2-CD2 3.71Å; F113-L153 HydrophobicContact CD2-CG 4.43Å; F113-L153 HydrophobicContact CE1-CD2 4.11Å; F113-L153 HydrophobicContact CE2-CD2 3.76Å; F113-L153 HydrophobicContact CE2-CG 4.47Å; F113-L153 HydrophobicContact CG-CD2 3.89Å; F113-L153 HydrophobicContact CZ-CD2 4Å; F113-L156 HydrophobicContact CE1-CD1 3.52Å; F113-L156 HydrophobicContact CE2-CD1 4.39Å; F113-L156 HydrophobicContact CZ-CD1 3.29Å; F113-W158 HydrophobicContact CD1-CE3 4.45Å; F113-W158 AromaticContact CD1-CH2 3.7Å; F113-W158 HydrophobicContact CD1-CH2 3.7Å; F113-W158 AromaticContact CD1-CZ3 3.46Å; F113-W158 HydrophobicContact CD1-CZ3 3.46Å; F113-W158 VanDerWaalsContact CD1-CZ3 3.46Å; F113-W158 HydrophobicContact CE1-CE3 4.47Å; F113-W158 AromaticContact CE1-CH2 3.63Å; F113-W158 HydrophobicContact CE1-CH2 3.63Å; F113-W158 HydrophobicContact CE1-CZ2 4.42Å; F113-W158 AromaticContact CE1-CZ3 3.66Å; F113-W158 HydrophobicContact CE1-CZ3 3.66Å; F113-W158 HydrophobicContact CG-CZ3 4.44Å
114E97.5Very high96.8Very high86 Ų8646 Ų4640%0.40221%0.214SC..Hα-helixtrans-72-39.6-173.6-69.9177.3169.900111.5K110 H111 R117 S118K110-E114 WeakPolarHBondContact CE-OE2 2.82Å; K110-E114 WeakPolarHBondContact CG-OE2 3.37Å; K110-E114 IonicContact NZ-OE1 2.68Å; K110-E114 PolarHBondContact NZ-OE1 2.86Å; K110-E114 IonicContact NZ-OE2 2.74Å; K110-E114 PolarHBondContact NZ-OE2 3.33Å; K110-E114 WeakPolarHBondContact O-CB 3.4Å; K110-E114 WeakPolarHBondContact O-CG 3.46Å; K110-E114 PolarHBondContact O-N 3.3Å; H111-E114 PolarHBondContact O-N 3.25Å; E114-R117 PolarHBondContact O-N 2.98Å; E114-S118 VanDerWaalsContact O-CB 3.3Å; E114-S118 WeakPolarHBondContact O-CB 3.22Å; E114-S118 PolarHBondContact O-N 3.07Å; E114-S118 PolarHBondContact O-OG 2.95Å
115G97.6Very high97Very high0 Ų043.7 Ų43.70%020%0.203CC..Hα-helixtrans-62.3-49.3174.100000111.9E64 H111 R117 S118 S119E64-G115 VanDerWaalsContact OE2-CA 3.3Å; E64-G115 WeakPolarHBondContact OE2-CA 3.46Å; H111-G115 WeakPolarHBondContact O-CA 3.05Å; H111-G115 PolarHBondContact O-N 3.05Å; G115-R117 PolarHBondContact O-N 3.3Å; G115-S118 PolarHBondContact O-N 3.47Å; G115-S119 WeakPolarHBondContact O-CB 3.42Å; G115-S119 PolarHBondContact O-N 3.14Å; G115-S119 PolarHBondContact O-OG 3.04Å
116L98.3Very high97.3Very high0 Ų048.5 Ų48.50%023%0.226CC..Hα-helixtrans-63.3-44.8176.5-175.158.2000111.6L95 L112 S118 S119 L120 V128 M131 L153 W158L95-L116 HydrophobicContact CD1-CB 4.03Å; L112-L116 VanDerWaalsContact O-CB 3.28Å; L112-L116 WeakPolarHBondContact O-CB 3.35Å; L112-L116 PolarHBondContact O-N 2.95Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 3.3Å; L116-S119 WeakPolarHBondContact O-CB 3.27Å; L116-S119 PolarHBondContact O-N 3.37Å; L116-S119 VanDerWaalsContact O-N 3.17Å; L116-L120 HydrophobicContact CD1-CG 4.37Å; L116-L120 HydrophobicContact CG-CD1 4.22Å; L116-L120 HydrophobicContact CG-CG 4.39Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 3.19Å; L116-V128 HydrophobicContact CD1-CG2 3.83Å; L116-M131 HydrophobicContact CD2-SD 3.85Å; L116-L153 HydrophobicContact CD2-CB 4.28Å; L116-L153 HydrophobicContact CD2-CD1 3.99Å; L116-L153 HydrophobicContact CD2-CD2 4.28Å; L116-L153 HydrophobicContact CD2-CG 4.41Å; L116-W158 HydrophobicContact CD2-CB 3.85Å; L116-W158 HydrophobicContact CD2-CE3 4.31Å; L116-W158 HydrophobicContact CG-CE3 4.5Å
117R98.1Very high97.8Very high141 Ų14150 Ų5053%0.53223%0.227SC..Hα-helixtrans-57.9-47.1177.5-177.3178.7179.4158.55.7111.5F113 E114 G115 S119 L120 E121 W158F113-R117 VanDerWaalsContact O-CB 3.29Å; F113-R117 WeakPolarHBondContact O-CB 3.22Å; F113-R117 PolarHBondContact O-N 3.38Å; E114-R117 PolarHBondContact O-N 2.98Å; G115-R117 PolarHBondContact O-N 3.3Å; R117-S119 VanDerWaalsContact C-N 3.28Å; R117-S119 PolarHBondContact O-N 3.32Å; R117-L120 WeakPolarHBondContact O-CB 3.34Å; R117-L120 PolarHBondContact O-N 3.36Å; R117-E121 IonicContact NE-OE1 2.76Å; R117-E121 PolarHBondContact NE-OE1 3.41Å; R117-E121 WeakPolarHBondContact O-CG 3.19Å; R117-E121 PolarHBondContact O-N 3.1Å; R117-W158 HydrophobicContact CB-CH2 4.11Å; R117-W158 HydrophobicContact CB-CZ3 3.84Å; R117-W158 HydrophobicContact CG-CH2 4.3Å; R117-W158 HydrophobicContact CG-CZ3 4.5Å
118S98.1Very high98Very high39 Ų3949.9 Ų49.927%0.27323%0.227SC..Hα-helixtrans-64.1-36.8178.3-56.30000111.6E114 G115 L116 E121 R122E114-S118 VanDerWaalsContact O-CB 3.3Å; E114-S118 WeakPolarHBondContact O-CB 3.22Å; E114-S118 PolarHBondContact O-N 3.07Å; E114-S118 PolarHBondContact O-OG 2.95Å; G115-S118 PolarHBondContact O-N 3.47Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 3.3Å; S118-E121 PolarHBondContact O-N 3.08Å; S118-R122 WeakPolarHBondContact O-CG 3.37Å; S118-R122 PolarHBondContact O-N 3.35Å
119S98.6Very high98.1Very high0 Ų049 Ų490%022%0.22CC..Hα-helixtrans-65.8-43.1175.9-54.40000111.3E72 G115 L116 R117 E121 R122 L123E72-S119 WeakPolarHBondContact OE1-CB 3.22Å; E72-S119 PolarHBondContact OE1-OG 3.08Å; G115-S119 WeakPolarHBondContact O-CB 3.42Å; G115-S119 PolarHBondContact O-N 3.14Å; G115-S119 PolarHBondContact O-OG 3.04Å; L116-S119 WeakPolarHBondContact O-CB 3.27Å; L116-S119 PolarHBondContact O-N 3.37Å; L116-S119 VanDerWaalsContact O-N 3.17Å; R117-S119 VanDerWaalsContact C-N 3.28Å; R117-S119 PolarHBondContact O-N 3.32Å; S119-E121 PolarHBondContact O-N 2.88Å; S119-R122 PolarHBondContact O-N 3.39Å; S119-R122 PolarHBondContact OG-NH2 3.34Å; S119-R122 VanDerWaalsContact OG-NH2 3.09Å; S119-L123 VanDerWaalsContact O-CB 3.26Å; S119-L123 WeakPolarHBondContact O-CB 3.1Å; S119-L123 WeakPolarHBondContact O-CD1 3.39Å; S119-L123 VanDerWaalsContact O-CG 3.24Å; S119-L123 WeakPolarHBondContact O-CG 3.38Å; S119-L123 PolarHBondContact O-N 3.47Å
120L98.7Very high98.2Very high13 Ų1344.7 Ų44.77%0.06820%0.203CC..Hα-helixtrans-60.7-43174.4-71.7173.8000112.2L116 R117 L123 Q124 L125 Y127 V128 W158L116-L120 HydrophobicContact CD1-CG 4.37Å; L116-L120 HydrophobicContact CG-CD1 4.22Å; L116-L120 HydrophobicContact CG-CG 4.39Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 3.19Å; R117-L120 WeakPolarHBondContact O-CB 3.34Å; R117-L120 PolarHBondContact O-N 3.36Å; L120-L123 PolarHBondContact O-N 3.17Å; L120-Q124 PolarHBondContact O-N 3.33Å; L120-L125 WeakPolarHBondContact CB-O 3.32Å; L120-L125 HydrophobicContact CD2-CB 4.34Å; L120-L125 PolarHBondContact O-N 2.87Å; L120-L125 VanDerWaalsContact O-N 3.07Å; L120-Y127 VanDerWaalsContact CD2-CA 3.5Å; L120-V128 HydrophobicContact CD2-CG1 3.89Å; L120-W158 HydrophobicContact CD1-CB 3.94Å; L120-W158 HydrophobicContact CD1-CD2 4.18Å; L120-W158 HydrophobicContact CD1-CE3 4.4Å; L120-W158 HydrophobicContact CD1-CG 3.98Å
121E98.6Very high98.3Very high123 Ų12340.2 Ų40.258%0.57518%0.184SC*.Hα-helixtrans-61.5-46.6175.3-72.9172.6-168.900111.5R117 S118 S119 Q124R117-E121 IonicContact NE-OE1 2.76Å; R117-E121 PolarHBondContact NE-OE1 3.41Å; R117-E121 WeakPolarHBondContact O-CG 3.19Å; R117-E121 PolarHBondContact O-N 3.1Å; S118-E121 PolarHBondContact O-N 3.08Å; S119-E121 PolarHBondContact O-N 2.88Å; E121-Q124 PolarHBondContact O-N 3.2Å
122R98.6Very high98.4Very high34 Ų3440.2 Ų40.213%0.12818%0.184CC..Hα-helixtrans-63.8-40.9176.2-71.7-174.5-61.7-98.90.6112.3E72 R73 S118 S119 Q124E72-R122 HydrophobicContact CB-CB 3.92Å; E72-R122 IonicContact OE2-CZ 3.4Å; E72-R122 IonicContact OE2-NE 2.68Å; E72-R122 PolarHBondContact OE2-NE 3.15Å; E72-R122 IonicContact OE2-NH2 3.43Å; E72-R122 PolarHBondContact OE2-NH2 2.95Å; R73-R122 WeakPolarHBondContact CA-O 3.49Å; R73-R122 HydrophobicContact CG-CB 3.77Å; R73-R122 HydrophobicContact CG-CG 3.8Å; R73-R122 VanDerWaalsContact CZ-CD 3.46Å; S118-R122 WeakPolarHBondContact O-CG 3.37Å; S118-R122 PolarHBondContact O-N 3.35Å; S119-R122 PolarHBondContact O-N 3.39Å; S119-R122 PolarHBondContact OG-NH2 3.34Å; S119-R122 VanDerWaalsContact OG-NH2 3.09Å; R122-Q124 PolarHBondContact O-N 3.31Å
123L98.8Very high98.4Very high1 Ų140.2 Ų40.21%0.00518%0.184CC..Hα-helixtrans-72.7-15.9178-74.5165.7000113.4T62 E72 L75 G76 V91 S119 L120 L125 V128T62-L123 HydrophobicContact CG2-CD1 4.45Å; T62-L123 HydrophobicContact CG2-CD2 4.16Å; E72-L123 HydrophobicContact CB-CD2 4.12Å; E72-L123 HydrophobicContact CB-CG 4.07Å; E72-L123 HydrophobicContact CG-CD2 4.37Å; E72-L123 HydrophobicContact CG-CG 4.31Å; L75-L123 HydrophobicContact CB-CD2 4.35Å; L75-L123 HydrophobicContact CD2-CD2 4.1Å; L75-L123 HydrophobicContact CG-CD2 4.32Å; G76-L123 WeakPolarHBondContact CA-O 3.26Å; V91-L123 HydrophobicContact CG1-CD1 4.13Å; V91-L123 HydrophobicContact CG1-CD2 4.49Å; S119-L123 VanDerWaalsContact O-CB 3.26Å; S119-L123 WeakPolarHBondContact O-CB 3.1Å; S119-L123 WeakPolarHBondContact O-CD1 3.39Å; S119-L123 VanDerWaalsContact O-CG 3.24Å; S119-L123 WeakPolarHBondContact O-CG 3.38Å; S119-L123 PolarHBondContact O-N 3.47Å; L120-L123 PolarHBondContact O-N 3.17Å; L123-L125 VanDerWaalsContact C-N 3.28Å; L123-L125 HydrophobicContact CB-CB 4.24Å; L123-L125 HydrophobicContact CB-CD1 3.96Å; L123-L125 HydrophobicContact CB-CG 3.95Å; L123-L125 HydrophobicContact CD1-CD1 4.46Å; L123-L125 PolarHBondContact O-N 3.07Å; L123-V128 HydrophobicContact CD1-CG1 3.77Å
124Q98.5Very high98.3Very high109 Ų10939.4 Ų39.451%0.50918%0.183SC..THydrogen-bonded Turntrans56.643-171.3-57.9161.269.500111.5L120 E121 R122L120-Q124 PolarHBondContact O-N 3.33Å; E121-Q124 PolarHBondContact O-N 3.2Å; R122-Q124 PolarHBondContact O-N 3.31Å
125L98.6Very high98.2Very high27 Ų2736.2 Ų36.214%0.14117%0.167CC..  trans-125.6148.7-178.8-64.1177.6000111.1V91 L120 L123V91-L125 HydrophobicContact CB-CD1 4.22Å; V91-L125 HydrophobicContact CG1-CD1 4.26Å; V91-L125 HydrophobicContact CG2-CD1 3.78Å; L120-L125 WeakPolarHBondContact CB-O 3.32Å; L120-L125 HydrophobicContact CD2-CB 4.34Å; L120-L125 PolarHBondContact O-N 2.87Å; L120-L125 VanDerWaalsContact O-N 3.07Å; L123-L125 VanDerWaalsContact C-N 3.28Å; L123-L125 HydrophobicContact CB-CB 4.24Å; L123-L125 HydrophobicContact CB-CD1 3.96Å; L123-L125 HydrophobicContact CB-CG 3.95Å; L123-L125 HydrophobicContact CD1-CD1 4.46Å; L123-L125 PolarHBondContact O-N 3.07Å
126E98.4Very high97.8Very high167 Ų16739.3 Ų39.378%0.7819%0.187SC*.SBendtrans-77.7-26.2171.7-62.9179.3168.300112.2
127Y98.8Very high97.2Very high46 Ų4649 Ų4918%0.1823%0.23CC..  trans-152.8156.2179.464.2-95.5000112.6R86 L120 G157 W158 F160R86-Y127 HydrophobicContact CG-CE1 4.32Å; R86-Y127 HydrophobicContact CG-CE2 4.39Å; R86-Y127 VanDerWaalsContact CG-OH 3.29Å; R86-Y127 WeakPolarHBondContact CG-OH 3.07Å; R86-Y127 PolarHBondContact NH2-O 2.96Å; L120-Y127 VanDerWaalsContact CD2-CA 3.5Å; Y127-G157 VanDerWaalsContact CB-O 3.24Å; Y127-G157 WeakPolarHBondContact CB-O 2.92Å; Y127-W158 VanDerWaalsContact CA-O 3.27Å; Y127-W158 WeakPolarHBondContact CA-O 3.43Å; Y127-W158 WeakPolarHBondContact CB-O 3.45Å; Y127-F160 HydrophobicContact CD2-CD2 4.08Å; Y127-F160 AromaticContact CD2-CE2 3.53Å; Y127-F160 HydrophobicContact CD2-CE2 3.53Å; Y127-F160 HydrophobicContact CD2-CZ 4.05Å; Y127-F160 HydrophobicContact CE1-CZ 4.36Å; Y127-F160 HydrophobicContact CE2-CD2 4.08Å; Y127-F160 AromaticContact CE2-CE2 3.23Å; Y127-F160 HydrophobicContact CE2-CE2 3.23Å; Y127-F160 AromaticContact CE2-CZ 3.86Å; Y127-F160 HydrophobicContact CE2-CZ 3.86Å; Y127-F160 HydrophobicContact CG-CE2 4.3Å; Y127-F160 HydrophobicContact CG-CZ 4.39Å; Y127-F160 AromaticContact CZ-CE2 3.78Å
128V98.9Very high96.7Very high0 Ų051.2 Ų51.20%025%0.246CC..EExtended strand (participates in β ladder)trans-106.5143.3163.1-62.90000109.4V91 C93 L116 L120 L123 I130 M131 W158 T159 F160V91-V128 HydrophobicContact CB-CG1 4.46Å; V91-V128 HydrophobicContact CG1-CB 4.48Å; V91-V128 HydrophobicContact CG1-CG1 4Å; C93-V128 HydrophobicContact CB-CB 4.17Å; C93-V128 HydrophobicContact CB-CG1 3.83Å; C93-V128 HydrophobicContact CB-CG2 4.13Å; L116-V128 HydrophobicContact CD1-CG2 3.83Å; L120-V128 HydrophobicContact CD2-CG1 3.89Å; L123-V128 HydrophobicContact CD1-CG1 3.77Å; V128-I130 VanDerWaalsContact C-N 3.34Å; V128-I130 PolarHBondContact O-N 3.01Å; V128-M131 HydrophobicContact CG2-CB 4.47Å; V128-W158 PolarHBondContact N-O 3.05Å; V128-T159 WeakPolarHBondContact O-CA 3.28Å; V128-T159 WeakPolarHBondContact O-CB 3.5Å; V128-T159 PolarHBondContact O-OG1 3.45Å; V128-F160 PolarHBondContact O-N 3.45Å
129D98.9Very high96.2Very high11 Ų1150.5 Ų50.56%0.05924%0.241CC..EExtended strand (participates in β ladder)trans-70.3-37.3-177.1-60.7-100.5000111.5R86 I90 V91 F160 Y161R86-D129 IonicContact CZ-OD2 2.76Å; R86-D129 VanDerWaalsContact CZ-OD2 3.22Å; R86-D129 IonicContact NH1-OD1 2.83Å; R86-D129 IonicContact NH1-OD2 2.7Å; R86-D129 PolarHBondContact NH1-OD2 3.01Å; R86-D129 IonicContact NH2-OD2 3.22Å; R86-D129 PolarHBondContact NH2-OD2 2.91Å; I90-D129 VanDerWaalsContact CA-OD2 3.28Å; I90-D129 WeakPolarHBondContact CA-OD2 3.39Å; I90-D129 HydrophobicContact CB-CB 4.29Å; I90-D129 HydrophobicContact CG2-CB 3.62Å; V91-D129 PolarHBondContact N-OD2 3.05Å; V91-D129 PolarHBondContact O-N 3.41Å; D129-F160 PolarHBondContact O-N 3.39Å; D129-Y161 WeakPolarHBondContact O-CD2 3.39Å; D129-Y161 PolarHBondContact O-N 3.15Å
130I98.8Very high95.7Very high0 Ų055.9 Ų55.90%028%0.279CS..EExtended strand (participates in β ladder)trans-131.6124.3-178-51.9166.8000108.8L18 L23 I90 V91 C92 C93 V128 I132 Y161 V189 M217L18-I130 HydrophobicContact CD2-CD1 3.59Å; L18-I130 HydrophobicContact CD2-CG1 4.13Å; L23-I130 HydrophobicContact CD2-CD1 3.87Å; L23-I130 HydrophobicContact CD2-CG1 3.86Å; I90-I130 HydrophobicContact CG2-CD1 3.86Å; I90-I130 HydrophobicContact CG2-CG1 4.23Å; V91-I130 PolarHBondContact O-N 3.25Å; V91-I130 VanDerWaalsContact O-N 3.13Å; C92-I130 CarbonylContact C-O 3.56Å; C92-I130 WeakPolarHBondContact CA-O 3.42Å; C92-I130 HydrophobicContact CB-CB 4.21Å; C92-I130 HydrophobicContact CB-CD1 4.48Å; C93-I130 PolarHBondContact N-O 2.83Å; V128-I130 VanDerWaalsContact C-N 3.34Å; V128-I130 PolarHBondContact O-N 3.01Å; I130-I132 HydrophobicContact CG2-CD1 3.71Å; I130-I132 HydrophobicContact CG2-CG1 4.09Å; I130-Y161 CarbonylContact C-O 3.57Å; I130-Y161 WeakPolarHBondContact CA-O 3.41Å; I130-V189 HydrophobicContact CG2-CG1 3.76Å; I130-M217 HydrophobicContact CD1-SD 4.34Å
131M98.7Very high95.4Very high0 Ų057.1 Ų57.10%029%0.285CS..EExtended strand (participates in β ladder)trans-102.1120.7168.5-179.6-173.663.100110.1C93 L95 L116 V128 I133 C150 L153 T159 Y161 W162 G163C93-M131 CarbonylContact O-C 3.54Å; C93-M131 WeakPolarHBondContact O-CA 3.38Å; L95-M131 HydrophobicContact CD1-CG 3.9Å; L95-M131 HydrophobicContact CD1-SD 3.6Å; L95-M131 HydrophobicContact CG-CG 4.26Å; L116-M131 HydrophobicContact CD2-SD 3.85Å; V128-M131 HydrophobicContact CG2-CB 4.47Å; M131-I133 HydrophobicContact CE-CD1 3.73Å; M131-I133 HydrophobicContact CE-CG1 4.22Å; M131-I133 HydrophobicContact CG-CD1 3.88Å; M131-I133 HydrophobicContact SD-CD1 3.81Å; M131-C150 HydrophobicContact CE-CB 3.91Å; M131-C150 VanDerWaalsContact CE-SG 3.53Å; M131-L153 HydrophobicContact CE-CD1 3.94Å; M131-L153 HydrophobicContact SD-CD1 3.73Å; M131-T159 HydrophobicContact CB-CG2 3.97Å; M131-T159 HydrophobicContact CE-CG2 4.38Å; M131-T159 PolarHBondContact N-OG1 3.03Å; M131-Y161 PolarHBondContact N-O 2.86Å; M131-W162 HydrophobicContact CE-CB 3.86Å; M131-W162 CarbonylContact O-C 3.52Å; M131-W162 WeakPolarHBondContact O-CA 3.23Å; M131-G163 PolarHBondContact O-N 3.34Å
132I98.6Very high95.3Very high0 Ų054.9 Ų54.90%028%0.281CS..EExtended strand (participates in β ladder)trans-103.8124.4178.5-60.1-66.8000109.8C92 C93 R94 L95 I130 V189 Q191C92-I132 VanDerWaalsContact SG-CG1 3.52Å; C93-I132 PolarHBondContact O-N 3.38Å; R94-I132 WeakPolarHBondContact CA-O 3.42Å; R94-I132 HydrophobicContact CB-CB 4.49Å; R94-I132 HydrophobicContact CG-CB 3.93Å; R94-I132 HydrophobicContact CG-CG1 4.49Å; R94-I132 HydrophobicContact CG-CG2 4.17Å; L95-I132 PolarHBondContact N-O 2.67Å; I130-I132 HydrophobicContact CG2-CD1 3.71Å; I130-I132 HydrophobicContact CG2-CG1 4.09Å; I132-V189 HydrophobicContact CD1-CG1 3.51Å; I132-Q191 HydrophobicContact CD1-CB 4.28Å; I132-Q191 HydrophobicContact CG2-CB 4.44Å
133I98Very high95.2Very high0 Ų053.5 Ų53.50%028%0.276CS..EExtended strand (participates in β ladder)trans-96.8109.7-179.7-57.1-52.4000109.6L95 L107 L112 M131 V146 W162 G163 S165 W167L95-I133 HydrophobicContact CB-CD1 4.34Å; L95-I133 HydrophobicContact CD1-CD1 4.1Å; L107-I133 HydrophobicContact CD2-CG2 3.23Å; L112-I133 HydrophobicContact CD1-CD1 4.37Å; L112-I133 HydrophobicContact CD2-CD1 3.72Å; M131-I133 HydrophobicContact CE-CD1 3.73Å; M131-I133 HydrophobicContact CE-CG1 4.22Å; M131-I133 HydrophobicContact CG-CD1 3.88Å; M131-I133 HydrophobicContact SD-CD1 3.81Å; I133-V146 HydrophobicContact CG2-CG1 4.04Å; I133-W162 HydrophobicContact CG1-CE3 4.05Å; I133-G163 PolarHBondContact N-O 2.95Å; I133-S165 PolarHBondContact O-N 3.08Å; I133-W167 HydrophobicContact CG2-CZ2 4.1Å; I133-W167 PolarHBondContact O-NE1 3.14Å
134T96Very high95.2Very high31 Ų3156.7 Ų56.719%0.1929%0.291CS..EExtended strand (participates in β ladder)trans-84.4117.6177.3-50.50000109.8R94 L95 L107 P136 S165R94-T134 PolarHBondContact NH2-OG1 2.8Å; R94-T134 VanDerWaalsContact NH2-OG1 3.13Å; L95-T134 VanDerWaalsContact O-CB 3.23Å; L95-T134 WeakPolarHBondContact O-CB 3.3Å; L95-T134 PolarHBondContact O-N 2.76Å; L95-T134 PolarHBondContact O-OG1 3.39Å; L107-T134 WeakPolarHBondContact CD2-O 3.45Å; T134-P136 WeakPolarHBondContact O-CD 3.36Å; T134-S165 CarbonylContact C-O 3.51Å; T134-S165 WeakPolarHBondContact CA-O 3.36Å
135R94Very high95.2Very high19 Ų1954.9 Ų54.97%0.07228%0.283CS..PPolyproline II helixtrans-95118.6178.9-178.3160.4-170.998.34.6111.1L107 S139 I141 S165 W167 E171L107-R135 HydrophobicContact CD1-CB 3.9Å; L107-R135 HydrophobicContact CD1-CG 3.69Å; R135-S139 PolarHBondContact NH2-O 2.76Å; R135-S139 VanDerWaalsContact NH2-O 3.13Å; R135-I141 PolarHBondContact NH1-O 3Å; R135-I141 PolarHBondContact NH2-O 2.87Å; R135-S165 PolarHBondContact N-O 3.32Å; R135-W167 VanDerWaalsContact CB-CD1 3.45Å; R135-W167 HydrophobicContact CB-CD2 4.17Å; R135-W167 HydrophobicContact CB-CG 3.98Å; R135-W167 HydrophobicContact CB-CZ2 4.41Å; R135-W167 VanDerWaalsContact CB-NE1 3.34Å; R135-E171 WeakPolarHBondContact CD-OE1 3.35Å; R135-E171 IonicContact CZ-OE1 3.43Å; R135-E171 IonicContact NE-OE1 2.69Å; R135-E171 PolarHBondContact NE-OE1 2.92Å; R135-E171 IonicContact NE-OE2 2.78Å; R135-E171 IonicContact NH2-OE1 3.66Å
136P90.6Very high95.1Very high64 Ų6453.6 Ų53.642%0.41628%0.276SS..PPolyproline II helixtrans-63.6144.4167.9-20.132.4000110.8T134 E138 S139T134-P136 WeakPolarHBondContact O-CD 3.36Å; P136-E138 PolarHBondContact O-N 3.42Å; P136-E138 VanDerWaalsContact O-N 3.16Å; P136-S139 VanDerWaalsContact O-CB 3.27Å; P136-S139 WeakPolarHBondContact O-CB 3.31Å; P136-S139 PolarHBondContact O-N 3.34Å
137K85.7Confident95.1Very high205 Ų20545.7 Ų45.789%0.89124%0.239SC*.THydrogen-bonded Turntrans-55.7-34-179.3-70.4-177.7178.6177.90113.5
138E86.1Confident95.1Very high186 Ų18648.1 Ų48.187%0.86925%0.248SC*.THydrogen-bonded Turntrans-95.711.4-175.9-67.5146.8-155.600112.6P136 S140P136-E138 PolarHBondContact O-N 3.42Å; P136-E138 VanDerWaalsContact O-N 3.16Å; E138-S140 PolarHBondContact O-N 3.34Å
139S88.1Confident95.1Very high25 Ų2548.2 Ų48.218%0.17525%0.248CC..  trans-66.2119.9-176.7-169.40000111.7R135 P136 I141R135-S139 PolarHBondContact NH2-O 2.76Å; R135-S139 VanDerWaalsContact NH2-O 3.13Å; P136-S139 VanDerWaalsContact O-CB 3.27Å; P136-S139 WeakPolarHBondContact O-CB 3.31Å; P136-S139 PolarHBondContact O-N 3.34Å; S139-I141 VanDerWaalsContact C-N 3.33Å; S139-I141 PolarHBondContact OG-N 3.33Å
140S88.2Confident95.1Very high113 Ų11347.7 Ų47.779%0.7925%0.245SC*.  trans-85.2-4.917358.90000113.5E138E138-S140 PolarHBondContact O-N 3.34Å
141I92.3Very high95.1Very high39 Ų3947.9 Ų47.920%0.225%0.246CC..  trans-67.1127.2-174.9-57.7-58.7000110L107 R135 S139 E145 V146L107-I141 HydrophobicContact CB-CB 3.93Å; L107-I141 HydrophobicContact CB-CG1 4.04Å; L107-I141 HydrophobicContact CB-CG2 3.96Å; R135-I141 PolarHBondContact NH1-O 3Å; R135-I141 PolarHBondContact NH2-O 2.87Å; S139-I141 VanDerWaalsContact C-N 3.33Å; S139-I141 PolarHBondContact OG-N 3.33Å; I141-E145 HydrophobicContact CG2-CB 4.4Å; I141-V146 HydrophobicContact CG2-CG2 4.1Å
142P95.8Very high95.1Very high76 Ų7651.3 Ų51.349%0.49426%0.262SS..  trans-59.5137.3178.6-24.334.2000112.3E144 E145 V146P142-E144 PolarHBondContact O-N 2.96Å; P142-E145 PolarHBondContact O-N 3.23Å; P142-E145 VanDerWaalsContact O-N 3.14Å; P142-V146 PolarHBondContact O-N 2.69Å
143V97.4Very high95.1Very high4 Ų451.3 Ų51.32%0.02426%0.262CS..Hα-helixtrans-56.5-34.4175.81730000111.7E145 V146 V147 W167 Q174 A175 V178V143-E145 PolarHBondContact O-N 3.44Å; V143-V146 PolarHBondContact O-N 2.87Å; V143-V147 HydrophobicContact CG1-CG2 4.01Å; V143-V147 VanDerWaalsContact O-CG2 3.32Å; V143-V147 WeakPolarHBondContact O-CG2 3.5Å; V143-V147 PolarHBondContact O-N 2.72Å; V143-W167 HydrophobicContact CB-CZ3 4.44Å; V143-W167 HydrophobicContact CG1-CH2 4.41Å; V143-W167 HydrophobicContact CG1-CZ3 3.97Å; V143-W167 HydrophobicContact CG2-CH2 4.39Å; V143-W167 HydrophobicContact CG2-CZ3 3.83Å; V143-Q174 HydrophobicContact CB-CG 4.03Å; V143-Q174 HydrophobicContact CG1-CB 4.3Å; V143-Q174 HydrophobicContact CG1-CG 4.06Å; V143-Q174 HydrophobicContact CG2-CB 4.48Å; V143-Q174 HydrophobicContact CG2-CG 4.26Å; V143-Q174 VanDerWaalsContact CG2-OE1 3.27Å; V143-A175 HydrophobicContact CG1-CB 3.77Å; V143-V178 HydrophobicContact CG1-CG2 4.5Å
144E98.1Very high95.2Very high69 Ų6952.5 Ų52.532%0.32227%0.269SS..Hα-helixtrans-59.4-44.2177.6-177.7176.8164.300113.5P142 V146 V147 R148 V178 F182P142-E144 PolarHBondContact O-N 2.96Å; E144-V146 VanDerWaalsContact C-N 3.27Å; E144-V146 PolarHBondContact O-N 3.23Å; E144-V147 PolarHBondContact O-N 3.38Å; E144-R148 HydrophobicContact CG-CG 4.29Å; E144-R148 WeakPolarHBondContact O-CB 3.31Å; E144-R148 WeakPolarHBondContact O-CG 3.47Å; E144-R148 PolarHBondContact O-N 2.66Å; E144-R148 IonicContact OE1-CZ 3.76Å; E144-R148 IonicContact OE1-NE 3.85Å; E144-R148 PolarHBondContact OE1-NE 2.84Å; E144-R148 IonicContact OE1-NH2 3.68Å; E144-R148 PolarHBondContact OE1-NH2 2.84Å; E144-V178 HydrophobicContact CB-CG1 4.1Å; E144-V178 HydrophobicContact CB-CG2 4.36Å; E144-V178 HydrophobicContact CG-CG1 4.07Å; E144-F182 HydrophobicContact CG-CD2 4.47Å; E144-F182 HydrophobicContact CG-CE2 4.23Å
145E98.1Very high95.3Very high71 Ų7158 Ų5833%0.33229%0.292SS..Hα-helixtrans-61.1-41.8179.2-175.9176.1153.200110.8S108 R109 I141 P142 V143 T149S108-E145 WeakPolarHBondContact CA-OE1 3.38Å; R109-E145 HydrophobicContact CB-CG 4.25Å; R109-E145 PolarHBondContact N-OE1 3.43Å; I141-E145 HydrophobicContact CG2-CB 4.4Å; P142-E145 PolarHBondContact O-N 3.23Å; P142-E145 VanDerWaalsContact O-N 3.14Å; V143-E145 PolarHBondContact O-N 3.44Å; E145-T149 VanDerWaalsContact O-CB 3.29Å; E145-T149 WeakPolarHBondContact O-CB 3.46Å; E145-T149 PolarHBondContact O-N 2.74Å; E145-T149 PolarHBondContact O-OG1 2.96Å
146V98Very high95.5Very high0 Ų061 Ų610%031%0.309CS..Hα-helixtrans-63.5-50.5177.8-176.90000110.8L107 L112 I133 I141 P142 V143 E144 R148 T149 C150 W162 W167L107-V146 HydrophobicContact CB-CG2 3.88Å; L107-V146 HydrophobicContact CD1-CG2 4.26Å; L112-V146 HydrophobicContact CD1-CG1 4.16Å; I133-V146 HydrophobicContact CG2-CG1 4.04Å; I141-V146 HydrophobicContact CG2-CG2 4.1Å; P142-V146 PolarHBondContact O-N 2.69Å; V143-V146 PolarHBondContact O-N 2.87Å; E144-V146 VanDerWaalsContact C-N 3.27Å; E144-V146 PolarHBondContact O-N 3.23Å; V146-R148 PolarHBondContact O-N 2.86Å; V146-T149 PolarHBondContact O-N 3.29Å; V146-T149 VanDerWaalsContact O-N 3.16Å; V146-C150 PolarHBondContact O-N 2.91Å; V146-C150 PolarHBondContact O-SG 2.93Å; V146-W162 HydrophobicContact CG1-CZ3 4.43Å; V146-W167 HydrophobicContact CB-CH2 4.21Å; V146-W167 HydrophobicContact CG1-CH2 3.98Å; V146-W167 HydrophobicContact CG1-CZ2 3.96Å; V146-W167 HydrophobicContact CG2-CH2 4.39Å
147V98.7Very high95.9Very high0 Ų059.6 Ų59.60%031%0.306CS..Hα-helixtrans-63.5-42.8-177.9177.50000111.2V143 E144 T149 T151 W162 A175 V178 A179 L184V143-V147 HydrophobicContact CG1-CG2 4.01Å; V143-V147 VanDerWaalsContact O-CG2 3.32Å; V143-V147 WeakPolarHBondContact O-CG2 3.5Å; V143-V147 PolarHBondContact O-N 2.72Å; E144-V147 PolarHBondContact O-N 3.38Å; V147-T149 VanDerWaalsContact C-N 3.3Å; V147-T149 PolarHBondContact O-N 2.86Å; V147-T151 WeakPolarHBondContact O-CB 3.24Å; V147-T151 PolarHBondContact O-N 3.2Å; V147-T151 PolarHBondContact O-OG1 3.05Å; V147-W162 HydrophobicContact CB-CZ2 4.43Å; V147-W162 HydrophobicContact CG1-CZ2 4.37Å; V147-W162 HydrophobicContact CG2-CH2 3.93Å; V147-W162 HydrophobicContact CG2-CZ2 3.94Å; V147-A175 HydrophobicContact CG2-CB 3.87Å; V147-V178 HydrophobicContact CB-CG1 3.82Å; V147-V178 HydrophobicContact CG1-CG1 3.96Å; V147-V178 HydrophobicContact CG2-CB 4.43Å; V147-V178 HydrophobicContact CG2-CG1 4.05Å; V147-A179 HydrophobicContact CG1-CB 4.01Å; V147-L184 HydrophobicContact CB-CD1 4.46Å; V147-L184 HydrophobicContact CG1-CB 3.88Å; V147-L184 HydrophobicContact CG1-CD1 3.81Å
148R98.7Very high96.5Very high98 Ų9852.6 Ų52.637%0.3727%0.274SS..Hα-helixtrans-61-40.9174.4-75.6-176-177.5-71.8-3.4111.6E144 V146 H152 L184E144-R148 HydrophobicContact CG-CG 4.29Å; E144-R148 WeakPolarHBondContact O-CB 3.31Å; E144-R148 WeakPolarHBondContact O-CG 3.47Å; E144-R148 PolarHBondContact O-N 2.66Å; E144-R148 IonicContact OE1-CZ 3.76Å; E144-R148 IonicContact OE1-NE 3.85Å; E144-R148 PolarHBondContact OE1-NE 2.84Å; E144-R148 IonicContact OE1-NH2 3.68Å; E144-R148 PolarHBondContact OE1-NH2 2.84Å; V146-R148 PolarHBondContact O-N 2.86Å; R148-H152 WeakPolarHBondContact O-CB 3.22Å; R148-H152 PolarHBondContact O-N 2.81Å; R148-L184 HydrophobicContact CB-CD1 4.4Å; R148-L184 HydrophobicContact CG-CD1 3.51Å; R148-L184 HydrophobicContact CG-CD2 4.43Å
149T98.5Very high97.1Very high1 Ų143.7 Ų43.71%0.00623%0.233CC..Hα-helixtrans-69-47.5179.7-58.40000111.7R109 L112 F113 E145 V146 V147 T151 H152 L153R109-T149 HydrophobicContact CB-CG2 4.37Å; R109-T149 WeakPolarHBondContact CB-OG1 3.46Å; R109-T149 HydrophobicContact CG-CG2 3.99Å; R109-T149 WeakPolarHBondContact CG-OG1 3.35Å; R109-T149 PolarHBondContact NH1-OG1 3.06Å; L112-T149 HydrophobicContact CB-CG2 3.78Å; L112-T149 HydrophobicContact CD1-CG2 4.06Å; F113-T149 HydrophobicContact CD2-CG2 4.4Å; E145-T149 VanDerWaalsContact O-CB 3.29Å; E145-T149 WeakPolarHBondContact O-CB 3.46Å; E145-T149 PolarHBondContact O-N 2.74Å; E145-T149 PolarHBondContact O-OG1 2.96Å; V146-T149 PolarHBondContact O-N 3.29Å; V146-T149 VanDerWaalsContact O-N 3.16Å; V147-T149 VanDerWaalsContact C-N 3.3Å; V147-T149 PolarHBondContact O-N 2.86Å; T149-T151 VanDerWaalsContact C-N 3.29Å; T149-T151 PolarHBondContact O-N 2.98Å; T149-H152 WeakPolarHBondContact O-CB 3.09Å; T149-H152 PolarHBondContact O-N 3.39Å; T149-L153 HydrophobicContact CG2-CD1 4.19Å; T149-L153 HydrophobicContact CG2-CG 4.45Å; T149-L153 WeakPolarHBondContact O-CG 3.37Å; T149-L153 PolarHBondContact O-N 3.13Å
150C98.7Very high97.6Very high0 Ų047.2 Ų47.20%025%0.245CC..Hα-helixtrans-59.7-41.6176.7-62.80000111.7M131 V146 H152 L153 I154 W162M131-C150 HydrophobicContact CE-CB 3.91Å; M131-C150 VanDerWaalsContact CE-SG 3.53Å; V146-C150 PolarHBondContact O-N 2.91Å; V146-C150 PolarHBondContact O-SG 2.93Å; C150-H152 VanDerWaalsContact C-N 3.32Å; C150-H152 PolarHBondContact O-N 3.25Å; C150-L153 PolarHBondContact O-N 3.13Å; C150-I154 WeakPolarHBondContact O-CG1 3.49Å; C150-I154 PolarHBondContact O-N 3.18Å; C150-W162 HydrophobicContact CB-CB 4.1Å; C150-W162 HydrophobicContact CB-CD2 3.56Å; C150-W162 HydrophobicContact CB-CE3 4.1Å; C150-W162 HydrophobicContact CB-CG 3.56Å; C150-W162 HydrophobicContact CB-CZ2 4.43Å
151T98.8Very high98.1Very high4 Ų444.7 Ų44.73%0.02522%0.219CC..Hα-helixtrans-60.9-42.4174.5-60.90000111.7V147 T149 I154 H155 L184 I185V147-T151 WeakPolarHBondContact O-CB 3.24Å; V147-T151 PolarHBondContact O-N 3.2Å; V147-T151 PolarHBondContact O-OG1 3.05Å; T149-T151 VanDerWaalsContact C-N 3.29Å; T149-T151 PolarHBondContact O-N 2.98Å; T151-I154 PolarHBondContact O-N 2.98Å; T151-H155 PolarHBondContact O-N 3.22Å; T151-L184 HydrophobicContact CG2-CB 4.24Å; T151-L184 HydrophobicContact CG2-CD2 4.03Å; T151-L184 WeakPolarHBondContact OG1-CB 3.48Å; T151-I185 HydrophobicContact CG2-CB 4.43Å; T151-I185 HydrophobicContact CG2-CD1 4.19Å; T151-I185 HydrophobicContact CG2-CG1 4.03Å; T151-I185 PolarHBondContact OG1-N 3.25Å
152H98.8Very high98.4Very high72 Ų7242.9 Ų42.933%0.33321%0.209SC..Hα-helixtrans-63.6-43.8177.3-169.3106.7000112R109 F113 R148 T149 C150 I154 H155 L156R109-H152 PolarHBondContact NH2-CE1 2.97Å; R109-H152 VanDerWaalsContact NH2-CG 3.33Å; R109-H152 PolarHBondContact NH2-ND1 2.62Å; R109-H152 VanDerWaalsContact NH2-ND1 3.16Å; F113-H152 AromaticContact CE2-CD2 3.39Å; F113-H152 WeakPolarHBondContact CE2-CD2 3.19Å; F113-H152 AromaticContact CE2-NE2 3.87Å; F113-H152 AromaticContact CZ-CD2 3.37Å; F113-H152 WeakPolarHBondContact CZ-CD2 3.23Å; F113-H152 AromaticContact CZ-NE2 3.54Å; R148-H152 WeakPolarHBondContact O-CB 3.22Å; R148-H152 PolarHBondContact O-N 2.81Å; T149-H152 WeakPolarHBondContact O-CB 3.09Å; T149-H152 PolarHBondContact O-N 3.39Å; C150-H152 VanDerWaalsContact C-N 3.32Å; C150-H152 PolarHBondContact O-N 3.25Å; H152-I154 VanDerWaalsContact C-N 3.27Å; H152-I154 PolarHBondContact O-N 3.45Å; H152-H155 PolarHBondContact O-N 3.31Å; H152-H155 VanDerWaalsContact O-N 3.16Å; H152-L156 PolarHBondContact O-N 3.1Å
153L98.8Very high98.5Very high0 Ų039.2 Ų39.20%019%0.186CC..Hα-helixtrans-63.5-34.1178.1-66172.5000112.1L112 F113 L116 M131 T149 C150 L156 G157 W158 T159L112-L153 HydrophobicContact CB-CD1 4.43Å; F113-L153 HydrophobicContact CD1-CD2 4.07Å; F113-L153 HydrophobicContact CD2-CD2 3.71Å; F113-L153 HydrophobicContact CD2-CG 4.43Å; F113-L153 HydrophobicContact CE1-CD2 4.11Å; F113-L153 HydrophobicContact CE2-CD2 3.76Å; F113-L153 HydrophobicContact CE2-CG 4.47Å; F113-L153 HydrophobicContact CG-CD2 3.89Å; F113-L153 HydrophobicContact CZ-CD2 4Å; L116-L153 HydrophobicContact CD2-CB 4.28Å; L116-L153 HydrophobicContact CD2-CD1 3.99Å; L116-L153 HydrophobicContact CD2-CD2 4.28Å; L116-L153 HydrophobicContact CD2-CG 4.41Å; M131-L153 HydrophobicContact CE-CD1 3.94Å; M131-L153 HydrophobicContact SD-CD1 3.73Å; T149-L153 HydrophobicContact CG2-CD1 4.19Å; T149-L153 HydrophobicContact CG2-CG 4.45Å; T149-L153 WeakPolarHBondContact O-CG 3.37Å; T149-L153 PolarHBondContact O-N 3.13Å; C150-L153 PolarHBondContact O-N 3.13Å; L153-L156 PolarHBondContact O-N 3Å; L153-G157 PolarHBondContact O-N 3.18Å; L153-W158 HydrophobicContact CD2-CE3 3.7Å; L153-W158 HydrophobicContact CD2-CZ3 4.1Å; L153-W158 PolarHBondContact O-N 3.41Å; L153-T159 HydrophobicContact CB-CG2 4.5Å
154I98.8Very high98.5Very high26 Ų2639 Ų3913%0.13318%0.184CC..Hα-helixtrans-66.4-44.9171.7-68.3169.1000111.4C150 T151 H152 L156 G157 T159 I185C150-I154 WeakPolarHBondContact O-CG1 3.49Å; C150-I154 PolarHBondContact O-N 3.18Å; T151-I154 PolarHBondContact O-N 2.98Å; H152-I154 VanDerWaalsContact C-N 3.27Å; H152-I154 PolarHBondContact O-N 3.45Å; I154-L156 VanDerWaalsContact C-N 3.25Å; I154-L156 PolarHBondContact O-N 2.99Å; I154-G157 WeakPolarHBondContact O-CA 3.36Å; I154-G157 PolarHBondContact O-N 3.22Å; I154-T159 WeakPolarHBondContact CA-O 3.33Å; I154-T159 HydrophobicContact CG1-CG2 3.68Å; I154-I185 HydrophobicContact CB-CD1 3.99Å; I154-I185 HydrophobicContact CD1-CB 4.3Å; I154-I185 HydrophobicContact CD1-CD1 4.03Å; I154-I185 HydrophobicContact CD1-CG2 3.84Å; I154-I185 HydrophobicContact CG2-CD1 3.61Å
155H98.6Very high98.5Very high145 Ų14536.1 Ų36.167%0.67117%0.172SC*.Hα-helixtrans-64.2-28.8177.5-69.1161.2000113.6T151 H152 G157T151-H155 PolarHBondContact O-N 3.22Å; H152-H155 PolarHBondContact O-N 3.31Å; H152-H155 VanDerWaalsContact O-N 3.16Å; H155-G157 PolarHBondContact O-N 2.84Å
156L98.4Very high98.3Very high82 Ų8234.5 Ų34.543%0.42917%0.174SC..THydrogen-bonded Turntrans-72.8-11.4171-71.7-176.3000113.6F113 H152 L153 I154 W158F113-L156 HydrophobicContact CE1-CD1 3.52Å; F113-L156 HydrophobicContact CE2-CD1 4.39Å; F113-L156 HydrophobicContact CZ-CD1 3.29Å; H152-L156 PolarHBondContact O-N 3.1Å; L153-L156 PolarHBondContact O-N 3Å; I154-L156 VanDerWaalsContact C-N 3.25Å; I154-L156 PolarHBondContact O-N 2.99Å; L156-W158 VanDerWaalsContact C-N 3.29Å; L156-W158 HydrophobicContact CB-CD2 4.48Å; L156-W158 HydrophobicContact CB-CG 4.18Å; L156-W158 HydrophobicContact CD1-CD2 4.35Å; L156-W158 HydrophobicContact CD1-CZ2 4.25Å
157G98.6Very high98.1Very high35 Ų3535 Ų3536%0.36118%0.176SC..THydrogen-bonded Turntrans7810.4-176.900000114.2Y127 L153 I154 H155 T159Y127-G157 VanDerWaalsContact CB-O 3.24Å; Y127-G157 WeakPolarHBondContact CB-O 2.92Å; L153-G157 PolarHBondContact O-N 3.18Å; I154-G157 WeakPolarHBondContact O-CA 3.36Å; I154-G157 PolarHBondContact O-N 3.22Å; H155-G157 PolarHBondContact O-N 2.84Å; G157-T159 VanDerWaalsContact C-N 3.29Å
158W98.7Very high97.9Very high58 Ų5839.7 Ų39.722%0.2220%0.201CC..SBendtrans-76.4-21179.3-68.67.5000112.4F113 L116 R117 L120 Y127 V128 L153 L156F113-W158 HydrophobicContact CD1-CE3 4.45Å; F113-W158 AromaticContact CD1-CH2 3.7Å; F113-W158 HydrophobicContact CD1-CH2 3.7Å; F113-W158 AromaticContact CD1-CZ3 3.46Å; F113-W158 HydrophobicContact CD1-CZ3 3.46Å; F113-W158 VanDerWaalsContact CD1-CZ3 3.46Å; F113-W158 HydrophobicContact CE1-CE3 4.47Å; F113-W158 AromaticContact CE1-CH2 3.63Å; F113-W158 HydrophobicContact CE1-CH2 3.63Å; F113-W158 HydrophobicContact CE1-CZ2 4.42Å; F113-W158 AromaticContact CE1-CZ3 3.66Å; F113-W158 HydrophobicContact CE1-CZ3 3.66Å; F113-W158 HydrophobicContact CG-CZ3 4.44Å; L116-W158 HydrophobicContact CD2-CB 3.85Å; L116-W158 HydrophobicContact CD2-CE3 4.31Å; L116-W158 HydrophobicContact CG-CE3 4.5Å; R117-W158 HydrophobicContact CB-CH2 4.11Å; R117-W158 HydrophobicContact CB-CZ3 3.84Å; R117-W158 HydrophobicContact CG-CH2 4.3Å; R117-W158 HydrophobicContact CG-CZ3 4.5Å; L120-W158 HydrophobicContact CD1-CB 3.94Å; L120-W158 HydrophobicContact CD1-CD2 4.18Å; L120-W158 HydrophobicContact CD1-CE3 4.4Å; L120-W158 HydrophobicContact CD1-CG 3.98Å; Y127-W158 VanDerWaalsContact CA-O 3.27Å; Y127-W158 WeakPolarHBondContact CA-O 3.43Å; Y127-W158 WeakPolarHBondContact CB-O 3.45Å; V128-W158 PolarHBondContact N-O 3.05Å; L153-W158 HydrophobicContact CD2-CE3 3.7Å; L153-W158 HydrophobicContact CD2-CZ3 4.1Å; L153-W158 PolarHBondContact O-N 3.41Å; L156-W158 VanDerWaalsContact C-N 3.29Å; L156-W158 HydrophobicContact CB-CD2 4.48Å; L156-W158 HydrophobicContact CB-CG 4.18Å; L156-W158 HydrophobicContact CD1-CD2 4.35Å; L156-W158 HydrophobicContact CD1-CZ2 4.25Å
159T98.9Very high97.7Very high0 Ų037 Ų370%020%0.196CC..EExtended strand (participates in β ladder)trans-148.1155167.7-167.30000112.6V128 M131 L153 I154 G157 Y161V128-T159 WeakPolarHBondContact O-CA 3.28Å; V128-T159 WeakPolarHBondContact O-CB 3.5Å; V128-T159 PolarHBondContact O-OG1 3.45Å; M131-T159 HydrophobicContact CB-CG2 3.97Å; M131-T159 HydrophobicContact CE-CG2 4.38Å; M131-T159 PolarHBondContact N-OG1 3.03Å; L153-T159 HydrophobicContact CB-CG2 4.5Å; I154-T159 WeakPolarHBondContact CA-O 3.33Å; I154-T159 HydrophobicContact CG1-CG2 3.68Å; G157-T159 VanDerWaalsContact C-N 3.29Å; T159-Y161 PolarHBondContact OG1-O 3.12Å; T159-Y161 VanDerWaalsContact OG1-O 3.1Å
160F98.6Very high97.5Very high98 Ų9840.8 Ų40.843%0.4322%0.221SC..EExtended strand (participates in β ladder)trans-92-36.1176.7-65.8-51.8000113Y127 V128 D129Y127-F160 HydrophobicContact CD2-CD2 4.08Å; Y127-F160 AromaticContact CD2-CE2 3.53Å; Y127-F160 HydrophobicContact CD2-CE2 3.53Å; Y127-F160 HydrophobicContact CD2-CZ 4.05Å; Y127-F160 HydrophobicContact CE1-CZ 4.36Å; Y127-F160 HydrophobicContact CE2-CD2 4.08Å; Y127-F160 AromaticContact CE2-CE2 3.23Å; Y127-F160 HydrophobicContact CE2-CE2 3.23Å; Y127-F160 AromaticContact CE2-CZ 3.86Å; Y127-F160 HydrophobicContact CE2-CZ 3.86Å; Y127-F160 HydrophobicContact CG-CE2 4.3Å; Y127-F160 HydrophobicContact CG-CZ 4.39Å; Y127-F160 AromaticContact CZ-CE2 3.78Å; V128-F160 PolarHBondContact O-N 3.45Å; D129-F160 PolarHBondContact O-N 3.39Å
161Y98.7Very high97.3Very high61 Ų6142.2 Ų42.224%0.23923%0.228CC..EExtended strand (participates in β ladder)trans-136.2153-178.6-55.3-80.2000110T21 L23 D129 I130 M131 T159T21-Y161 HydrophobicContact CG2-CD1 3.85Å; T21-Y161 HydrophobicContact CG2-CE1 3.79Å; L23-Y161 HydrophobicContact CB-CD2 4.39Å; L23-Y161 HydrophobicContact CB-CE2 3.74Å; L23-Y161 HydrophobicContact CD1-CE2 4.24Å; L23-Y161 HydrophobicContact CD2-CD2 3.77Å; L23-Y161 HydrophobicContact CD2-CE2 3.85Å; L23-Y161 HydrophobicContact CG-CE2 4.15Å; D129-Y161 WeakPolarHBondContact O-CD2 3.39Å; D129-Y161 PolarHBondContact O-N 3.15Å; I130-Y161 CarbonylContact C-O 3.57Å; I130-Y161 WeakPolarHBondContact CA-O 3.41Å; M131-Y161 PolarHBondContact N-O 2.86Å; T159-Y161 PolarHBondContact OG1-O 3.12Å; T159-Y161 VanDerWaalsContact OG1-O 3.1Å
162W98.7Very high97.2Very high0 Ų042 Ų420%023%0.227CC..EExtended strand (participates in β ladder)trans-125.2160.6168.978.2-78.4000111.6M131 I133 V146 V147 C150 T164 A175 I185 P186 P187 S188M131-W162 HydrophobicContact CE-CB 3.86Å; M131-W162 CarbonylContact O-C 3.52Å; M131-W162 WeakPolarHBondContact O-CA 3.23Å; I133-W162 HydrophobicContact CG1-CE3 4.05Å; V146-W162 HydrophobicContact CG1-CZ3 4.43Å; V147-W162 HydrophobicContact CB-CZ2 4.43Å; V147-W162 HydrophobicContact CG1-CZ2 4.37Å; V147-W162 HydrophobicContact CG2-CH2 3.93Å; V147-W162 HydrophobicContact CG2-CZ2 3.94Å; C150-W162 HydrophobicContact CB-CB 4.1Å; C150-W162 HydrophobicContact CB-CD2 3.56Å; C150-W162 HydrophobicContact CB-CE3 4.1Å; C150-W162 HydrophobicContact CB-CG 3.56Å; C150-W162 HydrophobicContact CB-CZ2 4.43Å; W162-T164 HydrophobicContact CZ3-CG2 4.03Å; W162-A175 HydrophobicContact CH2-CB 4.21Å; W162-I185 PolarHBondContact NE1-O 3.05Å; W162-P186 VanDerWaalsContact NE1-C 3.32Å; W162-P186 PolarHBondContact NE1-O 3.38Å; W162-P187 HydrophobicContact CD2-CB 4.11Å; W162-P187 HydrophobicContact CE3-CB 4.07Å; W162-P187 HydrophobicContact CH2-CB 3.82Å; W162-P187 HydrophobicContact CH2-CG 3.96Å; W162-P187 HydrophobicContact CZ2-CB 3.85Å; W162-P187 HydrophobicContact CZ2-CG 4.03Å; W162-P187 HydrophobicContact CZ3-CB 3.92Å; W162-P187 HydrophobicContact CZ3-CG 4.48Å; W162-P187 WeakPolarHBondContact O-CA 3.28Å; W162-S188 PolarHBondContact O-N 3.2Å
163G98.4Very high97.2Very high0 Ų043.4 Ų43.40%024%0.235CC..EExtended strand (participates in β ladder)trans-153.1179.5-179.600000113.7M131 I133 V189M131-G163 PolarHBondContact O-N 3.34Å; I133-G163 PolarHBondContact N-O 2.95Å; G163-V189 CarbonylContact C-O 3.58Å; G163-V189 WeakPolarHBondContact CA-O 3.5Å
164T97.7Very high97.1Very high0 Ų048 Ų480%026%0.256CS..EExtended strand (participates in β ladder)trans-114.5151.5-171.1510000112W162 W167 V172 P187 V189 D190 Q191W162-T164 HydrophobicContact CZ3-CG2 4.03Å; T164-W167 HydrophobicContact CG2-CD2 3.69Å; T164-W167 HydrophobicContact CG2-CE3 4.17Å; T164-W167 HydrophobicContact CG2-CG 3.81Å; T164-W167 HydrophobicContact CG2-CZ2 4.46Å; T164-V172 HydrophobicContact CG2-CG2 4.33Å; T164-P187 HydrophobicContact CG2-CB 4Å; T164-P187 HydrophobicContact CG2-CG 4.3Å; T164-V189 PolarHBondContact N-O 3.48Å; T164-D190 CarbonylContact O-C 3.6Å; T164-D190 WeakPolarHBondContact O-CA 3.27Å; T164-D190 WeakPolarHBondContact OG1-CB 3.46Å; T164-D190 PolarHBondContact OG1-OD1 3.3Å; T164-Q191 PolarHBondContact O-N 3.13Å
165S96.5Very high97.1Very high8 Ų846.8 Ų46.86%0.05625%0.25CC..EExtended strand (participates in β ladder)trans-150.6133.8167.3-173.30000111.2R94 I133 T134 R135 W167 Q191R94-S165 PolarHBondContact NH1-OG 3.18Å; R94-S165 PolarHBondContact NH2-OG 3.4Å; I133-S165 PolarHBondContact O-N 3.08Å; T134-S165 CarbonylContact C-O 3.51Å; T134-S165 WeakPolarHBondContact CA-O 3.36Å; R135-S165 PolarHBondContact N-O 3.32Å; S165-W167 VanDerWaalsContact O-CD1 3.25Å; S165-W167 PolarHBondContact O-N 3.11Å; S165-Q191 WeakPolarHBondContact CA-O 3.49Å; S165-Q191 WeakPolarHBondContact CB-O 3.49Å; S165-Q191 PolarHBondContact OG-O 2.84Å
166G94.2Very high97Very high37 Ų3740.8 Ų40.838%0.38122%0.222SC..SBendtrans72.910.9-173.900000114.9N192G166-N192 PolarHBondContact N-OD1 3.07Å
167W95.1Very high97Very high9 Ų940.9 Ų40.93%0.03423%0.226CC..  trans-82145.7177.1-69.757.5000110.8L107 I133 R135 V143 V146 T164 S165 E171 V172 A175L107-W167 HydrophobicContact CD1-CZ2 4.4Å; I133-W167 HydrophobicContact CG2-CZ2 4.1Å; I133-W167 PolarHBondContact O-NE1 3.14Å; R135-W167 VanDerWaalsContact CB-CD1 3.45Å; R135-W167 HydrophobicContact CB-CD2 4.17Å; R135-W167 HydrophobicContact CB-CG 3.98Å; R135-W167 HydrophobicContact CB-CZ2 4.41Å; R135-W167 VanDerWaalsContact CB-NE1 3.34Å; V143-W167 HydrophobicContact CB-CZ3 4.44Å; V143-W167 HydrophobicContact CG1-CH2 4.41Å; V143-W167 HydrophobicContact CG1-CZ3 3.97Å; V143-W167 HydrophobicContact CG2-CH2 4.39Å; V143-W167 HydrophobicContact CG2-CZ3 3.83Å; V146-W167 HydrophobicContact CB-CH2 4.21Å; V146-W167 HydrophobicContact CG1-CH2 3.98Å; V146-W167 HydrophobicContact CG1-CZ2 3.96Å; V146-W167 HydrophobicContact CG2-CH2 4.39Å; T164-W167 HydrophobicContact CG2-CD2 3.69Å; T164-W167 HydrophobicContact CG2-CE3 4.17Å; T164-W167 HydrophobicContact CG2-CG 3.81Å; T164-W167 HydrophobicContact CG2-CZ2 4.46Å; S165-W167 VanDerWaalsContact O-CD1 3.25Å; S165-W167 PolarHBondContact O-N 3.11Å; W167-E171 HydrophobicContact CD2-CB 4.48Å; W167-E171 HydrophobicContact CE3-CB 3.57Å; W167-E171 HydrophobicContact CZ3-CB 4.17Å; W167-V172 HydrophobicContact CB-CG2 3.61Å; W167-V172 HydrophobicContact CG-CG2 4.39Å; W167-A175 HydrophobicContact CZ3-CB 4.35Å
168L93.6Very high97Very high100 Ų10039.7 Ų39.752%0.52421%0.212SC..  trans-73.7151.5170.7-61.1175.3000111C170 E171 V172L168-C170 VanDerWaalsContact C-N 3.26Å; L168-C170 PolarHBondContact O-N 3.44Å; L168-E171 HydrophobicContact CB-CB 4.47Å; L168-E171 HydrophobicContact CB-CG 4.01Å; L168-E171 PolarHBondContact N-OE2 3.31Å; L168-E171 PolarHBondContact O-N 3.4Å; L168-V172 PolarHBondContact O-N 3.35Å
169P94.2Very high97Very high42 Ų4237 Ų3727%0.27320%0.202SC..Hα-helixtrans-35.7-53.1165.7-41.643.7000115.3E171 V172 M173 N204 M205 I208P169-E171 PolarHBondContact O-N 3.28Å; P169-V172 PolarHBondContact O-N 3.26Å; P169-M173 WeakPolarHBondContact O-CG 3.33Å; P169-M173 PolarHBondContact O-N 2.93Å; P169-M173 VanDerWaalsContact O-N 3.12Å; P169-N204 HydrophobicContact CG-CB 4.48Å; P169-N204 WeakPolarHBondContact CG-O 3.39Å; P169-M205 HydrophobicContact CB-SD 4.34Å; P169-M205 HydrophobicContact CG-SD 3.75Å; P169-I208 HydrophobicContact CB-CD1 3.32Å; P169-I208 HydrophobicContact CG-CD1 4.18Å
170C94.4Very high96.9Very high80 Ų8045.6 Ų45.654%0.54124%0.235SC..Hα-helixtrans-68.3-33.7-177.9560000112.9L168 M173 Q174L168-C170 VanDerWaalsContact C-N 3.26Å; L168-C170 PolarHBondContact O-N 3.44Å; C170-M173 PolarHBondContact O-N 3.08Å; C170-Q174 WeakPolarHBondContact O-CB 3.49Å; C170-Q174 PolarHBondContact O-N 3.29Å
171E95.7Very high96.9Very high30 Ų3047.4 Ų47.414%0.1424%0.244CC..Hα-helixtrans-72.7-38.5179.4-61.4174.4133.400111.1R135 W167 L168 P169 M173 Q174 A175R135-E171 WeakPolarHBondContact CD-OE1 3.35Å; R135-E171 IonicContact CZ-OE1 3.43Å; R135-E171 IonicContact NE-OE1 2.69Å; R135-E171 PolarHBondContact NE-OE1 2.92Å; R135-E171 IonicContact NE-OE2 2.78Å; R135-E171 IonicContact NH2-OE1 3.66Å; W167-E171 HydrophobicContact CD2-CB 4.48Å; W167-E171 HydrophobicContact CE3-CB 3.57Å; W167-E171 HydrophobicContact CZ3-CB 4.17Å; L168-E171 HydrophobicContact CB-CB 4.47Å; L168-E171 HydrophobicContact CB-CG 4.01Å; L168-E171 PolarHBondContact N-OE2 3.31Å; L168-E171 PolarHBondContact O-N 3.4Å; P169-E171 PolarHBondContact O-N 3.28Å; E171-M173 VanDerWaalsContact C-N 3.34Å; E171-Q174 WeakPolarHBondContact O-CB 3.33Å; E171-Q174 PolarHBondContact O-N 3.22Å; E171-A175 PolarHBondContact O-N 3.4Å
172V96.8Very high96.9Very high0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-64.7-41.1173.5177.20000110.8T164 W167 L168 P169 A175 Q176 M205 I208 I214T164-V172 HydrophobicContact CG2-CG2 4.33Å; W167-V172 HydrophobicContact CB-CG2 3.61Å; W167-V172 HydrophobicContact CG-CG2 4.39Å; L168-V172 PolarHBondContact O-N 3.35Å; P169-V172 PolarHBondContact O-N 3.26Å; V172-A175 PolarHBondContact O-N 2.7Å; V172-Q176 PolarHBondContact O-N 3.36Å; V172-Q176 VanDerWaalsContact O-N 3.17Å; V172-M205 HydrophobicContact CB-CE 4.16Å; V172-M205 HydrophobicContact CG1-CE 4.34Å; V172-M205 HydrophobicContact CG2-CE 3.68Å; V172-I208 HydrophobicContact CG1-CG2 4.33Å; V172-I214 HydrophobicContact CG1-CD1 3.53Å
173M96.8Very high96.9Very high100 Ų10055.1 Ų55.149%0.49329%0.286SS..Hα-helixtrans-63.3-42172.1-71.5-179.36500111.9P169 C170 E171 A175 Q176 T177 I208 L212P169-M173 WeakPolarHBondContact O-CG 3.33Å; P169-M173 PolarHBondContact O-N 2.93Å; P169-M173 VanDerWaalsContact O-N 3.12Å; C170-M173 PolarHBondContact O-N 3.08Å; E171-M173 VanDerWaalsContact C-N 3.34Å; M173-A175 VanDerWaalsContact C-N 3.3Å; M173-A175 PolarHBondContact O-N 2.93Å; M173-Q176 WeakPolarHBondContact O-CB 3.3Å; M173-Q176 PolarHBondContact O-N 3.08Å; M173-T177 PolarHBondContact O-N 3.15Å; M173-T177 PolarHBondContact O-OG1 3.31Å; M173-I208 HydrophobicContact CG-CD1 4.34Å; M173-I208 HydrophobicContact CG-CG2 4.19Å; M173-I208 HydrophobicContact SD-CD1 4.1Å; M173-I208 HydrophobicContact SD-CG1 4.42Å; M173-L212 HydrophobicContact CG-CD1 4.39Å
174Q97.3Very high96.9Very high98 Ų9856.3 Ų56.346%0.45829%0.292SS..Hα-helixtrans-60.6-40.8175.7-173.617912.600111.2V143 C170 E171 Q176 T177 V178V143-Q174 HydrophobicContact CB-CG 4.03Å; V143-Q174 HydrophobicContact CG1-CB 4.3Å; V143-Q174 HydrophobicContact CG1-CG 4.06Å; V143-Q174 HydrophobicContact CG2-CB 4.48Å; V143-Q174 HydrophobicContact CG2-CG 4.26Å; V143-Q174 VanDerWaalsContact CG2-OE1 3.27Å; C170-Q174 WeakPolarHBondContact O-CB 3.49Å; C170-Q174 PolarHBondContact O-N 3.29Å; E171-Q174 WeakPolarHBondContact O-CB 3.33Å; E171-Q174 PolarHBondContact O-N 3.22Å; Q174-Q176 VanDerWaalsContact C-N 3.31Å; Q174-Q176 PolarHBondContact O-N 3.38Å; Q174-T177 PolarHBondContact O-N 2.9Å; Q174-V178 HydrophobicContact CG-CG2 4.29Å; Q174-V178 WeakPolarHBondContact O-CB 3.46Å; Q174-V178 VanDerWaalsContact O-CG2 3.3Å; Q174-V178 WeakPolarHBondContact O-CG2 3.37Å; Q174-V178 PolarHBondContact O-N 3.44Å
175A98.2Very high97Very high0 Ų058.6 Ų58.60%030%0.304CS..Hα-helixtrans-61.5-40.2177.100000112V143 V147 W162 W167 E171 V172 M173 A179 P187V143-A175 HydrophobicContact CG1-CB 3.77Å; V147-A175 HydrophobicContact CG2-CB 3.87Å; W162-A175 HydrophobicContact CH2-CB 4.21Å; W167-A175 HydrophobicContact CZ3-CB 4.35Å; E171-A175 PolarHBondContact O-N 3.4Å; V172-A175 PolarHBondContact O-N 2.7Å; M173-A175 VanDerWaalsContact C-N 3.3Å; M173-A175 PolarHBondContact O-N 2.93Å; A175-A179 VanDerWaalsContact O-CB 3.29Å; A175-A179 WeakPolarHBondContact O-CB 3.47Å; A175-A179 PolarHBondContact O-N 3.28Å; A175-P187 HydrophobicContact CB-CG 4.16Å
176Q97.6Very high97.1Very high18 Ų1859.3 Ų59.38%0.08431%0.309CS..Hα-helixtrans-62.9-48.1172.1-66-69.2-24.300111.7V172 M173 Q174 V178 A179 R180 P187 L212V172-Q176 PolarHBondContact O-N 3.36Å; V172-Q176 VanDerWaalsContact O-N 3.17Å; M173-Q176 WeakPolarHBondContact O-CB 3.3Å; M173-Q176 PolarHBondContact O-N 3.08Å; Q174-Q176 VanDerWaalsContact C-N 3.31Å; Q174-Q176 PolarHBondContact O-N 3.38Å; Q176-V178 PolarHBondContact O-N 3.27Å; Q176-A179 PolarHBondContact O-N 3Å; Q176-R180 WeakPolarHBondContact O-CG 3.37Å; Q176-R180 PolarHBondContact O-N 3.36Å; Q176-P187 PolarHBondContact NE2-O 2.98Å; Q176-L212 HydrophobicContact CG-CD1 3.76Å; Q176-L212 HydrophobicContact CG-CD2 4.07Å; Q176-L212 HydrophobicContact CG-CG 4.37Å
177T98.1Very high97.3Very high85 Ų8557.7 Ų57.752%0.52129%0.292SS..Hα-helixtrans-59.4-49.5-179.6-61.90000111.5M173 Q174 A179 R180 Q181M173-T177 PolarHBondContact O-N 3.15Å; M173-T177 PolarHBondContact O-OG1 3.31Å; Q174-T177 PolarHBondContact O-N 2.9Å; T177-A179 VanDerWaalsContact C-N 3.29Å; T177-A179 PolarHBondContact O-N 2.76Å; T177-R180 PolarHBondContact O-N 3.02Å; T177-Q181 WeakPolarHBondContact O-CB 3.28Å; T177-Q181 PolarHBondContact O-N 2.86Å
178V98.6Very high97.4Very high10 Ų1058.2 Ų58.26%0.06130%0.297CS..Hα-helixtrans-55.6-46.8174.8164.60000110.4V143 E144 V147 Q174 Q176 R180 Q181 F182 L184V143-V178 HydrophobicContact CG1-CG2 4.5Å; E144-V178 HydrophobicContact CB-CG1 4.1Å; E144-V178 HydrophobicContact CB-CG2 4.36Å; E144-V178 HydrophobicContact CG-CG1 4.07Å; V147-V178 HydrophobicContact CB-CG1 3.82Å; V147-V178 HydrophobicContact CG1-CG1 3.96Å; V147-V178 HydrophobicContact CG2-CB 4.43Å; V147-V178 HydrophobicContact CG2-CG1 4.05Å; Q174-V178 HydrophobicContact CG-CG2 4.29Å; Q174-V178 WeakPolarHBondContact O-CB 3.46Å; Q174-V178 VanDerWaalsContact O-CG2 3.3Å; Q174-V178 WeakPolarHBondContact O-CG2 3.37Å; Q174-V178 PolarHBondContact O-N 3.44Å; Q176-V178 PolarHBondContact O-N 3.27Å; V178-R180 VanDerWaalsContact C-N 3.34Å; V178-R180 PolarHBondContact O-N 3.06Å; V178-Q181 PolarHBondContact O-N 2.7Å; V178-F182 HydrophobicContact CG1-CD2 4.01Å; V178-F182 WeakPolarHBondContact O-CD2 3.47Å; V178-F182 PolarHBondContact O-N 2.83Å; V178-L184 HydrophobicContact CG1-CD1 4.24Å
179A98.6Very high97.6Very high1 Ų153.5 Ų53.51%0.00827%0.272CS..Hα-helixtrans-61.8-42.2-179.200000112.2V147 A175 Q176 T177 N183 L184 P186V147-A179 HydrophobicContact CG1-CB 4.01Å; A175-A179 VanDerWaalsContact O-CB 3.29Å; A175-A179 WeakPolarHBondContact O-CB 3.47Å; A175-A179 PolarHBondContact O-N 3.28Å; Q176-A179 PolarHBondContact O-N 3Å; T177-A179 VanDerWaalsContact C-N 3.29Å; T177-A179 PolarHBondContact O-N 2.76Å; A179-N183 CarbonylContact O-C 3.57Å; A179-N183 WeakPolarHBondContact O-CA 3.29Å; A179-N183 PolarHBondContact O-N 2.84Å; A179-L184 HydrophobicContact CB-CB 4.37Å; A179-L184 PolarHBondContact O-N 3.43Å; A179-P186 HydrophobicContact CB-CB 3.78Å; A179-P186 HydrophobicContact CB-CG 4.43Å
180R97.8Very high97.8Very high181 Ų18151.5 Ų51.568%0.68326%0.259SS*.Hα-helixtrans-69.1-42.6176.5-62.2-55177-163.3-2.1112.6Q176 T177 V178 F182Q176-R180 WeakPolarHBondContact O-CG 3.37Å; Q176-R180 PolarHBondContact O-N 3.36Å; T177-R180 PolarHBondContact O-N 3.02Å; V178-R180 VanDerWaalsContact C-N 3.34Å; V178-R180 PolarHBondContact O-N 3.06Å; R180-F182 VanDerWaalsContact C-N 3.34Å; R180-F182 PolarHBondContact O-N 2.92Å
181Q98.6Very high97.9Very high136 Ų13648 Ų4864%0.63624%0.235SC*.Hα-helixtrans-62.7-40.3-178.7-179.3176.9-6.700112.3T177 V178T177-Q181 WeakPolarHBondContact O-CB 3.28Å; T177-Q181 PolarHBondContact O-N 2.86Å; V178-Q181 PolarHBondContact O-N 2.7Å
182F98.6Very high97.9Very high71 Ų7148 Ų4831%0.31124%0.235SC..THydrogen-bonded Turntrans-106.712.7-174.5-61-63.9000113.9E144 V178 R180 L184E144-F182 HydrophobicContact CG-CD2 4.47Å; E144-F182 HydrophobicContact CG-CE2 4.23Å; V178-F182 HydrophobicContact CG1-CD2 4.01Å; V178-F182 WeakPolarHBondContact O-CD2 3.47Å; V178-F182 PolarHBondContact O-N 2.83Å; R180-F182 VanDerWaalsContact C-N 3.34Å; R180-F182 PolarHBondContact O-N 2.92Å; F182-L184 VanDerWaalsContact C-N 3.27Å; F182-L184 HydrophobicContact CB-CD1 3.77Å; F182-L184 HydrophobicContact CB-CG 3.77Å; F182-L184 PolarHBondContact O-N 3.26Å
183N98.5Very high97.8Very high151 Ų15151.1 Ų51.181%0.80725%0.25SS*.THydrogen-bonded Turntrans50.246.1-176.2-167.443.3000113.1A179A179-N183 CarbonylContact O-C 3.57Å; A179-N183 WeakPolarHBondContact O-CA 3.29Å; A179-N183 PolarHBondContact O-N 2.84Å
184L98.7Very high97.7Very high25 Ų2546.4 Ų46.413%0.13123%0.227CC..  trans-101.3177.5176.8-51.1170.7000110.3V147 R148 T151 V178 A179 F182V147-L184 HydrophobicContact CB-CD1 4.46Å; V147-L184 HydrophobicContact CG1-CB 3.88Å; V147-L184 HydrophobicContact CG1-CD1 3.81Å; R148-L184 HydrophobicContact CB-CD1 4.4Å; R148-L184 HydrophobicContact CG-CD1 3.51Å; R148-L184 HydrophobicContact CG-CD2 4.43Å; T151-L184 HydrophobicContact CG2-CB 4.24Å; T151-L184 HydrophobicContact CG2-CD2 4.03Å; T151-L184 WeakPolarHBondContact OG1-CB 3.48Å; V178-L184 HydrophobicContact CG1-CD1 4.24Å; A179-L184 HydrophobicContact CB-CB 4.37Å; A179-L184 PolarHBondContact O-N 3.43Å; F182-L184 VanDerWaalsContact C-N 3.27Å; F182-L184 HydrophobicContact CB-CD1 3.77Å; F182-L184 HydrophobicContact CB-CG 3.77Å; F182-L184 PolarHBondContact O-N 3.26Å
185I98.5Very high97.6Very high49 Ų4941.8 Ų41.825%0.25121%0.205SC..PPolyproline II helixtrans-93.4119.1-178.4-59.6172.2000109.2T151 I154 W162T151-I185 HydrophobicContact CG2-CB 4.43Å; T151-I185 HydrophobicContact CG2-CD1 4.19Å; T151-I185 HydrophobicContact CG2-CG1 4.03Å; T151-I185 PolarHBondContact OG1-N 3.25Å; I154-I185 HydrophobicContact CB-CD1 3.99Å; I154-I185 HydrophobicContact CD1-CB 4.3Å; I154-I185 HydrophobicContact CD1-CD1 4.03Å; I154-I185 HydrophobicContact CD1-CG2 3.84Å; I154-I185 HydrophobicContact CG2-CD1 3.61Å; W162-I185 PolarHBondContact NE1-O 3.05Å
186P98.3Very high97.5Very high23 Ų2341.8 Ų41.815%0.14921%0.205CC..PPolyproline II helixtrans-74.6163.8178.130.1-34.2000112.7W162 A179W162-P186 VanDerWaalsContact NE1-C 3.32Å; W162-P186 PolarHBondContact NE1-O 3.38Å; A179-P186 HydrophobicContact CB-CB 3.78Å; A179-P186 HydrophobicContact CB-CG 4.43Å
187P98.3Very high97.3Very high3 Ų342.5 Ų42.52%0.01921%0.209CC..PPolyproline II helixtrans-65.1138.7174.128-32.2000110.5W162 T164 A175 Q176W162-P187 HydrophobicContact CD2-CB 4.11Å; W162-P187 HydrophobicContact CE3-CB 4.07Å; W162-P187 HydrophobicContact CH2-CB 3.82Å; W162-P187 HydrophobicContact CH2-CG 3.96Å; W162-P187 HydrophobicContact CZ2-CB 3.85Å; W162-P187 HydrophobicContact CZ2-CG 4.03Å; W162-P187 HydrophobicContact CZ3-CB 3.92Å; W162-P187 HydrophobicContact CZ3-CG 4.48Å; W162-P187 WeakPolarHBondContact O-CA 3.28Å; T164-P187 HydrophobicContact CG2-CB 4Å; T164-P187 HydrophobicContact CG2-CG 4.3Å; A175-P187 HydrophobicContact CB-CG 4.16Å; Q176-P187 PolarHBondContact NE2-O 2.98Å
188S97.9Very high96.9Very high20 Ų2040.9 Ų40.914%0.1420%0.198CC..  trans-100.9-19.4-176.1-65.50000113.6W162 G215W162-S188 PolarHBondContact O-N 3.2Å; S188-G215 PolarHBondContact O-N 3.47Å
189V98.1Very high96.6Very high0 Ų042.7 Ų42.70%021%0.205CC..EExtended strand (participates in β ladder)trans-143.7148.6-178.756.40000110.4L18 I130 I132 G163 T164 G215 M217L18-V189 HydrophobicContact CD1-CB 3.9Å; L18-V189 HydrophobicContact CD1-CG2 3.69Å; L18-V189 HydrophobicContact CD2-CB 3.96Å; L18-V189 HydrophobicContact CD2-CG1 4.11Å; L18-V189 HydrophobicContact CG-CB 3.99Å; L18-V189 HydrophobicContact CG-CG2 4.35Å; I130-V189 HydrophobicContact CG2-CG1 3.76Å; I132-V189 HydrophobicContact CD1-CG1 3.51Å; G163-V189 CarbonylContact C-O 3.58Å; G163-V189 WeakPolarHBondContact CA-O 3.5Å; T164-V189 PolarHBondContact N-O 3.48Å; V189-G215 CarbonylContact C-O 3.42Å; V189-G215 VanDerWaalsContact CA-O 3.24Å; V189-G215 WeakPolarHBondContact CA-O 3.3Å; V189-G215 WeakPolarHBondContact CG2-O 3.46Å; V189-M217 HydrophobicContact CG2-CB 4.01Å; V189-M217 HydrophobicContact CG2-CG 3.72Å; V189-M217 HydrophobicContact CG2-SD 3.97Å
190D97.5Very high96Very high0 Ų045 Ų450%022%0.221CC..EExtended strand (participates in β ladder)trans-119.2127.4165.4-178.380.8000109T164 N192 Y201 M205 I214 G215 M217T164-D190 CarbonylContact O-C 3.6Å; T164-D190 WeakPolarHBondContact O-CA 3.27Å; T164-D190 WeakPolarHBondContact OG1-CB 3.46Å; T164-D190 PolarHBondContact OG1-OD1 3.3Å; D190-N192 VanDerWaalsContact CG-ND2 3.29Å; D190-N192 PolarHBondContact OD1-ND2 3.01Å; D190-N192 PolarHBondContact OD2-ND2 2.84Å; D190-Y201 WeakPolarHBondContact OD2-CE2 3.42Å; D190-Y201 PolarHBondContact OD2-OH 3.49Å; D190-M205 HydrophobicContact CB-CE 4.49Å; D190-I214 HydrophobicContact CB-CG2 4.15Å; D190-G215 PolarHBondContact N-O 3.33Å; D190-M217 PolarHBondContact O-N 3.34Å
191Q97.2Very high95.4Very high7 Ų736.9 Ų36.93%0.03319%0.19CC..EExtended strand (participates in β ladder)trans-119111.5-175.8-172.2-165.7-2.500111.4I132 T164 S165 M217I132-Q191 HydrophobicContact CD1-CB 4.28Å; I132-Q191 HydrophobicContact CG2-CB 4.44Å; T164-Q191 PolarHBondContact O-N 3.13Å; S165-Q191 WeakPolarHBondContact CA-O 3.49Å; S165-Q191 WeakPolarHBondContact CB-O 3.49Å; S165-Q191 PolarHBondContact OG-O 2.84Å; Q191-M217 VanDerWaalsContact CA-O 3.23Å; Q191-M217 WeakPolarHBondContact CA-O 3.39Å; Q191-M217 HydrophobicContact CB-CB 4.07Å; Q191-M217 HydrophobicContact CG-CB 3.87Å
192N95.6Very high94.6Very high29 Ų2932 Ų3216%0.15517%0.168CC..EExtended strand (participates in β ladder)trans-142.9168.5-178.6-76.5-69.1000112.5G166 D190 Y201 M217 T218 G219G166-N192 PolarHBondContact N-OD1 3.07Å; D190-N192 VanDerWaalsContact CG-ND2 3.29Å; D190-N192 PolarHBondContact OD1-ND2 3.01Å; D190-N192 PolarHBondContact OD2-ND2 2.84Å; N192-Y201 HydrophobicContact CB-CD2 3.45Å; N192-Y201 VanDerWaalsContact CB-CD2 3.45Å; N192-Y201 HydrophobicContact CB-CE2 3.56Å; N192-Y201 HydrophobicContact CB-CG 4.01Å; N192-M217 PolarHBondContact N-O 2.82Å; N192-T218 CarbonylContact O-C 3.4Å; N192-T218 WeakPolarHBondContact O-CA 3.48Å; N192-G219 PolarHBondContact O-N 3.36Å
193E94.9Very high93.9Very high67 Ų6736 Ų3631%0.31319%0.188SC..EExtended strand (participates in β ladder)trans-65.4135.2176.4177.3174.8146.600111.4N195 N198 Y201 G219E193-N195 PolarHBondContact OE1-ND2 2.88Å; E193-N198 PolarHBondContact OE1-ND2 2.91Å; E193-Y201 WeakPolarHBondContact O-CB 3.45Å; E193-G219 WeakPolarHBondContact CA-O 2.94Å
194L95.4Very high93.2Very high1 Ų133.5 Ų33.51%0.00518%0.175CC..  trans-145.8128.7166.6179.766.8000109.4Y201 L202 T218 G219 W286 I293L194-Y201 HydrophobicContact CB-CD1 4.47Å; L194-L202 HydrophobicContact CD1-CD1 3.92Å; L194-L202 HydrophobicContact CD1-CG 3.75Å; L194-L202 HydrophobicContact CD2-CD1 3.83Å; L194-L202 HydrophobicContact CD2-CD2 4.18Å; L194-L202 HydrophobicContact CD2-CG 3.86Å; L194-L202 HydrophobicContact CG-CG 4.47Å; L194-T218 HydrophobicContact CB-CG2 3.68Å; L194-T218 HydrophobicContact CD2-CG2 3.92Å; L194-T218 HydrophobicContact CG-CG2 4.46Å; L194-G219 PolarHBondContact N-O 3.29Å; L194-W286 HydrophobicContact CD1-CH2 4.29Å; L194-W286 HydrophobicContact CD1-CZ3 4.13Å; L194-W286 HydrophobicContact CD2-CZ3 4.36Å; L194-W286 HydrophobicContact CG-CZ3 4.07Å; L194-I293 HydrophobicContact CD2-CD1 3.41Å; L194-I293 VanDerWaalsContact CD2-CD1 3.41Å
195N95.5Very high92.8Very high0 Ų032.6 Ų32.60%017%0.17CC..BIsolated β-bridgetrans-155174.4171.757.773.2000111E193 L197 N198 S220 P221 L227E193-N195 PolarHBondContact OE1-ND2 2.88Å; N195-L197 PolarHBondContact O-N 2.89Å; N195-L197 WeakPolarHBondContact OD1-CA 3.36Å; N195-L197 PolarHBondContact OD1-N 3.4Å; N195-N198 PolarHBondContact N-O 2.87Å; N195-N198 CarbonylContact O-C 3.31Å; N195-N198 VanDerWaalsContact O-C 3.26Å; N195-N198 PolarHBondContact O-N 2.88Å; N195-N198 VanDerWaalsContact O-N 3.1Å; N195-N198 PolarHBondContact OD1-N 2.94Å; N195-S220 PolarHBondContact ND2-O 3.1Å; N195-P221 WeakPolarHBondContact CB-O 3.37Å; N195-L227 HydrophobicContact CB-CD1 3.73Å
196L94.7Very high92.2Very high1 Ų135 Ų351%0.00518%0.176CC..THydrogen-bonded Turntrans-56.7-32.8-178.9-78.9167.8000113K199 L227 L268 A283 W286 L331L196-K199 WeakPolarHBondContact O-CE 3.1Å; L196-L227 HydrophobicContact CB-CD1 4.15Å; L196-L227 HydrophobicContact CB-CD2 3.99Å; L196-L227 HydrophobicContact CD1-CD2 4.22Å; L196-L268 HydrophobicContact CD1-CD1 4.05Å; L196-L268 HydrophobicContact CD1-CD2 4.21Å; L196-A283 HydrophobicContact CD1-CB 3.9Å; L196-W286 HydrophobicContact CD2-CB 3.97Å; L196-W286 HydrophobicContact CD2-CD2 3.42Å; L196-W286 VanDerWaalsContact CD2-CD2 3.42Å; L196-W286 HydrophobicContact CD2-CE3 3.99Å; L196-W286 HydrophobicContact CD2-CG 3.39Å; L196-W286 HydrophobicContact CD2-CZ2 4.43Å; L196-W286 HydrophobicContact CG-CB 4.3Å; L196-W286 HydrophobicContact CG-CD2 4.06Å; L196-W286 HydrophobicContact CG-CE3 4.17Å; L196-W286 HydrophobicContact CG-CG 4.12Å; L196-L331 HydrophobicContact CB-CD1 4Å; L196-L331 HydrophobicContact CD2-CD1 3.68Å; L196-L331 HydrophobicContact CG-CD1 4.43Å; L196-L331 WeakPolarHBondContact O-CD1 3.27Å
197L93.1Very high91.9Very high32 Ų3239.8 Ų39.817%0.16820%0.196CC..THydrogen-bonded Turntrans-90-9.4-178.3-59.7173.7000113.3N195 I226 L227 Q261 V265 L331N195-L197 PolarHBondContact O-N 2.89Å; N195-L197 WeakPolarHBondContact OD1-CA 3.36Å; N195-L197 PolarHBondContact OD1-N 3.4Å; L197-I226 HydrophobicContact CD1-CG2 3.98Å; L197-L227 HydrophobicContact CD1-CD2 4.15Å; L197-L227 HydrophobicContact CD1-CG 4.16Å; L197-L227 HydrophobicContact CG-CD1 4.48Å; L197-L227 HydrophobicContact CG-CD2 4.02Å; L197-L227 HydrophobicContact CG-CG 4.35Å; L197-Q261 HydrophobicContact CD1-CB 4.33Å; L197-Q261 HydrophobicContact CD1-CG 4.37Å; L197-Q261 HydrophobicContact CD2-CG 4.33Å; L197-V265 HydrophobicContact CD1-CG2 4.39Å; L197-L331 HydrophobicContact CD2-CD2 3.85Å
198N91.2Very high91.7Very high51 Ų5141 Ų4127%0.27320%0.202SC..BIsolated β-bridgetrans-142.996.6-179.9-175.61.6000110.1E193 N195 S200E193-N198 PolarHBondContact OE1-ND2 2.91Å; N195-N198 PolarHBondContact N-O 2.87Å; N195-N198 CarbonylContact O-C 3.31Å; N195-N198 VanDerWaalsContact O-C 3.26Å; N195-N198 PolarHBondContact O-N 2.88Å; N195-N198 VanDerWaalsContact O-N 3.1Å; N195-N198 PolarHBondContact OD1-N 2.94Å; N198-S200 WeakPolarHBondContact OD1-CB 3.43Å; N198-S200 PolarHBondContact OD1-N 3.29Å; N198-S200 PolarHBondContact OD1-OG 3.26Å
199K90.7Very high91.5Very high48 Ų4840 Ų4021%0.20920%0.195CC..  trans-100.50.1-177.8-52.2-177.3-175.4171.10113.4L196 Y201 L202 W286 D328L196-K199 WeakPolarHBondContact O-CE 3.1Å; K199-Y201 PolarHBondContact O-N 3.32Å; K199-Y201 VanDerWaalsContact O-N 3.14Å; K199-L202 PolarHBondContact O-N 3.25Å; K199-W286 HydrophobicContact CD-CH2 4.04Å; K199-W286 HydrophobicContact CD-CZ2 3.95Å; K199-W286 HydrophobicContact CG-CH2 3.83Å; K199-W286 HydrophobicContact CG-CZ2 4.27Å; K199-D328 IonicContact NZ-OD1 3.79Å; K199-D328 PolarHBondContact NZ-OD1 3.45Å
200S87.4Confident91.2Very high49 Ų4942.8 Ų42.834%0.34321%0.21SC..Hα-helixtrans-54.1-36.9-172.560.10000113.1N198 L202 Q203 N204N198-S200 WeakPolarHBondContact OD1-CB 3.43Å; N198-S200 PolarHBondContact OD1-N 3.29Å; N198-S200 PolarHBondContact OD1-OG 3.26Å; S200-L202 PolarHBondContact O-N 2.88Å; S200-Q203 WeakPolarHBondContact O-CB 3.37Å; S200-Q203 PolarHBondContact O-N 2.81Å; S200-Q203 VanDerWaalsContact O-N 3.11Å; S200-N204 PolarHBondContact O-N 3.08Å; S200-N204 VanDerWaalsContact O-N 3.08Å; S200-N204 PolarHBondContact O-ND2 3.08Å
201Y84.7Confident91Very high12 Ų1249.8 Ų49.85%0.04724%0.24CC..Hα-helixtrans-57.5-46.2177.8175.9-110.9000113.1D190 N192 E193 L194 K199 Q203 N204 M205 I216 T218D190-Y201 WeakPolarHBondContact OD2-CE2 3.42Å; D190-Y201 PolarHBondContact OD2-OH 3.49Å; N192-Y201 HydrophobicContact CB-CD2 3.45Å; N192-Y201 VanDerWaalsContact CB-CD2 3.45Å; N192-Y201 HydrophobicContact CB-CE2 3.56Å; N192-Y201 HydrophobicContact CB-CG 4.01Å; E193-Y201 WeakPolarHBondContact O-CB 3.45Å; L194-Y201 HydrophobicContact CB-CD1 4.47Å; K199-Y201 PolarHBondContact O-N 3.32Å; K199-Y201 VanDerWaalsContact O-N 3.14Å; Y201-Q203 PolarHBondContact O-N 3.27Å; Y201-N204 PolarHBondContact O-N 3.27Å; Y201-M205 HydrophobicContact CD2-CB 3.81Å; Y201-M205 HydrophobicContact CD2-CG 4Å; Y201-M205 HydrophobicContact CE2-CB 3.36Å; Y201-M205 HydrophobicContact CE2-CG 3.68Å; Y201-M205 PolarHBondContact O-N 3.29Å; Y201-I216 HydrophobicContact CE1-CG2 3.61Å; Y201-T218 HydrophobicContact CD1-CG2 4.48Å; Y201-T218 HydrophobicContact CE1-CG2 4.29Å
202L82.1Confident90.9Very high32 Ų3252.2 Ų52.217%0.16825%0.253CS..Hα-helixtrans-68.2-24.9179.3-73.2-179.4000112.6L194 K199 S200 R206L194-L202 HydrophobicContact CD1-CD1 3.92Å; L194-L202 HydrophobicContact CD1-CG 3.75Å; L194-L202 HydrophobicContact CD2-CD1 3.83Å; L194-L202 HydrophobicContact CD2-CD2 4.18Å; L194-L202 HydrophobicContact CD2-CG 3.86Å; L194-L202 HydrophobicContact CG-CG 4.47Å; K199-L202 PolarHBondContact O-N 3.25Å; S200-L202 PolarHBondContact O-N 2.88Å; L202-R206 HydrophobicContact CD2-CB 4.31Å; L202-R206 HydrophobicContact CD2-CG 4.44Å; L202-R206 WeakPolarHBondContact O-CB 3.12Å
203Q82.9Confident90.8Very high155 Ų15555.6 Ų55.672%0.72427%0.271SS*.Hα-helixtrans-75.2-38.9176.6-67170.4-24.900111.2S200 Y201S200-Q203 WeakPolarHBondContact O-CB 3.37Å; S200-Q203 PolarHBondContact O-N 2.81Å; S200-Q203 VanDerWaalsContact O-N 3.11Å; Y201-Q203 PolarHBondContact O-N 3.27Å
204N83.9Confident90.9Very high100 Ų10052.9 Ų52.954%0.53526%0.259SS..Hα-helixtrans-93.1-37.1-170.6-63.5-21.5000114P169 S200 Y201P169-N204 HydrophobicContact CG-CB 4.48Å; P169-N204 WeakPolarHBondContact CG-O 3.39Å; S200-N204 PolarHBondContact O-N 3.08Å; S200-N204 VanDerWaalsContact O-N 3.08Å; S200-N204 PolarHBondContact O-ND2 3.08Å; Y201-N204 PolarHBondContact O-N 3.27Å
205M90.2Very high90.9Very high6 Ų652.9 Ų52.93%0.0326%0.259CS..THydrogen-bonded Turntrans-111.2-23-167.7-77.7-61-65.800114.2P169 V172 D190 Y201 E207 I208 C209P169-M205 HydrophobicContact CB-SD 4.34Å; P169-M205 HydrophobicContact CG-SD 3.75Å; V172-M205 HydrophobicContact CB-CE 4.16Å; V172-M205 HydrophobicContact CG1-CE 4.34Å; V172-M205 HydrophobicContact CG2-CE 3.68Å; D190-M205 HydrophobicContact CB-CE 4.49Å; Y201-M205 HydrophobicContact CD2-CB 3.81Å; Y201-M205 HydrophobicContact CD2-CG 4Å; Y201-M205 HydrophobicContact CE2-CB 3.36Å; Y201-M205 HydrophobicContact CE2-CG 3.68Å; Y201-M205 PolarHBondContact O-N 3.29Å; M205-E207 PolarHBondContact O-N 3.33Å; M205-I208 PolarHBondContact O-N 3.18Å; M205-C209 PolarHBondContact O-N 2.81Å; M205-C209 PolarHBondContact O-SG 2.62Å
206R87.5Confident91Very high99 Ų9952.9 Ų52.937%0.37426%0.259SS..Hα-helixtrans-55.1-50.8-172.9-178.1-175.1176.1-176.5-2.2112L202 I208 C209 L210L202-R206 HydrophobicContact CD2-CB 4.31Å; L202-R206 HydrophobicContact CD2-CG 4.44Å; L202-R206 WeakPolarHBondContact O-CB 3.12Å; R206-I208 VanDerWaalsContact C-N 3.29Å; R206-I208 PolarHBondContact O-N 3.5Å; R206-C209 PolarHBondContact O-N 2.93Å; R206-L210 HydrophobicContact CG-CD1 3.92Å; R206-L210 HydrophobicContact CG-CG 4.34Å; R206-L210 WeakPolarHBondContact O-CG 3.33Å; R206-L210 PolarHBondContact O-N 3.26Å
207E91.2Very high91.2Very high124 Ų12452.9 Ų52.958%0.57926%0.259SS*.Hα-helixtrans-62.8-38.7-175-173.7171.8179.300112.1M205 L210 K211M205-E207 PolarHBondContact O-N 3.33Å; E207-L210 PolarHBondContact O-N 2.65Å; E207-K211 HydrophobicContact CG-CD 4.25Å; E207-K211 WeakPolarHBondContact O-CG 3.38Å; E207-K211 PolarHBondContact O-N 2.68Å; E207-K211 WeakPolarHBondContact OE1-CE 3.31Å; E207-K211 IonicContact OE1-NZ 2.76Å; E207-K211 PolarHBondContact OE1-NZ 3.17Å; E207-K211 VanDerWaalsContact OE1-NZ 3.08Å
208I93.3Very high91.4Very high27 Ų2751.3 Ų51.314%0.13825%0.251CS..Hα-helixtrans-65.5-49177.3-71.7176000110.7P169 V172 M173 M205 R206 L210 K211 L212P169-I208 HydrophobicContact CB-CD1 3.32Å; P169-I208 HydrophobicContact CG-CD1 4.18Å; V172-I208 HydrophobicContact CG1-CG2 4.33Å; M173-I208 HydrophobicContact CG-CD1 4.34Å; M173-I208 HydrophobicContact CG-CG2 4.19Å; M173-I208 HydrophobicContact SD-CD1 4.1Å; M173-I208 HydrophobicContact SD-CG1 4.42Å; M205-I208 PolarHBondContact O-N 3.18Å; R206-I208 VanDerWaalsContact C-N 3.29Å; R206-I208 PolarHBondContact O-N 3.5Å; I208-L210 PolarHBondContact O-N 2.61Å; I208-K211 PolarHBondContact O-N 3.44Å; I208-L212 HydrophobicContact CG2-CD1 3.54Å; I208-L212 WeakPolarHBondContact O-CB 2.84Å; I208-L212 WeakPolarHBondContact O-CG 3.32Å; I208-L212 PolarHBondContact O-N 2.96Å
209C93.9Very high91.6Very high1 Ų149.5 Ų49.51%0.00724%0.244CC..Hα-helixtrans-59.4-38.5177.7-67.10000111.7M205 R206 N213 I214 I216M205-C209 PolarHBondContact O-N 2.81Å; M205-C209 PolarHBondContact O-SG 2.62Å; R206-C209 PolarHBondContact O-N 2.93Å; C209-N213 CarbonylContact O-C 3.6Å; C209-N213 VanDerWaalsContact O-CA 3.32Å; C209-N213 WeakPolarHBondContact O-CA 3.45Å; C209-N213 PolarHBondContact O-N 3.42Å; C209-I214 HydrophobicContact CB-CB 4.24Å; C209-I214 PolarHBondContact O-N 2.7Å; C209-I216 HydrophobicContact CB-CD1 3.86Å; C209-I216 HydrophobicContact CB-CG1 3.76Å
210L92Very high91.9Very high58 Ų5849.7 Ų49.730%0.30425%0.252SS..Hα-helixtrans-66.8-49176.6-67.3178.4000113.1R206 E207 I208 L212 N213 H292R206-L210 HydrophobicContact CG-CD1 3.92Å; R206-L210 HydrophobicContact CG-CG 4.34Å; R206-L210 WeakPolarHBondContact O-CG 3.33Å; R206-L210 PolarHBondContact O-N 3.26Å; E207-L210 PolarHBondContact O-N 2.65Å; I208-L210 PolarHBondContact O-N 2.61Å; L210-L212 VanDerWaalsContact C-N 3.27Å; L210-L212 PolarHBondContact O-N 3.42Å; L210-N213 PolarHBondContact O-N 3.46Å; L210-H292 HydrophobicContact CD2-CB 3.75Å; L210-H292 VanDerWaalsContact CD2-CE1 3.46Å; L210-H292 WeakPolarHBondContact CD2-CE1 3.34Å; L210-H292 WeakPolarHBondContact CD2-ND1 3.3Å
211K94Very high92.4Very high147 Ų14747.6 Ų47.664%0.63924%0.237SC*.Hα-helixtrans-64.1-34.7-179.5-72.6-179.9-162.8-93.80112.2E207 I208E207-K211 HydrophobicContact CG-CD 4.25Å; E207-K211 WeakPolarHBondContact O-CG 3.38Å; E207-K211 PolarHBondContact O-N 2.68Å; E207-K211 WeakPolarHBondContact OE1-CE 3.31Å; E207-K211 IonicContact OE1-NZ 2.76Å; E207-K211 PolarHBondContact OE1-NZ 3.17Å; E207-K211 VanDerWaalsContact OE1-NZ 3.08Å; I208-K211 PolarHBondContact O-N 3.44Å
212L94.3Very high93Very high57 Ų5748.1 Ų48.130%0.29824%0.24SC..THydrogen-bonded Turntrans-91.5-2-179.2-61.3170.2000113.2M173 Q176 I208 L210 I214M173-L212 HydrophobicContact CG-CD1 4.39Å; Q176-L212 HydrophobicContact CG-CD1 3.76Å; Q176-L212 HydrophobicContact CG-CD2 4.07Å; Q176-L212 HydrophobicContact CG-CG 4.37Å; I208-L212 HydrophobicContact CG2-CD1 3.54Å; I208-L212 WeakPolarHBondContact O-CB 2.84Å; I208-L212 WeakPolarHBondContact O-CG 3.32Å; I208-L212 PolarHBondContact O-N 2.96Å; L210-L212 VanDerWaalsContact C-N 3.27Å; L210-L212 PolarHBondContact O-N 3.42Å; L212-I214 HydrophobicContact CB-CD1 3.85Å; L212-I214 HydrophobicContact CB-CG1 3.8Å; L212-I214 HydrophobicContact CD1-CD1 3.86Å; L212-I214 PolarHBondContact O-N 3.12Å
213N93.9Very high93.6Very high101 Ų10147.1 Ų47.154%0.5424%0.235SC..THydrogen-bonded Turntrans51.138.2-172.7-57.5-69.2000114S20 C209 L210S20-N213 PolarHBondContact N-O 3.34Å; S20-N213 PolarHBondContact OG-O 3.13Å; C209-N213 CarbonylContact O-C 3.6Å; C209-N213 VanDerWaalsContact O-CA 3.32Å; C209-N213 WeakPolarHBondContact O-CA 3.45Å; C209-N213 PolarHBondContact O-N 3.42Å; L210-N213 PolarHBondContact O-N 3.46Å
214I96.5Very high94.1Very high9 Ų940.3 Ų40.35%0.04621%0.206CC..  trans-80.6134.1172.1-61.4173.4000108V172 D190 C209 L212V172-I214 HydrophobicContact CG1-CD1 3.53Å; D190-I214 HydrophobicContact CB-CG2 4.15Å; C209-I214 HydrophobicContact CB-CB 4.24Å; C209-I214 PolarHBondContact O-N 2.7Å; L212-I214 HydrophobicContact CB-CD1 3.85Å; L212-I214 HydrophobicContact CB-CG1 3.8Å; L212-I214 HydrophobicContact CD1-CD1 3.86Å; L212-I214 PolarHBondContact O-N 3.12Å
215G96.7Very high94.6Very high1 Ų136 Ų361%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-66.3147.8175.300000111.4G19 S188 V189 D190G19-G215 VanDerWaalsContact CA-N 3.32Å; S188-G215 PolarHBondContact O-N 3.47Å; V189-G215 CarbonylContact C-O 3.42Å; V189-G215 VanDerWaalsContact CA-O 3.24Å; V189-G215 WeakPolarHBondContact CA-O 3.3Å; V189-G215 WeakPolarHBondContact CG2-O 3.46Å; D190-G215 PolarHBondContact N-O 3.33Å
216I97.2Very high94.8Very high1 Ų136 Ų361%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-109.8122.7174.8-63.5173.6000108.5Y201 C209 T218 I293 S294 S295Y201-I216 HydrophobicContact CE1-CG2 3.61Å; C209-I216 HydrophobicContact CB-CD1 3.86Å; C209-I216 HydrophobicContact CB-CG1 3.76Å; I216-T218 HydrophobicContact CG2-CG2 3.89Å; I216-I293 HydrophobicContact CB-CG1 4.41Å; I216-I293 HydrophobicContact CG2-CG1 3.84Å; I216-S294 WeakPolarHBondContact O-CB 3.48Å; I216-S294 PolarHBondContact O-N 3.32Å; I216-S295 PolarHBondContact O-N 3.4Å
217M97.8Very high95.3Very high0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-112.2143.5164.6-72.2-179.364.400109L18 V59 I130 V189 D190 Q191 N192 S295 V297L18-M217 HydrophobicContact CD1-CG 3.85Å; L18-M217 HydrophobicContact CD1-SD 3.83Å; V59-M217 HydrophobicContact CG1-CE 4.12Å; I130-M217 HydrophobicContact CD1-SD 4.34Å; V189-M217 HydrophobicContact CG2-CB 4.01Å; V189-M217 HydrophobicContact CG2-CG 3.72Å; V189-M217 HydrophobicContact CG2-SD 3.97Å; D190-M217 PolarHBondContact O-N 3.34Å; Q191-M217 VanDerWaalsContact CA-O 3.23Å; Q191-M217 WeakPolarHBondContact CA-O 3.39Å; Q191-M217 HydrophobicContact CB-CB 4.07Å; Q191-M217 HydrophobicContact CG-CB 3.87Å; N192-M217 PolarHBondContact N-O 2.82Å; M217-S295 CarbonylContact C-O 3.5Å; M217-S295 VanDerWaalsContact CA-O 3.3Å; M217-S295 WeakPolarHBondContact CA-O 3.36Å; M217-V297 HydrophobicContact CE-CG2 4.02Å
218T97.4Very high95.5Very high0 Ų027.2 Ų27.20%015%0.152CC..EExtended strand (participates in β ladder)trans-125.3136.6-179.963.40000112.7N192 L194 Y201 I216 I293 S295 V296 V297N192-T218 CarbonylContact O-C 3.4Å; N192-T218 WeakPolarHBondContact O-CA 3.48Å; L194-T218 HydrophobicContact CB-CG2 3.68Å; L194-T218 HydrophobicContact CD2-CG2 3.92Å; L194-T218 HydrophobicContact CG-CG2 4.46Å; Y201-T218 HydrophobicContact CD1-CG2 4.48Å; Y201-T218 HydrophobicContact CE1-CG2 4.29Å; I216-T218 HydrophobicContact CG2-CG2 3.89Å; T218-I293 HydrophobicContact CG2-CD1 3.87Å; T218-I293 HydrophobicContact CG2-CG1 4.33Å; T218-I293 HydrophobicContact CG2-CG2 4.26Å; T218-S295 PolarHBondContact N-O 2.99Å; T218-V296 CarbonylContact O-C 3.58Å; T218-V297 PolarHBondContact O-N 2.7Å
219G96.6Very high95.6Very high13 Ų1326.7 Ų26.713%0.13415%0.153CC..EExtended strand (participates in β ladder)trans-102170.4174.500000113.1N192 E193 L194 P221N192-G219 PolarHBondContact O-N 3.36Å; E193-G219 WeakPolarHBondContact CA-O 2.94Å; L194-G219 PolarHBondContact N-O 3.29Å; G219-P221 VanDerWaalsContact C-CD 3.48Å
220S96.6Very high95.7Very high52 Ų5230.1 Ų30.136%0.36417%0.168SC..  trans50.946.3172.7-65.20000115.6N195 L222 N223N195-S220 PolarHBondContact ND2-O 3.1Å; S220-L222 PolarHBondContact O-N 3.38Å; S220-N223 PolarHBondContact O-N 3.27Å
221P97.7Very high95.9Very high4 Ų427.6 Ų27.63%0.02615%0.154CC..THydrogen-bonded Turntrans-62-21.1-179.128.2-37.1000113.1N195 G219 L227 I284 V296 V297 I298N195-P221 WeakPolarHBondContact CB-O 3.37Å; G219-P221 VanDerWaalsContact C-CD 3.48Å; P221-L227 WeakPolarHBondContact O-CD1 3.43Å; P221-I284 HydrophobicContact CB-CG1 4.04Å; P221-I284 HydrophobicContact CG-CG1 4.08Å; P221-V296 HydrophobicContact CB-CG1 3.71Å; P221-V296 HydrophobicContact CG-CG1 3.73Å; P221-V297 WeakPolarHBondContact CD-O 3.34Å; P221-I298 HydrophobicContact CG-CG2 4.03Å
222L97.4Very high95.8Very high24 Ų2422.1 Ų22.113%0.12613%0.131CC..THydrogen-bonded Turntrans-102.23.3178.7-58.3-178.7000113.9S220 G225 I226 L227 T228 A280 A283 I284S220-L222 PolarHBondContact O-N 3.38Å; L222-G225 CarbonylContact O-C 3.52Å; L222-G225 WeakPolarHBondContact O-CA 3.47Å; L222-G225 PolarHBondContact O-N 3.35Å; L222-I226 PolarHBondContact O-N 3.49Å; L222-L227 HydrophobicContact CD2-CB 4.36Å; L222-L227 PolarHBondContact O-N 2.96Å; L222-L227 VanDerWaalsContact O-N 3.13Å; L222-T228 HydrophobicContact CD1-CG2 3.99Å; L222-A280 HydrophobicContact CD1-CB 4.22Å; L222-A280 HydrophobicContact CD2-CB 3.88Å; L222-A283 HydrophobicContact CD2-CB 3.9Å; L222-I284 HydrophobicContact CD1-CD1 4.31Å; L222-I284 HydrophobicContact CD2-CD1 4.15Å; L222-I284 HydrophobicContact CD2-CG1 3.94Å; L222-I284 HydrophobicContact CG-CD1 4.32Å; L222-I284 HydrophobicContact CG-CG1 4.31Å
223N94.8Very high95.7Very high10 Ų1025.9 Ų25.95%0.05315%0.152CC..G310 helixtrans47.264.4179-173.611.7000112.6S220 G225 I226 L227 K252S220-N223 PolarHBondContact O-N 3.27Å; N223-G225 PolarHBondContact O-N 3.4Å; N223-G225 VanDerWaalsContact O-N 3.13Å; N223-I226 HydrophobicContact CB-CB 4.47Å; N223-I226 WeakPolarHBondContact O-CB 3.01Å; N223-I226 WeakPolarHBondContact O-CD1 3.1Å; N223-I226 WeakPolarHBondContact O-CG1 3.41Å; N223-I226 PolarHBondContact O-N 3.42Å; N223-I226 VanDerWaalsContact O-N 3.12Å; N223-L227 HydrophobicContact CB-CD1 4.22Å; N223-K252 PolarHBondContact ND2-NZ 3.34Å; N223-K252 PolarHBondContact OD1-NZ 3.47Å
224G92.7Very high95.5Very high12 Ų1224.8 Ų24.812%0.12415%0.151CC..G310 helixtrans66.813.6-176.900000115.1Y231G224-Y231 PolarHBondContact O-OH 3Å
225G94.6Very high95.4Very high11 Ų1126.4 Ų26.411%0.11316%0.16CC..G310 helixtrans93.20.6-17600000114.1L222 N223 L227 T228L222-G225 CarbonylContact O-C 3.52Å; L222-G225 WeakPolarHBondContact O-CA 3.47Å; L222-G225 PolarHBondContact O-N 3.35Å; N223-G225 PolarHBondContact O-N 3.4Å; N223-G225 VanDerWaalsContact O-N 3.13Å; G225-L227 VanDerWaalsContact C-N 3.31Å; G225-L227 PolarHBondContact O-N 3.42Å; G225-T228 WeakPolarHBondContact O-CB 3.49Å; G225-T228 WeakPolarHBondContact O-CG2 3.47Å; G225-T228 PolarHBondContact O-N 3.17Å; G225-T228 VanDerWaalsContact O-N 3.14Å; G225-T228 PolarHBondContact O-OG1 2.91Å
226I95.3Very high95.2Very high6 Ų628.3 Ų28.33%0.03117%0.172CC..G310 helixtrans-57.1-44.7178.1-63.3173.2000111.6L197 L222 N223 T228 G229 Y231 K252 L253 V265L197-I226 HydrophobicContact CD1-CG2 3.98Å; L222-I226 PolarHBondContact O-N 3.49Å; N223-I226 HydrophobicContact CB-CB 4.47Å; N223-I226 WeakPolarHBondContact O-CB 3.01Å; N223-I226 WeakPolarHBondContact O-CD1 3.1Å; N223-I226 WeakPolarHBondContact O-CG1 3.41Å; N223-I226 PolarHBondContact O-N 3.42Å; N223-I226 VanDerWaalsContact O-N 3.12Å; I226-T228 PolarHBondContact O-N 3.48Å; I226-G229 PolarHBondContact O-N 3.07Å; I226-Y231 HydrophobicContact CB-CD2 4.37Å; I226-Y231 HydrophobicContact CG1-CD2 3.89Å; I226-Y231 HydrophobicContact CG1-CE2 4.1Å; I226-K252 HydrophobicContact CD1-CD 4.33Å; I226-L253 HydrophobicContact CD1-CD2 4.05Å; I226-L253 HydrophobicContact CD1-CG 4.26Å; I226-L253 HydrophobicContact CG1-CD2 3.87Å; I226-L253 HydrophobicContact CG1-CG 4.32Å; I226-V265 HydrophobicContact CG2-CG2 4.07Å
227L97Very high94.8Very high0 Ų034.7 Ų34.70%021%0.206CC..G310 helixtrans-74.46.5-178.6-74.2162.9000114.4N195 L196 L197 P221 L222 N223 G225 V265 L268 C279 A280 A283N195-L227 HydrophobicContact CB-CD1 3.73Å; L196-L227 HydrophobicContact CB-CD1 4.15Å; L196-L227 HydrophobicContact CB-CD2 3.99Å; L196-L227 HydrophobicContact CD1-CD2 4.22Å; L197-L227 HydrophobicContact CD1-CD2 4.15Å; L197-L227 HydrophobicContact CD1-CG 4.16Å; L197-L227 HydrophobicContact CG-CD1 4.48Å; L197-L227 HydrophobicContact CG-CD2 4.02Å; L197-L227 HydrophobicContact CG-CG 4.35Å; P221-L227 WeakPolarHBondContact O-CD1 3.43Å; L222-L227 HydrophobicContact CD2-CB 4.36Å; L222-L227 PolarHBondContact O-N 2.96Å; L222-L227 VanDerWaalsContact O-N 3.13Å; N223-L227 HydrophobicContact CB-CD1 4.22Å; G225-L227 VanDerWaalsContact C-N 3.31Å; G225-L227 PolarHBondContact O-N 3.42Å; L227-V265 HydrophobicContact CD2-CG2 4.21Å; L227-L268 HydrophobicContact CD2-CD1 3.63Å; L227-C279 CarbonylContact O-C 3.58Å; L227-C279 VanDerWaalsContact O-C 3.31Å; L227-C279 WeakPolarHBondContact O-CB 3.29Å; L227-C279 PolarHBondContact O-SG 3.05Å; L227-A280 PolarHBondContact O-N 3.05Å; L227-A283 HydrophobicContact CB-CB 3.96Å; L227-A283 HydrophobicContact CD1-CB 4.2Å
228T96.6Very high94.2Very high38 Ų3843.5 Ų43.523%0.23325%0.245CC..G310 helixtrans-83.6-17.7169.466.90000112.6L222 G225 I226 K230 A280L222-T228 HydrophobicContact CD1-CG2 3.99Å; G225-T228 WeakPolarHBondContact O-CB 3.49Å; G225-T228 WeakPolarHBondContact O-CG2 3.47Å; G225-T228 PolarHBondContact O-N 3.17Å; G225-T228 VanDerWaalsContact O-N 3.14Å; G225-T228 PolarHBondContact O-OG1 2.91Å; I226-T228 PolarHBondContact O-N 3.48Å; T228-K230 VanDerWaalsContact C-N 3.29Å; T228-K230 WeakPolarHBondContact OG1-CB 3.35Å; T228-K230 WeakPolarHBondContact OG1-CE 3.15Å; T228-K230 WeakPolarHBondContact OG1-CG 3.43Å; T228-K230 PolarHBondContact OG1-N 3.41Å; T228-A280 HydrophobicContact CG2-CB 4.1Å
229G95.3Very high93.9Very high15 Ų1543.9 Ų43.916%0.15525%0.247CC..THydrogen-bonded Turntrans84.4-5.8-170.800000114.6I226 Y231 I232I226-G229 PolarHBondContact O-N 3.07Å; G229-Y231 PolarHBondContact O-N 3.24Å; G229-I232 WeakPolarHBondContact O-CB 3.18Å; G229-I232 WeakPolarHBondContact O-CD1 3.49Å; G229-I232 VanDerWaalsContact O-CG1 3.22Å; G229-I232 WeakPolarHBondContact O-CG1 3.42Å; G229-I232 PolarHBondContact O-N 2.91Å; G229-I232 VanDerWaalsContact O-N 3.08Å
230K95.2Very high93.7Very high74 Ų7445.6 Ų45.632%0.32225%0.25SC..THydrogen-bonded Turntrans-62-20.7-176.979.9-178.274.2-171.40114.7T228 P236T228-K230 VanDerWaalsContact C-N 3.29Å; T228-K230 WeakPolarHBondContact OG1-CB 3.35Å; T228-K230 WeakPolarHBondContact OG1-CE 3.15Å; T228-K230 WeakPolarHBondContact OG1-CG 3.43Å; T228-K230 PolarHBondContact OG1-N 3.41Å; K230-P236 HydrophobicContact CB-CG 4.41Å; K230-P236 WeakPolarHBondContact O-CD 3.4Å; K230-P236 VanDerWaalsContact O-CG 3.23Å; K230-P236 WeakPolarHBondContact O-CG 3.49Å
231Y95.3Very high93.5Very high4 Ų443.3 Ų43.32%0.01623%0.234CC..THydrogen-bonded Turntrans-100.59.2179.8-52.6-58.2000113.7G224 I226 G229 D233 C234 I235 P236 S239 A241 L253 R262G224-Y231 PolarHBondContact O-OH 3Å; I226-Y231 HydrophobicContact CB-CD2 4.37Å; I226-Y231 HydrophobicContact CG1-CD2 3.89Å; I226-Y231 HydrophobicContact CG1-CE2 4.1Å; G229-Y231 PolarHBondContact O-N 3.24Å; Y231-D233 PolarHBondContact O-N 2.81Å; Y231-C234 VanDerWaalsContact CA-O 3.3Å; Y231-C234 WeakPolarHBondContact CA-O 3.31Å; Y231-I235 HydrophobicContact CE1-CG2 4.41Å; Y231-P236 VanDerWaalsContact CD1-CD 3.49Å; Y231-S239 WeakPolarHBondContact CE1-OG 3.35Å; Y231-A241 HydrophobicContact CE1-CB 3.91Å; Y231-A241 PolarHBondContact OH-N 3.45Å; Y231-L253 HydrophobicContact CD1-CD1 3.89Å; Y231-L253 HydrophobicContact CD2-CD1 3.63Å; Y231-L253 HydrophobicContact CD2-CD2 3.94Å; Y231-L253 HydrophobicContact CD2-CG 4.38Å; Y231-L253 HydrophobicContact CE1-CD1 4.19Å; Y231-L253 HydrophobicContact CE2-CD1 3.97Å; Y231-L253 HydrophobicContact CG-CD1 3.62Å; Y231-L253 HydrophobicContact CG-CD2 4.04Å; Y231-R262 VanDerWaalsContact O-CZ 3.22Å; Y231-R262 PolarHBondContact O-NE 2.94Å; Y231-R262 PolarHBondContact O-NH2 3.41Å
232I93.7Very high93.2Very high32 Ų3246.2 Ų46.216%0.16425%0.252CS..SBendtrans-60.9-45-175.4-72.2165.2000111.3G229 R262 V265 K266G229-I232 WeakPolarHBondContact O-CB 3.18Å; G229-I232 WeakPolarHBondContact O-CD1 3.49Å; G229-I232 VanDerWaalsContact O-CG1 3.22Å; G229-I232 WeakPolarHBondContact O-CG1 3.42Å; G229-I232 PolarHBondContact O-N 2.91Å; G229-I232 VanDerWaalsContact O-N 3.08Å; I232-R262 VanDerWaalsContact C-NH2 3.35Å; I232-R262 VanDerWaalsContact O-CZ 3.31Å; I232-R262 PolarHBondContact O-NE 2.81Å; I232-R262 VanDerWaalsContact O-NE 3.08Å; I232-R262 PolarHBondContact O-NH2 2.85Å; I232-V265 HydrophobicContact CD1-CG1 4.18Å; I232-V265 HydrophobicContact CG1-CG1 4.16Å; I232-K266 HydrophobicContact CD1-CB 4.21Å; I232-K266 HydrophobicContact CG2-CB 4.26Å; I232-K266 HydrophobicContact CG2-CD 4.27Å; I232-K266 HydrophobicContact CG2-CG 4.3Å
233D90.8Very high92.9Very high137 Ų13747 Ų4773%0.73326%0.255SS*.SBendtrans-101-41.6-174.4-58.1-51000112.6Y231 R262Y231-D233 PolarHBondContact O-N 2.81Å; D233-R262 PolarHBondContact O-NH2 2.97Å
234C91.2Very high92.4Very high78 Ų7854.5 Ų54.553%0.52729%0.288SS..SBendtrans-150.2176.9179.665.70000111.6Y231 P236Y231-C234 VanDerWaalsContact CA-O 3.3Å; Y231-C234 WeakPolarHBondContact CA-O 3.31Å; C234-P236 WeakPolarHBondContact O-CD 3.03Å
235I92.7Very high91.9Very high43 Ų4359.7 Ų59.722%0.22131%0.313CS..  trans-91.4110.3168.7-63175.5000107.9Y231 A241 T242 R250 L253 L254Y231-I235 HydrophobicContact CE1-CG2 4.41Å; I235-A241 HydrophobicContact CG2-CB 3.92Å; I235-T242 HydrophobicContact CG2-CG2 3.68Å; I235-R250 HydrophobicContact CD1-CG 3.96Å; I235-L253 HydrophobicContact CD1-CD1 4.49Å; I235-L253 HydrophobicContact CG1-CD1 4.4Å; I235-L254 HydrophobicContact CD1-CD2 4.25Å; I235-L254 HydrophobicContact CD1-CG 4.41Å
236P92.7Very high91.6Very high41 Ų4161.4 Ų61.427%0.26632%0.318SS..  trans-67.1147.3-179.4-19.732.6000111.7K230 Y231 C234 S239 T242K230-P236 HydrophobicContact CB-CG 4.41Å; K230-P236 WeakPolarHBondContact O-CD 3.4Å; K230-P236 VanDerWaalsContact O-CG 3.23Å; K230-P236 WeakPolarHBondContact O-CG 3.49Å; Y231-P236 VanDerWaalsContact CD1-CD 3.49Å; C234-P236 WeakPolarHBondContact O-CD 3.03Å; P236-S239 WeakPolarHBondContact O-CB 3.4Å; P236-S239 PolarHBondContact O-N 3.38Å; P236-S239 PolarHBondContact O-OG 3.48Å; P236-T242 WeakPolarHBondContact O-CG2 3.42Å
237N89Confident91.3Very high134 Ų13465.5 Ų65.572%0.71734%0.337SS*.THydrogen-bonded Turntrans-57.8146.9167.8-67.2-22.8000110.4S239N237-S239 PolarHBondContact O-N 2.93Å; N237-S239 VanDerWaalsContact O-N 3.08Å
238F86.3Confident90.9Very high186 Ų18672 Ų7282%0.81637%0.371SS*.THydrogen-bonded Turntrans62.29.4-178.6-45.8-75.5000115T242F238-T242 PolarHBondContact N-OG1 3.44Å
239S91.3Very high90.5Very high8 Ų871.3 Ų71.36%0.05637%0.366CS..SBendtrans-74.1161.6170.770.20000111Y231 P236 N237 A241 T242Y231-S239 WeakPolarHBondContact CE1-OG 3.35Å; P236-S239 WeakPolarHBondContact O-CB 3.4Å; P236-S239 PolarHBondContact O-N 3.38Å; P236-S239 PolarHBondContact O-OG 3.48Å; N237-S239 PolarHBondContact O-N 2.93Å; N237-S239 VanDerWaalsContact O-N 3.08Å; S239-A241 PolarHBondContact O-N 3.39Å; S239-T242 PolarHBondContact N-OG1 3.45Å; S239-T242 PolarHBondContact O-N 2.73Å; S239-T242 PolarHBondContact O-OG1 2.89Å
240R91.5Very high90.2Very high49 Ų4977.1 Ų77.119%0.18538%0.383CS..G310 helixtrans-56.3-35.7178.3-172.9175.1-72.8-166.4-5.9112V34 T242 L243 Q246 I249V34-R240 HydrophobicContact CG1-CG 4.13Å; R240-T242 PolarHBondContact O-N 2.68Å; R240-T242 VanDerWaalsContact O-N 3.13Å; R240-L243 HydrophobicContact CG-CD1 4.33Å; R240-L243 WeakPolarHBondContact O-CB 3.48Å; R240-L243 PolarHBondContact O-N 3.16Å; R240-L243 VanDerWaalsContact O-N 3.15Å; R240-Q246 HydrophobicContact CG-CG 4.23Å; R240-Q246 VanDerWaalsContact O-CB 3.32Å; R240-Q246 WeakPolarHBondContact O-CB 3.47Å; R240-I249 HydrophobicContact CG-CD1 3.71Å
241A92.4Very high90Very high3 Ų378.2 Ų78.23%0.02539%0.393CS..G310 helixtrans-68.3-4.8177.200000114.6Y231 I235 S239 I249 L253Y231-A241 HydrophobicContact CE1-CB 3.91Å; Y231-A241 PolarHBondContact OH-N 3.45Å; I235-A241 HydrophobicContact CG2-CB 3.92Å; S239-A241 PolarHBondContact O-N 3.39Å; A241-I249 HydrophobicContact CB-CG2 3.94Å; A241-L253 HydrophobicContact CB-CD1 3.91Å
242T91.7Very high89.8Confident66 Ų6681.6 Ų81.641%0.40541%0.408SS..G310 helixtrans-106.3-4.8174.862.10000113.3I235 P236 F238 S239 R240I235-T242 HydrophobicContact CG2-CG2 3.68Å; P236-T242 WeakPolarHBondContact O-CG2 3.42Å; F238-T242 PolarHBondContact N-OG1 3.44Å; S239-T242 PolarHBondContact N-OG1 3.45Å; S239-T242 PolarHBondContact O-N 2.73Å; S239-T242 PolarHBondContact O-OG1 2.89Å; R240-T242 PolarHBondContact O-N 2.68Å; R240-T242 VanDerWaalsContact O-N 3.13Å
243L89.9Confident89.6Confident39 Ų3980.2 Ų80.220%0.20440%0.4CS..SBendtrans-76147.2178.8-60.7176.5000110.7V34 Q39 R240 Q246V34-L243 HydrophobicContact CG1-CD1 3.67Å; Q39-L243 HydrophobicContact CB-CD1 4.02Å; Q39-L243 HydrophobicContact CG-CD1 3.78Å; Q39-L243 HydrophobicContact CG-CD2 4.21Å; R240-L243 HydrophobicContact CG-CD1 4.33Å; R240-L243 WeakPolarHBondContact O-CB 3.48Å; R240-L243 PolarHBondContact O-N 3.16Å; R240-L243 VanDerWaalsContact O-N 3.15Å; L243-Q246 HydrophobicContact CB-CB 4.19Å; L243-Q246 HydrophobicContact CB-CG 3.91Å; L243-Q246 PolarHBondContact O-N 3.4Å
244K84.3Confident89.6Confident168 Ų16878 Ų7873%0.7339%0.388SS*.THydrogen-bonded Turntrans-62.2142.2169.3-168.2178.9179.2-176.60109.7Q246K244-Q246 PolarHBondContact O-N 3.03Å
245N83.4Confident89.6Confident122 Ų12276.9 Ų76.965%0.65238%0.381SS*.THydrogen-bonded Turntrans66.420.5-175.4-49-26.6000113.9E247N245-E247 WeakPolarHBondContact CA-OE2 3.24Å; N245-E247 PolarHBondContact N-OE1 3.32Å; N245-E247 PolarHBondContact N-OE2 3.47Å; N245-E247 VanDerWaalsContact N-OE2 3.13Å
246Q88.7Confident89.5Confident46 Ų4679.8 Ų79.822%0.21541%0.405CS..  trans-127.124.4173.5-62-69-72.900111.3V34 R240 L243 K244 D248 I249V34-Q246 HydrophobicContact CG1-CG 4.49Å; R240-Q246 HydrophobicContact CG-CG 4.23Å; R240-Q246 VanDerWaalsContact O-CB 3.32Å; R240-Q246 WeakPolarHBondContact O-CB 3.47Å; L243-Q246 HydrophobicContact CB-CB 4.19Å; L243-Q246 HydrophobicContact CB-CG 3.91Å; L243-Q246 PolarHBondContact O-N 3.4Å; K244-Q246 PolarHBondContact O-N 3.03Å; Q246-D248 PolarHBondContact O-N 3.05Å; Q246-I249 PolarHBondContact O-N 3.35Å; Q246-I249 VanDerWaalsContact O-N 3.14Å
247E88.2Confident89.3Confident92 Ų9283.2 Ų83.243%0.4342%0.416SS..Hα-helixtrans-58.7-35.7-179.1-63.277.8-170.900111.2N245 I249 R250 D251N245-E247 WeakPolarHBondContact CA-OE2 3.24Å; N245-E247 PolarHBondContact N-OE1 3.32Å; N245-E247 PolarHBondContact N-OE2 3.47Å; N245-E247 VanDerWaalsContact N-OE2 3.13Å; E247-I249 PolarHBondContact O-N 3.41Å; E247-I249 VanDerWaalsContact O-N 3.15Å; E247-R250 CarbonylContact O-C 3.54Å; E247-R250 WeakPolarHBondContact O-CA 3.27Å; E247-R250 VanDerWaalsContact O-CB 3.3Å; E247-R250 WeakPolarHBondContact O-CB 3.43Å; E247-R250 PolarHBondContact O-N 3.24Å; E247-D251 PolarHBondContact O-N 3.44Å
248D89Confident89.3Confident136 Ų13676.9 Ų76.973%0.72738%0.382SS*.Hα-helixtrans-54.8-36.6176.4-68.8-14.7000113.3Q246 K252Q246-D248 PolarHBondContact O-N 3.05Å; D248-K252 WeakPolarHBondContact O-CB 3.47Å; D248-K252 PolarHBondContact O-N 3.1Å
249I88.7Confident89.5Confident25 Ų2572.6 Ų72.613%0.12837%0.367CS..Hα-helixtrans-69.9-40.7177.4-63.7173.2000109.9R240 A241 Q246 E247 L253R240-I249 HydrophobicContact CG-CD1 3.71Å; A241-I249 HydrophobicContact CB-CG2 3.94Å; Q246-I249 PolarHBondContact O-N 3.35Å; Q246-I249 VanDerWaalsContact O-N 3.14Å; E247-I249 PolarHBondContact O-N 3.41Å; E247-I249 VanDerWaalsContact O-N 3.15Å; I249-L253 HydrophobicContact CG2-CD1 4.22Å; I249-L253 WeakPolarHBondContact O-CB 3.26Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.33Å; I249-L253 PolarHBondContact O-N 3.05Å; I249-L253 VanDerWaalsContact O-N 3.07Å
250R89.3Confident89.4Confident136 Ų13674.5 Ų74.551%0.51338%0.381SS..Hα-helixtrans-63.9-45.6176.3178.7177.5178.3-178.9-0.4110.5I235 E247 K252 L253 L254I235-R250 HydrophobicContact CD1-CG 3.96Å; E247-R250 CarbonylContact O-C 3.54Å; E247-R250 WeakPolarHBondContact O-CA 3.27Å; E247-R250 VanDerWaalsContact O-CB 3.3Å; E247-R250 WeakPolarHBondContact O-CB 3.43Å; E247-R250 PolarHBondContact O-N 3.24Å; R250-K252 PolarHBondContact O-N 3.12Å; R250-L253 WeakPolarHBondContact O-CB 3.45Å; R250-L253 PolarHBondContact O-N 3.19Å; R250-L253 VanDerWaalsContact O-N 3.1Å; R250-L254 HydrophobicContact CG-CD1 3.77Å; R250-L254 HydrophobicContact CG-CG 4.42Å; R250-L254 VanDerWaalsContact O-CG 3.3Å; R250-L254 WeakPolarHBondContact O-CG 3.1Å; R250-L254 PolarHBondContact O-N 2.99Å
251D90.9Very high89.4Confident97 Ų9773 Ų7352%0.51938%0.375SS..Hα-helixtrans-65.9-41-179.7-67.1-13000111E247 L253 L254 C255E247-D251 PolarHBondContact O-N 3.44Å; D251-L253 PolarHBondContact O-N 3.41Å; D251-L254 PolarHBondContact O-N 2.81Å; D251-C255 PolarHBondContact O-N 2.8Å
252K90.2Very high89.4Confident76 Ų7674.9 Ų74.933%0.3338%0.382SS..Hα-helixtrans-59.9-31.8172.2-172.8177.3-174.9177.20113N223 I226 D248 R250 C255 G258N223-K252 PolarHBondContact ND2-NZ 3.34Å; N223-K252 PolarHBondContact OD1-NZ 3.47Å; I226-K252 HydrophobicContact CD1-CD 4.33Å; D248-K252 WeakPolarHBondContact O-CB 3.47Å; D248-K252 PolarHBondContact O-N 3.1Å; R250-K252 PolarHBondContact O-N 3.12Å; K252-C255 PolarHBondContact O-SG 3.22Å; K252-C255 VanDerWaalsContact O-SG 3.36Å; K252-G258 WeakPolarHBondContact O-CA 3.22Å
253L90Very high89.4Confident2 Ų276 Ų761%0.0138%0.383CS..Hα-helixtrans-79.6-29.5177.8-80.2168.7000113.6I226 Y231 I235 A241 I249 R250 D251 R262I226-L253 HydrophobicContact CD1-CD2 4.05Å; I226-L253 HydrophobicContact CD1-CG 4.26Å; I226-L253 HydrophobicContact CG1-CD2 3.87Å; I226-L253 HydrophobicContact CG1-CG 4.32Å; Y231-L253 HydrophobicContact CD1-CD1 3.89Å; Y231-L253 HydrophobicContact CD2-CD1 3.63Å; Y231-L253 HydrophobicContact CD2-CD2 3.94Å; Y231-L253 HydrophobicContact CD2-CG 4.38Å; Y231-L253 HydrophobicContact CE1-CD1 4.19Å; Y231-L253 HydrophobicContact CE2-CD1 3.97Å; Y231-L253 HydrophobicContact CG-CD1 3.62Å; Y231-L253 HydrophobicContact CG-CD2 4.04Å; I235-L253 HydrophobicContact CD1-CD1 4.49Å; I235-L253 HydrophobicContact CG1-CD1 4.4Å; A241-L253 HydrophobicContact CB-CD1 3.91Å; I249-L253 HydrophobicContact CG2-CD1 4.22Å; I249-L253 WeakPolarHBondContact O-CB 3.26Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.33Å; I249-L253 PolarHBondContact O-N 3.05Å; I249-L253 VanDerWaalsContact O-N 3.07Å; R250-L253 WeakPolarHBondContact O-CB 3.45Å; R250-L253 PolarHBondContact O-N 3.19Å; R250-L253 VanDerWaalsContact O-N 3.1Å; D251-L253 PolarHBondContact O-N 3.41Å; L253-R262 HydrophobicContact CD2-CG 4.39Å
254L90Very high89.6Confident90 Ų9074.8 Ų74.847%0.47138%0.376SS..Hα-helixtrans-93.5-18.7-173.7-66.2176.6000113.4I235 R250 D251I235-L254 HydrophobicContact CD1-CD2 4.25Å; I235-L254 HydrophobicContact CD1-CG 4.41Å; R250-L254 HydrophobicContact CG-CD1 3.77Å; R250-L254 HydrophobicContact CG-CG 4.42Å; R250-L254 VanDerWaalsContact O-CG 3.3Å; R250-L254 WeakPolarHBondContact O-CG 3.1Å; R250-L254 PolarHBondContact O-N 2.99Å; D251-L254 PolarHBondContact O-N 2.81Å
255C91.6Very high90.2Very high55 Ų5566.9 Ų66.937%0.37234%0.342SS..SBendtrans-71.216517673.90000112.5D251 K252 K257 G258 L259D251-C255 PolarHBondContact O-N 2.8Å; K252-C255 PolarHBondContact O-SG 3.22Å; K252-C255 VanDerWaalsContact O-SG 3.36Å; C255-K257 VanDerWaalsContact C-N 3.27Å; C255-K257 PolarHBondContact O-N 3.35Å; C255-G258 WeakPolarHBondContact O-CA 3.33Å; C255-G258 PolarHBondContact O-N 2.96Å; C255-G258 PolarHBondContact SG-N 3.44Å; C255-G258 VanDerWaalsContact SG-N 3.38Å; C255-L259 PolarHBondContact O-N 2.84Å
256S89.7Confident90.8Very high104 Ų10465.2 Ų65.273%0.72733%0.329SS*.Hα-helixtrans-53.8-43.1179.453.60000112.6G258 L259 S260S256-G258 VanDerWaalsContact C-N 3.35Å; S256-G258 PolarHBondContact O-N 2.84Å; S256-L259 PolarHBondContact O-N 3.1Å; S256-S260 PolarHBondContact O-N 3.28Å; S256-S260 VanDerWaalsContact O-N 3.15Å
257K89.4Confident91.2Very high114 Ų11465.9 Ų65.950%0.49633%0.332SS..Hα-helixtrans-61.7-41.7174.7-174.2170.2-175.3162.30111.9C255 S260 Q261C255-K257 VanDerWaalsContact C-N 3.27Å; C255-K257 PolarHBondContact O-N 3.35Å; K257-S260 PolarHBondContact O-N 2.79Å; K257-Q261 WeakPolarHBondContact O-CG 3.24Å; K257-Q261 PolarHBondContact O-N 3.07Å
258G89.7Confident91.6Very high1 Ų161.5 Ų61.51%0.0131%0.311CS..Hα-helixtrans-60.7-42.5175.700000113.5K252 C255 S256 Q261 R262K252-G258 WeakPolarHBondContact O-CA 3.22Å; C255-G258 WeakPolarHBondContact O-CA 3.33Å; C255-G258 PolarHBondContact O-N 2.96Å; C255-G258 PolarHBondContact SG-N 3.44Å; C255-G258 VanDerWaalsContact SG-N 3.38Å; S256-G258 VanDerWaalsContact C-N 3.35Å; S256-G258 PolarHBondContact O-N 2.84Å; G258-Q261 PolarHBondContact O-N 2.82Å; G258-R262 WeakPolarHBondContact O-CG 3.43Å; G258-R262 PolarHBondContact O-N 3.33Å
259L89.4Confident92Very high95 Ų9557 Ų5750%0.49729%0.29SS..Hα-helixtrans-62.4-43175.9-65.8174.6000111.8C255 S256 R262 E263C255-L259 PolarHBondContact O-N 2.84Å; S256-L259 PolarHBondContact O-N 3.1Å; L259-R262 PolarHBondContact O-N 2.8Å; L259-E263 PolarHBondContact O-N 2.87Å
260S90.1Very high92.4Very high49 Ų4961.3 Ų61.334%0.34331%0.308SS..Hα-helixtrans-61.9-44.5173.6-174.20000111.7S256 K257 R262 E263 Q264S256-S260 PolarHBondContact O-N 3.28Å; S256-S260 VanDerWaalsContact O-N 3.15Å; K257-S260 PolarHBondContact O-N 2.79Å; S260-R262 VanDerWaalsContact C-N 3.31Å; S260-R262 PolarHBondContact O-N 3.06Å; S260-E263 PolarHBondContact O-N 3.13Å; S260-Q264 PolarHBondContact O-N 3.15Å; S260-Q264 VanDerWaalsContact O-N 3.07Å
261Q91.1Very high92.7Very high17 Ų1755.2 Ų55.28%0.07929%0.285CS..Hα-helixtrans-61.7-35.4176.6-73.6-176.3-14.700112.7L197 K257 G258 E263 Q264 V265L197-Q261 HydrophobicContact CD1-CB 4.33Å; L197-Q261 HydrophobicContact CD1-CG 4.37Å; L197-Q261 HydrophobicContact CD2-CG 4.33Å; K257-Q261 WeakPolarHBondContact O-CG 3.24Å; K257-Q261 PolarHBondContact O-N 3.07Å; G258-Q261 PolarHBondContact O-N 2.82Å; Q261-E263 VanDerWaalsContact C-N 3.34Å; Q261-E263 PolarHBondContact O-N 3.15Å; Q261-Q264 WeakPolarHBondContact O-CB 3.47Å; Q261-Q264 PolarHBondContact O-N 3.28Å; Q261-V265 WeakPolarHBondContact O-CG2 3.32Å; Q261-V265 PolarHBondContact O-N 2.7Å
262R92.3Very high93Very high42 Ų4250.6 Ų50.616%0.15826%0.261CS..Hα-helixtrans-62.5-40.2175.5-74.1165.964.2168.44.4112Y231 I232 D233 L253 G258 L259 S260 V265 K266Y231-R262 VanDerWaalsContact O-CZ 3.22Å; Y231-R262 PolarHBondContact O-NE 2.94Å; Y231-R262 PolarHBondContact O-NH2 3.41Å; I232-R262 VanDerWaalsContact C-NH2 3.35Å; I232-R262 VanDerWaalsContact O-CZ 3.31Å; I232-R262 PolarHBondContact O-NE 2.81Å; I232-R262 VanDerWaalsContact O-NE 3.08Å; I232-R262 PolarHBondContact O-NH2 2.85Å; D233-R262 PolarHBondContact O-NH2 2.97Å; L253-R262 HydrophobicContact CD2-CG 4.39Å; G258-R262 WeakPolarHBondContact O-CG 3.43Å; G258-R262 PolarHBondContact O-N 3.33Å; L259-R262 PolarHBondContact O-N 2.8Å; S260-R262 VanDerWaalsContact C-N 3.31Å; S260-R262 PolarHBondContact O-N 3.06Å; R262-V265 PolarHBondContact O-N 3.44Å; R262-K266 PolarHBondContact O-N 3.35Å
263E92.5Very high93.3Very high90 Ų9049.2 Ų49.242%0.42127%0.268SS..Hα-helixtrans-68.1-40175.4-174.353.5-142.200111.4L259 S260 Q261 V265 K266 Q267L259-E263 PolarHBondContact O-N 2.87Å; S260-E263 PolarHBondContact O-N 3.13Å; Q261-E263 VanDerWaalsContact C-N 3.34Å; Q261-E263 PolarHBondContact O-N 3.15Å; E263-V265 VanDerWaalsContact C-N 3.32Å; E263-V265 PolarHBondContact O-N 3.02Å; E263-K266 WeakPolarHBondContact O-CB 3.43Å; E263-K266 PolarHBondContact O-N 2.85Å; E263-K266 VanDerWaalsContact O-N 3.15Å; E263-K266 WeakPolarHBondContact OE2-CD 3.47Å; E263-Q267 WeakPolarHBondContact O-CG 3.42Å; E263-Q267 PolarHBondContact O-N 3.42Å; E263-Q267 VanDerWaalsContact O-N 3.09Å; E263-Q267 PolarHBondContact OE1-NE2 3Å
264Q93.5Very high93.5Very high13 Ų1356.5 Ų56.56%0.06130%0.296CS..Hα-helixtrans-57.9-45.6171.9-68178.6-47.800111.5S260 Q261 K266 Q267 L268 L330 T334S260-Q264 PolarHBondContact O-N 3.15Å; S260-Q264 VanDerWaalsContact O-N 3.07Å; Q261-Q264 WeakPolarHBondContact O-CB 3.47Å; Q261-Q264 PolarHBondContact O-N 3.28Å; Q264-K266 VanDerWaalsContact C-N 3.29Å; Q264-K266 PolarHBondContact O-N 2.92Å; Q264-Q267 PolarHBondContact O-N 3.22Å; Q264-Q267 VanDerWaalsContact O-N 3.12Å; Q264-L268 WeakPolarHBondContact O-CG 3.38Å; Q264-L268 PolarHBondContact O-N 2.85Å; Q264-L330 PolarHBondContact NE2-O 3.18Å; Q264-T334 PolarHBondContact NE2-OG1 3.18Å
265V96.3Very high93.7Very high2 Ų253.8 Ų53.81%0.01228%0.281CS..Hα-helixtrans-61.6-38.1176.9175.60000111.3L197 I226 L227 I232 Q261 R262 E263 Q267 L268 C269L197-V265 HydrophobicContact CD1-CG2 4.39Å; I226-V265 HydrophobicContact CG2-CG2 4.07Å; L227-V265 HydrophobicContact CD2-CG2 4.21Å; I232-V265 HydrophobicContact CD1-CG1 4.18Å; I232-V265 HydrophobicContact CG1-CG1 4.16Å; Q261-V265 WeakPolarHBondContact O-CG2 3.32Å; Q261-V265 PolarHBondContact O-N 2.7Å; R262-V265 PolarHBondContact O-N 3.44Å; E263-V265 VanDerWaalsContact C-N 3.32Å; E263-V265 PolarHBondContact O-N 3.02Å; V265-Q267 VanDerWaalsContact C-N 3.31Å; V265-Q267 PolarHBondContact O-N 3.39Å; V265-L268 WeakPolarHBondContact O-CB 3.4Å; V265-L268 PolarHBondContact O-N 3.17Å; V265-C269 PolarHBondContact O-N 2.97Å; V265-C269 PolarHBondContact O-SG 3.4Å
266K96.5Very high93.8Very high88 Ų8856.3 Ų56.338%0.38329%0.286SS..Hα-helixtrans-60.1-40.4174.2-170.1179.7-175.11740112.1I232 R262 E263 Q264 C269 K270I232-K266 HydrophobicContact CD1-CB 4.21Å; I232-K266 HydrophobicContact CG2-CB 4.26Å; I232-K266 HydrophobicContact CG2-CD 4.27Å; I232-K266 HydrophobicContact CG2-CG 4.3Å; R262-K266 PolarHBondContact O-N 3.35Å; E263-K266 WeakPolarHBondContact O-CB 3.43Å; E263-K266 PolarHBondContact O-N 2.85Å; E263-K266 VanDerWaalsContact O-N 3.15Å; E263-K266 WeakPolarHBondContact OE2-CD 3.47Å; Q264-K266 VanDerWaalsContact C-N 3.29Å; Q264-K266 PolarHBondContact O-N 2.92Å; K266-C269 WeakPolarHBondContact O-CB 3.22Å; K266-C269 PolarHBondContact O-N 2.89Å; K266-K270 PolarHBondContact O-N 3.01Å
267Q96.4Very high94.2Very high60 Ų6052 Ų5228%0.2826%0.255SS..Hα-helixtrans-70.8-38.2174.4-56.9-58.3-32.600111.8E263 Q264 V265 C269 K270 I271 L330E263-Q267 WeakPolarHBondContact O-CG 3.42Å; E263-Q267 PolarHBondContact O-N 3.42Å; E263-Q267 VanDerWaalsContact O-N 3.09Å; E263-Q267 PolarHBondContact OE1-NE2 3Å; Q264-Q267 PolarHBondContact O-N 3.22Å; Q264-Q267 VanDerWaalsContact O-N 3.12Å; V265-Q267 VanDerWaalsContact C-N 3.31Å; V265-Q267 PolarHBondContact O-N 3.39Å; Q267-C269 VanDerWaalsContact C-N 3.3Å; Q267-C269 PolarHBondContact O-N 2.89Å; Q267-K270 WeakPolarHBondContact O-CB 3.33Å; Q267-K270 PolarHBondContact O-N 2.76Å; Q267-I271 PolarHBondContact O-N 3.31Å; Q267-I271 VanDerWaalsContact O-N 3.11Å; Q267-L330 HydrophobicContact CB-CD1 3.68Å; Q267-L330 HydrophobicContact CB-CD2 3.73Å; Q267-L330 HydrophobicContact CB-CG 4.37Å; Q267-L330 HydrophobicContact CG-CD1 4.05Å
268L97.2Very high94.5Very high0 Ų049 Ų490%025%0.247CC..Hα-helixtrans-58-41.2172.4-70.4173.6000111.8L196 L227 Q264 V265 K270 I271 A272 L327 L330L196-L268 HydrophobicContact CD1-CD1 4.05Å; L196-L268 HydrophobicContact CD1-CD2 4.21Å; L227-L268 HydrophobicContact CD2-CD1 3.63Å; Q264-L268 WeakPolarHBondContact O-CG 3.38Å; Q264-L268 PolarHBondContact O-N 2.85Å; V265-L268 WeakPolarHBondContact O-CB 3.4Å; V265-L268 PolarHBondContact O-N 3.17Å; L268-K270 VanDerWaalsContact C-N 3.28Å; L268-K270 PolarHBondContact O-N 3.42Å; L268-I271 PolarHBondContact O-N 3.21Å; L268-A272 WeakPolarHBondContact O-CB 3.28Å; L268-A272 PolarHBondContact O-N 3.19Å; L268-L327 HydrophobicContact CD2-CD2 3.38Å; L268-L330 HydrophobicContact CD2-CD2 3.68Å; L268-L330 HydrophobicContact CG-CD2 3.81Å
269C97.1Very high94.9Very high42 Ų4249.2 Ų49.228%0.28425%0.248SC..Hα-helixtrans-58.7-38.1174.5-70.40000112.3V265 K266 Q267 A272 G273 C279V265-C269 PolarHBondContact O-N 2.97Å; V265-C269 PolarHBondContact O-SG 3.4Å; K266-C269 WeakPolarHBondContact O-CB 3.22Å; K266-C269 PolarHBondContact O-N 2.89Å; Q267-C269 VanDerWaalsContact C-N 3.3Å; Q267-C269 PolarHBondContact O-N 2.89Å; C269-A272 PolarHBondContact O-N 2.86Å; C269-G273 PolarHBondContact O-N 2.83Å; C269-C279 VanDerWaalsContact SG-CB 3.51Å
270K97.1Very high95.3Very high114 Ų11444.8 Ų44.850%0.49623%0.225SC..Hα-helixtrans-67-42.3176.3-62.9176.3-170.1166.30111.7K266 Q267 L268 G273 R274K266-K270 PolarHBondContact O-N 3.01Å; Q267-K270 WeakPolarHBondContact O-CB 3.33Å; Q267-K270 PolarHBondContact O-N 2.76Å; L268-K270 VanDerWaalsContact C-N 3.28Å; L268-K270 PolarHBondContact O-N 3.42Å; K270-G273 PolarHBondContact O-N 3.05Å; K270-R274 PolarHBondContact O-N 3.49Å; K270-R274 VanDerWaalsContact O-N 3.09Å
271I96.4Very high95.7Very high8 Ų842.9 Ų42.94%0.04121%0.211CC..Hα-helixtrans-62.5-45.5175.6-62.5171.2000110Q267 L268 G273 R274 I275 L282 I323 E326 L327 L330Q267-I271 PolarHBondContact O-N 3.31Å; Q267-I271 VanDerWaalsContact O-N 3.11Å; L268-I271 PolarHBondContact O-N 3.21Å; I271-G273 VanDerWaalsContact C-N 3.33Å; I271-G273 PolarHBondContact O-N 3.14Å; I271-R274 WeakPolarHBondContact O-CB 3.4Å; I271-R274 PolarHBondContact O-N 3.13Å; I271-I275 PolarHBondContact O-N 3.17Å; I271-L282 HydrophobicContact CB-CD2 4.47Å; I271-L282 HydrophobicContact CG2-CD2 4.31Å; I271-I323 HydrophobicContact CG2-CG2 4.31Å; I271-E326 HydrophobicContact CD1-CG 3.89Å; I271-E326 HydrophobicContact CG1-CG 4.49Å; I271-L327 HydrophobicContact CD1-CD2 3.95Å; I271-L327 HydrophobicContact CG2-CD2 4.14Å; I271-L330 HydrophobicContact CD1-CD2 3.97Å
272A96.9Very high96Very high1 Ų142 Ų421%0.00821%0.207CC..Hα-helixtrans-57.8-45.5176.400000111.6L268 C269 R274 I275 K276 C277 L282L268-A272 WeakPolarHBondContact O-CB 3.28Å; L268-A272 PolarHBondContact O-N 3.19Å; C269-A272 PolarHBondContact O-N 2.86Å; A272-R274 VanDerWaalsContact C-N 3.33Å; A272-R274 PolarHBondContact O-N 3.25Å; A272-I275 CarbonylContact O-C 3.52Å; A272-I275 VanDerWaalsContact O-CG1 3.31Å; A272-I275 WeakPolarHBondContact O-CG1 3.27Å; A272-I275 PolarHBondContact O-N 3.07Å; A272-I275 VanDerWaalsContact O-N 3.13Å; A272-K276 PolarHBondContact O-N 2.81Å; A272-C277 CarbonylContact C-O 3.43Å; A272-C277 WeakPolarHBondContact CB-O 3.36Å; A272-C277 PolarHBondContact O-N 3.49Å; A272-C277 VanDerWaalsContact O-O 3.13Å; A272-L282 HydrophobicContact CB-CB 4.09Å; A272-L282 HydrophobicContact CB-CD2 3.81Å
273G96Very high96.3Very high47 Ų4740 Ų4049%0.48520%0.199SC..Hα-helixtrans-59-40176.200000113.4C269 K270 I271 I275 K276C269-G273 PolarHBondContact O-N 2.83Å; K270-G273 PolarHBondContact O-N 3.05Å; I271-G273 VanDerWaalsContact C-N 3.33Å; I271-G273 PolarHBondContact O-N 3.14Å; G273-I275 VanDerWaalsContact C-N 3.27Å; G273-I275 PolarHBondContact O-N 3.15Å; G273-K276 PolarHBondContact O-N 2.92Å
274R94.7Very high96.6Very high155 Ų15535.8 Ų35.859%0.58518%0.179SC*.Hα-helixtrans-60.7-34.7175.9-82.4170.547.3-157.4-14.1113.1K270 I271 A272 K276 E326K270-R274 PolarHBondContact O-N 3.49Å; K270-R274 VanDerWaalsContact O-N 3.09Å; I271-R274 WeakPolarHBondContact O-CB 3.4Å; I271-R274 PolarHBondContact O-N 3.13Å; A272-R274 VanDerWaalsContact C-N 3.33Å; A272-R274 PolarHBondContact O-N 3.25Å; R274-K276 VanDerWaalsContact C-N 3.34Å; R274-E326 IonicContact CZ-OE1 3.72Å; R274-E326 IonicContact CZ-OE2 3.33Å; R274-E326 IonicContact NH1-OE1 2.67Å; R274-E326 PolarHBondContact NH1-OE1 2.79Å; R274-E326 IonicContact NH1-OE2 3Å; R274-E326 PolarHBondContact NH1-OE2 2.98Å; R274-E326 IonicContact NH2-OE1 3.95Å; R274-E326 IonicContact NH2-OE2 2.82Å; R274-E326 PolarHBondContact NH2-OE2 3.49Å
275I93.8Very high96.8Very high33 Ų3335.1 Ų35.117%0.16918%0.176CC..THydrogen-bonded Turntrans-97.414.1177.268.7169.6000112.8I271 A272 G273 C277 L282 I315 L319 I323I271-I275 PolarHBondContact O-N 3.17Å; A272-I275 CarbonylContact O-C 3.52Å; A272-I275 VanDerWaalsContact O-CG1 3.31Å; A272-I275 WeakPolarHBondContact O-CG1 3.27Å; A272-I275 PolarHBondContact O-N 3.07Å; A272-I275 VanDerWaalsContact O-N 3.13Å; G273-I275 VanDerWaalsContact C-N 3.27Å; G273-I275 PolarHBondContact O-N 3.15Å; I275-C277 VanDerWaalsContact C-N 3.31Å; I275-C277 PolarHBondContact O-N 2.91Å; I275-L282 HydrophobicContact CD1-CD1 3.95Å; I275-I315 HydrophobicContact CD1-CG2 4.2Å; I275-L319 HydrophobicContact CD1-CD2 3.84Å; I275-I323 HydrophobicContact CG2-CD1 3.57Å; I275-I323 HydrophobicContact CG2-CG1 4.24Å
276K94.4Very high96.8Very high108 Ų10835.4 Ų35.447%0.4718%0.177SC..THydrogen-bonded Turntrans57.435.3176.7-60.2-178.5168.6-163.80114.3S3 F4 H6 A272 G273 R274S3-K276 VanDerWaalsContact CB-NZ 3.31Å; S3-K276 PolarHBondContact OG-NZ 3.23Å; S3-K276 VanDerWaalsContact OG-NZ 3.11Å; F4-K276 VanDerWaalsContact O-CD 3.23Å; F4-K276 WeakPolarHBondContact O-CD 3.23Å; H6-K276 PolarHBondContact CE1-O 3.38Å; A272-K276 PolarHBondContact O-N 2.81Å; G273-K276 PolarHBondContact O-N 2.92Å; R274-K276 VanDerWaalsContact C-N 3.34Å
277C96.7Very high96.8Very high12 Ų1231.2 Ų31.28%0.08116%0.159CC..  trans-123.4169.5171.778.30000111.5A272 I275 Q281 I315A272-C277 CarbonylContact C-O 3.43Å; A272-C277 WeakPolarHBondContact CB-O 3.36Å; A272-C277 PolarHBondContact O-N 3.49Å; A272-C277 VanDerWaalsContact O-O 3.13Å; I275-C277 VanDerWaalsContact C-N 3.31Å; I275-C277 PolarHBondContact O-N 2.91Å; C277-Q281 HydrophobicContact CB-CB 4Å; C277-I315 HydrophobicContact CB-CD1 3.72Å; C277-I315 HydrophobicContact CB-CG1 3.89Å; C277-I315 HydrophobicContact CB-CG2 4.21Å
278T97.3Very high96.8Very high52 Ų5228.4 Ų28.432%0.31915%0.146SC..  trans-80.1163.4171.471.20000111A280 Q281 L282 E308T278-A280 VanDerWaalsContact C-N 3.27Å; T278-A280 PolarHBondContact O-N 3.21Å; T278-Q281 VanDerWaalsContact N-OE1 3.16Å; T278-Q281 PolarHBondContact O-N 3.27Å; T278-Q281 WeakPolarHBondContact OG1-CB 3.49Å; T278-Q281 VanDerWaalsContact OG1-CG 3.29Å; T278-Q281 WeakPolarHBondContact OG1-CG 3.49Å; T278-Q281 PolarHBondContact OG1-N 3.41Å; T278-Q281 VanDerWaalsContact OG1-N 3.08Å; T278-L282 PolarHBondContact O-N 3.37Å; T278-E308 WeakPolarHBondContact CB-OE1 3.38Å; T278-E308 HydrophobicContact CG2-CG 4.23Å; T278-E308 WeakPolarHBondContact CG2-OE1 3.41Å; T278-E308 PolarHBondContact OG1-OE1 3.45Å
279C97.7Very high96.6Very high6 Ų633.1 Ų33.14%0.04116%0.164CC..Hα-helixtrans-64.2-34.7175.6-167.30000111.8L227 C269 L282 A283L227-C279 CarbonylContact O-C 3.58Å; L227-C279 VanDerWaalsContact O-C 3.31Å; L227-C279 WeakPolarHBondContact O-CB 3.29Å; L227-C279 PolarHBondContact O-SG 3.05Å; C269-C279 VanDerWaalsContact SG-CB 3.51Å; C279-L282 PolarHBondContact O-N 2.84Å; C279-A283 WeakPolarHBondContact O-CB 3.27Å; C279-A283 PolarHBondContact O-N 2.99Å
280A98Very high96.2Very high1 Ų132 Ų321%0.00816%0.156CC..Hα-helixtrans-63.5-45.317400000111.3L222 L227 T228 T278 L282 A283 I284 E308L222-A280 HydrophobicContact CD1-CB 4.22Å; L222-A280 HydrophobicContact CD2-CB 3.88Å; L227-A280 PolarHBondContact O-N 3.05Å; T228-A280 HydrophobicContact CG2-CB 4.1Å; T278-A280 VanDerWaalsContact C-N 3.27Å; T278-A280 PolarHBondContact O-N 3.21Å; A280-L282 PolarHBondContact O-N 3.32Å; A280-A283 PolarHBondContact O-N 3.49Å; A280-I284 WeakPolarHBondContact O-CG1 3.41Å; A280-I284 PolarHBondContact O-N 3.1Å; A280-E308 WeakPolarHBondContact CB-OE1 3.29Å
281Q98.1Very high95.7Very high9 Ų930.4 Ų30.44%0.04216%0.159CC..Hα-helixtrans-60.5-44.7175.9-76.3171.9-8.800112.2H6 C277 T278 A283 A285 E308 S312 I315H6-Q281 PolarHBondContact NE2-OE1 2.98Å; C277-Q281 HydrophobicContact CB-CB 4Å; T278-Q281 VanDerWaalsContact N-OE1 3.16Å; T278-Q281 PolarHBondContact O-N 3.27Å; T278-Q281 WeakPolarHBondContact OG1-CB 3.49Å; T278-Q281 VanDerWaalsContact OG1-CG 3.29Å; T278-Q281 WeakPolarHBondContact OG1-CG 3.49Å; T278-Q281 PolarHBondContact OG1-N 3.41Å; T278-Q281 VanDerWaalsContact OG1-N 3.08Å; Q281-A283 PolarHBondContact O-N 3.43Å; Q281-A285 WeakPolarHBondContact O-CB 3.32Å; Q281-A285 PolarHBondContact O-N 3.37Å; Q281-E308 HydrophobicContact CG-CG 4.08Å; Q281-E308 VanDerWaalsContact CG-O 3.25Å; Q281-E308 WeakPolarHBondContact CG-O 3.4Å; Q281-E308 PolarHBondContact NE2-O 3.39Å; Q281-S312 WeakPolarHBondContact CA-OG 3.3Å; Q281-I315 HydrophobicContact CB-CG1 4.19Å
282L98.1Very high95.4Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-59.2-46.5176.4176.660000111.6I271 A272 I275 T278 C279 A280 A285 W286 L319 L327I271-L282 HydrophobicContact CB-CD2 4.47Å; I271-L282 HydrophobicContact CG2-CD2 4.31Å; A272-L282 HydrophobicContact CB-CB 4.09Å; A272-L282 HydrophobicContact CB-CD2 3.81Å; I275-L282 HydrophobicContact CD1-CD1 3.95Å; T278-L282 PolarHBondContact O-N 3.37Å; C279-L282 PolarHBondContact O-N 2.84Å; A280-L282 PolarHBondContact O-N 3.32Å; L282-A285 PolarHBondContact O-N 3.16Å; L282-W286 WeakPolarHBondContact O-CB 3.33Å; L282-W286 PolarHBondContact O-N 2.99Å; L282-L319 HydrophobicContact CD1-CD2 3.65Å; L282-L327 HydrophobicContact CD1-CD1 4.17Å; L282-L327 HydrophobicContact CD2-CD2 4.05Å
283A97.9Very high95.3Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-63.8-45.4-178.500000112.7L196 L222 L227 C279 A280 Q281 W286 C287L196-A283 HydrophobicContact CD1-CB 3.9Å; L222-A283 HydrophobicContact CD2-CB 3.9Å; L227-A283 HydrophobicContact CB-CB 3.96Å; L227-A283 HydrophobicContact CD1-CB 4.2Å; C279-A283 WeakPolarHBondContact O-CB 3.27Å; C279-A283 PolarHBondContact O-N 2.99Å; A280-A283 PolarHBondContact O-N 3.49Å; Q281-A283 PolarHBondContact O-N 3.43Å; A283-W286 PolarHBondContact O-N 2.94Å; A283-C287 PolarHBondContact O-N 2.87Å; A283-C287 PolarHBondContact O-SG 3Å; A283-C287 VanDerWaalsContact O-SG 3.33Å
284I98.3Very high95.3Very high0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-67.2-44.9176.6-65.3163.8000110.3L28 P221 L222 A280 W286 C287 L288 I298 N309 S312L28-I284 HydrophobicContact CD2-CG2 3.72Å; P221-I284 HydrophobicContact CB-CG1 4.04Å; P221-I284 HydrophobicContact CG-CG1 4.08Å; L222-I284 HydrophobicContact CD1-CD1 4.31Å; L222-I284 HydrophobicContact CD2-CD1 4.15Å; L222-I284 HydrophobicContact CD2-CG1 3.94Å; L222-I284 HydrophobicContact CG-CD1 4.32Å; L222-I284 HydrophobicContact CG-CG1 4.31Å; A280-I284 WeakPolarHBondContact O-CG1 3.41Å; A280-I284 PolarHBondContact O-N 3.1Å; I284-W286 VanDerWaalsContact C-N 3.27Å; I284-W286 PolarHBondContact O-N 3.31Å; I284-C287 WeakPolarHBondContact O-CB 3.38Å; I284-C287 PolarHBondContact O-N 3.48Å; I284-C287 VanDerWaalsContact O-N 3.08Å; I284-L288 HydrophobicContact CG2-CD1 4.17Å; I284-L288 HydrophobicContact CG2-CG 4.44Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 3.43Å; I284-I298 HydrophobicContact CD1-CG2 3.85Å; I284-I298 HydrophobicContact CG1-CG2 4.15Å; I284-I298 HydrophobicContact CG2-CG2 4.19Å; I284-N309 HydrophobicContact CD1-CB 3.64Å; I284-N309 VanDerWaalsContact CD1-CG 3.47Å; I284-N309 VanDerWaalsContact CD1-OD1 3.31Å; I284-N309 WeakPolarHBondContact CD1-OD1 3.32Å; I284-S312 WeakPolarHBondContact CB-OG 3.38Å
285A97.5Very high95.5Very high0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-59.8-37.8177.300000112.3Q281 L282 C287 L288 R289 I315 Y316 L319Q281-A285 WeakPolarHBondContact O-CB 3.32Å; Q281-A285 PolarHBondContact O-N 3.37Å; L282-A285 PolarHBondContact O-N 3.16Å; A285-C287 VanDerWaalsContact C-N 3.3Å; A285-C287 PolarHBondContact O-N 3.48Å; A285-L288 PolarHBondContact O-N 3.17Å; A285-R289 PolarHBondContact O-N 3.28Å; A285-I315 HydrophobicContact CB-CB 3.79Å; A285-I315 HydrophobicContact CB-CG2 3.79Å; A285-Y316 WeakPolarHBondContact O-CB 3.3Å; A285-L319 HydrophobicContact CB-CD1 3.99Å
286W97.1Very high95.7Very high7 Ų722.5 Ų22.53%0.02712%0.116CC..Hα-helixtrans-63.1-36.6175.6178.993.7000112.1L194 L196 K199 L282 A283 I284 R289 L319L194-W286 HydrophobicContact CD1-CH2 4.29Å; L194-W286 HydrophobicContact CD1-CZ3 4.13Å; L194-W286 HydrophobicContact CD2-CZ3 4.36Å; L194-W286 HydrophobicContact CG-CZ3 4.07Å; L196-W286 HydrophobicContact CD2-CB 3.97Å; L196-W286 HydrophobicContact CD2-CD2 3.42Å; L196-W286 VanDerWaalsContact CD2-CD2 3.42Å; L196-W286 HydrophobicContact CD2-CE3 3.99Å; L196-W286 HydrophobicContact CD2-CG 3.39Å; L196-W286 HydrophobicContact CD2-CZ2 4.43Å; L196-W286 HydrophobicContact CG-CB 4.3Å; L196-W286 HydrophobicContact CG-CD2 4.06Å; L196-W286 HydrophobicContact CG-CE3 4.17Å; L196-W286 HydrophobicContact CG-CG 4.12Å; K199-W286 HydrophobicContact CD-CH2 4.04Å; K199-W286 HydrophobicContact CD-CZ2 3.95Å; K199-W286 HydrophobicContact CG-CH2 3.83Å; K199-W286 HydrophobicContact CG-CZ2 4.27Å; L282-W286 WeakPolarHBondContact O-CB 3.33Å; L282-W286 PolarHBondContact O-N 2.99Å; A283-W286 PolarHBondContact O-N 2.94Å; I284-W286 VanDerWaalsContact C-N 3.27Å; I284-W286 PolarHBondContact O-N 3.31Å; W286-R289 VanDerWaalsContact O-CD 3.28Å; W286-R289 WeakPolarHBondContact O-CD 3.3Å; W286-R289 WeakPolarHBondContact O-CG 3.16Å; W286-R289 PolarHBondContact O-NE 2.72Å; W286-L319 HydrophobicContact CB-CD1 4.34Å
287C96.2Very high95.9Very high1 Ų117.8 Ų17.81%0.00710%0.096CC..Hα-helixtrans-66.7-48.1172.9-58.80000110.2A283 I284 A285 R289 C290 I293 V296A283-C287 PolarHBondContact O-N 2.87Å; A283-C287 PolarHBondContact O-SG 3Å; A283-C287 VanDerWaalsContact O-SG 3.33Å; I284-C287 WeakPolarHBondContact O-CB 3.38Å; I284-C287 PolarHBondContact O-N 3.48Å; I284-C287 VanDerWaalsContact O-N 3.08Å; A285-C287 VanDerWaalsContact C-N 3.3Å; A285-C287 PolarHBondContact O-N 3.48Å; C287-R289 PolarHBondContact O-N 3.36Å; C287-R289 VanDerWaalsContact O-N 3.13Å; C287-C290 PolarHBondContact O-N 2.89Å; C287-I293 WeakPolarHBondContact O-CD1 3.32Å; C287-V296 HydrophobicContact CB-CG1 4.28Å; C287-V296 HydrophobicContact CB-CG2 3.74Å
288L96Very high96Very high1 Ų117.3 Ų17.31%0.0059%0.093CC..Hα-helixtrans-59.2-26-179.2-72176000114.9R16 V27 L28 I284 A285 C290 V296 V313 Y316R16-L288 PolarHBondContact NH2-O 3.06Å; V27-L288 HydrophobicContact CB-CD2 3.77Å; V27-L288 HydrophobicContact CG2-CD2 4.03Å; V27-L288 WeakPolarHBondContact O-CD2 3.36Å; L28-L288 HydrophobicContact CD2-CD1 4.06Å; L28-L288 HydrophobicContact CD2-CD2 4.09Å; L28-L288 HydrophobicContact CD2-CG 4.36Å; I284-L288 HydrophobicContact CG2-CD1 4.17Å; I284-L288 HydrophobicContact CG2-CG 4.44Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 3.43Å; A285-L288 PolarHBondContact O-N 3.17Å; L288-C290 PolarHBondContact O-N 3.09Å; L288-V296 HydrophobicContact CD2-CB 4.34Å; L288-V296 HydrophobicContact CD2-CG2 3.77Å; L288-V296 HydrophobicContact CG-CG2 4.15Å; L288-V313 HydrophobicContact CD1-CG2 4.23Å; L288-Y316 HydrophobicContact CB-CD1 4.24Å; L288-Y316 HydrophobicContact CB-CG 4.04Å; L288-Y316 HydrophobicContact CD1-CD1 4.34Å
289R93.3Very high96Very high99 Ų9916.3 Ų16.337%0.3749%0.093SC..THydrogen-bonded Turntrans-60.4-28-179.491.6-169169.593.3-8.1112.7A285 W286 C287 S291 I324A285-R289 PolarHBondContact O-N 3.28Å; W286-R289 VanDerWaalsContact O-CD 3.28Å; W286-R289 WeakPolarHBondContact O-CD 3.3Å; W286-R289 WeakPolarHBondContact O-CG 3.16Å; W286-R289 PolarHBondContact O-NE 2.72Å; C287-R289 PolarHBondContact O-N 3.36Å; C287-R289 VanDerWaalsContact O-N 3.13Å; R289-S291 PolarHBondContact O-N 3.34Å; R289-S291 VanDerWaalsContact O-N 3.14Å; R289-I324 VanDerWaalsContact CD-CD1 3.42Å
290C88.6Confident96Very high17 Ų1716.1 Ų16.112%0.1159%0.092CC..SBendtrans-73.4106.7176.3-170.50000107.9R16 C287 L288 H292 I293R16-C290 PolarHBondContact NH1-O 2.69Å; R16-C290 VanDerWaalsContact NH1-O 3.16Å; C287-C290 PolarHBondContact O-N 2.89Å; L288-C290 PolarHBondContact O-N 3.09Å; C290-H292 PolarHBondContact O-N 3.23Å; C290-H292 VanDerWaalsContact O-N 3.09Å; C290-I293 HydrophobicContact CB-CB 4.42Å; C290-I293 HydrophobicContact CB-CD1 3.71Å; C290-I293 HydrophobicContact CB-CG1 3.81Å; C290-I293 WeakPolarHBondContact O-CB 3.39Å; C290-I293 PolarHBondContact O-N 2.67Å
291S87.5Confident95.9Very high81 Ų8117 Ų1757%0.56610%0.099SC*.THydrogen-bonded Turntrans-59.9-22.4-176.953.10000113.4R16 R289R16-S291 PolarHBondContact NH1-O 3.17Å; R289-S291 PolarHBondContact O-N 3.34Å; R289-S291 VanDerWaalsContact O-N 3.14Å
292H88.6Confident95.8Very high73 Ų7319.3 Ų19.334%0.33811%0.113SC..THydrogen-bonded Turntrans-80.7-15.5177.9-51.6-66.3000114L210 C290 S294L210-H292 HydrophobicContact CD2-CB 3.75Å; L210-H292 VanDerWaalsContact CD2-CE1 3.46Å; L210-H292 WeakPolarHBondContact CD2-CE1 3.34Å; L210-H292 WeakPolarHBondContact CD2-ND1 3.3Å; C290-H292 PolarHBondContact O-N 3.23Å; C290-H292 VanDerWaalsContact O-N 3.09Å; H292-S294 PolarHBondContact O-N 3.04Å
293I95Very high95.8Very high1 Ų121 Ų211%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-75.1115.1171.1-64.4179.6000107.4R16 L194 I216 T218 C287 C290 S295 V296R16-I293 PolarHBondContact NH1-O 3.39Å; L194-I293 HydrophobicContact CD2-CD1 3.41Å; L194-I293 VanDerWaalsContact CD2-CD1 3.41Å; I216-I293 HydrophobicContact CB-CG1 4.41Å; I216-I293 HydrophobicContact CG2-CG1 3.84Å; T218-I293 HydrophobicContact CG2-CD1 3.87Å; T218-I293 HydrophobicContact CG2-CG1 4.33Å; T218-I293 HydrophobicContact CG2-CG2 4.26Å; C287-I293 WeakPolarHBondContact O-CD1 3.32Å; C290-I293 HydrophobicContact CB-CB 4.42Å; C290-I293 HydrophobicContact CB-CD1 3.71Å; C290-I293 HydrophobicContact CB-CG1 3.81Å; C290-I293 WeakPolarHBondContact O-CB 3.39Å; C290-I293 PolarHBondContact O-N 2.67Å; I293-S295 WeakPolarHBondContact CG2-O 3.44Å; I293-V296 HydrophobicContact CG2-CG2 3.92Å
294S96.9Very high95.8Very high5 Ų527 Ų274%0.03516%0.156CC..EExtended strand (participates in β ladder)trans-70.5-44.2178.2-66.10000110.8N17 G19 I216 H292N17-S294 WeakPolarHBondContact O-CB 3.42Å; N17-S294 PolarHBondContact O-OG 3.05Å; G19-S294 PolarHBondContact N-OG 3.13Å; I216-S294 WeakPolarHBondContact O-CB 3.48Å; I216-S294 PolarHBondContact O-N 3.32Å; H292-S294 PolarHBondContact O-N 3.04Å
295S98.3Very high95.7Very high0 Ų029.8 Ų29.80%017%0.169CC..EExtended strand (participates in β ladder)trans-152.1150.1176.5-172.90000113.6S26 V27 S29 I216 M217 T218 I293S26-S295 VanDerWaalsContact O-CB 3.28Å; S26-S295 WeakPolarHBondContact O-CB 3.17Å; S26-S295 PolarHBondContact O-OG 2.67Å; V27-S295 CarbonylContact O-C 3.56Å; V27-S295 WeakPolarHBondContact O-CA 3.42Å; V27-S295 PolarHBondContact O-OG 3.06Å; S29-S295 PolarHBondContact N-OG 3.4Å; S29-S295 WeakPolarHBondContact OG-CB 3.35Å; S29-S295 PolarHBondContact OG-OG 3.16Å; I216-S295 PolarHBondContact O-N 3.4Å; M217-S295 CarbonylContact C-O 3.5Å; M217-S295 VanDerWaalsContact CA-O 3.3Å; M217-S295 WeakPolarHBondContact CA-O 3.36Å; T218-S295 PolarHBondContact N-O 2.99Å; I293-S295 WeakPolarHBondContact CG2-O 3.44Å
296V98.4Very high95.7Very high0 Ų029.8 Ų29.80%017%0.169CC..EExtended strand (participates in β ladder)trans-109.2117.5170.8-178.50000109.1V27 L28 S29 T218 P221 C287 L288 I293 I298V27-V296 PolarHBondContact O-N 2.84Å; L28-V296 WeakPolarHBondContact CA-O 3.31Å; L28-V296 HydrophobicContact CD2-CB 4.15Å; S29-V296 PolarHBondContact N-O 3.32Å; T218-V296 CarbonylContact O-C 3.58Å; P221-V296 HydrophobicContact CB-CG1 3.71Å; P221-V296 HydrophobicContact CG-CG1 3.73Å; C287-V296 HydrophobicContact CB-CG1 4.28Å; C287-V296 HydrophobicContact CB-CG2 3.74Å; L288-V296 HydrophobicContact CD2-CB 4.34Å; L288-V296 HydrophobicContact CD2-CG2 3.77Å; L288-V296 HydrophobicContact CG-CG2 4.15Å; I293-V296 HydrophobicContact CG2-CG2 3.92Å; V296-I298 HydrophobicContact CG1-CG2 4.44Å; V296-I298 PolarHBondContact O-N 3.03Å
297V98.7Very high95.7Very high9 Ų932.8 Ų32.86%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-76.1111.7175.6-171.10000109.4S29 E61 M217 T218 P221S29-V297 WeakPolarHBondContact O-CA 3.41Å; E61-V297 HydrophobicContact CB-CG1 4.09Å; E61-V297 HydrophobicContact CG-CG1 4.36Å; E61-V297 HydrophobicContact CG-CG2 4.47Å; M217-V297 HydrophobicContact CE-CG2 4.02Å; T218-V297 PolarHBondContact O-N 2.7Å; P221-V297 WeakPolarHBondContact CD-O 3.34Å
298I98.6Very high95.8Very high2 Ų235.7 Ų35.71%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-100.4148.5175.656.5164.6000110.2L28 S29 G31 I57 P221 I284 V296 L306 N309L28-I298 HydrophobicContact CD1-CD1 4.36Å; L28-I298 HydrophobicContact CD2-CG2 4.05Å; S29-I298 WeakPolarHBondContact O-CG1 3.37Å; S29-I298 PolarHBondContact O-N 2.9Å; G31-I298 PolarHBondContact N-O 3.12Å; I57-I298 HydrophobicContact CD1-CD1 4.33Å; P221-I298 HydrophobicContact CG-CG2 4.03Å; I284-I298 HydrophobicContact CD1-CG2 3.85Å; I284-I298 HydrophobicContact CG1-CG2 4.15Å; I284-I298 HydrophobicContact CG2-CG2 4.19Å; V296-I298 HydrophobicContact CG1-CG2 4.44Å; V296-I298 PolarHBondContact O-N 3.03Å; I298-L306 HydrophobicContact CD1-CD1 3.76Å; I298-N309 HydrophobicContact CD1-CB 3.75Å
299G97.2Very high95.9Very high31 Ų3135.9 Ų35.932%0.3220%0.197SC..  trans-115152.9168.900000110.4N309G299-N309 PolarHBondContact O-ND2 3.16Å
300A97.2Very high96.1Very high2 Ų231.1 Ų31.12%0.01718%0.179CC..  trans-148.2139.5175.400000109.8I48 Q305 L306I48-A300 WeakPolarHBondContact CD1-O 3.49Å; A300-Q305 HydrophobicContact CB-CB 4.03Å; A300-L306 HydrophobicContact CB-CB 3.81Å
301A95.9Very high96.5Very high19 Ų1932.7 Ų32.716%0.15718%0.183CC..SBendtrans-98.6-10.6172.300000112.1T35 I40T35-A301 HydrophobicContact CG2-CB 4.43Å; I40-A301 HydrophobicContact CG2-CB 3.98Å; I40-A301 WeakPolarHBondContact CG2-O 3.39Å
302T96.7Very high97Very high57 Ų5728.8 Ų28.835%0.3516%0.156SC..SBendtrans-139159.6176.670.90000110.8D304 Q305 L306T302-D304 VanDerWaalsContact C-N 3.27Å; T302-D304 PolarHBondContact O-N 3.46Å; T302-Q305 PolarHBondContact O-N 2.83Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.41Å; T302-Q305 PolarHBondContact OG1-N 3.12Å; T302-L306 PolarHBondContact O-N 3Å; T302-L306 VanDerWaalsContact O-N 3.15Å
303V97.9Very high97.4Very high36 Ų3625.6 Ų25.622%0.21814%0.141CC..Hα-helixtrans-61.6-37.1174.3171.20000111.4K47 I48 V51 L306 H307K47-V303 HydrophobicContact CB-CG2 3.78Å; I48-V303 HydrophobicContact CG1-CG2 4.21Å; V51-V303 HydrophobicContact CG2-CG1 3.94Å; V303-L306 WeakPolarHBondContact O-CB 3.47Å; V303-L306 PolarHBondContact O-N 3.12Å; V303-H307 VanDerWaalsContact CG1-CD2 3.49Å; V303-H307 WeakPolarHBondContact CG1-CD2 3.49Å; V303-H307 PolarHBondContact O-CD2 2.93Å; V303-H307 PolarHBondContact O-N 2.72Å
304D97.2Very high97.4Very high125 Ų12526.5 Ų26.567%0.66815%0.146SC*.Hα-helixtrans-64.3-43.9178.2-60.6-44.7000112.2T302 L306 H307 E308T302-D304 VanDerWaalsContact C-N 3.27Å; T302-D304 PolarHBondContact O-N 3.46Å; D304-L306 VanDerWaalsContact C-N 3.27Å; D304-L306 PolarHBondContact O-N 3.26Å; D304-H307 PolarHBondContact O-N 3.21Å; D304-E308 WeakPolarHBondContact O-CB 3.28Å; D304-E308 PolarHBondContact O-N 3.46Å
305Q97.3Very high97.4Very high59 Ų5926.3 Ų26.328%0.27615%0.145SC..Hα-helixtrans-60.1-40.7174.2-73.7172.97.300111.1A300 T302 N309A300-Q305 HydrophobicContact CB-CB 4.03Å; T302-Q305 PolarHBondContact O-N 2.83Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.41Å; T302-Q305 PolarHBondContact OG1-N 3.12Å; Q305-N309 VanDerWaalsContact O-CB 3.28Å; Q305-N309 WeakPolarHBondContact O-CB 3.39Å; Q305-N309 PolarHBondContact O-N 3.12Å; Q305-N309 PolarHBondContact O-ND2 3.3Å; Q305-N309 PolarHBondContact O-OD1 3.26Å
306L98.1Very high97.2Very high0 Ų028.8 Ų28.80%015%0.154CC..Hα-helixtrans-64.5-47.9177179.661.9000111.3L30 I48 V51 A52 I298 A300 T302 V303 D304 E308 N309 I310L30-L306 HydrophobicContact CD1-CD1 4.27Å; I48-L306 HydrophobicContact CB-CD2 4.32Å; I48-L306 HydrophobicContact CG2-CD2 3.76Å; I48-L306 WeakPolarHBondContact O-CD2 3.48Å; V51-L306 HydrophobicContact CB-CD2 3.81Å; V51-L306 HydrophobicContact CG1-CD2 3.63Å; V51-L306 HydrophobicContact CG1-CG 4.17Å; A52-L306 HydrophobicContact CB-CD2 4.02Å; I298-L306 HydrophobicContact CD1-CD1 3.76Å; A300-L306 HydrophobicContact CB-CB 3.81Å; T302-L306 PolarHBondContact O-N 3Å; T302-L306 VanDerWaalsContact O-N 3.15Å; V303-L306 WeakPolarHBondContact O-CB 3.47Å; V303-L306 PolarHBondContact O-N 3.12Å; D304-L306 VanDerWaalsContact C-N 3.27Å; D304-L306 PolarHBondContact O-N 3.26Å; L306-E308 VanDerWaalsContact C-N 3.34Å; L306-E308 PolarHBondContact O-N 3.33Å; L306-N309 PolarHBondContact O-N 3.09Å; L306-I310 HydrophobicContact CD1-CD1 3.86Å; L306-I310 HydrophobicContact CD1-CG1 4.02Å; L306-I310 HydrophobicContact CD2-CD1 4.36Å; L306-I310 HydrophobicContact CG-CD1 3.73Å; L306-I310 HydrophobicContact CG-CG1 4.31Å; L306-I310 VanDerWaalsContact O-CG1 3.24Å; L306-I310 WeakPolarHBondContact O-CG1 3.47Å; L306-I310 PolarHBondContact O-N 2.95Å
307H97.2Very high96.9Very high71 Ų7132.6 Ų32.633%0.32918%0.179SC..Hα-helixtrans-59.4-44.3176.9-82-54.2000112.2V51 V303 D304 N309 I310 R311V51-H307 WeakPolarHBondContact CG1-CE1 3.32Å; V303-H307 VanDerWaalsContact CG1-CD2 3.49Å; V303-H307 WeakPolarHBondContact CG1-CD2 3.49Å; V303-H307 PolarHBondContact O-CD2 2.93Å; V303-H307 PolarHBondContact O-N 2.72Å; D304-H307 PolarHBondContact O-N 3.21Å; H307-N309 VanDerWaalsContact C-N 3.35Å; H307-N309 PolarHBondContact O-N 2.78Å; H307-I310 PolarHBondContact O-N 2.98Å; H307-R311 WeakPolarHBondContact O-CG 3.49Å; H307-R311 PolarHBondContact O-N 3.27Å
308E97.1Very high96.6Very high62 Ų6236 Ų3629%0.2919%0.194SC..Hα-helixtrans-56.5-50.2174.7-176.5-171.7162.600110.8T278 A280 Q281 D304 L306 R311T278-E308 WeakPolarHBondContact CB-OE1 3.38Å; T278-E308 HydrophobicContact CG2-CG 4.23Å; T278-E308 WeakPolarHBondContact CG2-OE1 3.41Å; T278-E308 PolarHBondContact OG1-OE1 3.45Å; A280-E308 WeakPolarHBondContact CB-OE1 3.29Å; Q281-E308 HydrophobicContact CG-CG 4.08Å; Q281-E308 VanDerWaalsContact CG-O 3.25Å; Q281-E308 WeakPolarHBondContact CG-O 3.4Å; Q281-E308 PolarHBondContact NE2-O 3.39Å; D304-E308 WeakPolarHBondContact O-CB 3.28Å; D304-E308 PolarHBondContact O-N 3.46Å; L306-E308 VanDerWaalsContact C-N 3.34Å; L306-E308 PolarHBondContact O-N 3.33Å; E308-R311 PolarHBondContact O-N 3.43Å
309N98.1Very high96.5Very high4 Ų436.8 Ų36.82%0.02120%0.198CC..Hα-helixtrans-64.7-40.5-178-71.7-14.5000112.5I284 I298 G299 Q305 L306 H307 R311 S312I284-N309 HydrophobicContact CD1-CB 3.64Å; I284-N309 VanDerWaalsContact CD1-CG 3.47Å; I284-N309 VanDerWaalsContact CD1-OD1 3.31Å; I284-N309 WeakPolarHBondContact CD1-OD1 3.32Å; I298-N309 HydrophobicContact CD1-CB 3.75Å; G299-N309 PolarHBondContact O-ND2 3.16Å; Q305-N309 VanDerWaalsContact O-CB 3.28Å; Q305-N309 WeakPolarHBondContact O-CB 3.39Å; Q305-N309 PolarHBondContact O-N 3.12Å; Q305-N309 PolarHBondContact O-ND2 3.3Å; Q305-N309 PolarHBondContact O-OD1 3.26Å; L306-N309 PolarHBondContact O-N 3.09Å; H307-N309 VanDerWaalsContact C-N 3.35Å; H307-N309 PolarHBondContact O-N 2.78Å; N309-R311 VanDerWaalsContact C-N 3.26Å; N309-R311 PolarHBondContact O-N 3.18Å; N309-S312 WeakPolarHBondContact O-CB 3.3Å; N309-S312 PolarHBondContact O-N 3.01Å; N309-S312 VanDerWaalsContact O-N 3.12Å; N309-S312 PolarHBondContact O-OG 3.13Å
310I98.1Very high96.4Very high0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-61.6-36.2178.6-69168.6000111.1I11 M13 V51 N55 I57 L306 H307 S312 V313I11-I310 HydrophobicContact CD1-CB 4.42Å; I11-I310 HydrophobicContact CD1-CG2 3.63Å; I11-I310 HydrophobicContact CG2-CG2 4.09Å; M13-I310 HydrophobicContact CE-CG2 4.14Å; V51-I310 HydrophobicContact CG1-CD1 4.42Å; N55-I310 HydrophobicContact CB-CD1 3.9Å; N55-I310 HydrophobicContact CB-CG2 4.23Å; I57-I310 HydrophobicContact CD1-CD1 4.14Å; I57-I310 HydrophobicContact CD1-CG1 3.96Å; L306-I310 HydrophobicContact CD1-CD1 3.86Å; L306-I310 HydrophobicContact CD1-CG1 4.02Å; L306-I310 HydrophobicContact CD2-CD1 4.36Å; L306-I310 HydrophobicContact CG-CD1 3.73Å; L306-I310 HydrophobicContact CG-CG1 4.31Å; L306-I310 VanDerWaalsContact O-CG1 3.24Å; L306-I310 WeakPolarHBondContact O-CG1 3.47Å; L306-I310 PolarHBondContact O-N 2.95Å; H307-I310 PolarHBondContact O-N 2.98Å; I310-S312 PolarHBondContact O-N 3.17Å; I310-S312 VanDerWaalsContact O-N 3.09Å; I310-V313 WeakPolarHBondContact O-CG2 3.42Å; I310-V313 PolarHBondContact O-N 3.5Å
311R96.9Very high96.3Very high49 Ų4943.1 Ų43.119%0.18523%0.233CC..THydrogen-bonded Turntrans-64.5-12.6178.4-72-171.4112.776.617.7114.1H6 Q7 Q9 I11 H307 E308 N309 V313 L314H6-R311 VanDerWaalsContact O-CZ 3.25Å; H6-R311 PolarHBondContact O-NE 3.34Å; H6-R311 PolarHBondContact O-NH2 2.74Å; Q7-R311 VanDerWaalsContact C-NH2 3.28Å; Q7-R311 PolarHBondContact O-NH1 3.13Å; Q7-R311 PolarHBondContact O-NH2 3.32Å; Q9-R311 PolarHBondContact O-NH2 3.16Å; I11-R311 HydrophobicContact CD1-CB 4.43Å; I11-R311 HydrophobicContact CD1-CG 3.55Å; I11-R311 HydrophobicContact CG1-CG 4.41Å; H307-R311 WeakPolarHBondContact O-CG 3.49Å; H307-R311 PolarHBondContact O-N 3.27Å; E308-R311 PolarHBondContact O-N 3.43Å; N309-R311 VanDerWaalsContact C-N 3.26Å; N309-R311 PolarHBondContact O-N 3.18Å; R311-V313 PolarHBondContact O-N 3.44Å; R311-V313 VanDerWaalsContact O-N 3.12Å; R311-L314 WeakPolarHBondContact O-CB 3.4Å; R311-L314 PolarHBondContact O-N 3.04Å
312S97.3Very high96.3Very high0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-57.1-25.2172-46.40000113.1Q281 I284 N309 I310 L314 I315 Y316Q281-S312 WeakPolarHBondContact CA-OG 3.3Å; I284-S312 WeakPolarHBondContact CB-OG 3.38Å; N309-S312 WeakPolarHBondContact O-CB 3.3Å; N309-S312 PolarHBondContact O-N 3.01Å; N309-S312 VanDerWaalsContact O-N 3.12Å; N309-S312 PolarHBondContact O-OG 3.13Å; I310-S312 PolarHBondContact O-N 3.17Å; I310-S312 VanDerWaalsContact O-N 3.09Å; S312-L314 PolarHBondContact O-N 3.05Å; S312-I315 PolarHBondContact O-N 2.73Å; S312-Y316 PolarHBondContact O-N 2.94Å; S312-Y316 VanDerWaalsContact O-N 3.16Å
313V97Very high96.3Very high5 Ų544 Ų443%0.0324%0.239CC..Hα-helixtrans-61-30.9173.1177.40000111.8M13 I14 V27 L28 L288 I310 R311 I315 Y316M13-V313 HydrophobicContact CE-CG2 4.33Å; M13-V313 HydrophobicContact SD-CG2 4.16Å; I14-V313 HydrophobicContact CD1-CG1 3.93Å; I14-V313 HydrophobicContact CG1-CG1 4.06Å; V27-V313 HydrophobicContact CG2-CG2 3.98Å; L28-V313 HydrophobicContact CD1-CG2 3.68Å; L28-V313 HydrophobicContact CG-CG2 4.06Å; L288-V313 HydrophobicContact CD1-CG2 4.23Å; I310-V313 WeakPolarHBondContact O-CG2 3.42Å; I310-V313 PolarHBondContact O-N 3.5Å; R311-V313 PolarHBondContact O-N 3.44Å; R311-V313 VanDerWaalsContact O-N 3.12Å; V313-I315 VanDerWaalsContact C-N 3.35Å; V313-Y316 HydrophobicContact CG1-CE1 4.45Å; V313-Y316 WeakPolarHBondContact O-CD1 3.42Å; V313-Y316 VanDerWaalsContact O-CE1 3.31Å; V313-Y316 WeakPolarHBondContact O-CE1 3.42Å
314L96Very high96.1Very high20 Ų2043.2 Ų43.211%0.10523%0.234CC..Hα-helixtrans-79.2-20.4175.5-58178.8000112.1F4 H6 Q9 I11 R311 S312 H318F4-L314 HydrophobicContact CZ-CB 4.15Å; F4-L314 WeakPolarHBondContact CZ-O 3.23Å; H6-L314 HydrophobicContact CB-CB 4.29Å; H6-L314 HydrophobicContact CB-CD1 4.03Å; Q9-L314 HydrophobicContact CB-CD1 3.97Å; Q9-L314 HydrophobicContact CG-CD1 4.4Å; I11-L314 HydrophobicContact CG1-CD1 4.03Å; I11-L314 HydrophobicContact CG1-CG 4.37Å; R311-L314 WeakPolarHBondContact O-CB 3.4Å; R311-L314 PolarHBondContact O-N 3.04Å; S312-L314 PolarHBondContact O-N 3.05Å; L314-H318 PolarHBondContact O-CD2 3.16Å
315I95.8Very high96Very high2 Ų240.6 Ų40.61%0.0123%0.225CC..Hα-helixtrans-88.3-41.2-174.7-55.3-49.4000112.4F4 H6 I275 C277 Q281 A285 S312 V313 P317 H318 L319F4-I315 HydrophobicContact CE1-CD1 3.8Å; H6-I315 VanDerWaalsContact CD2-CD1 3.41Å; H6-I315 WeakPolarHBondContact CD2-CD1 3.43Å; I275-I315 HydrophobicContact CD1-CG2 4.2Å; C277-I315 HydrophobicContact CB-CD1 3.72Å; C277-I315 HydrophobicContact CB-CG1 3.89Å; C277-I315 HydrophobicContact CB-CG2 4.21Å; Q281-I315 HydrophobicContact CB-CG1 4.19Å; A285-I315 HydrophobicContact CB-CB 3.79Å; A285-I315 HydrophobicContact CB-CG2 3.79Å; S312-I315 PolarHBondContact O-N 2.73Å; V313-I315 VanDerWaalsContact C-N 3.35Å; I315-P317 VanDerWaalsContact C-N 3.29Å; I315-P317 VanDerWaalsContact O-N 3.13Å; I315-H318 WeakPolarHBondContact O-CA 3.49Å; I315-H318 WeakPolarHBondContact O-CB 3.27Å; I315-H318 PolarHBondContact O-N 3.37Å; I315-L319 HydrophobicContact CG2-CD2 4.38Å
316Y94.4Very high95.9Very high52 Ų5240.8 Ų40.820%0.20423%0.226CC..G310 helixtrans-55.3-33.4-172.490.8-92.7000115I14 A285 L288 S312 V313 H318 L319I14-Y316 HydrophobicContact CD1-CE1 3.71Å; I14-Y316 WeakPolarHBondContact CD1-OH 2.99Å; A285-Y316 WeakPolarHBondContact O-CB 3.3Å; L288-Y316 HydrophobicContact CB-CD1 4.24Å; L288-Y316 HydrophobicContact CB-CG 4.04Å; L288-Y316 HydrophobicContact CD1-CD1 4.34Å; S312-Y316 PolarHBondContact O-N 2.94Å; S312-Y316 VanDerWaalsContact O-N 3.16Å; V313-Y316 HydrophobicContact CG1-CE1 4.45Å; V313-Y316 WeakPolarHBondContact O-CD1 3.42Å; V313-Y316 VanDerWaalsContact O-CE1 3.31Å; V313-Y316 WeakPolarHBondContact O-CE1 3.42Å; Y316-H318 PolarHBondContact O-N 2.96Å; Y316-L319 PolarHBondContact O-N 3.35Å
317P93Very high95.8Very high79 Ų7940.8 Ų40.851%0.51323%0.226SC..G310 helixtrans-67.3-20176.1-2035.2000113.6I315I315-P317 VanDerWaalsContact C-N 3.29Å; I315-P317 VanDerWaalsContact O-N 3.13Å
318H92.8Very high95.6Very high82 Ų8239.9 Ų39.938%0.3822%0.224SC..G310 helixtrans-92.7-0.6179.8-61.4-68.4000113.4F4 L314 I315 Y316 T320 I323F4-H318 AromaticContact CD1-CD2 3.85Å; F4-H318 AromaticContact CD2-CE1 3.82Å; F4-H318 AromaticContact CD2-NE2 3.47Å; F4-H318 WeakPolarHBondContact CD2-NE2 3.48Å; F4-H318 AromaticContact CE1-CD2 3.44Å; F4-H318 VanDerWaalsContact CE1-CD2 3.44Å; F4-H318 WeakPolarHBondContact CE1-CD2 3.09Å; F4-H318 AromaticContact CE1-NE2 3.75Å; F4-H318 AromaticContact CE2-CD2 3.73Å; F4-H318 AromaticContact CE2-CE1 3.87Å; F4-H318 AromaticContact CE2-NE2 3.09Å; F4-H318 WeakPolarHBondContact CE2-NE2 3.3Å; F4-H318 AromaticContact CG-NE2 3.97Å; F4-H318 AromaticContact CZ-CD2 3.38Å; F4-H318 WeakPolarHBondContact CZ-CD2 3.47Å; F4-H318 AromaticContact CZ-NE2 3.23Å; F4-H318 WeakPolarHBondContact CZ-NE2 3.36Å; L314-H318 PolarHBondContact O-CD2 3.16Å; I315-H318 WeakPolarHBondContact O-CA 3.49Å; I315-H318 WeakPolarHBondContact O-CB 3.27Å; I315-H318 PolarHBondContact O-N 3.37Å; Y316-H318 PolarHBondContact O-N 2.96Å; H318-T320 VanDerWaalsContact C-N 3.27Å; H318-T320 PolarHBondContact O-N 3.28Å; H318-I323 WeakPolarHBondContact O-CD1 3.29Å
319L95.2Very high95.4Very high18 Ų1840.9 Ų40.99%0.09423%0.234CC..  trans-74.882.7173.2-60.6-176.7000110.1I275 L282 A285 W286 I315 Y316 I323 I324I275-L319 HydrophobicContact CD1-CD2 3.84Å; L282-L319 HydrophobicContact CD1-CD2 3.65Å; A285-L319 HydrophobicContact CB-CD1 3.99Å; W286-L319 HydrophobicContact CB-CD1 4.34Å; I315-L319 HydrophobicContact CG2-CD2 4.38Å; Y316-L319 PolarHBondContact O-N 3.35Å; L319-I323 HydrophobicContact CD2-CG2 4.1Å; L319-I324 HydrophobicContact CB-CD1 3.87Å; L319-I324 HydrophobicContact CB-CG1 4.37Å; L319-I324 HydrophobicContact CD1-CD1 4.26Å
320T95.2Very high95.1Very high50 Ų5042.2 Ų42.231%0.30724%0.241SC..  trans-63.1158.417970.10000111.5H318 S322 I323 I324H318-T320 VanDerWaalsContact C-N 3.27Å; H318-T320 PolarHBondContact O-N 3.28Å; T320-S322 PolarHBondContact O-N 3.19Å; T320-S322 VanDerWaalsContact O-N 3.13Å; T320-I323 HydrophobicContact CG2-CD1 4.26Å; T320-I323 PolarHBondContact O-N 2.88Å; T320-I323 WeakPolarHBondContact OG1-CD1 3.48Å; T320-I323 PolarHBondContact OG1-N 2.69Å; T320-I324 WeakPolarHBondContact O-CG1 3.36Å; T320-I324 PolarHBondContact O-N 2.72Å
321P95.2Very high94.5Very high116 Ų11642.8 Ų42.875%0.75324%0.244SC*.Hα-helixtrans-53.1-34.8174.9-28.436000113.7I324 S325P321-I324 PolarHBondContact O-N 3.49Å; P321-S325 WeakPolarHBondContact O-CB 3.36Å; P321-S325 PolarHBondContact O-N 3.26Å
322S96.1Very high93.7Very high83 Ų8344.5 Ų44.558%0.5826%0.26SS*.Hα-helixtrans-65.2-44.8175.8171.30000112.2T320 I324 S325 E326T320-S322 PolarHBondContact O-N 3.19Å; T320-S322 VanDerWaalsContact O-N 3.13Å; S322-I324 VanDerWaalsContact C-N 3.34Å; S322-S325 PolarHBondContact O-N 3.23Å; S322-E326 WeakPolarHBondContact O-CB 3.45Å; S322-E326 PolarHBondContact O-N 3.47Å
323I95.9Very high91.8Very high12 Ų1248.8 Ų48.86%0.06229%0.286CS..Hα-helixtrans-63.2-44175.9-66.9158.1000110I271 I275 H318 L319 T320 S325 E326 L327I271-I323 HydrophobicContact CG2-CG2 4.31Å; I275-I323 HydrophobicContact CG2-CD1 3.57Å; I275-I323 HydrophobicContact CG2-CG1 4.24Å; H318-I323 WeakPolarHBondContact O-CD1 3.29Å; L319-I323 HydrophobicContact CD2-CG2 4.1Å; T320-I323 HydrophobicContact CG2-CD1 4.26Å; T320-I323 PolarHBondContact O-N 2.88Å; T320-I323 WeakPolarHBondContact OG1-CD1 3.48Å; T320-I323 PolarHBondContact OG1-N 2.69Å; I323-S325 PolarHBondContact O-N 3.13Å; I323-E326 WeakPolarHBondContact O-CB 3.38Å; I323-E326 PolarHBondContact O-N 2.97Å; I323-L327 HydrophobicContact CG2-CD1 4.18Å; I323-L327 HydrophobicContact CG2-CG 4.38Å; I323-L327 VanDerWaalsContact O-CG 3.3Å; I323-L327 WeakPolarHBondContact O-CG 3.45Å; I323-L327 PolarHBondContact O-N 3.43Å
324I95Very high89.6Confident19 Ų1950.6 Ų50.610%0.09730%0.297CS..Hα-helixtrans-60.7-45.4178.4-64.6-53.6000111.4R289 L319 T320 P321 S322 E326 L327 D328R289-I324 VanDerWaalsContact CD-CD1 3.42Å; L319-I324 HydrophobicContact CB-CD1 3.87Å; L319-I324 HydrophobicContact CB-CG1 4.37Å; L319-I324 HydrophobicContact CD1-CD1 4.26Å; T320-I324 WeakPolarHBondContact O-CG1 3.36Å; T320-I324 PolarHBondContact O-N 2.72Å; P321-I324 PolarHBondContact O-N 3.49Å; S322-I324 VanDerWaalsContact C-N 3.34Å; I324-E326 VanDerWaalsContact C-N 3.29Å; I324-E326 PolarHBondContact O-N 3.15Å; I324-L327 HydrophobicContact CD1-CD1 4.2Å; I324-L327 PolarHBondContact O-N 3.18Å; I324-D328 PolarHBondContact O-N 2.72Å
325S95.1Very high87.2Confident70 Ų7054.6 Ų54.649%0.4932%0.319SS..Hα-helixtrans-59.6-42.2176.1-171.90000111.6P321 S322 I323 D328 T329P321-S325 WeakPolarHBondContact O-CB 3.36Å; P321-S325 PolarHBondContact O-N 3.26Å; S322-S325 PolarHBondContact O-N 3.23Å; I323-S325 PolarHBondContact O-N 3.13Å; S325-D328 PolarHBondContact O-N 3.34Å; S325-T329 PolarHBondContact O-N 3.44Å; S325-T329 PolarHBondContact O-OG1 3.46Å
326E95.3Very high84.4Confident62 Ų6258.6 Ų58.629%0.2935%0.347SS..Hα-helixtrans-62.3-43.4177.4-171177.8177.900111.7I271 R274 S322 I323 I324 L330I271-E326 HydrophobicContact CD1-CG 3.89Å; I271-E326 HydrophobicContact CG1-CG 4.49Å; R274-E326 IonicContact CZ-OE1 3.72Å; R274-E326 IonicContact CZ-OE2 3.33Å; R274-E326 IonicContact NH1-OE1 2.67Å; R274-E326 PolarHBondContact NH1-OE1 2.79Å; R274-E326 IonicContact NH1-OE2 3Å; R274-E326 PolarHBondContact NH1-OE2 2.98Å; R274-E326 IonicContact NH2-OE1 3.95Å; R274-E326 IonicContact NH2-OE2 2.82Å; R274-E326 PolarHBondContact NH2-OE2 3.49Å; S322-E326 WeakPolarHBondContact O-CB 3.45Å; S322-E326 PolarHBondContact O-N 3.47Å; I323-E326 WeakPolarHBondContact O-CB 3.38Å; I323-E326 PolarHBondContact O-N 2.97Å; I324-E326 VanDerWaalsContact C-N 3.29Å; I324-E326 PolarHBondContact O-N 3.15Å; E326-L330 WeakPolarHBondContact O-CB 3.33Å; E326-L330 PolarHBondContact O-N 3.14Å; E326-L330 VanDerWaalsContact O-N 3.09Å
327L95.2Very high81.6Confident0 Ų062.9 Ų62.90%037%0.374CS..Hα-helixtrans-62.2-44.2174.4-65172.9000111.7L268 I271 L282 I323 I324 L330 L331L268-L327 HydrophobicContact CD2-CD2 3.38Å; I271-L327 HydrophobicContact CD1-CD2 3.95Å; I271-L327 HydrophobicContact CG2-CD2 4.14Å; L282-L327 HydrophobicContact CD1-CD1 4.17Å; L282-L327 HydrophobicContact CD2-CD2 4.05Å; I323-L327 HydrophobicContact CG2-CD1 4.18Å; I323-L327 HydrophobicContact CG2-CG 4.38Å; I323-L327 VanDerWaalsContact O-CG 3.3Å; I323-L327 WeakPolarHBondContact O-CG 3.45Å; I323-L327 PolarHBondContact O-N 3.43Å; I324-L327 HydrophobicContact CD1-CD1 4.2Å; I324-L327 PolarHBondContact O-N 3.18Å; L327-L330 PolarHBondContact O-N 3.5Å; L327-L331 WeakPolarHBondContact O-CB 3.38Å; L327-L331 VanDerWaalsContact O-CD1 3.27Å; L327-L331 WeakPolarHBondContact O-CD1 2.78Å; L327-L331 WeakPolarHBondContact O-CG 3.36Å; L327-L331 PolarHBondContact O-N 3.38Å
328D92Very high78.7Confident53 Ų5365.3 Ų65.328%0.28338%0.382SS..Hα-helixtrans-64.6-44.8-179.2-74.2-31.4000110.9K199 I324 S325 L330 L331 T332K199-D328 IonicContact NZ-OD1 3.79Å; K199-D328 PolarHBondContact NZ-OD1 3.45Å; I324-D328 PolarHBondContact O-N 2.72Å; S325-D328 PolarHBondContact O-N 3.34Å; D328-L330 PolarHBondContact O-N 2.83Å; D328-L331 PolarHBondContact O-N 2.76Å; D328-L331 VanDerWaalsContact O-N 3.15Å; D328-T332 PolarHBondContact O-N 2.75Å; D328-T332 PolarHBondContact O-OG1 2.79Å
329T93Very high75.6Confident83 Ų8367.8 Ų67.851%0.50940%0.398SS..Hα-helixtrans-58.9-44.4175.9-58.90000112.9S325 L331 T332 T333S325-T329 PolarHBondContact O-N 3.44Å; S325-T329 PolarHBondContact O-OG1 3.46Å; T329-L331 PolarHBondContact O-N 3.18Å; T329-T332 PolarHBondContact O-OG1 2.98Å; T329-T333 PolarHBondContact O-N 3.18Å; T329-T333 PolarHBondContact O-OG1 2.91Å
330L92.2Very high72.4Confident32 Ų3276.7 Ų76.717%0.16844%0.436CS..Hα-helixtrans-61.8-32.1178.5176.363000112.5Q264 Q267 L268 I271 E326 L327 D328 T333Q264-L330 PolarHBondContact NE2-O 3.18Å; Q267-L330 HydrophobicContact CB-CD1 3.68Å; Q267-L330 HydrophobicContact CB-CD2 3.73Å; Q267-L330 HydrophobicContact CB-CG 4.37Å; Q267-L330 HydrophobicContact CG-CD1 4.05Å; L268-L330 HydrophobicContact CD2-CD2 3.68Å; L268-L330 HydrophobicContact CG-CD2 3.81Å; I271-L330 HydrophobicContact CD1-CD2 3.97Å; E326-L330 WeakPolarHBondContact O-CB 3.33Å; E326-L330 PolarHBondContact O-N 3.14Å; E326-L330 VanDerWaalsContact O-N 3.09Å; L327-L330 PolarHBondContact O-N 3.5Å; D328-L330 PolarHBondContact O-N 2.83Å; L330-T333 PolarHBondContact O-OG1 2.68Å
331L86.3Confident69.3Low11 Ų1186.2 Ų86.26%0.05848%0.484CS..Hα-helixtrans-93.5-24.5-173.6-65.9166.4000112.8L196 L197 L327 D328 T329L196-L331 HydrophobicContact CB-CD1 4Å; L196-L331 HydrophobicContact CD2-CD1 3.68Å; L196-L331 HydrophobicContact CG-CD1 4.43Å; L196-L331 WeakPolarHBondContact O-CD1 3.27Å; L197-L331 HydrophobicContact CD2-CD2 3.85Å; L327-L331 WeakPolarHBondContact O-CB 3.38Å; L327-L331 VanDerWaalsContact O-CD1 3.27Å; L327-L331 WeakPolarHBondContact O-CD1 2.78Å; L327-L331 WeakPolarHBondContact O-CG 3.36Å; L327-L331 PolarHBondContact O-N 3.38Å; D328-L331 PolarHBondContact O-N 2.76Å; D328-L331 VanDerWaalsContact O-N 3.15Å; T329-L331 PolarHBondContact O-N 3.18Å
332T79.1Confident68Low85 Ų8584.8 Ų84.852%0.52147%0.471SS..Hα-helixtrans-78.5-23.3174.939.20000114.2D328 T329 T334 D335D328-T332 PolarHBondContact O-N 2.75Å; D328-T332 PolarHBondContact O-OG1 2.79Å; T329-T332 PolarHBondContact O-OG1 2.98Å; T332-T334 PolarHBondContact O-N 3.12Å; T332-D335 PolarHBondContact O-N 2.74Å
333T58Low66.5Low90 Ų9084.8 Ų84.855%0.55247%0.465SS*.THydrogen-bonded Turntrans-67.2-8.4-168.6130000114.8T329 L330T329-T333 PolarHBondContact O-N 3.18Å; T329-T333 PolarHBondContact O-OG1 2.91Å; L330-T333 PolarHBondContact O-OG1 2.68Å
334T50.9Low64.9Low44 Ų4488.9 Ų88.927%0.2749%0.488SS..THydrogen-bonded Turntrans-113.4-22.6-177.950.80000114.7Q264 T332 S336 N337Q264-T334 PolarHBondContact NE2-OG1 3.18Å; T332-T334 PolarHBondContact O-N 3.12Å; T334-S336 PolarHBondContact O-N 3.43Å; T334-N337 PolarHBondContact O-N 2.91Å
335D46.5Very low63.1Low104 Ų10493 Ų9356%0.55651%0.51SS*.G310 helixtrans-69.6-20.1-179.4-77.1-16.1000112.1T332 N337T332-D335 PolarHBondContact O-N 2.74Å; D335-N337 PolarHBondContact O-N 3.03Å
336S36.9Very low61.1Low86 Ų8694.4 Ų94.460%0.60151%0.512SS*.G310 helixtrans-70.9-5.117835.60000115.2T334T334-S336 PolarHBondContact O-N 3.43Å
337N34.9Very low58.8Low142 Ų14296.6 Ų96.676%0.75953%0.527SS*.G310 helixtrans-97.3-6.1179.2-77.8-8.8000115.1T334 D335T334-N337 PolarHBondContact O-N 2.91Å; D335-N337 PolarHBondContact O-N 3.03Å
338D32.6Very low56.2Low129 Ų129103.5 Ų103.569%0.6956%0.564SS**SBendtrans-117.19.6-177.2-80-19.9000114.4
339N27.3Very low53.4Low135 Ų135107.4 Ų107.472%0.72259%0.586SS**  trans-102.565.2176.5-78.6-27000112.2
340F27.1Very low50.1Low204 Ų204109.4 Ų109.490%0.89559%0.592SS**  trans-152.899.1155-89.7-79000108.1
341L30.1Very low46.3Very low251 Ų251116.5 Ų116.5100%1.31463%0.631SS**  trans-161.90146.7-102.1165.7000109.4

Retrieved 341 of 341 residues in 72.9 ms (Link to these results)

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